G4V8T3_SCHMA Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession G4V8T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 363 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
1M60.9Low69.5Low183 Ų183140.6 Ų140.690%0.90166%0.66SS**  0-37.10-88.4170.861.200114.4K3 Q4 K5M1-K3 PolarHBondContact O-N 3.34Å; M1-Q4 PolarHBondContact O-N 3.46Å; M1-K5 PolarHBondContact O-N 2.9Å
2E68.8Low69.8Low173 Ų173136.5 Ų136.581%0.80864%0.638SS**Hα-helixtrans-60.2-42.1-177-79.4-179.7134.900115.3Q4 K5 S6E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.37Å; E2-K5 PolarHBondContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 2.78Å
3K67.1Low69.9Low194 Ų194130.8 Ų130.884%0.84362%0.618SS**Hα-helixtrans-58.1-38.3178.9-80.1-175.4177.6178.10113.5M1 N7M1-K3 PolarHBondContact O-N 3.34Å; K3-N7 WeakPolarHBondContact O-CB 3.39Å; K3-N7 PolarHBondContact O-N 3.11Å; K3-N7 VanDerWaalsContact O-N 3.09Å
4Q68.1Low69.5Low157 Ų157133.1 Ų133.173%0.73462%0.619SS**Hα-helixtrans-70.6-40.6177.8-84.6-179.7-22.900112.2M1 E2 N7 Y8M1-Q4 PolarHBondContact O-N 3.46Å; E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.37Å; Q4-N7 PolarHBondContact O-N 3.05Å; Q4-Y8 WeakPolarHBondContact O-CB 3.48Å; Q4-Y8 PolarHBondContact O-N 2.92Å
5K69.5Low69.6Low147 Ų147136.7 Ų136.764%0.63963%0.625SS**Hα-helixtrans-62.1-44.5174.9-74.1-174.5176.8-179.20111.2M1 E2 Y8 F9M1-K5 PolarHBondContact O-N 2.9Å; E2-K5 PolarHBondContact O-N 3.09Å; K5-Y8 PolarHBondContact O-N 3.17Å; K5-F9 WeakPolarHBondContact O-CB 3.29Å; K5-F9 PolarHBondContact O-N 3.12Å
6S69.1Low69.7Low69 Ų69137.9 Ų137.948%0.48362%0.623SS.*Hα-helixtrans-60.7-46177177.30000112.4E2 Y8 F9 N10E2-S6 PolarHBondContact O-N 2.78Å; S6-Y8 PolarHBondContact O-N 3.47Å; S6-F9 PolarHBondContact O-N 3.05Å; S6-N10 PolarHBondContact O-N 2.78Å
7N73.1Confident69.4Low99 Ų99136.3 Ų136.353%0.52962%0.616SS.*Hα-helixtrans-68.1-38.2-179.4-148.4-8000112.7K3 Q4 K11K3-N7 WeakPolarHBondContact O-CB 3.39Å; K3-N7 PolarHBondContact O-N 3.11Å; K3-N7 VanDerWaalsContact O-N 3.09Å; Q4-N7 PolarHBondContact O-N 3.05Å; N7-K11 PolarHBondContact O-N 3.35Å
8Y72.5Confident69.6Low160 Ų160135.7 Ų135.763%0.62761%0.612SS**Hα-helixtrans-64.7-42.7172.9179.9-103.4000112.1Q4 K5 S6 K11 K12Q4-Y8 WeakPolarHBondContact O-CB 3.48Å; Q4-Y8 PolarHBondContact O-N 2.92Å; K5-Y8 PolarHBondContact O-N 3.17Å; S6-Y8 PolarHBondContact O-N 3.47Å; Y8-K11 PolarHBondContact O-N 2.92Å; Y8-K12 HydrophobicContact CE1-CD 4.41Å; Y8-K12 WeakPolarHBondContact O-CB 3.31Å; Y8-K12 PolarHBondContact O-N 3.03Å
9F70.5Confident70Confident137 Ų137132.1 Ų132.160%0.60161%0.605SS**Hα-helixtrans-61.5-47.9176.3-169.6-95.8000111.2K5 S6 K11 K12 V13K5-F9 WeakPolarHBondContact O-CB 3.29Å; K5-F9 PolarHBondContact O-N 3.12Å; S6-F9 PolarHBondContact O-N 3.05Å; F9-K11 PolarHBondContact O-N 3.12Å; F9-K12 PolarHBondContact O-N 2.89Å; F9-K12 VanDerWaalsContact O-N 3.16Å; F9-V13 HydrophobicContact CD1-CG2 3.9Å; F9-V13 HydrophobicContact CE1-CG2 3.63Å; F9-V13 HydrophobicContact CZ-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.27Å; F9-V13 PolarHBondContact O-N 2.79Å
10N72.5Confident70.5Confident97 Ų97135.2 Ų135.252%0.51961%0.612SS.*Hα-helixtrans-59.8-42.9176.2-78.1-17.8000112.6S6 K12 V13 Y14S6-N10 PolarHBondContact O-N 2.78Å; N10-K12 PolarHBondContact O-N 3.35Å; N10-V13 PolarHBondContact O-N 3.49Å; N10-Y14 VanDerWaalsContact O-CB 3.31Å; N10-Y14 WeakPolarHBondContact O-CB 3.48Å; N10-Y14 PolarHBondContact O-N 3.23Å
11K72.1Confident71.1Confident131 Ų131134.5 Ų134.557%0.5761%0.608SS**Hα-helixtrans-62.8-40.7174.2-79.9-175.3-179.9-179.50112.6N7 Y8 F9 R15N7-K11 PolarHBondContact O-N 3.35Å; Y8-K11 PolarHBondContact O-N 2.92Å; F9-K11 PolarHBondContact O-N 3.12Å; K11-R15 WeakPolarHBondContact O-CB 3.32Å; K11-R15 WeakPolarHBondContact O-CG 3.23Å; K11-R15 PolarHBondContact O-N 2.82Å
12K73Confident72.2Confident91 Ų91134.8 Ų134.840%0.39660%0.598SS.*Hα-helixtrans-68.3-41.4178.6-168.6174.3-177.3175.90111.5Y8 F9 N10 R16Y8-K12 HydrophobicContact CE1-CD 4.41Å; Y8-K12 WeakPolarHBondContact O-CB 3.31Å; Y8-K12 PolarHBondContact O-N 3.03Å; F9-K12 PolarHBondContact O-N 2.89Å; F9-K12 VanDerWaalsContact O-N 3.16Å; N10-K12 PolarHBondContact O-N 3.35Å; K12-R16 WeakPolarHBondContact O-CB 3.35Å; K12-R16 VanDerWaalsContact O-CG 3.31Å; K12-R16 WeakPolarHBondContact O-CG 3.49Å; K12-R16 PolarHBondContact O-N 3.06Å
13V71.7Confident73Confident63 Ų63130 Ų13038%0.38258%0.581SS.*Hα-helixtrans-62.7-48.4173.5173.40000110.3F9 N10 R15 R16 H17F9-V13 HydrophobicContact CD1-CG2 3.9Å; F9-V13 HydrophobicContact CE1-CG2 3.63Å; F9-V13 HydrophobicContact CZ-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.27Å; F9-V13 PolarHBondContact O-N 2.79Å; N10-V13 PolarHBondContact O-N 3.49Å; V13-R15 PolarHBondContact O-N 3.01Å; V13-R16 PolarHBondContact O-N 3.1Å; V13-H17 WeakPolarHBondContact O-CB 3.26Å; V13-H17 PolarHBondContact O-N 3.42Å
14Y64.6Low74Confident163 Ų163126.6 Ų126.664%0.63957%0.571SS**Hα-helixtrans-60.5-46177.4-174.8-92.1000112.4N10 R16 H17 F18N10-Y14 VanDerWaalsContact O-CB 3.31Å; N10-Y14 WeakPolarHBondContact O-CB 3.48Å; N10-Y14 PolarHBondContact O-N 3.23Å; Y14-R16 PolarHBondContact O-N 3.24Å; Y14-H17 PolarHBondContact O-N 3.23Å; Y14-F18 WeakPolarHBondContact O-CB 3.47Å; Y14-F18 PolarHBondContact O-N 3.19Å
15R71.1Confident75.1Confident187 Ų187124.2 Ų124.271%0.70656%0.56SS**Hα-helixtrans-61-43175.2-78.2-178.3177.7-178.9-1112.4K11 V13 H17 F18 S19K11-R15 WeakPolarHBondContact O-CB 3.32Å; K11-R15 WeakPolarHBondContact O-CG 3.23Å; K11-R15 PolarHBondContact O-N 2.82Å; V13-R15 PolarHBondContact O-N 3.01Å; R15-H17 VanDerWaalsContact C-N 3.33Å; R15-F18 PolarHBondContact O-N 3.44Å; R15-S19 VanDerWaalsContact O-CB 3.25Å; R15-S19 WeakPolarHBondContact O-CB 3.41Å; R15-S19 PolarHBondContact O-N 3.11Å
16R70.5Confident76.1Confident155 Ų155124 Ų12459%0.58556%0.559SS**Hα-helixtrans-62-42.1174.2-78.4176.9171.3-178.6-5.3111.1K12 V13 Y14 R20K12-R16 WeakPolarHBondContact O-CB 3.35Å; K12-R16 VanDerWaalsContact O-CG 3.31Å; K12-R16 WeakPolarHBondContact O-CG 3.49Å; K12-R16 PolarHBondContact O-N 3.06Å; V13-R16 PolarHBondContact O-N 3.1Å; Y14-R16 PolarHBondContact O-N 3.24Å; R16-R20 WeakPolarHBondContact O-CB 3.45Å; R16-R20 WeakPolarHBondContact O-CG 3.22Å; R16-R20 PolarHBondContact O-N 3.16Å
17H64.8Low77.2Confident111 Ų111126.2 Ų126.251%0.51456%0.564SS.*Hα-helixtrans-69.2-39.1179.6-151.6-43.4000112.4V13 Y14 R15 K21V13-H17 WeakPolarHBondContact O-CB 3.26Å; V13-H17 PolarHBondContact O-N 3.42Å; Y14-H17 PolarHBondContact O-N 3.23Å; R15-H17 VanDerWaalsContact C-N 3.33Å; H17-K21 WeakPolarHBondContact O-CG 3.38Å; H17-K21 PolarHBondContact O-N 3.47Å
18F73.4Confident78.1Confident125 Ų125127.2 Ų127.255%0.54856%0.564SS.*Hα-helixtrans-68.6-44.8175.6-173.1-96.1000111.8Y14 R15 K21 R22Y14-F18 WeakPolarHBondContact O-CB 3.47Å; Y14-F18 PolarHBondContact O-N 3.19Å; R15-F18 PolarHBondContact O-N 3.44Å; F18-K21 PolarHBondContact O-N 3.31Å; F18-R22 PolarHBondContact O-N 3.25Å
19S77.6Confident79.1Confident68 Ų68125.5 Ų125.548%0.47656%0.56SS.*Hα-helixtrans-60.2-48.6174.5179.80000111.4R15 K21 R22 T23R15-S19 VanDerWaalsContact O-CB 3.25Å; R15-S19 WeakPolarHBondContact O-CB 3.41Å; R15-S19 PolarHBondContact O-N 3.11Å; S19-K21 VanDerWaalsContact C-N 3.33Å; S19-K21 PolarHBondContact O-N 3.24Å; S19-R22 PolarHBondContact O-N 3.39Å; S19-R22 VanDerWaalsContact O-N 3.11Å; S19-T23 PolarHBondContact O-N 3.33Å; S19-T23 PolarHBondContact O-OG1 3.43Å; S19-T23 VanDerWaalsContact O-OG1 3.11Å
20R79.6Confident80.2Confident194 Ų194124.9 Ų124.973%0.73256%0.557SS**Hα-helixtrans-56.7-43.4173.8-78.7179.8175.8176.8-2.9112.4R16 T23 L24R16-R20 WeakPolarHBondContact O-CB 3.45Å; R16-R20 WeakPolarHBondContact O-CG 3.22Å; R16-R20 PolarHBondContact O-N 3.16Å; R20-T23 PolarHBondContact O-N 2.99Å; R20-L24 VanDerWaalsContact O-CB 3.3Å; R20-L24 WeakPolarHBondContact O-CB 3.45Å; R20-L24 PolarHBondContact O-N 3.36Å
21K81.7Confident81.3Confident121 Ų121123.7 Ų123.753%0.52655%0.553SS.*Hα-helixtrans-61.1-43.4175.2-80.6-174.8178.3-171.90111.8H17 F18 S19 L24 H25H17-K21 WeakPolarHBondContact O-CG 3.38Å; H17-K21 PolarHBondContact O-N 3.47Å; F18-K21 PolarHBondContact O-N 3.31Å; S19-K21 VanDerWaalsContact C-N 3.33Å; S19-K21 PolarHBondContact O-N 3.24Å; K21-L24 PolarHBondContact O-N 3.17Å; K21-H25 PolarHBondContact O-N 2.93Å; K21-H25 PolarHBondContact O-ND1 2.81Å
22R85.1Confident82.3Confident188 Ų188121.7 Ų121.771%0.70955%0.548SS*.Hα-helixtrans-66-43.4177.9-174178.4176.2179.2-0.6112.1F18 S19 L24 H25 F26F18-R22 PolarHBondContact O-N 3.25Å; S19-R22 PolarHBondContact O-N 3.39Å; S19-R22 VanDerWaalsContact O-N 3.11Å; R22-L24 VanDerWaalsContact C-N 3.33Å; R22-H25 PolarHBondContact O-N 2.91Å; R22-F26 WeakPolarHBondContact O-CB 3.3Å; R22-F26 PolarHBondContact O-N 3.27Å
23T86.6Confident83.3Confident74 Ų74120.5 Ų120.545%0.45455%0.551SS.*Hα-helixtrans-61.5-43.3174.3-54.40000110.9S19 R20 F26 M27S19-T23 PolarHBondContact O-N 3.33Å; S19-T23 PolarHBondContact O-OG1 3.43Å; S19-T23 VanDerWaalsContact O-OG1 3.11Å; R20-T23 PolarHBondContact O-N 2.99Å; T23-F26 PolarHBondContact O-N 3.03Å; T23-M27 HydrophobicContact CG2-CG 4.49Å; T23-M27 HydrophobicContact CG2-SD 4.33Å; T23-M27 WeakPolarHBondContact O-CG 3.34Å; T23-M27 PolarHBondContact O-N 3.4Å
24L87.9Confident84.5Confident121 Ų121120.6 Ų120.663%0.63455%0.552SS**Hα-helixtrans-63.7-41.9177.2-165.872.7000112R20 K21 R22 M27 F28R20-L24 VanDerWaalsContact O-CB 3.3Å; R20-L24 WeakPolarHBondContact O-CB 3.45Å; R20-L24 PolarHBondContact O-N 3.36Å; K21-L24 PolarHBondContact O-N 3.17Å; R22-L24 VanDerWaalsContact C-N 3.33Å; L24-M27 PolarHBondContact O-N 3.35Å; L24-F28 VanDerWaalsContact O-CB 3.28Å; L24-F28 WeakPolarHBondContact O-CB 3.39Å; L24-F28 PolarHBondContact O-N 2.97Å
25H89.6Confident85.9Confident107 Ų107117.7 Ų117.750%0.49555%0.546SS..Hα-helixtrans-62.9-45.1173.2-80.272.7000111.4K21 R22 M27 F28 F29K21-H25 PolarHBondContact O-N 2.93Å; K21-H25 PolarHBondContact O-ND1 2.81Å; R22-H25 PolarHBondContact O-N 2.91Å; H25-M27 PolarHBondContact O-N 3.21Å; H25-F28 WeakPolarHBondContact O-CB 3.49Å; H25-F28 PolarHBondContact O-N 3.28Å; H25-F29 HydrophobicContact CB-CD2 4.31Å; H25-F29 HydrophobicContact CB-CE2 4.27Å; H25-F29 WeakPolarHBondContact O-CD2 3.13Å; H25-F29 PolarHBondContact O-N 3.2Å
26F91.8Very high87Confident142 Ų142115.2 Ų115.262%0.62354%0.541SS*.Hα-helixtrans-60.8-46.4177.7179.3-95.6000111.6R22 T23 F28 F29 F30R22-F26 WeakPolarHBondContact O-CB 3.3Å; R22-F26 PolarHBondContact O-N 3.27Å; T23-F26 PolarHBondContact O-N 3.03Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 3.03Å; F26-F29 PolarHBondContact O-N 3.42Å; F26-F30 WeakPolarHBondContact O-CB 3.4Å; F26-F30 PolarHBondContact O-N 3.31Å
27M91.3Very high88.2Confident116 Ų116111.4 Ų111.457%0.57154%0.535SS*.Hα-helixtrans-59.9-44175-69.9-176.385.300110.9T23 L24 H25 F30 T31T23-M27 HydrophobicContact CG2-CG 4.49Å; T23-M27 HydrophobicContact CG2-SD 4.33Å; T23-M27 WeakPolarHBondContact O-CG 3.34Å; T23-M27 PolarHBondContact O-N 3.4Å; L24-M27 PolarHBondContact O-N 3.35Å; H25-M27 PolarHBondContact O-N 3.21Å; M27-F30 PolarHBondContact O-N 3.14Å; M27-T31 WeakPolarHBondContact O-CB 3.47Å; M27-T31 VanDerWaalsContact O-CG2 3.32Å; M27-T31 WeakPolarHBondContact O-CG2 3.34Å; M27-T31 PolarHBondContact O-N 2.87Å; M27-T31 PolarHBondContact O-OG1 3.34Å
28F93.1Very high89.5Confident121 Ų121112.2 Ų112.253%0.53154%0.54SS..Hα-helixtrans-60.4-49.9176.9177.1-98.1000112.7L24 H25 F26 F30 T31 L32L24-F28 VanDerWaalsContact O-CB 3.28Å; L24-F28 WeakPolarHBondContact O-CB 3.39Å; L24-F28 PolarHBondContact O-N 2.97Å; H25-F28 WeakPolarHBondContact O-CB 3.49Å; H25-F28 PolarHBondContact O-N 3.28Å; F26-F28 VanDerWaalsContact C-N 3.32Å; F26-F28 PolarHBondContact O-N 3.03Å; F28-F30 PolarHBondContact O-N 3.04Å; F28-T31 WeakPolarHBondContact CA-OG1 3.1Å; F28-T31 PolarHBondContact O-N 3Å; F28-T31 PolarHBondContact O-OG1 3.4Å; F28-L32 WeakPolarHBondContact O-CB 3.06Å; F28-L32 PolarHBondContact O-N 3.19Å
29F93.1Very high90.3Very high124 Ų124109.4 Ų109.454%0.54453%0.533SS..Hα-helixtrans-66.1-37.3177.6-75.7-65.4000112.3H25 F26 L32 S33H25-F29 HydrophobicContact CB-CD2 4.31Å; H25-F29 HydrophobicContact CB-CE2 4.27Å; H25-F29 WeakPolarHBondContact O-CD2 3.13Å; H25-F29 PolarHBondContact O-N 3.2Å; F26-F29 PolarHBondContact O-N 3.42Å; F29-L32 PolarHBondContact O-N 3.11Å; F29-S33 WeakPolarHBondContact O-CB 3.13Å; F29-S33 PolarHBondContact O-N 3.09Å
30F94Very high91Very high124 Ų124108.5 Ų108.554%0.54453%0.525SS..Hα-helixtrans-63.2-47.9174.4-179.9-99.1000110.9F26 M27 F28 L32 S33 V34F26-F30 WeakPolarHBondContact O-CB 3.4Å; F26-F30 PolarHBondContact O-N 3.31Å; M27-F30 PolarHBondContact O-N 3.14Å; F28-F30 PolarHBondContact O-N 3.04Å; F30-L32 VanDerWaalsContact C-N 3.31Å; F30-L32 PolarHBondContact O-N 3.1Å; F30-S33 WeakPolarHBondContact O-CB 3.04Å; F30-S33 PolarHBondContact O-N 3.49Å; F30-V34 HydrophobicContact CD1-CG2 4.31Å; F30-V34 HydrophobicContact CE1-CG2 3.93Å; F30-V34 HydrophobicContact CE2-CG2 4.43Å; F30-V34 HydrophobicContact CZ-CG2 4Å; F30-V34 WeakPolarHBondContact O-CG2 3.28Å; F30-V34 PolarHBondContact O-N 3.46Å
31T94.1Very high91.5Very high71 Ų71102.5 Ų102.544%0.43651%0.513SS..Hα-helixtrans-61.2-40.3175.451.10000112M27 F28 V34 I35M27-T31 WeakPolarHBondContact O-CB 3.47Å; M27-T31 VanDerWaalsContact O-CG2 3.32Å; M27-T31 WeakPolarHBondContact O-CG2 3.34Å; M27-T31 PolarHBondContact O-N 2.87Å; M27-T31 PolarHBondContact O-OG1 3.34Å; F28-T31 WeakPolarHBondContact CA-OG1 3.1Å; F28-T31 PolarHBondContact O-N 3Å; F28-T31 PolarHBondContact O-OG1 3.4Å; T31-V34 PolarHBondContact O-N 3.22Å; T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.39Å; T31-I35 PolarHBondContact O-N 3.35Å
32L94.7Very high91.8Very high90 Ų90101.3 Ų101.347%0.47151%0.506SS..Hα-helixtrans-65.2-40.7177.4-172.566000111.4F28 F29 F30 I35 F36F28-L32 WeakPolarHBondContact O-CB 3.06Å; F28-L32 PolarHBondContact O-N 3.19Å; F29-L32 PolarHBondContact O-N 3.11Å; F30-L32 VanDerWaalsContact C-N 3.31Å; F30-L32 PolarHBondContact O-N 3.1Å; L32-I35 PolarHBondContact O-N 2.77Å; L32-F36 WeakPolarHBondContact O-CB 3.41Å; L32-F36 PolarHBondContact O-N 3.36Å
33S94.2Very high92Very high65 Ų6597 Ų9746%0.45550%0.496SS..Hα-helixtrans-62.8-43.4174.3-1760000111.8F29 F30 F36 V37F29-S33 WeakPolarHBondContact O-CB 3.13Å; F29-S33 PolarHBondContact O-N 3.09Å; F30-S33 WeakPolarHBondContact O-CB 3.04Å; F30-S33 PolarHBondContact O-N 3.49Å; S33-F36 PolarHBondContact O-N 3.23Å; S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 3.42Å
34V95.1Very high92.2Very high66 Ų6698.2 Ų98.240%0.450%0.504SS..Hα-helixtrans-63.7-45.4177171.90000110.5F30 T31 F36 V37 M38F30-V34 HydrophobicContact CD1-CG2 4.31Å; F30-V34 HydrophobicContact CE1-CG2 3.93Å; F30-V34 HydrophobicContact CE2-CG2 4.43Å; F30-V34 HydrophobicContact CZ-CG2 4Å; F30-V34 WeakPolarHBondContact O-CG2 3.28Å; F30-V34 PolarHBondContact O-N 3.46Å; T31-V34 PolarHBondContact O-N 3.22Å; V34-F36 VanDerWaalsContact C-N 3.31Å; V34-F36 PolarHBondContact O-N 2.03Å; V34-V37 PolarHBondContact O-N 3.01Å; V34-M38 HydrophobicContact CG1-CG 4.3Å; V34-M38 WeakPolarHBondContact O-CB 3.21Å; V34-M38 VanDerWaalsContact O-CG 3.24Å; V34-M38 WeakPolarHBondContact O-CG 3.47Å; V34-M38 PolarHBondContact O-N 3.06Å
35I94.8Very high92.2Very high101 Ų10196 Ų9652%0.51849%0.487SS..Hα-helixtrans-60-43175.9-68.7165.2000110.5T31 L32 M38 T39T31-I35 VanDerWaalsContact O-CG1 3.26Å; T31-I35 WeakPolarHBondContact O-CG1 3.39Å; T31-I35 PolarHBondContact O-N 3.35Å; L32-I35 PolarHBondContact O-N 2.77Å; I35-M38 PolarHBondContact O-N 3.31Å; I35-T39 HydrophobicContact CG2-CG2 4.23Å; I35-T39 WeakPolarHBondContact O-CB 3.45Å; I35-T39 VanDerWaalsContact O-CG2 3.24Å; I35-T39 WeakPolarHBondContact O-CG2 3.09Å; I35-T39 PolarHBondContact O-N 2.93Å; I35-T39 PolarHBondContact O-OG1 3.41Å
36F94.7Very high92.1Very high135 Ų13592.7 Ų92.759%0.59247%0.473SS*.Hα-helixtrans-63-44.2177.3-177.1-99.1000112.5L32 S33 V34 T39 T40L32-F36 WeakPolarHBondContact O-CB 3.41Å; L32-F36 PolarHBondContact O-N 3.36Å; S33-F36 PolarHBondContact O-N 3.23Å; V34-F36 VanDerWaalsContact C-N 3.31Å; V34-F36 PolarHBondContact O-N 2.03Å; F36-T39 WeakPolarHBondContact CA-OG1 3.39Å; F36-T39 PolarHBondContact O-N 3.09Å; F36-T39 PolarHBondContact O-OG1 3.42Å; F36-T40 HydrophobicContact CD1-CG2 4.28Å; F36-T40 HydrophobicContact CD2-CG2 4.38Å; F36-T40 HydrophobicContact CE1-CG2 3.87Å; F36-T40 HydrophobicContact CE2-CG2 3.98Å; F36-T40 HydrophobicContact CZ-CG2 3.71Å; F36-T40 WeakPolarHBondContact O-CB 3.47Å; F36-T40 VanDerWaalsContact O-CG2 3.31Å; F36-T40 WeakPolarHBondContact O-CG2 3.33Å; F36-T40 PolarHBondContact O-N 2.99Å; F36-T40 PolarHBondContact O-OG1 3.46Å
37V94.3Very high91.9Very high75 Ų7591.4 Ų91.446%0.45547%0.473SS..Hα-helixtrans-65-41.9176.7172.70000111.2S33 V34 T40 S41S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 3.42Å; V34-V37 PolarHBondContact O-N 3.01Å; V37-T40 WeakPolarHBondContact CA-OG1 3.3Å; V37-T40 PolarHBondContact O-OG1 3.4Å; V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.44Å; V37-S41 PolarHBondContact O-N 3.18Å; V37-S41 PolarHBondContact O-OG 3.48Å
38M91.9Very high91.9Very high129 Ų12990.6 Ų90.664%0.63547%0.468SS*.Hα-helixtrans-66-42.9178.7-71.8-64.9-69.400111.9V34 I35 Y42V34-M38 HydrophobicContact CG1-CG 4.3Å; V34-M38 WeakPolarHBondContact O-CB 3.21Å; V34-M38 VanDerWaalsContact O-CG 3.24Å; V34-M38 WeakPolarHBondContact O-CG 3.47Å; V34-M38 PolarHBondContact O-N 3.06Å; I35-M38 PolarHBondContact O-N 3.31Å; M38-Y42 VanDerWaalsContact O-CB 3.25Å; M38-Y42 WeakPolarHBondContact O-CB 3.46Å; M38-Y42 PolarHBondContact O-N 2.96Å
39T91.3Very high91.8Very high65 Ų6585.7 Ų85.740%0.39945%0.451SS..Hα-helixtrans-67.4-44.1177.749.30000111.6I35 F36 Y42 L43I35-T39 HydrophobicContact CG2-CG2 4.23Å; I35-T39 WeakPolarHBondContact O-CB 3.45Å; I35-T39 VanDerWaalsContact O-CG2 3.24Å; I35-T39 WeakPolarHBondContact O-CG2 3.09Å; I35-T39 PolarHBondContact O-N 2.93Å; I35-T39 PolarHBondContact O-OG1 3.41Å; F36-T39 WeakPolarHBondContact CA-OG1 3.39Å; F36-T39 PolarHBondContact O-N 3.09Å; F36-T39 PolarHBondContact O-OG1 3.42Å; T39-Y42 PolarHBondContact O-N 3.12Å; T39-L43 WeakPolarHBondContact O-CB 3.45Å; T39-L43 VanDerWaalsContact O-CG 3.24Å; T39-L43 WeakPolarHBondContact O-CG 3.48Å; T39-L43 PolarHBondContact O-N 3.06Å
40T92Very high91.7Very high49 Ų4984 Ų8430%0.30145%0.447SS..Hα-helixtrans-64.6-44.1176.149.70000112.1F36 V37 Y42 L43 V44F36-T40 HydrophobicContact CD1-CG2 4.28Å; F36-T40 HydrophobicContact CD2-CG2 4.38Å; F36-T40 HydrophobicContact CE1-CG2 3.87Å; F36-T40 HydrophobicContact CE2-CG2 3.98Å; F36-T40 HydrophobicContact CZ-CG2 3.71Å; F36-T40 WeakPolarHBondContact O-CB 3.47Å; F36-T40 VanDerWaalsContact O-CG2 3.31Å; F36-T40 WeakPolarHBondContact O-CG2 3.33Å; F36-T40 PolarHBondContact O-N 2.99Å; F36-T40 PolarHBondContact O-OG1 3.46Å; V37-T40 WeakPolarHBondContact CA-OG1 3.3Å; V37-T40 PolarHBondContact O-OG1 3.4Å; T40-Y42 VanDerWaalsContact C-N 3.32Å; T40-Y42 PolarHBondContact O-N 2.81Å; T40-L43 PolarHBondContact O-N 3.05Å; T40-V44 VanDerWaalsContact O-CG2 3.32Å; T40-V44 WeakPolarHBondContact O-CG2 3.24Å; T40-V44 PolarHBondContact O-N 3.25Å
41S89.9Confident91.5Very high68 Ų6881.1 Ų81.148%0.47644%0.442SS..Hα-helixtrans-61-41.5175.4-57.60000111.8V37 V44 Y45V37-S41 VanDerWaalsContact O-CB 3.27Å; V37-S41 WeakPolarHBondContact O-CB 3.44Å; V37-S41 PolarHBondContact O-N 3.18Å; V37-S41 PolarHBondContact O-OG 3.48Å; S41-V44 PolarHBondContact O-N 2.88Å; S41-Y45 WeakPolarHBondContact O-CB 3.44Å; S41-Y45 PolarHBondContact O-N 3.13Å
42Y89Confident91.2Very high96 Ų9678.9 Ų78.938%0.37643%0.428SS..Hα-helixtrans-63.7-42.8174.1179.1-112.6000111.9M38 T39 T40 Y45 N46 F253M38-Y42 VanDerWaalsContact O-CB 3.25Å; M38-Y42 WeakPolarHBondContact O-CB 3.46Å; M38-Y42 PolarHBondContact O-N 2.96Å; T39-Y42 PolarHBondContact O-N 3.12Å; T40-Y42 VanDerWaalsContact C-N 3.32Å; T40-Y42 PolarHBondContact O-N 2.81Å; Y42-Y45 PolarHBondContact O-N 2.73Å; Y42-N46 WeakPolarHBondContact CD1-ND2 3.49Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.41Å; Y42-N46 VanDerWaalsContact CE2-ND2 3.34Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.34Å; Y42-N46 WeakPolarHBondContact O-CB 3.44Å; Y42-N46 PolarHBondContact O-N 3.22Å; Y42-N46 PolarHBondContact O-ND2 3.12Å; Y42-F253 HydrophobicContact CE2-CD2 4.32Å; Y42-F253 WeakPolarHBondContact OH-CB 3.16Å
43L89.2Confident90.7Very high97 Ų9781.8 Ų81.851%0.50844%0.443SS..Hα-helixtrans-64.7-41.6176-71.7173.2000112.2T39 T40 N46 N47T39-L43 WeakPolarHBondContact O-CB 3.45Å; T39-L43 VanDerWaalsContact O-CG 3.24Å; T39-L43 WeakPolarHBondContact O-CG 3.48Å; T39-L43 PolarHBondContact O-N 3.06Å; T40-L43 PolarHBondContact O-N 3.05Å; L43-N46 PolarHBondContact O-N 2.85Å; L43-N47 WeakPolarHBondContact O-CB 3.32Å; L43-N47 PolarHBondContact O-N 2.93Å; L43-N47 PolarHBondContact O-ND2 2.81Å
44V90.1Very high90.2Very high101 Ų10181.4 Ų81.461%0.61244%0.441SS*.Hα-helixtrans-61.7-49.3174.7170.60000109.9T40 S41 N46 N47 Q48T40-V44 VanDerWaalsContact O-CG2 3.32Å; T40-V44 WeakPolarHBondContact O-CG2 3.24Å; T40-V44 PolarHBondContact O-N 3.25Å; S41-V44 PolarHBondContact O-N 2.88Å; V44-N46 VanDerWaalsContact C-N 3.3Å; V44-N46 PolarHBondContact O-N 3.11Å; V44-N47 PolarHBondContact O-N 3.19Å; V44-N47 VanDerWaalsContact O-N 3.09Å; V44-Q48 PolarHBondContact O-N 2.81Å
45Y89Confident89.5Confident73 Ų7379.7 Ų79.729%0.28643%0.428SS..Hα-helixtrans-56.3-44.8175.8-179.1-101.4000111.4S41 Y42 N47 Q48 R252 Y262S41-Y45 WeakPolarHBondContact O-CB 3.44Å; S41-Y45 PolarHBondContact O-N 3.13Å; Y42-Y45 PolarHBondContact O-N 2.73Å; Y45-N47 PolarHBondContact O-N 3.3Å; Y45-Q48 WeakPolarHBondContact O-CG 3.47Å; Y45-R252 HydrophobicContact CD1-CB 4.32Å; Y45-R252 HydrophobicContact CE1-CB 3.96Å; Y45-Y262 HydrophobicContact CD1-CE2 4.11Å; Y45-Y262 HydrophobicContact CD2-CD2 4.23Å; Y45-Y262 HydrophobicContact CD2-CE2 4.16Å; Y45-Y262 HydrophobicContact CE1-CD2 4.11Å; Y45-Y262 AromaticContact CE1-CE2 3.88Å; Y45-Y262 HydrophobicContact CE1-CE2 3.88Å; Y45-Y262 AromaticContact CE2-CD2 3.61Å; Y45-Y262 HydrophobicContact CE2-CD2 3.61Å; Y45-Y262 AromaticContact CE2-CE2 3.93Å; Y45-Y262 HydrophobicContact CE2-CE2 3.93Å; Y45-Y262 HydrophobicContact CG-CE2 4.25Å; Y45-Y262 AromaticContact CZ-CD2 3.54Å; Y45-Y262 AromaticContact CZ-CE2 3.78Å; Y45-Y262 WeakPolarHBondContact O-CE2 3.45Å; Y45-Y262 PolarHBondContact O-OH 2.98Å
46N87Confident88.2Confident39 Ų3983.1 Ų83.121%0.20944%0.442CS..Hα-helixtrans-68.6-16.8-179.5-69-30.6000114.7Y42 L43 V44 R252 Y262Y42-N46 WeakPolarHBondContact CD1-ND2 3.49Å; Y42-N46 WeakPolarHBondContact CE1-ND2 3.41Å; Y42-N46 VanDerWaalsContact CE2-ND2 3.34Å; Y42-N46 WeakPolarHBondContact CE2-ND2 3.34Å; Y42-N46 WeakPolarHBondContact O-CB 3.44Å; Y42-N46 PolarHBondContact O-N 3.22Å; Y42-N46 PolarHBondContact O-ND2 3.12Å; L43-N46 PolarHBondContact O-N 2.85Å; V44-N46 VanDerWaalsContact C-N 3.3Å; V44-N46 PolarHBondContact O-N 3.11Å; N46-R252 WeakPolarHBondContact OD1-CB 3.34Å; N46-Y262 VanDerWaalsContact C-OH 3.23Å; N46-Y262 PolarHBondContact O-OH 3.07Å
47N87.6Confident86.5Confident114 Ų11478.1 Ų78.161%0.6142%0.421SS*.THydrogen-bonded Turntrans-114.112-174.8-69-67.1000114.1L43 V44 Y45 G49L43-N47 WeakPolarHBondContact O-CB 3.32Å; L43-N47 PolarHBondContact O-N 2.93Å; L43-N47 PolarHBondContact O-ND2 2.81Å; V44-N47 PolarHBondContact O-N 3.19Å; V44-N47 VanDerWaalsContact O-N 3.09Å; Y45-N47 PolarHBondContact O-N 3.3Å; N47-G49 VanDerWaalsContact C-N 3.33Å
48Q90.7Very high84.8Confident100 Ų10080.2 Ų80.247%0.46743%0.429SS..  trans-86.94.6178.974.3-171-13.700114.6V44 Y45 Y262V44-Q48 PolarHBondContact O-N 2.81Å; Y45-Q48 WeakPolarHBondContact O-CG 3.47Å; Q48-Y262 HydrophobicContact CG-CD1 4.12Å; Q48-Y262 HydrophobicContact CG-CD2 4.07Å; Q48-Y262 HydrophobicContact CG-CE1 3.77Å; Q48-Y262 HydrophobicContact CG-CE2 3.67Å; Q48-Y262 HydrophobicContact CG-CG 4.26Å; Q48-Y262 VanDerWaalsContact CG-CZ 3.48Å
49G90.5Very high83.6Confident17 Ų1776.2 Ų76.218%0.17541%0.41CS..PPolyproline II helixtrans-68.1141.2-175.200000113.8N47 P266N47-G49 VanDerWaalsContact C-N 3.33Å; G49-P266 WeakPolarHBondContact CA-O 3.42Å
50L92Very high82.8Confident89 Ų8980.9 Ų80.947%0.46643%0.432SS..BIsolated β-bridgetrans-66.4158.6175.4-58.8178.9000111.7P266 Y267 S268L50-P266 HydrophobicContact CD1-CB 4.07Å; L50-P266 HydrophobicContact CD1-CG 4.42Å; L50-P266 PolarHBondContact N-O 2.84Å; L50-Y267 HydrophobicContact CB-CD1 3.79Å; L50-Y267 HydrophobicContact CB-CE1 4.28Å; L50-Y267 CarbonylContact O-C 3.6Å; L50-Y267 WeakPolarHBondContact O-CA 3.33Å; L50-S268 WeakPolarHBondContact O-CB 3.12Å; L50-S268 PolarHBondContact O-N 3.47Å; L50-S268 PolarHBondContact O-OG 2.94Å
51S90.1Very high82.3Confident63 Ų6379 Ų7944%0.44142%0.42SS..PPolyproline II helixtrans-73.3146.2172.3179.70000110.7N53 S54 Y267S51-N53 PolarHBondContact O-N 2.9Å; S51-N53 PolarHBondContact OG-N 3.33Å; S51-S54 PolarHBondContact O-N 3.03Å; S51-S54 VanDerWaalsContact O-N 3.1Å; S51-S54 PolarHBondContact O-OG 3.49Å; S51-Y267 WeakPolarHBondContact O-CD1 3.17Å
52L88.2Confident82.2Confident25 Ų2580.1 Ų80.113%0.13142%0.421CS..G310 helixtrans-63.9-16.3170.5-77.1174.8000113.2S54 F55 Y267 L269 P271 Y311L52-S54 PolarHBondContact O-N 3.02Å; L52-F55 HydrophobicContact CD2-CD2 3.98Å; L52-F55 WeakPolarHBondContact O-CB 3.29Å; L52-F55 PolarHBondContact O-N 2.79Å; L52-F55 VanDerWaalsContact O-N 3.09Å; L52-Y267 HydrophobicContact CD2-CG 4.34Å; L52-L269 HydrophobicContact CD1-CB 3.73Å; L52-L269 VanDerWaalsContact CD2-O 3.3Å; L52-L269 WeakPolarHBondContact CD2-O 3.38Å; L52-L269 HydrophobicContact CG-CB 4.2Å; L52-P271 HydrophobicContact CD1-CG 4.47Å; L52-P271 HydrophobicContact CD2-CG 4.07Å; L52-Y311 PolarHBondContact O-OH 3.22Å; L52-Y311 VanDerWaalsContact O-OH 3.14Å
53N83.7Confident82.2Confident150 Ų15075.9 Ų75.980%0.80241%0.405SS*.G310 helixtrans-69-23.7173.6-66.1-9.2000112.4S51S51-N53 PolarHBondContact O-N 2.9Å; S51-N53 PolarHBondContact OG-N 3.33Å
54S82.4Confident82.2Confident58 Ų5875 Ų7541%0.40640%0.396SS..G310 helixtrans-92.621.9172.172.10000111.6S51 L52 E56S51-S54 PolarHBondContact O-N 3.03Å; S51-S54 VanDerWaalsContact O-N 3.1Å; S51-S54 PolarHBondContact O-OG 3.49Å; L52-S54 PolarHBondContact O-N 3.02Å; S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 3.46Å
55F80.7Confident82Confident30 Ų3074.4 Ų74.413%0.13239%0.387CS..  trans-72.588.9-178.9-173.6-94.9000110.5L52 H57 Y267 L308 Y311L52-F55 HydrophobicContact CD2-CD2 3.98Å; L52-F55 WeakPolarHBondContact O-CB 3.29Å; L52-F55 PolarHBondContact O-N 2.79Å; L52-F55 VanDerWaalsContact O-N 3.09Å; F55-H57 HydrophobicContact CE1-CB 4.38Å; F55-H57 AromaticContact CE1-CD2 3.55Å; F55-H57 AromaticContact CE2-CD2 3.48Å; F55-H57 VanDerWaalsContact CE2-CD2 3.48Å; F55-H57 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H57 AromaticContact CE2-NE2 3.53Å; F55-H57 AromaticContact CZ-CD2 2.94Å; F55-H57 WeakPolarHBondContact CZ-CD2 3.4Å; F55-H57 AromaticContact CZ-CG 3.89Å; F55-H57 AromaticContact CZ-NE2 3.39Å; F55-H57 WeakPolarHBondContact CZ-NE2 3.38Å; F55-Y267 HydrophobicContact CB-CE1 4.19Å; F55-Y267 HydrophobicContact CD2-CD1 4.42Å; F55-Y267 AromaticContact CD2-CD2 3.87Å; F55-Y267 HydrophobicContact CD2-CD2 3.87Å; F55-Y267 HydrophobicContact CD2-CE1 4.07Å; F55-Y267 AromaticContact CD2-CE2 3.45Å; F55-Y267 HydrophobicContact CD2-CE2 3.45Å; F55-Y267 VanDerWaalsContact CD2-CE2 3.45Å; F55-Y267 HydrophobicContact CD2-CG 4.33Å; F55-Y267 AromaticContact CD2-CZ 3.57Å; F55-Y267 HydrophobicContact CE2-CD2 4.21Å; F55-Y267 AromaticContact CE2-CE2 3.85Å; F55-Y267 HydrophobicContact CE2-CE2 3.85Å; F55-Y267 HydrophobicContact CG-CE2 4.49Å; F55-L308 HydrophobicContact CE2-CD2 3.6Å; F55-L308 HydrophobicContact CZ-CB 4.43Å; F55-L308 HydrophobicContact CZ-CD2 3.6Å; F55-Y311 HydrophobicContact CB-CE1 3.89Å; F55-Y311 AromaticContact CD1-CD1 3.48Å; F55-Y311 HydrophobicContact CD1-CD1 3.48Å; F55-Y311 VanDerWaalsContact CD1-CD1 3.48Å; F55-Y311 AromaticContact CD1-CE1 3.42Å; F55-Y311 HydrophobicContact CD1-CE1 3.42Å; F55-Y311 VanDerWaalsContact CD1-CE1 3.42Å; F55-Y311 AromaticContact CE1-CD1 3.53Å; F55-Y311 HydrophobicContact CE1-CD1 3.53Å; F55-Y311 AromaticContact CE1-CE1 3.99Å; F55-Y311 HydrophobicContact CE1-CE1 3.99Å; F55-Y311 HydrophobicContact CG-CD1 4.16Å; F55-Y311 AromaticContact CG-CE1 3.81Å; F55-Y311 HydrophobicContact CG-CE1 3.81Å; F55-Y311 HydrophobicContact CZ-CD1 4.23Å
56E69Low82Confident173 Ų17371.2 Ų71.281%0.80838%0.375SS*.  trans-104.199.9162.3-67.4176.4-173.900105.6S54 Y267S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 3.46Å; E56-Y267 PolarHBondContact N-OH 2.87Å; E56-Y267 PolarHBondContact O-OH 2.94Å
57H59.1Low82.1Confident30 Ų3070.1 Ų70.114%0.13937%0.368CS..  trans-70.8160.6167.5-107.9-43.6000110F55 L59F55-H57 HydrophobicContact CE1-CB 4.38Å; F55-H57 AromaticContact CE1-CD2 3.55Å; F55-H57 AromaticContact CE2-CD2 3.48Å; F55-H57 VanDerWaalsContact CE2-CD2 3.48Å; F55-H57 WeakPolarHBondContact CE2-CD2 3.48Å; F55-H57 AromaticContact CE2-NE2 3.53Å; F55-H57 AromaticContact CZ-CD2 2.94Å; F55-H57 WeakPolarHBondContact CZ-CD2 3.4Å; F55-H57 AromaticContact CZ-CG 3.89Å; F55-H57 AromaticContact CZ-NE2 3.39Å; F55-H57 WeakPolarHBondContact CZ-NE2 3.38Å; H57-L59 CarbonylContact O-C 3.52Å; H57-L59 PolarHBondContact O-N 3.09Å
58L57.8Low82Confident119 Ų11967.2 Ų67.262%0.62335%0.351SS*.SBendtrans-42.6-18-171.6-67.6165.3000117.5I83 K297L58-I83 HydrophobicContact CB-CD1 3.84Å; L58-I83 HydrophobicContact CD1-CD1 4.21Å; L58-K297 HydrophobicContact CD1-CB 3.89Å; L58-K297 HydrophobicContact CD1-CD 4.5Å
59L66.2Low81.8Confident45 Ų4563.3 Ų63.324%0.23633%0.333CS..  trans-137.7126.5176.4-74.8173.1000109.8H57 V61 I80 I83 Y295 K312H57-L59 CarbonylContact O-C 3.52Å; H57-L59 PolarHBondContact O-N 3.09Å; L59-V61 HydrophobicContact CB-CG1 4.05Å; L59-V61 HydrophobicContact CB-CG2 4.28Å; L59-V61 PolarHBondContact O-N 2.88Å; L59-I80 HydrophobicContact CD1-CG2 4.16Å; L59-I80 HydrophobicContact CD2-CG2 4.11Å; L59-I83 HydrophobicContact CD1-CD1 3.49Å; L59-I83 VanDerWaalsContact CD1-CD1 3.49Å; L59-I83 HydrophobicContact CD1-CG1 3.3Å; L59-I83 HydrophobicContact CG-CD1 3.8Å; L59-I83 HydrophobicContact CG-CG1 4.1Å; L59-Y295 HydrophobicContact CD1-CD1 3.89Å; L59-K312 PolarHBondContact O-NZ 3.03Å
60D74.7Confident81.5Confident162 Ų16266.2 Ų66.287%0.86634%0.342SS*.  trans-80.198.8161.2-172.518.1000108
61V82.2Confident81.1Confident10 Ų1065.2 Ų65.26%0.06133%0.334CS..  trans-135135.5-178.8-720000109.4L59 L63 I66 I80 Y295 K312L59-V61 HydrophobicContact CB-CG1 4.05Å; L59-V61 HydrophobicContact CB-CG2 4.28Å; L59-V61 PolarHBondContact O-N 2.88Å; V61-L63 HydrophobicContact CG2-CD2 3.77Å; V61-L63 HydrophobicContact CG2-CG 4.45Å; V61-L63 PolarHBondContact O-N 2.89Å; V61-L63 VanDerWaalsContact O-N 3.16Å; V61-I66 HydrophobicContact CB-CD1 4.3Å; V61-I80 HydrophobicContact CG1-CB 4.08Å; V61-I80 HydrophobicContact CG1-CD1 3.48Å; V61-I80 VanDerWaalsContact CG1-CD1 3.48Å; V61-I80 HydrophobicContact CG1-CG1 4.34Å; V61-I80 HydrophobicContact CG1-CG2 3.8Å; V61-Y295 HydrophobicContact CG1-CD1 4.34Å; V61-Y295 HydrophobicContact CG2-CD1 4.12Å; V61-Y295 HydrophobicContact CG2-CG 4.11Å; V61-K312 WeakPolarHBondContact O-CE 3.41Å
62D86.6Confident80.5Confident91 Ų9167.6 Ų67.649%0.48734%0.336SS..  trans-75.998.5169.1-174.1-18.8000109.4Y64 M65 I66D62-Y64 VanDerWaalsContact C-N 3.3Å; D62-Y64 PolarHBondContact O-N 3.43Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.43Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.15Å; D62-Y64 PolarHBondContact OD1-N 2.94Å; D62-M65 HydrophobicContact CB-CB 3.91Å; D62-M65 HydrophobicContact CB-CE 4.39Å; D62-M65 PolarHBondContact O-N 3.23Å; D62-M65 PolarHBondContact OD1-N 2.78Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.16Å
63L89.2Confident79.6Confident8 Ų870.8 Ų70.84%0.04236%0.361CS..Hα-helixtrans-66.5-31.6179-66.3-176.1000112.4V61 I66 Y67 Y295 V309 K312 L313V61-L63 HydrophobicContact CG2-CD2 3.77Å; V61-L63 HydrophobicContact CG2-CG 4.45Å; V61-L63 PolarHBondContact O-N 2.89Å; V61-L63 VanDerWaalsContact O-N 3.16Å; L63-I66 PolarHBondContact O-N 2.95Å; L63-Y67 WeakPolarHBondContact O-CB 3.28Å; L63-Y67 PolarHBondContact O-N 2.68Å; L63-Y295 HydrophobicContact CD2-CD2 4.1Å; L63-Y295 HydrophobicContact CD2-CG 4.26Å; L63-V309 HydrophobicContact CD1-CG1 4.33Å; L63-K312 HydrophobicContact CD1-CB 4.13Å; L63-K312 HydrophobicContact CD1-CD 3.78Å; L63-K312 HydrophobicContact CD1-CG 3.83Å; L63-K312 HydrophobicContact CG-CD 4.11Å; L63-K312 HydrophobicContact CG-CG 4.28Å; L63-L313 HydrophobicContact CB-CD2 3.58Å; L63-L313 HydrophobicContact CB-CG 4.46Å; L63-L313 HydrophobicContact CD1-CD2 4.14Å; L63-L313 HydrophobicContact CD1-CG 4.13Å
64Y89.2Confident78.4Confident79 Ų7968 Ų6831%0.3135%0.345SS..Hα-helixtrans-67.1-44.8176.8-82.4-70.5000110.4D62 I66 Y67 E68 N238 L288 L313D62-Y64 VanDerWaalsContact C-N 3.3Å; D62-Y64 PolarHBondContact O-N 3.43Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.43Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.15Å; D62-Y64 PolarHBondContact OD1-N 2.94Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3Å; Y64-Y67 WeakPolarHBondContact O-CB 3.09Å; Y64-Y67 PolarHBondContact O-N 3.48Å; Y64-E68 WeakPolarHBondContact O-CG 3.45Å; Y64-E68 PolarHBondContact O-N 3.08Å; Y64-N238 PolarHBondContact OH-OD1 3.34Å; Y64-L288 HydrophobicContact CD1-CD2 3.8Å; Y64-L288 HydrophobicContact CE1-CD1 3.93Å; Y64-L288 HydrophobicContact CE1-CD2 3.85Å; Y64-L313 HydrophobicContact CD1-CD2 4.45Å; Y64-L313 HydrophobicContact CD2-CD2 3.92Å; Y64-L313 HydrophobicContact CE1-CD2 4.34Å; Y64-L313 HydrophobicContact CE2-CB 4.16Å; Y64-L313 HydrophobicContact CE2-CD2 3.8Å; Y64-L313 VanDerWaalsContact CE2-O 3.26Å; Y64-L313 WeakPolarHBondContact CE2-O 3.32Å; Y64-L313 HydrophobicContact CG-CD2 4.25Å; Y64-L313 PolarHBondContact OH-O 2.69Å
65M87.1Confident77.2Confident88 Ų8872.9 Ų72.943%0.43337%0.367SS..Hα-helixtrans-58.7-42.1175.8-177.4-17261.300112.1D62 E68 N69D62-M65 HydrophobicContact CB-CB 3.91Å; D62-M65 HydrophobicContact CB-CE 4.39Å; D62-M65 PolarHBondContact O-N 3.23Å; D62-M65 PolarHBondContact OD1-N 2.78Å; M65-E68 PolarHBondContact O-N 3.02Å; M65-N69 WeakPolarHBondContact O-CB 3.31Å; M65-N69 PolarHBondContact O-N 3.41Å; M65-N69 PolarHBondContact O-ND2 3.02Å
66I87.5Confident76.3Confident6 Ų676.6 Ų76.63%0.03139%0.388CS..Hα-helixtrans-64.1-44.6176.9-62167000110.5V61 D62 L63 Y64 N69 E70 P78 V291 Y295V61-I66 HydrophobicContact CB-CD1 4.3Å; D62-I66 WeakPolarHBondContact O-CG1 3.33Å; D62-I66 PolarHBondContact O-N 3.16Å; L63-I66 PolarHBondContact O-N 2.95Å; Y64-I66 VanDerWaalsContact C-N 3.31Å; Y64-I66 PolarHBondContact O-N 3Å; I66-N69 PolarHBondContact O-N 3.09Å; I66-E70 PolarHBondContact O-N 3.17Å; I66-P78 HydrophobicContact CG1-CB 4.37Å; I66-P78 HydrophobicContact CG2-CB 4.49Å; I66-V291 HydrophobicContact CB-CG1 3.88Å; I66-V291 HydrophobicContact CG2-CG1 3.53Å; I66-Y295 HydrophobicContact CD1-CD2 4.17Å; I66-Y295 HydrophobicContact CD1-CE1 4.13Å; I66-Y295 HydrophobicContact CD1-CE2 3.71Å; I66-Y295 HydrophobicContact CG2-CE2 4.18Å
67Y88.9Confident76Confident16 Ų1677.8 Ų77.86%0.06339%0.391CS..Hα-helixtrans-58.7-47.3175.2164.4-99.5000112.6L63 Y64 N69 E70 F71 K72 Q287 L288L63-Y67 WeakPolarHBondContact O-CB 3.28Å; L63-Y67 PolarHBondContact O-N 2.68Å; Y64-Y67 WeakPolarHBondContact O-CB 3.09Å; Y64-Y67 PolarHBondContact O-N 3.48Å; Y67-N69 VanDerWaalsContact C-N 3.33Å; Y67-N69 PolarHBondContact O-N 2.92Å; Y67-E70 PolarHBondContact O-N 3.37Å; Y67-F71 HydrophobicContact CD2-CB 4.13Å; Y67-F71 AromaticContact CD2-CD2 3.57Å; Y67-F71 HydrophobicContact CD2-CD2 3.57Å; Y67-F71 HydrophobicContact CD2-CE2 4.36Å; Y67-F71 HydrophobicContact CD2-CG 4.09Å; Y67-F71 HydrophobicContact CE2-CB 3.78Å; Y67-F71 AromaticContact CE2-CD2 3.88Å; Y67-F71 HydrophobicContact CE2-CD2 3.88Å; Y67-F71 AromaticContact CE2-CG 3.93Å; Y67-F71 HydrophobicContact CE2-CG 3.93Å; Y67-F71 WeakPolarHBondContact O-CB 3.36Å; Y67-F71 PolarHBondContact O-N 3.11Å; Y67-K72 HydrophobicContact CE1-CD 4.23Å; Y67-Q287 HydrophobicContact CD2-CB 4.03Å; Y67-Q287 HydrophobicContact CE2-CB 3.51Å; Y67-Q287 HydrophobicContact CE2-CG 4.43Å; Y67-Q287 PolarHBondContact OH-OE1 3.03Å; Y67-Q287 VanDerWaalsContact OH-OE1 3.08Å; Y67-L288 HydrophobicContact CD1-CD2 3.75Å; Y67-L288 HydrophobicContact CD1-CG 4.41Å; Y67-L288 HydrophobicContact CD2-CD2 3.89Å; Y67-L288 HydrophobicContact CD2-CG 4.06Å; Y67-L288 HydrophobicContact CE1-CD2 4.39Å; Y67-L288 HydrophobicContact CE2-CG 4.34Å; Y67-L288 HydrophobicContact CG-CD2 3.45Å; Y67-L288 VanDerWaalsContact CG-CD2 3.45Å; Y67-L288 HydrophobicContact CG-CG 4.11Å
68E87.1Confident76.1Confident53 Ų5378.8 Ų78.825%0.24840%0.4CS..Hα-helixtrans-62.2-40.5178.9-66.2-75.914300111.6Y64 M65 K72 S73 L74Y64-E68 WeakPolarHBondContact O-CG 3.45Å; Y64-E68 PolarHBondContact O-N 3.08Å; M65-E68 PolarHBondContact O-N 3.02Å; E68-K72 CarbonylContact O-C 3.54Å; E68-K72 VanDerWaalsContact O-CA 3.27Å; E68-K72 WeakPolarHBondContact O-CA 3.47Å; E68-K72 WeakPolarHBondContact O-CB 3.37Å; E68-K72 PolarHBondContact O-N 2.98Å; E68-K72 VanDerWaalsContact OE1-CD 3.26Å; E68-K72 WeakPolarHBondContact OE1-CD 3.46Å; E68-K72 WeakPolarHBondContact OE1-CE 3.39Å; E68-K72 IonicContact OE1-NZ 3.3Å; E68-K72 PolarHBondContact OE1-NZ 3.26Å; E68-K72 WeakPolarHBondContact OE2-CD 3.16Å; E68-K72 IonicContact OE2-NZ 2.87Å; E68-K72 PolarHBondContact OE2-NZ 3.16Å; E68-S73 PolarHBondContact O-N 3.49Å; E68-L74 HydrophobicContact CB-CD1 3.91Å
69N86Confident76.5Confident18 Ų1878.2 Ų78.210%0.09641%0.405CS..Hα-helixtrans-64.6-42.2176.7-71-24.8000112.6M65 I66 Y67 L74 N76M65-N69 WeakPolarHBondContact O-CB 3.31Å; M65-N69 PolarHBondContact O-N 3.41Å; M65-N69 PolarHBondContact O-ND2 3.02Å; I66-N69 PolarHBondContact O-N 3.09Å; Y67-N69 VanDerWaalsContact C-N 3.33Å; Y67-N69 PolarHBondContact O-N 2.92Å; N69-L74 WeakPolarHBondContact CA-O 3.08Å; N69-L74 VanDerWaalsContact OD1-CB 3.27Å; N69-L74 WeakPolarHBondContact OD1-CB 3.2Å; N69-N76 WeakPolarHBondContact CB-O 3.5Å
70E84.4Confident77.1Confident77 Ų7779.1 Ų79.136%0.3641%0.41SS..Hα-helixtrans-79.8-42.5-177.2-72.1-174.1171.600113.3I66 Y67 R294I66-E70 PolarHBondContact O-N 3.17Å; Y67-E70 PolarHBondContact O-N 3.37Å; E70-R294 IonicContact OE1-CZ 3.06Å; E70-R294 VanDerWaalsContact OE1-CZ 3.3Å; E70-R294 IonicContact OE1-NH1 3.8Å; E70-R294 PolarHBondContact OE1-NH1 3.34Å; E70-R294 IonicContact OE1-NH2 3.93Å; E70-R294 PolarHBondContact OE1-NH2 3.31Å; E70-R294 IonicContact OE2-CZ 2.79Å; E70-R294 IonicContact OE2-NH1 3.48Å; E70-R294 PolarHBondContact OE2-NH1 3.28Å; E70-R294 IonicContact OE2-NH2 2.97Å; E70-R294 PolarHBondContact OE2-NH2 2.71Å
71F82.6Confident77.6Confident68 Ų6880.3 Ų80.330%0.29841%0.407SS..Hα-helixtrans-104.7-21.4-170.3-69.8-81.3000114.2Y67 I201 Q287 V291Y67-F71 HydrophobicContact CD2-CB 4.13Å; Y67-F71 AromaticContact CD2-CD2 3.57Å; Y67-F71 HydrophobicContact CD2-CD2 3.57Å; Y67-F71 HydrophobicContact CD2-CE2 4.36Å; Y67-F71 HydrophobicContact CD2-CG 4.09Å; Y67-F71 HydrophobicContact CE2-CB 3.78Å; Y67-F71 AromaticContact CE2-CD2 3.88Å; Y67-F71 HydrophobicContact CE2-CD2 3.88Å; Y67-F71 AromaticContact CE2-CG 3.93Å; Y67-F71 HydrophobicContact CE2-CG 3.93Å; Y67-F71 WeakPolarHBondContact O-CB 3.36Å; Y67-F71 PolarHBondContact O-N 3.11Å; F71-I201 HydrophobicContact CE1-CG2 3.53Å; F71-I201 HydrophobicContact CZ-CD1 4.37Å; F71-I201 HydrophobicContact CZ-CG2 3.94Å; F71-Q287 HydrophobicContact CD1-CB 4.37Å; F71-Q287 HydrophobicContact CD1-CG 4Å; F71-Q287 HydrophobicContact CD2-CB 4.33Å; F71-Q287 HydrophobicContact CE1-CB 4.29Å; F71-Q287 HydrophobicContact CE1-CG 3.9Å; F71-Q287 HydrophobicContact CE2-CB 4.25Å; F71-Q287 HydrophobicContact CG-CB 4.38Å; F71-Q287 HydrophobicContact CG-CG 4.45Å; F71-Q287 HydrophobicContact CZ-CB 4.22Å; F71-Q287 HydrophobicContact CZ-CG 4.27Å; F71-V291 HydrophobicContact CD2-CG2 4.2Å; F71-V291 HydrophobicContact CE2-CG2 3.67Å
72K78.2Confident77.9Confident114 Ų11482 Ų8250%0.49642%0.418SS..SBendtrans-112.816.4179.9-70.5171.7171.1-176.50113.5Y67 E68 L74Y67-K72 HydrophobicContact CE1-CD 4.23Å; E68-K72 CarbonylContact O-C 3.54Å; E68-K72 VanDerWaalsContact O-CA 3.27Å; E68-K72 WeakPolarHBondContact O-CA 3.47Å; E68-K72 WeakPolarHBondContact O-CB 3.37Å; E68-K72 PolarHBondContact O-N 2.98Å; E68-K72 VanDerWaalsContact OE1-CD 3.26Å; E68-K72 WeakPolarHBondContact OE1-CD 3.46Å; E68-K72 WeakPolarHBondContact OE1-CE 3.39Å; E68-K72 IonicContact OE1-NZ 3.3Å; E68-K72 PolarHBondContact OE1-NZ 3.26Å; E68-K72 WeakPolarHBondContact OE2-CD 3.16Å; E68-K72 IonicContact OE2-NZ 2.87Å; E68-K72 PolarHBondContact OE2-NZ 3.16Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.24Å
73S69.1Low77.9Confident91 Ų9180.7 Ų80.764%0.63641%0.411SS*.  trans61.130.7167.2-172.30000114.9E68 N75E68-S73 PolarHBondContact O-N 3.49Å; S73-N75 PolarHBondContact O-N 3.15Å
74L59.2Low77.7Confident92 Ų9281.6 Ų81.648%0.48242%0.416SS..  trans-75.5110.4160.3-66.8166.2000106.6E68 N69 K72 N76E68-L74 HydrophobicContact CB-CD1 3.91Å; N69-L74 WeakPolarHBondContact CA-O 3.08Å; N69-L74 VanDerWaalsContact OD1-CB 3.27Å; N69-L74 WeakPolarHBondContact OD1-CB 3.2Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 3.24Å; L74-N76 PolarHBondContact O-N 2.95Å
75N56.9Low77.6Confident160 Ų16082.6 Ų82.686%0.85643%0.432SS*.  trans-63.834.8-172.6-84.3-32.4000116S73S73-N75 PolarHBondContact O-N 3.15Å
76N61.9Low77.6Confident109 Ų10980.8 Ų80.858%0.58343%0.426SS*.PPolyproline II helixtrans-103.7121.2178.8-68.8-26.9000110.6N69 L74N69-N76 WeakPolarHBondContact CB-O 3.5Å; L74-N76 PolarHBondContact O-N 2.95Å
77K62.2Low77.8Confident198 Ų19888.2 Ų88.286%0.86146%0.458SS*.PPolyproline II helixtrans-65.3137.3168.7-76.7-178.2178.3177.10109.4S79K77-S79 PolarHBondContact O-N 3.05Å
78P61.6Low78.2Confident51 Ų5189 Ų8933%0.33146%0.462SS..PPolyproline II helixtrans-58.2130.9172.820.9-29000110I66 I80I66-P78 HydrophobicContact CG1-CB 4.37Å; I66-P78 HydrophobicContact CG2-CB 4.49Å; P78-I80 PolarHBondContact O-N 3.02Å
79S66.6Low78.6Confident106 Ų10690.9 Ų90.974%0.74147%0.474SS*.SBendtrans-70.6-20.4179.246.30000112.7K77K77-S79 PolarHBondContact O-N 3.05Å
80I79Confident79.2Confident64 Ų6491.8 Ų91.833%0.32848%0.483SS..SBendtrans-113.1126.4-170.7-62.9167.8000110.2L59 V61 P78 Y295L59-I80 HydrophobicContact CD1-CG2 4.16Å; L59-I80 HydrophobicContact CD2-CG2 4.11Å; V61-I80 HydrophobicContact CG1-CB 4.08Å; V61-I80 HydrophobicContact CG1-CD1 3.48Å; V61-I80 VanDerWaalsContact CG1-CD1 3.48Å; V61-I80 HydrophobicContact CG1-CG1 4.34Å; V61-I80 HydrophobicContact CG1-CG2 3.8Å; P78-I80 PolarHBondContact O-N 3.02Å; I80-Y295 HydrophobicContact CG2-CE1 4.23Å; I80-Y295 WeakPolarHBondContact O-CE1 3.26Å; I80-Y295 PolarHBondContact O-OH 3.46Å
81K84.1Confident79.7Confident187 Ų18791 Ų9181%0.81348%0.483SS*.  trans-67.3135.8177.1-70.5-175.8-179.8179.50110.2
82P87.7Confident80.4Confident45 Ų4588.8 Ų88.829%0.29248%0.475SS..  trans-65.8148.3175.5-7.918.9000112.6R294 Y295P82-R294 CarbonylContact C-O 3.52Å; P82-R294 HydrophobicContact CB-CB 3.69Å; P82-R294 WeakPolarHBondContact CB-O 3.26Å; P82-R294 HydrophobicContact CG-CB 4.48Å; P82-Y295 HydrophobicContact CB-CD1 4.5Å; P82-Y295 HydrophobicContact CB-CE1 4.09Å; P82-Y295 HydrophobicContact CB-CE2 4.32Å; P82-Y295 HydrophobicContact CG-CE1 4.34Å; P82-Y295 HydrophobicContact CG-CE2 4.45Å
83I87.1Confident81.3Confident64 Ų6487.2 Ų87.233%0.32847%0.469SS..SBendtrans-76-40.6176.7-53178.7000110.4L58 L59 P85 R294L58-I83 HydrophobicContact CB-CD1 3.84Å; L58-I83 HydrophobicContact CD1-CD1 4.21Å; L59-I83 HydrophobicContact CD1-CD1 3.49Å; L59-I83 VanDerWaalsContact CD1-CD1 3.49Å; L59-I83 HydrophobicContact CD1-CG1 3.3Å; L59-I83 HydrophobicContact CG-CD1 3.8Å; L59-I83 HydrophobicContact CG-CG1 4.1Å; I83-P85 VanDerWaalsContact C-CD 3.47Å; I83-P85 VanDerWaalsContact O-CD 3.25Å; I83-P85 WeakPolarHBondContact O-CD 3.3Å; I83-R294 PolarHBondContact N-O 3.26Å
84N86.3Confident82.5Confident28 Ų2883 Ų8315%0.1544%0.439CS..  trans-116.882177.8-38.4-68.1000109.5V86 L293 R294 I296 L298N84-V86 HydrophobicContact CB-CG2 4.14Å; N84-V86 PolarHBondContact O-N 2.88Å; N84-L293 PolarHBondContact ND2-O 3.11Å; N84-R294 PolarHBondContact N-O 3.36Å; N84-I296 PolarHBondContact ND2-O 2.88Å; N84-L298 HydrophobicContact CB-CD1 4Å; N84-L298 HydrophobicContact CB-CG 4.29Å
85P85.1Confident83.9Confident99 Ų9985.5 Ų85.564%0.64345%0.452SS*.  trans-76.737.9171.436.1-37.4000111I83I83-P85 VanDerWaalsContact C-CD 3.47Å; I83-P85 VanDerWaalsContact O-CD 3.25Å; I83-P85 WeakPolarHBondContact O-CD 3.3Å
86V88.2Confident85.2Confident50 Ų5081 Ų8130%0.30343%0.428SS..  trans-73.6130.9-177-177.80000108.2N84 F88N84-V86 HydrophobicContact CB-CG2 4.14Å; N84-V86 PolarHBondContact O-N 2.88Å; V86-F88 HydrophobicContact CG1-CD1 4.49Å; V86-F88 HydrophobicContact CG1-CD2 4.15Å; V86-F88 HydrophobicContact CG1-CE1 3.77Å; V86-F88 HydrophobicContact CG1-CE2 3.39Å; V86-F88 HydrophobicContact CG1-CZ 3.16Å
87K92.2Very high86.2Confident162 Ų16276.1 Ų76.170%0.70440%0.402SS*.  trans-132.2132.3176.3-176174.4-179176.20108.6
88F96.7Very high87.2Confident33 Ų3367 Ų6715%0.14536%0.363CS..  trans-111.5140.1177.3-61.2-65.7000110V86 F180 D181 F182 Y191 I194 A195V86-F88 HydrophobicContact CG1-CD1 4.49Å; V86-F88 HydrophobicContact CG1-CD2 4.15Å; V86-F88 HydrophobicContact CG1-CE1 3.77Å; V86-F88 HydrophobicContact CG1-CE2 3.39Å; V86-F88 HydrophobicContact CG1-CZ 3.16Å; F88-F180 HydrophobicContact CB-CB 4.37Å; F88-F180 HydrophobicContact CB-CD1 4.29Å; F88-D181 WeakPolarHBondContact CA-OD1 3.49Å; F88-F182 HydrophobicContact CB-CD1 4.39Å; F88-F182 HydrophobicContact CD1-CB 3.74Å; F88-F182 HydrophobicContact CD1-CD1 4.06Å; F88-F182 HydrophobicContact CD1-CG 4.41Å; F88-F182 HydrophobicContact CD2-CD1 4.25Å; F88-F182 HydrophobicContact CE1-CB 3.56Å; F88-F182 HydrophobicContact CE1-CD1 4.42Å; F88-F182 HydrophobicContact CE1-CG 4.44Å; F88-F182 HydrophobicContact CG-CB 4.48Å; F88-F182 AromaticContact CG-CD1 3.96Å; F88-F182 HydrophobicContact CG-CD1 3.96Å; F88-F182 HydrophobicContact CZ-CB 4.14Å; F88-Y191 HydrophobicContact CE1-CG 4.42Å; F88-Y191 VanDerWaalsContact CE2-CB 3.49Å; F88-Y191 AromaticContact CE2-CD1 3.88Å; F88-Y191 HydrophobicContact CE2-CD1 3.88Å; F88-Y191 AromaticContact CE2-CG 3.82Å; F88-Y191 HydrophobicContact CE2-CG 3.82Å; F88-Y191 VanDerWaalsContact CZ-CB 3.45Å; F88-Y191 AromaticContact CZ-CD1 3.61Å; F88-Y191 HydrophobicContact CZ-CD1 3.61Å; F88-Y191 AromaticContact CZ-CD2 3.92Å; F88-Y191 HydrophobicContact CZ-CD2 3.92Å; F88-Y191 HydrophobicContact CZ-CE1 4.3Å; F88-Y191 AromaticContact CZ-CG 3.38Å; F88-Y191 HydrophobicContact CZ-CG 3.38Å; F88-I194 HydrophobicContact CD2-CG2 4.46Å; F88-I194 HydrophobicContact CE2-CG2 4.47Å; F88-A195 HydrophobicContact CB-CB 3.94Å; F88-A195 HydrophobicContact CD2-CB 3.88Å; F88-A195 HydrophobicContact CG-CB 4.25Å
89N96.3Very high87.6Confident93 Ų9371 Ų7150%0.49738%0.375SS..  trans-99.7139.6178.4-53.4-72.6000109.7V91 F180 D181N89-V91 PolarHBondContact O-N 3.15Å; N89-F180 WeakPolarHBondContact O-CA 3.42Å; N89-D181 WeakPolarHBondContact CB-OD2 3.23Å; N89-D181 PolarHBondContact N-OD1 3.15Å; N89-D181 PolarHBondContact N-OD2 3.3Å; N89-D181 PolarHBondContact ND2-OD2 3.41Å; N89-D181 PolarHBondContact O-N 3.08Å; N89-D181 VanDerWaalsContact O-N 3.13Å
90A96.8Very high87.5Confident37 Ų3767.9 Ų67.931%0.30635%0.35SS..EExtended strand (participates in β ladder)trans-70.3119.4168.700000109.4Q93 Q179 F180A90-Q93 HydrophobicContact CB-CB 4.24Å; A90-Q179 CarbonylContact C-O 3.52Å; A90-Q179 WeakPolarHBondContact CA-O 2.9Å; A90-F180 HydrophobicContact CB-CD1 4.37Å; A90-F180 HydrophobicContact CB-CE1 4.28Å
91V96.6Very high86.4Confident59 Ų5969.1 Ų69.136%0.35836%0.364SS..EExtended strand (participates in β ladder)trans-80.3-43.1170.9175.70000110.1N89 W158 Q179 D181N89-V91 PolarHBondContact O-N 3.15Å; V91-W158 HydrophobicContact CB-CH2 4.35Å; V91-W158 HydrophobicContact CG1-CH2 3.63Å; V91-W158 HydrophobicContact CG1-CZ3 4.13Å; V91-W158 HydrophobicContact CG2-CH2 3.85Å; V91-W158 HydrophobicContact CG2-CZ2 4.44Å; V91-Q179 PolarHBondContact N-O 3.39Å; V91-D181 HydrophobicContact CG2-CB 4Å
92L97.5Very high85Confident22 Ų2268.3 Ų68.312%0.11537%0.369CS..EExtended strand (participates in β ladder)trans-126.5138.3173.3-58.6176.9000107.7V167 L168 H171 V178 Q179L92-V167 HydrophobicContact CD1-CG1 4Å; L92-L168 HydrophobicContact CD1-CD1 4.43Å; L92-L168 HydrophobicContact CD2-CD1 3.84Å; L92-H171 HydrophobicContact CD1-CB 4.04Å; L92-V178 CarbonylContact O-C 3.6Å; L92-V178 WeakPolarHBondContact O-CA 3.26Å; L92-Q179 HydrophobicContact CB-CB 3.86Å; L92-Q179 HydrophobicContact CD1-CB 4.3Å; L92-Q179 VanDerWaalsContact CD1-OE1 3.26Å; L92-Q179 HydrophobicContact CG-CB 4.19Å; L92-Q179 PolarHBondContact N-O 2.86Å; L92-Q179 PolarHBondContact O-N 3.29Å
93Q96.2Very high83.4Confident82 Ų8271.9 Ų71.938%0.38338%0.382SS..  trans-152.4151.1171.564.4-177.528.500109.3A90 H171 F199A90-Q93 HydrophobicContact CB-CB 4.24Å; Q93-H171 PolarHBondContact O-CE1 2.92Å; Q93-H171 VanDerWaalsContact O-CE1 3.28Å; Q93-F199 HydrophobicContact CB-CE2 4.04Å; Q93-F199 HydrophobicContact CB-CZ 4.48Å
94P93.9Very high81.9Confident1 Ų173.6 Ų73.61%0.00640%0.399CS..  trans-59.3147.8178.1-24.935.4000112.7N96 S97 L147 N175 T177P94-N96 PolarHBondContact O-N 3.48Å; P94-N96 VanDerWaalsContact O-N 3.14Å; P94-S97 PolarHBondContact O-N 2.99Å; P94-L147 HydrophobicContact CG-CD2 3.68Å; P94-N175 WeakPolarHBondContact CA-OD1 3.46Å; P94-N175 WeakPolarHBondContact CB-O 3.47Å; P94-N175 WeakPolarHBondContact CG-O 3.29Å; P94-T177 WeakPolarHBondContact CD-O 3.47Å
95I88.5Confident80.5Confident146 Ų14679.4 Ų79.475%0.74943%0.431SS*.THydrogen-bonded Turntrans-51.7-41176.3-62.8170.6000111.5N175I95-N175 PolarHBondContact N-OD1 3.44Å; I95-N175 VanDerWaalsContact N-OD1 3.11Å
96N84.5Confident79.7Confident66 Ų6675 Ų7535%0.35340%0.403SS..THydrogen-bonded Turntrans-120.187.6170.1-65.6-49.2000107.7P94 C98 K99P94-N96 PolarHBondContact O-N 3.48Å; P94-N96 VanDerWaalsContact O-N 3.14Å; N96-C98 PolarHBondContact O-N 3.36Å; N96-K99 HydrophobicContact CB-CB 4.06Å; N96-K99 WeakPolarHBondContact CB-O 3.43Å
97S83.7Confident79.2Confident6 Ų674 Ų744%0.04240%0.398CS..SBendtrans-43-67.6-179-60.60000111.8P94 R145 F199 E203P94-S97 PolarHBondContact O-N 2.99Å; S97-R145 PolarHBondContact O-NE 3.06Å; S97-F199 WeakPolarHBondContact OG-CZ 3.48Å; S97-E203 PolarHBondContact OG-OE2 2.91Å; S97-E203 VanDerWaalsContact OG-OE2 3.06Å
98C82.5Confident79Confident6 Ų666.3 Ų66.34%0.04137%0.365CS..SBendtrans-122.33178-81.70000113.8N96 P108 E203 C204N96-C98 PolarHBondContact O-N 3.36Å; C98-P108 HydrophobicContact CB-CG 4.34Å; C98-P108 WeakPolarHBondContact O-CD 3.33Å; C98-E203 WeakPolarHBondContact CB-O 3.38Å; C98-C204 HydrophobicContact CB-CB 3.51Å; C98-C204 WeakPolarHBondContact CB-SG 3.4Å; C98-C204 WeakPolarHBondContact SG-CB 3.49Å; C98-C204 CovalentContact SG-SG 2.03Å; C98-C204 PolarHBondContact SG-SG 3.48Å
99K70.9Confident78.7Confident135 Ų13567.3 Ų67.359%0.58737%0.372SS*.SBendtrans-80.4129.5168.5-63.6-178.6-178.8179.80108.5N96N96-K99 HydrophobicContact CB-CB 4.06Å; N96-K99 WeakPolarHBondContact CB-O 3.43Å
100L63.1Low78.6Confident40 Ų4063 Ų6321%0.20935%0.348CS..PPolyproline II helixtrans-73.9133.2179-63.4169.1000109.3Q103 A106 R143L100-Q103 PolarHBondContact O-N 2.79Å; L100-A106 WeakPolarHBondContact CB-O 3.47Å; L100-A106 HydrophobicContact CD1-CB 4.21Å; L100-A106 WeakPolarHBondContact CD1-O 3.45Å; L100-A106 WeakPolarHBondContact CG-O 3.19Å; L100-A106 PolarHBondContact N-O 3.32Å; L100-R143 HydrophobicContact CD1-CB 3.87Å; L100-R143 HydrophobicContact CD1-CG 4.17Å
101S56.8Low78.6Confident90 Ų9061.2 Ų61.263%0.62933%0.334SS*.THydrogen-bonded Turntrans-61.3142.3175.850.50000110.5Q103S101-Q103 VanDerWaalsContact C-N 3.29Å; S101-Q103 PolarHBondContact O-N 3.16Å
102N53.9Low78.6Confident170 Ų17058.4 Ų58.491%0.90932%0.317SS*.THydrogen-bonded Turntrans70.22.2-175.7-59.9-18000117.4
103Q55.6Low78.6Confident120 Ų12057.3 Ų57.356%0.56131%0.311SS*.  trans-141.789169.9-68.5-179.94.200108.3L100 S101 D105 A106L100-Q103 PolarHBondContact O-N 2.79Å; S101-Q103 VanDerWaalsContact C-N 3.29Å; S101-Q103 PolarHBondContact O-N 3.16Å; Q103-D105 PolarHBondContact O-N 3.47Å; Q103-A106 HydrophobicContact CB-CB 3.47Å; Q103-A106 VanDerWaalsContact CB-CB 3.47Å; Q103-A106 HydrophobicContact CG-CB 4.33Å; Q103-A106 PolarHBondContact O-N 3.14Å
104S53.9Low78.8Confident100 Ų10053.4 Ų53.470%0.69929%0.293SS*.THydrogen-bonded Turntrans-51.1-24.5-178.855.10000113.7
105D57.5Low79Confident150 Ų15054 Ų5480%0.80230%0.295SS*.THydrogen-bonded Turntrans-105.9-7.7-174-57.5-7.6000113Q103 S107Q103-D105 PolarHBondContact O-N 3.47Å; D105-S107 PolarHBondContact O-N 3.37Å
106A68.7Low79.4Confident8 Ų847.2 Ų47.27%0.06626%0.261CS..  trans-91.6110.2179.800000110.6L100 Q103L100-A106 WeakPolarHBondContact CB-O 3.47Å; L100-A106 HydrophobicContact CD1-CB 4.21Å; L100-A106 WeakPolarHBondContact CD1-O 3.45Å; L100-A106 WeakPolarHBondContact CG-O 3.19Å; L100-A106 PolarHBondContact N-O 3.32Å; Q103-A106 HydrophobicContact CB-CB 3.47Å; Q103-A106 VanDerWaalsContact CB-CB 3.47Å; Q103-A106 HydrophobicContact CG-CB 4.33Å; Q103-A106 PolarHBondContact O-N 3.14Å
107S78Confident80Confident28 Ų2845.4 Ų45.420%0.19626%0.255CS..  trans-93.2154.7172.459.10000113D105 R143 T206D105-S107 PolarHBondContact O-N 3.37Å; S107-R143 PolarHBondContact O-NE 2.93Å; S107-R143 PolarHBondContact O-NH1 3.39Å; S107-R143 PolarHBondContact O-NH2 3.12Å; S107-R143 VanDerWaalsContact O-NH2 3.13Å; S107-T206 WeakPolarHBondContact CB-OG1 3.31Å; S107-T206 VanDerWaalsContact OG-CB 3.26Å; S107-T206 WeakPolarHBondContact OG-CB 3.47Å; S107-T206 PolarHBondContact OG-OG1 3.36Å
108P87.6Confident80.7Confident1 Ų145.9 Ų45.91%0.00626%0.257CS..  trans-68140.2174.427.9-35000110.2C98 L110 V111 R143 R145 P207C98-P108 HydrophobicContact CB-CG 4.34Å; C98-P108 WeakPolarHBondContact O-CD 3.33Å; P108-L110 VanDerWaalsContact C-N 3.34Å; P108-V111 HydrophobicContact CB-CG2 4.04Å; P108-V111 HydrophobicContact CG-CG2 3.54Å; P108-R143 CarbonylContact C-O 3.5Å; P108-R143 WeakPolarHBondContact CA-O 3.48Å; P108-R145 HydrophobicContact CB-CB 3.97Å; P108-R145 HydrophobicContact CG-CB 4.1Å; P108-P207 VanDerWaalsContact O-CA 3.23Å; P108-P207 WeakPolarHBondContact O-CA 3.48Å; P108-P207 WeakPolarHBondContact O-CB 3.29Å
109D89.5Confident81.4Confident54 Ų5451.4 Ų51.429%0.28929%0.286SS..SBendtrans-78.1-28.5171.6-50.4-62.1000110.4V142 R143 R208 F209D109-V142 HydrophobicContact CB-CG1 4.06Å; D109-R143 PolarHBondContact N-O 3.25Å; D109-R143 IonicContact OD1-CZ 3Å; D109-R143 IonicContact OD1-NE 3.61Å; D109-R143 IonicContact OD1-NH2 2.77Å; D109-R143 PolarHBondContact OD1-NH2 3.09Å; D109-R143 WeakPolarHBondContact OD2-CB 3.39Å; D109-R143 IonicContact OD2-CZ 3.46Å; D109-R143 PolarHBondContact OD2-N 2.77Å; D109-R143 IonicContact OD2-NE 2.73Å; D109-R143 PolarHBondContact OD2-NE 3.01Å; D109-R143 VanDerWaalsContact OD2-NE 3.12Å; D109-R143 IonicContact OD2-NH2 3.22Å; D109-R208 PolarHBondContact O-N 3.44Å; D109-R208 VanDerWaalsContact O-N 3.08Å; D109-F209 PolarHBondContact O-N 2.84Å
110L94.8Very high82.6Confident1 Ų148.5 Ų48.51%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-134.3129.6179.1173.663.1000110.6P108 I112 F137 V142 R143 T144 R145 F209 L224 L225 L228P108-L110 VanDerWaalsContact C-N 3.34Å; L110-I112 HydrophobicContact CD1-CG1 4.36Å; L110-I112 HydrophobicContact CD2-CD1 4.1Å; L110-I112 HydrophobicContact CD2-CG1 4.13Å; L110-I112 HydrophobicContact CG-CD1 4.5Å; L110-I112 HydrophobicContact CG-CG1 3.99Å; L110-F137 HydrophobicContact CD2-CD1 4.18Å; L110-F137 HydrophobicContact CD2-CE1 3.92Å; L110-V142 HydrophobicContact CB-CG1 4.24Å; L110-R143 PolarHBondContact N-O 2.81Å; L110-T144 HydrophobicContact CB-CG2 4.43Å; L110-T144 HydrophobicContact CD2-CG2 4.16Å; L110-T144 HydrophobicContact CG-CG2 4.17Å; L110-T144 VanDerWaalsContact O-CA 3.29Å; L110-T144 WeakPolarHBondContact O-CA 2.75Å; L110-R145 PolarHBondContact O-N 2.84Å; L110-F209 WeakPolarHBondContact CA-O 3.27Å; L110-F209 HydrophobicContact CD1-CB 4.02Å; L110-L224 HydrophobicContact CD2-CD2 3.87Å; L110-L225 HydrophobicContact CD2-CD2 4.21Å; L110-L228 HydrophobicContact CD1-CD1 4.12Å; L110-L228 HydrophobicContact CD2-CD1 4.28Å
111V96.1Very high84.2Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-113.7128.6168.7-176.60000109.5P108 F113 R145 L147 C204 P207 F209 L210 T211P108-V111 HydrophobicContact CB-CG2 4.04Å; P108-V111 HydrophobicContact CG-CG2 3.54Å; V111-F113 HydrophobicContact CB-CE2 4.29Å; V111-F113 HydrophobicContact CG1-CD1 4.42Å; V111-F113 HydrophobicContact CG1-CD2 4.14Å; V111-F113 HydrophobicContact CG1-CE1 3.98Å; V111-F113 HydrophobicContact CG1-CE2 3.63Å; V111-F113 HydrophobicContact CG1-CZ 3.56Å; V111-R145 CarbonylContact C-O 3.46Å; V111-R145 WeakPolarHBondContact CA-O 3.23Å; V111-R145 HydrophobicContact CG2-CB 4.37Å; V111-L147 HydrophobicContact CG1-CD1 4.4Å; V111-C204 HydrophobicContact CG2-CB 4.49Å; V111-P207 HydrophobicContact CG2-CB 3.81Å; V111-P207 HydrophobicContact CG2-CG 3.78Å; V111-F209 PolarHBondContact N-O 2.96Å; V111-F209 VanDerWaalsContact N-O 3.16Å; V111-L210 HydrophobicContact CB-CD2 3.9Å; V111-L210 HydrophobicContact CG2-CD2 4.46Å; V111-L210 CarbonylContact O-C 3.43Å; V111-L210 VanDerWaalsContact O-CA 3.29Å; V111-L210 WeakPolarHBondContact O-CA 3.43Å; V111-T211 PolarHBondContact O-N 3.49Å
112I97.7Very high86.1Confident0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans-111115.8177.3-51-179.8000108.2L110 V114 W131 F137 T144 R145 I146 L147 T211 I213 L219L110-I112 HydrophobicContact CD1-CG1 4.36Å; L110-I112 HydrophobicContact CD2-CD1 4.1Å; L110-I112 HydrophobicContact CD2-CG1 4.13Å; L110-I112 HydrophobicContact CG-CD1 4.5Å; L110-I112 HydrophobicContact CG-CG1 3.99Å; I112-V114 HydrophobicContact CG2-CG2 4.32Å; I112-W131 HydrophobicContact CD1-CZ3 4.49Å; I112-W131 HydrophobicContact CG2-CZ3 4.23Å; I112-F137 HydrophobicContact CD1-CE1 4.13Å; I112-F137 HydrophobicContact CD1-CE2 4.32Å; I112-F137 HydrophobicContact CD1-CZ 3.62Å; I112-T144 HydrophobicContact CD1-CG2 3.9Å; I112-T144 HydrophobicContact CG1-CG2 4.02Å; I112-R145 PolarHBondContact N-O 3.29Å; I112-I146 HydrophobicContact CB-CG1 4.01Å; I112-I146 HydrophobicContact CD1-CG1 4.21Å; I112-I146 HydrophobicContact CG1-CG1 4.38Å; I112-I146 WeakPolarHBondContact O-CA 3.12Å; I112-L147 PolarHBondContact O-N 2.58Å; I112-T211 CarbonylContact C-O 3.51Å; I112-T211 WeakPolarHBondContact CA-O 3.37Å; I112-T211 HydrophobicContact CG2-CG2 4.3Å; I112-I213 HydrophobicContact CG2-CG2 3.59Å; I112-L219 HydrophobicContact CD1-CD2 3.77Å
113F98.3Very high88.1Confident0 Ų041.2 Ų41.20%022%0.223CC..EExtended strand (participates in β ladder)trans-95.7110173.7-65.3-72.1000109.2V111 L147 I149 T196 F199 A200 L210 T211 L212 I213V111-F113 HydrophobicContact CB-CE2 4.29Å; V111-F113 HydrophobicContact CG1-CD1 4.42Å; V111-F113 HydrophobicContact CG1-CD2 4.14Å; V111-F113 HydrophobicContact CG1-CE1 3.98Å; V111-F113 HydrophobicContact CG1-CE2 3.63Å; V111-F113 HydrophobicContact CG1-CZ 3.56Å; F113-L147 WeakPolarHBondContact CA-O 3.07Å; F113-L147 HydrophobicContact CD1-CB 3.99Å; F113-L147 HydrophobicContact CD1-CD1 4.31Å; F113-L147 HydrophobicContact CE1-CB 4.22Å; F113-L147 HydrophobicContact CE1-CD1 3.69Å; F113-L147 HydrophobicContact CZ-CD1 4.48Å; F113-I149 HydrophobicContact CB-CG1 4.06Å; F113-I149 HydrophobicContact CD1-CD1 3.66Å; F113-I149 HydrophobicContact CD1-CG1 3.97Å; F113-I149 HydrophobicContact CE1-CD1 4.26Å; F113-I149 HydrophobicContact CG-CG1 4.45Å; F113-T196 HydrophobicContact CB-CG2 3.65Å; F113-T196 HydrophobicContact CD1-CG2 3.78Å; F113-T196 HydrophobicContact CD2-CG2 3.69Å; F113-T196 HydrophobicContact CE1-CG2 4.28Å; F113-T196 HydrophobicContact CE2-CG2 4.23Å; F113-T196 HydrophobicContact CG-CG2 3.42Å; F113-T196 VanDerWaalsContact CG-CG2 3.42Å; F113-T196 HydrophobicContact CZ-CG2 4.49Å; F113-F199 AromaticContact CE1-CD1 3.93Å; F113-F199 HydrophobicContact CE1-CD1 3.93Å; F113-F199 HydrophobicContact CE1-CE1 4.27Å; F113-F199 HydrophobicContact CZ-CD1 4.26Å; F113-A200 HydrophobicContact CE2-CB 3.55Å; F113-A200 HydrophobicContact CZ-CB 3.6Å; F113-L210 HydrophobicContact CE2-CD1 4.38Å; F113-L210 HydrophobicContact CE2-CD2 4.09Å; F113-T211 PolarHBondContact N-O 3.28Å; F113-L212 HydrophobicContact CB-CD2 3.88Å; F113-L212 HydrophobicContact CD2-CD2 3.97Å; F113-L212 HydrophobicContact CG-CD2 4.33Å; F113-L212 WeakPolarHBondContact O-CA 3.42Å; F113-I213 PolarHBondContact O-N 2.87Å
114V98.5Very high90Very high0 Ų035.5 Ų35.50%020%0.196CC..EExtended strand (participates in β ladder)trans-89.5108.6176.7-173.20000108.6I112 S116 I127 W131 I146 L147 F148 I149 I213 D215I112-V114 HydrophobicContact CG2-CG2 4.32Å; V114-S116 PolarHBondContact O-N 2.86Å; V114-I127 HydrophobicContact CG1-CD1 3.87Å; V114-W131 HydrophobicContact CG2-CH2 3.86Å; V114-I146 HydrophobicContact CG2-CG2 3.79Å; V114-L147 PolarHBondContact N-O 3.49Å; V114-F148 HydrophobicContact CB-CD1 3.61Å; V114-F148 HydrophobicContact CB-CE1 3.91Å; V114-F148 HydrophobicContact CB-CG 4.5Å; V114-F148 HydrophobicContact CG1-CD1 3.77Å; V114-F148 HydrophobicContact CG1-CE1 3.87Å; V114-F148 HydrophobicContact CG2-CD1 4.2Å; V114-F148 HydrophobicContact CG2-CE1 4.08Å; V114-F148 WeakPolarHBondContact O-CA 3.13Å; V114-I149 PolarHBondContact O-N 2.84Å; V114-I213 CarbonylContact C-O 3.56Å; V114-I213 VanDerWaalsContact CA-O 3.27Å; V114-I213 WeakPolarHBondContact CA-O 3.41Å; V114-I213 HydrophobicContact CB-CG2 4.4Å; V114-I213 HydrophobicContact CG2-CG2 3.92Å; V114-D215 HydrophobicContact CG1-CB 3.81Å
115K98.5Very high92Very high13 Ų1332.6 Ų32.66%0.05717%0.173CC..EExtended strand (participates in β ladder)trans-70.8107172.5-64.5176.1-73.2146.40108K192 I213 D214 D215 E302K115-K192 HydrophobicContact CB-CD 4.17Å; K115-K192 HydrophobicContact CG-CD 4.19Å; K115-I213 PolarHBondContact N-O 3.17Å; K115-D214 WeakPolarHBondContact CB-OD1 3.24Å; K115-D214 WeakPolarHBondContact CE-OD1 3.45Å; K115-D214 IonicContact NZ-OD1 2.95Å; K115-D214 PolarHBondContact NZ-OD1 3.3Å; K115-D214 IonicContact NZ-OD2 2.71Å; K115-D214 PolarHBondContact NZ-OD2 2.79Å; K115-D214 VanDerWaalsContact NZ-OD2 3.08Å; K115-D215 PolarHBondContact O-N 3.25Å; K115-E302 WeakPolarHBondContact CE-OE1 3.47Å; K115-E302 IonicContact NZ-OE1 3.12Å; K115-E302 PolarHBondContact NZ-OE1 2.82Å
116S98Very high93.7Very high3 Ų325.9 Ų25.92%0.02114%0.137CC..  trans-121.4169.9-177.6-173.10000111.1V114 R124 I149 L150 K192 D215V114-S116 PolarHBondContact O-N 2.86Å; S116-R124 WeakPolarHBondContact OG-CG 3.21Å; S116-R124 PolarHBondContact OG-NH1 2.9Å; S116-I149 PolarHBondContact N-O 2.71Å; S116-L150 WeakPolarHBondContact O-CD2 3.19Å; S116-K192 PolarHBondContact O-NZ 3.41Å; S116-D215 WeakPolarHBondContact CA-OD2 3.31Å; S116-D215 WeakPolarHBondContact CB-OD2 3.42Å; S116-D215 PolarHBondContact OG-OD2 3.03Å
117A97.2Very high95Very high28 Ų2825.6 Ų25.623%0.23113%0.134CC..  trans-111.4154.2174.700000111.7L119 H120 R124 D215A117-L119 PolarHBondContact O-N 2.87Å; A117-H120 WeakPolarHBondContact O-CB 3.34Å; A117-H120 PolarHBondContact O-N 2.84Å; A117-R124 PolarHBondContact O-NH1 3.19Å; A117-D215 PolarHBondContact N-OD2 3.33Å
118L97.8Very high95.8Very high17 Ų1725.8 Ų25.89%0.08913%0.131CC..THydrogen-bonded Turntrans-48-43-174.5-73.3164.1000114.1F121 R124 G151 P153 T163 V167 E184L118-F121 VanDerWaalsContact O-CE2 3.22Å; L118-F121 WeakPolarHBondContact O-CE2 2.97Å; L118-F121 VanDerWaalsContact O-CZ 3.32Å; L118-F121 WeakPolarHBondContact O-CZ 3.35Å; L118-R124 PolarHBondContact O-NH2 2.74Å; L118-G151 WeakPolarHBondContact CD2-O 3.43Å; L118-P153 HydrophobicContact CD1-CB 4.31Å; L118-P153 HydrophobicContact CD1-CG 3.96Å; L118-T163 HydrophobicContact CB-CG2 3.92Å; L118-T163 HydrophobicContact CD1-CG2 4.48Å; L118-V167 HydrophobicContact CD2-CG2 3.84Å; L118-E184 HydrophobicContact CD1-CB 3.67Å; L118-E184 HydrophobicContact CD1-CG 4.05Å; L118-E184 HydrophobicContact CG-CB 4.12Å; L118-E184 HydrophobicContact CG-CG 4.06Å
119L96.5Very high95.9Very high122 Ų12230.3 Ų30.364%0.63915%0.152SC*.THydrogen-bonded Turntrans-88.3-4-175.5-59.7179.9000114.6A117 F121 T163A117-L119 PolarHBondContact O-N 2.87Å; L119-F121 HydrophobicContact CD2-CE2 4.37Å; L119-F121 PolarHBondContact O-N 3.01Å; L119-T163 HydrophobicContact CD2-CG2 3.81Å
120H97Very high96Very high74 Ų7427.8 Ų27.834%0.34314%0.139SC..  trans-80.243.9-178-68.3-172.5000112.8A117 E122 L123 R124 D215A117-H120 WeakPolarHBondContact O-CB 3.34Å; A117-H120 PolarHBondContact O-N 2.84Å; H120-E122 PolarHBondContact O-N 3.45Å; H120-L123 HydrophobicContact CB-CB 4.18Å; H120-L123 HydrophobicContact CB-CD1 4.06Å; H120-L123 HydrophobicContact CB-CG 4.47Å; H120-L123 PolarHBondContact O-N 3.36Å; H120-R124 WeakPolarHBondContact O-CG 3.43Å; H120-R124 PolarHBondContact O-N 2.79Å; H120-R124 VanDerWaalsContact O-N 3.08Å; H120-R124 PolarHBondContact O-NH1 3.27Å; H120-D215 VanDerWaalsContact CB-OD2 3.32Å; H120-D215 WeakPolarHBondContact CB-OD2 3.32Å; H120-D215 IonicContact CE1-OD1 3.79Å; H120-D215 IonicContact CE1-OD2 2.65Å; H120-D215 IonicContact CG-OD2 2.91Å; H120-D215 IonicContact ND1-OD1 3.85Å; H120-D215 PolarHBondContact ND1-OD1 2.78Å; H120-D215 IonicContact ND1-OD2 2.7Å; H120-D215 PolarHBondContact ND1-OD2 3.1Å
121F97Very high95.9Very high35 Ų3527.8 Ų27.815%0.15414%0.138CC..Hα-helixtrans-59.5-44.9-178.2-66-80.8000112.3L118 L119 R124 N125 M166 V167 E170L118-F121 VanDerWaalsContact O-CE2 3.22Å; L118-F121 WeakPolarHBondContact O-CE2 2.97Å; L118-F121 VanDerWaalsContact O-CZ 3.32Å; L118-F121 WeakPolarHBondContact O-CZ 3.35Å; L119-F121 HydrophobicContact CD2-CE2 4.37Å; L119-F121 PolarHBondContact O-N 3.01Å; F121-R124 PolarHBondContact O-N 2.81Å; F121-N125 WeakPolarHBondContact O-CB 3.18Å; F121-N125 PolarHBondContact O-N 3.37Å; F121-M166 HydrophobicContact CD2-CE 4.15Å; F121-M166 HydrophobicContact CE1-CB 4Å; F121-M166 HydrophobicContact CE2-CB 4.17Å; F121-M166 HydrophobicContact CE2-CE 3.82Å; F121-M166 HydrophobicContact CE2-SD 4.5Å; F121-M166 HydrophobicContact CZ-CB 3.5Å; F121-M166 HydrophobicContact CZ-CE 4.27Å; F121-V167 HydrophobicContact CE1-CG2 4.06Å; F121-V167 HydrophobicContact CZ-CG2 3.81Å; F121-E170 HydrophobicContact CD1-CB 4.3Å; F121-E170 HydrophobicContact CD1-CG 4.48Å; F121-E170 VanDerWaalsContact CD1-OE2 3.29Å; F121-E170 WeakPolarHBondContact CD1-OE2 3.46Å; F121-E170 HydrophobicContact CE1-CB 4.24Å; F121-E170 WeakPolarHBondContact CE1-OE2 3.36Å
122E95.4Very high95.8Very high104 Ų10428.3 Ų28.349%0.48614%0.143SC..Hα-helixtrans-68.8-41.5-180-68.7-56.8151.600112H120 R124 N125 N126 D345H120-E122 PolarHBondContact O-N 3.45Å; E122-R124 PolarHBondContact O-N 2.85Å; E122-N125 CarbonylContact O-C 3.33Å; E122-N125 WeakPolarHBondContact O-CB 3.12Å; E122-N125 PolarHBondContact O-N 2.73Å; E122-N125 VanDerWaalsContact O-N 3.11Å; E122-N126 WeakPolarHBondContact O-CB 3.33Å; E122-N126 PolarHBondContact O-N 3.41Å; E122-N126 PolarHBondContact O-ND2 3.08Å; E122-D345 HydrophobicContact CB-CB 4.3Å; E122-D345 VanDerWaalsContact CB-CG 3.41Å; E122-D345 WeakPolarHBondContact CB-OD1 3.45Å; E122-D345 WeakPolarHBondContact CB-OD2 3.37Å
123L95.6Very high95.5Very high8 Ų830.4 Ų30.44%0.04216%0.155CC..Hα-helixtrans-58.3-45.7173.5-67.2178.4000112.1H120 N125 N126 I127 Y342 D345H120-L123 HydrophobicContact CB-CB 4.18Å; H120-L123 HydrophobicContact CB-CD1 4.06Å; H120-L123 HydrophobicContact CB-CG 4.47Å; H120-L123 PolarHBondContact O-N 3.36Å; L123-N125 VanDerWaalsContact C-N 3.32Å; L123-N125 PolarHBondContact O-N 2.81Å; L123-N126 PolarHBondContact O-N 3.1Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 3.4Å; L123-Y342 WeakPolarHBondContact CD2-O 3.45Å; L123-D345 WeakPolarHBondContact CD2-OD1 3.19Å; L123-D345 VanDerWaalsContact CG-OD1 3.31Å; L123-D345 WeakPolarHBondContact CG-OD1 3.49Å; L123-D345 PolarHBondContact N-OD1 2.73Å
124R97.3Very high95Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-61.2-42.4174.6-66.2-169.2-70.4-81.76.8111.7S116 A117 L118 H120 F121 E122 N126 I127 R128 F148 E170S116-R124 WeakPolarHBondContact OG-CG 3.21Å; S116-R124 PolarHBondContact OG-NH1 2.9Å; A117-R124 PolarHBondContact O-NH1 3.19Å; L118-R124 PolarHBondContact O-NH2 2.74Å; H120-R124 WeakPolarHBondContact O-CG 3.43Å; H120-R124 PolarHBondContact O-N 2.79Å; H120-R124 VanDerWaalsContact O-N 3.08Å; H120-R124 PolarHBondContact O-NH1 3.27Å; F121-R124 PolarHBondContact O-N 2.81Å; E122-R124 PolarHBondContact O-N 2.85Å; R124-N126 VanDerWaalsContact C-N 3.35Å; R124-N126 PolarHBondContact O-N 2.84Å; R124-I127 PolarHBondContact O-N 3.45Å; R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.5Å; R124-F148 HydrophobicContact CB-CD1 4.03Å; R124-F148 HydrophobicContact CB-CE1 3.77Å; R124-F148 HydrophobicContact CB-CE2 4.36Å; R124-F148 HydrophobicContact CB-CG 4.42Å; R124-F148 HydrophobicContact CB-CZ 3.95Å; R124-F148 HydrophobicContact CG-CD1 3.44Å; R124-F148 VanDerWaalsContact CG-CD1 3.44Å; R124-F148 HydrophobicContact CG-CE1 3.65Å; R124-F148 HydrophobicContact CG-CG 3.94Å; R124-F148 HydrophobicContact CG-CZ 4.29Å; R124-E170 IonicContact CZ-OE1 3.47Å; R124-E170 IonicContact CZ-OE2 2.95Å; R124-E170 VanDerWaalsContact CZ-OE2 3.23Å; R124-E170 VanDerWaalsContact NE-CD 3.32Å; R124-E170 IonicContact NE-OE1 3.5Å; R124-E170 PolarHBondContact NE-OE1 2.93Å; R124-E170 IonicContact NE-OE2 3.54Å; R124-E170 PolarHBondContact NE-OE2 3.14Å; R124-E170 IonicContact NH2-OE1 2.69Å; R124-E170 IonicContact NH2-OE2 3.47Å; R124-E170 PolarHBondContact NH2-OE2 3.43Å
125N95.5Very high94.6Very high39 Ų3935.7 Ų35.721%0.20919%0.187CC..Hα-helixtrans-65.3-35.5176.9-16953.1000112.7F121 E122 L123 R128 Q129 Y174F121-N125 WeakPolarHBondContact O-CB 3.18Å; F121-N125 PolarHBondContact O-N 3.37Å; E122-N125 CarbonylContact O-C 3.33Å; E122-N125 WeakPolarHBondContact O-CB 3.12Å; E122-N125 PolarHBondContact O-N 2.73Å; E122-N125 VanDerWaalsContact O-N 3.11Å; L123-N125 VanDerWaalsContact C-N 3.32Å; L123-N125 PolarHBondContact O-N 2.81Å; N125-R128 PolarHBondContact O-N 2.75Å; N125-Q129 PolarHBondContact ND2-NE2 3.37Å; N125-Q129 WeakPolarHBondContact O-CG 3.43Å; N125-Q129 PolarHBondContact O-N 3.19Å; N125-Q129 VanDerWaalsContact O-N 3.16Å; N125-Q129 PolarHBondContact O-NE2 3.45Å; N125-Y174 PolarHBondContact OD1-OH 3.23Å
126N93.3Very high94.2Very high9 Ų935.1 Ų35.15%0.04818%0.184CC..Hα-helixtrans-68.1-41.6174.6-71.2-25.6000111.4E122 L123 R124 Q129 S130 D345 L349E122-N126 WeakPolarHBondContact O-CB 3.33Å; E122-N126 PolarHBondContact O-N 3.41Å; E122-N126 PolarHBondContact O-ND2 3.08Å; L123-N126 PolarHBondContact O-N 3.1Å; R124-N126 VanDerWaalsContact C-N 3.35Å; R124-N126 PolarHBondContact O-N 2.84Å; N126-Q129 PolarHBondContact O-N 3.43Å; N126-S130 WeakPolarHBondContact O-CB 3.32Å; N126-S130 PolarHBondContact O-N 3.14Å; N126-S130 VanDerWaalsContact O-N 3.11Å; N126-S130 PolarHBondContact O-OG 3.22Å; N126-D345 WeakPolarHBondContact ND2-CA 3.3Å; N126-D345 PolarHBondContact ND2-O 3.43Å; N126-L349 HydrophobicContact CB-CD2 4.41Å; N126-L349 HydrophobicContact CB-CG 4.2Å; N126-L349 WeakPolarHBondContact OD1-CD1 3.32Å; N126-L349 WeakPolarHBondContact OD1-CG 3.34Å
127I94.9Very high93.9Very high2 Ų235 Ų351%0.0118%0.183CC..Hα-helixtrans-60.3-48173.8-70.2168.8000110.1V114 L123 R124 Q129 S130 W131 G132 F148 D215V114-I127 HydrophobicContact CG1-CD1 3.87Å; L123-I127 WeakPolarHBondContact O-CG1 3.32Å; L123-I127 PolarHBondContact O-N 3.4Å; R124-I127 PolarHBondContact O-N 3.45Å; I127-Q129 PolarHBondContact O-N 3.24Å; I127-S130 PolarHBondContact O-N 3.43Å; I127-S130 VanDerWaalsContact O-N 3.08Å; I127-S130 PolarHBondContact O-OG 2.77Å; I127-W131 HydrophobicContact CB-CZ2 4.33Å; I127-W131 HydrophobicContact CD1-CZ2 3.85Å; I127-W131 HydrophobicContact CG1-CZ2 3.8Å; I127-W131 HydrophobicContact CG2-CD2 4.27Å; I127-W131 HydrophobicContact CG2-CE3 4.49Å; I127-W131 HydrophobicContact CG2-CH2 3.88Å; I127-W131 HydrophobicContact CG2-CZ2 3.61Å; I127-W131 HydrophobicContact CG2-CZ3 4.3Å; I127-G132 CarbonylContact O-C 3.58Å; I127-G132 WeakPolarHBondContact O-CA 3.39Å; I127-G132 PolarHBondContact O-N 3.23Å; I127-F148 HydrophobicContact CB-CE1 4.18Å; I127-F148 HydrophobicContact CB-CZ 4.13Å; I127-F148 HydrophobicContact CD1-CE1 4.09Å; I127-F148 HydrophobicContact CG2-CE1 4.02Å; I127-F148 HydrophobicContact CG2-CZ 3.88Å; I127-D215 HydrophobicContact CD1-CB 4Å
128R94.7Very high93.5Very high32 Ų3241.4 Ų41.412%0.12120%0.201CC..Hα-helixtrans-56.2-35.9176.7-71175.5-171.9109.8-3.1113.2R124 N125 F148 E170 D176R124-R128 WeakPolarHBondContact O-CG 3.48Å; R124-R128 PolarHBondContact O-N 3.5Å; N125-R128 PolarHBondContact O-N 2.75Å; R128-F148 HydrophobicContact CG-CE2 3.98Å; R128-F148 HydrophobicContact CG-CZ 4.09Å; R128-E170 IonicContact CZ-OE1 2.9Å; R128-E170 IonicContact NH1-OE1 3.89Å; R128-E170 PolarHBondContact NH1-OE1 3.11Å; R128-E170 IonicContact NH2-OE1 3.55Å; R128-E170 PolarHBondContact NH2-OE1 2.97Å; R128-D176 IonicContact CZ-OD1 3.36Å; R128-D176 IonicContact CZ-OD2 3.23Å; R128-D176 IonicContact NE-OD1 3.06Å; R128-D176 IonicContact NE-OD2 3.93Å; R128-D176 PolarHBondContact NE-OD2 3.06Å; R128-D176 IonicContact NH2-OD1 2.95Å; R128-D176 PolarHBondContact NH2-OD1 3.02Å; R128-D176 IonicContact NH2-OD2 2.76Å; R128-D176 PolarHBondContact NH2-OD2 3.31Å
129Q91Very high92.9Very high96 Ų9644.8 Ų44.845%0.44922%0.216SC..THydrogen-bonded Turntrans-87.2-3.4-179-71.5174.489.500114.3N125 N126 I127 L349N125-Q129 PolarHBondContact ND2-NE2 3.37Å; N125-Q129 WeakPolarHBondContact O-CG 3.43Å; N125-Q129 PolarHBondContact O-N 3.19Å; N125-Q129 VanDerWaalsContact O-N 3.16Å; N125-Q129 PolarHBondContact O-NE2 3.45Å; N126-Q129 PolarHBondContact O-N 3.43Å; I127-Q129 PolarHBondContact O-N 3.24Å; Q129-L349 HydrophobicContact CB-CD2 4.19Å
130S91.5Very high92.6Very high1 Ų143 Ų431%0.00720%0.204CC..THydrogen-bonded Turntrans-127.4-124.1-17662.60000111.2N126 I127 G132 N133 C136N126-S130 WeakPolarHBondContact O-CB 3.32Å; N126-S130 PolarHBondContact O-N 3.14Å; N126-S130 VanDerWaalsContact O-N 3.11Å; N126-S130 PolarHBondContact O-OG 3.22Å; I127-S130 PolarHBondContact O-N 3.43Å; I127-S130 VanDerWaalsContact O-N 3.08Å; I127-S130 PolarHBondContact O-OG 2.77Å; S130-G132 PolarHBondContact O-N 2.94Å; S130-G132 VanDerWaalsContact O-N 3.12Å; S130-N133 WeakPolarHBondContact O-CB 3.47Å; S130-N133 PolarHBondContact O-N 2.9Å; S130-N133 VanDerWaalsContact O-N 3.09Å; S130-C136 PolarHBondContact O-SG 3.41Å; S130-C136 VanDerWaalsContact O-SG 3.42Å
131W92.3Very high92.2Very high1 Ų142.5 Ų42.50%0.00422%0.218CC..THydrogen-bonded Turntrans-61.4-22.1-177.665.5-96.4000113.4I112 V114 I127 N133 I213 F217 L219 P221 W352I112-W131 HydrophobicContact CD1-CZ3 4.49Å; I112-W131 HydrophobicContact CG2-CZ3 4.23Å; V114-W131 HydrophobicContact CG2-CH2 3.86Å; I127-W131 HydrophobicContact CB-CZ2 4.33Å; I127-W131 HydrophobicContact CD1-CZ2 3.85Å; I127-W131 HydrophobicContact CG1-CZ2 3.8Å; I127-W131 HydrophobicContact CG2-CD2 4.27Å; I127-W131 HydrophobicContact CG2-CE3 4.49Å; I127-W131 HydrophobicContact CG2-CH2 3.88Å; I127-W131 HydrophobicContact CG2-CZ2 3.61Å; I127-W131 HydrophobicContact CG2-CZ3 4.3Å; W131-N133 VanDerWaalsContact C-N 3.27Å; W131-N133 PolarHBondContact O-N 3.35Å; W131-I213 HydrophobicContact CH2-CD1 4.14Å; W131-I213 HydrophobicContact CH2-CG2 3.81Å; W131-I213 HydrophobicContact CZ2-CD1 4.3Å; W131-F217 PolarHBondContact NE1-O 2.98Å; W131-L219 HydrophobicContact CB-CB 4.43Å; W131-L219 WeakPolarHBondContact CB-O 3.35Å; W131-L219 HydrophobicContact CD2-CB 3.67Å; W131-L219 HydrophobicContact CE3-CB 3.56Å; W131-L219 HydrophobicContact CE3-CD2 3.77Å; W131-L219 HydrophobicContact CE3-CG 4.33Å; W131-L219 HydrophobicContact CG-CB 4.09Å; W131-L219 HydrophobicContact CZ3-CB 4.03Å; W131-L219 HydrophobicContact CZ3-CD2 3.88Å; W131-P221 HydrophobicContact CB-CG 4.32Å; W131-W352 HydrophobicContact CB-CE3 4.18Å; W131-W352 HydrophobicContact CB-CH2 3.8Å; W131-W352 HydrophobicContact CB-CZ3 3.54Å
132G93.9Very high92Very high10 Ų1042.4 Ų42.410%0.10322%0.22CC..THydrogen-bonded Turntrans-83.35.2178.500000114.5I127 S130 I146I127-G132 CarbonylContact O-C 3.58Å; I127-G132 WeakPolarHBondContact O-CA 3.39Å; I127-G132 PolarHBondContact O-N 3.23Å; S130-G132 PolarHBondContact O-N 2.94Å; S130-G132 VanDerWaalsContact O-N 3.12Å; G132-I146 VanDerWaalsContact C-CD1 3.41Å; G132-I146 VanDerWaalsContact CA-CD1 3.41Å; G132-I146 WeakPolarHBondContact O-CD1 3.09Å
133N91.5Very high91.7Very high44 Ų4441.9 Ų41.924%0.23521%0.214CC..  trans-75.4125169.5-173.9-26.1000110S130 W131 N135 C136S130-N133 WeakPolarHBondContact O-CB 3.47Å; S130-N133 PolarHBondContact O-N 2.9Å; S130-N133 VanDerWaalsContact O-N 3.09Å; W131-N133 VanDerWaalsContact C-N 3.27Å; W131-N133 PolarHBondContact O-N 3.35Å; N133-N135 PolarHBondContact O-N 3.46Å; N133-N135 WeakPolarHBondContact OD1-CB 3.14Å; N133-N135 PolarHBondContact OD1-N 3.29Å; N133-C136 VanDerWaalsContact O-CB 3.28Å; N133-C136 WeakPolarHBondContact O-CB 3.31Å; N133-C136 PolarHBondContact O-N 3.41Å; N133-C136 PolarHBondContact O-SG 2.95Å
134S88.3Confident91.6Very high44 Ų4442 Ų4231%0.30822%0.215SC..THydrogen-bonded Turntrans-56.5-25.4178.770.50000114.1C136 F137 R138S134-C136 PolarHBondContact O-N 2.03Å; S134-F137 PolarHBondContact O-N 2.83Å; S134-F137 VanDerWaalsContact O-N 3.14Å; S134-R138 PolarHBondContact O-N 2.79Å; S134-R138 VanDerWaalsContact O-N 3.11Å
135N89.1Confident91.4Very high68 Ų6844.3 Ų44.336%0.36422%0.224SC..Hα-helixtrans-63.8-29.2177.2-68.4-13.1000112.6N133 F137 R138 H139 C361N133-N135 PolarHBondContact O-N 3.46Å; N133-N135 WeakPolarHBondContact OD1-CB 3.14Å; N133-N135 PolarHBondContact OD1-N 3.29Å; N135-F137 PolarHBondContact O-N 2.93Å; N135-R138 PolarHBondContact O-N 3.08Å; N135-H139 PolarHBondContact O-N 3.08Å; N135-C361 VanDerWaalsContact CB-O 3.27Å; N135-C361 WeakPolarHBondContact CB-O 3.46Å
136C90.6Very high91.4Very high0 Ų043.1 Ų43.10%022%0.217CC..Hα-helixtrans-59.5-20.2175.2-52.40000113.8S130 N133 S134 P221 C361S130-C136 PolarHBondContact O-SG 3.41Å; S130-C136 VanDerWaalsContact O-SG 3.42Å; N133-C136 VanDerWaalsContact O-CB 3.28Å; N133-C136 WeakPolarHBondContact O-CB 3.31Å; N133-C136 PolarHBondContact O-N 3.41Å; N133-C136 PolarHBondContact O-SG 2.95Å; S134-C136 PolarHBondContact O-N 2.03Å; C136-P221 HydrophobicContact CB-CB 3.93Å; C136-P221 HydrophobicContact CB-CG 3.7Å; C136-C361 HydrophobicContact CB-CB 4.01Å; C136-C361 WeakPolarHBondContact CB-SG 3.36Å; C136-C361 WeakPolarHBondContact SG-CB 3.31Å; C136-C361 CovalentContact SG-SG 2.03Å; C136-C361 PolarHBondContact SG-SG 2.78Å
137F92.7Very high91.5Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-106.2-36.4179.4-59.6-92.3000112.1L110 I112 S134 N135 H139 F140 V142 T144 I146 L219 P221 L224 L225L110-F137 HydrophobicContact CD2-CD1 4.18Å; L110-F137 HydrophobicContact CD2-CE1 3.92Å; I112-F137 HydrophobicContact CD1-CE1 4.13Å; I112-F137 HydrophobicContact CD1-CE2 4.32Å; I112-F137 HydrophobicContact CD1-CZ 3.62Å; S134-F137 PolarHBondContact O-N 2.83Å; S134-F137 VanDerWaalsContact O-N 3.14Å; N135-F137 PolarHBondContact O-N 2.93Å; F137-H139 PolarHBondContact O-N 2.65Å; F137-F140 PolarHBondContact O-N 2.65Å; F137-V142 CarbonylContact C-O 3.36Å; F137-V142 HydrophobicContact CB-CB 4.5Å; F137-V142 PolarHBondContact O-N 2.82Å; F137-T144 WeakPolarHBondContact CB-OG1 3.48Å; F137-T144 HydrophobicContact CD1-CG2 4.34Å; F137-T144 WeakPolarHBondContact CD1-OG1 3.32Å; F137-T144 HydrophobicContact CD2-CG2 4.02Å; F137-T144 HydrophobicContact CE1-CG2 4.44Å; F137-T144 HydrophobicContact CE2-CG2 4.13Å; F137-T144 HydrophobicContact CG-CG2 4.13Å; F137-T144 WeakPolarHBondContact CG-OG1 3.5Å; F137-T144 HydrophobicContact CZ-CG2 4.33Å; F137-I146 HydrophobicContact CE2-CD1 4.33Å; F137-L219 HydrophobicContact CZ-CD2 4.08Å; F137-P221 HydrophobicContact CD1-CB 4.18Å; F137-P221 HydrophobicContact CE1-CB 3.81Å; F137-P221 HydrophobicContact CE1-CG 4.48Å; F137-P221 HydrophobicContact CE2-CB 4.2Å; F137-P221 HydrophobicContact CE2-CG 4.23Å; F137-P221 HydrophobicContact CZ-CB 3.82Å; F137-P221 HydrophobicContact CZ-CG 4Å; F137-L224 HydrophobicContact CE1-CD2 4.36Å; F137-L225 HydrophobicContact CD1-CD1 4.04Å; F137-L225 HydrophobicContact CD1-CD2 4.03Å; F137-L225 HydrophobicContact CD1-CG 4.11Å
138R88.6Confident91.7Very high164 Ų16442.6 Ų42.662%0.61922%0.215SC*.Hα-helixtrans-56.3-35.7-178.8-167.6-174.2-58-99.3-4.4112.3S134 N135 F140 G141 V142S134-R138 PolarHBondContact O-N 2.79Å; S134-R138 VanDerWaalsContact O-N 3.11Å; N135-R138 PolarHBondContact O-N 3.08Å; R138-F140 PolarHBondContact O-N 3.01Å; R138-G141 PolarHBondContact O-N 2.91Å; R138-V142 PolarHBondContact N-O 3.18Å
139H84.1Confident91.9Very high88 Ų8841.1 Ų41.141%0.40721%0.209SC..THydrogen-bonded Turntrans-55.6-32.3175-174.177.6000113.3N135 F137 G141 R363N135-H139 PolarHBondContact O-N 3.08Å; F137-H139 PolarHBondContact O-N 2.65Å; H139-G141 VanDerWaalsContact C-N 3.32Å; H139-R363 PolarHBondContact ND1-OXT 3.06Å
140F89.6Confident92.3Very high85 Ų8536.5 Ų36.537%0.37319%0.188SC..THydrogen-bonded Turntrans-92.711.9178.2-61.4-82.4000112.9F137 R138 V142 S222 L225 V360F137-F140 PolarHBondContact O-N 2.65Å; R138-F140 PolarHBondContact O-N 3.01Å; F140-V142 PolarHBondContact O-N 2.75Å; F140-S222 VanDerWaalsContact CZ-OG 3.31Å; F140-S222 WeakPolarHBondContact CZ-OG 2.88Å; F140-L225 HydrophobicContact CB-CD1 3.51Å; F140-L225 HydrophobicContact CD2-CD1 3.82Å; F140-L225 HydrophobicContact CG-CD1 3.82Å; F140-V360 HydrophobicContact CE2-CG1 3.57Å; F140-V360 HydrophobicContact CZ-CG1 3.93Å
141G89.9Confident92.6Very high63 Ų6336.5 Ų36.565%0.64919%0.187SC*.THydrogen-bonded Turntrans72.313.2-177.900000114.4R138 H139R138-G141 PolarHBondContact O-N 2.91Å; H139-G141 VanDerWaalsContact C-N 3.32Å
142V91.9Very high92.9Very high32 Ų3238.9 Ų38.919%0.19420%0.196CC..  trans-101.5122.2-178.5-179.10000109.9D109 L110 F137 R138 F140 T144 L225D109-V142 HydrophobicContact CB-CG1 4.06Å; L110-V142 HydrophobicContact CB-CG1 4.24Å; F137-V142 CarbonylContact C-O 3.36Å; F137-V142 HydrophobicContact CB-CB 4.5Å; F137-V142 PolarHBondContact O-N 2.82Å; R138-V142 PolarHBondContact N-O 3.18Å; F140-V142 PolarHBondContact O-N 2.75Å; V142-T144 PolarHBondContact O-N 3Å; V142-L225 HydrophobicContact CB-CD1 4.04Å; V142-L225 HydrophobicContact CB-CD2 4.12Å; V142-L225 HydrophobicContact CG1-CD2 3.88Å; V142-L225 HydrophobicContact CG2-CD1 3.82Å; V142-L225 HydrophobicContact CG2-CD2 3.92Å; V142-L225 HydrophobicContact CG2-CG 4.43Å
143R90.3Very high93.1Very high93 Ų9339.1 Ų39.135%0.35120%0.196SC..  trans-82.9114.1173.7-61.8167.4-66.1171.77.6108.7L100 S107 P108 D109 L110L100-R143 HydrophobicContact CD1-CB 3.87Å; L100-R143 HydrophobicContact CD1-CG 4.17Å; S107-R143 PolarHBondContact O-NE 2.93Å; S107-R143 PolarHBondContact O-NH1 3.39Å; S107-R143 PolarHBondContact O-NH2 3.12Å; S107-R143 VanDerWaalsContact O-NH2 3.13Å; P108-R143 CarbonylContact C-O 3.5Å; P108-R143 WeakPolarHBondContact CA-O 3.48Å; D109-R143 PolarHBondContact N-O 3.25Å; D109-R143 IonicContact OD1-CZ 3Å; D109-R143 IonicContact OD1-NE 3.61Å; D109-R143 IonicContact OD1-NH2 2.77Å; D109-R143 PolarHBondContact OD1-NH2 3.09Å; D109-R143 WeakPolarHBondContact OD2-CB 3.39Å; D109-R143 IonicContact OD2-CZ 3.46Å; D109-R143 PolarHBondContact OD2-N 2.77Å; D109-R143 IonicContact OD2-NE 2.73Å; D109-R143 PolarHBondContact OD2-NE 3.01Å; D109-R143 VanDerWaalsContact OD2-NE 3.12Å; D109-R143 IonicContact OD2-NH2 3.22Å; L110-R143 PolarHBondContact N-O 2.81Å
144T92.3Very high93.3Very high11 Ų1139.4 Ų39.47%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-113.4137.3-178.4-58.20000111.2L110 I112 F137 V142 I146L110-T144 HydrophobicContact CB-CG2 4.43Å; L110-T144 HydrophobicContact CD2-CG2 4.16Å; L110-T144 HydrophobicContact CG-CG2 4.17Å; L110-T144 VanDerWaalsContact O-CA 3.29Å; L110-T144 WeakPolarHBondContact O-CA 2.75Å; I112-T144 HydrophobicContact CD1-CG2 3.9Å; I112-T144 HydrophobicContact CG1-CG2 4.02Å; F137-T144 WeakPolarHBondContact CB-OG1 3.48Å; F137-T144 HydrophobicContact CD1-CG2 4.34Å; F137-T144 WeakPolarHBondContact CD1-OG1 3.32Å; F137-T144 HydrophobicContact CD2-CG2 4.02Å; F137-T144 HydrophobicContact CE1-CG2 4.44Å; F137-T144 HydrophobicContact CE2-CG2 4.13Å; F137-T144 HydrophobicContact CG-CG2 4.13Å; F137-T144 WeakPolarHBondContact CG-OG1 3.5Å; F137-T144 HydrophobicContact CZ-CG2 4.33Å; V142-T144 PolarHBondContact O-N 3Å; T144-I146 HydrophobicContact CG2-CD1 4.49Å; T144-I146 HydrophobicContact CG2-CG1 4.11Å
145R92.7Very high93.7Very high48 Ų4840.1 Ų40.118%0.18121%0.214CC..EExtended strand (participates in β ladder)trans-113.3128.2167.4-177.959.6170.5141.4-12.9109.4S97 P108 L110 V111 I112 L147 N175S97-R145 PolarHBondContact O-NE 3.06Å; P108-R145 HydrophobicContact CB-CB 3.97Å; P108-R145 HydrophobicContact CG-CB 4.1Å; L110-R145 PolarHBondContact O-N 2.84Å; V111-R145 CarbonylContact C-O 3.46Å; V111-R145 WeakPolarHBondContact CA-O 3.23Å; V111-R145 HydrophobicContact CG2-CB 4.37Å; I112-R145 PolarHBondContact N-O 3.29Å; R145-L147 HydrophobicContact CG-CD1 4.4Å; R145-L147 HydrophobicContact CG-CD2 4.27Å; R145-L147 HydrophobicContact CG-CG 4.06Å; R145-N175 PolarHBondContact NH2-O 2.94Å
146I95.5Very high93.9Very high14 Ų1444 Ų447%0.07224%0.24CC..EExtended strand (participates in β ladder)trans-110.5131.1175.3-63.7156.6000108I112 V114 G132 F137 T144I112-I146 HydrophobicContact CB-CG1 4.01Å; I112-I146 HydrophobicContact CD1-CG1 4.21Å; I112-I146 HydrophobicContact CG1-CG1 4.38Å; I112-I146 WeakPolarHBondContact O-CA 3.12Å; V114-I146 HydrophobicContact CG2-CG2 3.79Å; G132-I146 VanDerWaalsContact C-CD1 3.41Å; G132-I146 VanDerWaalsContact CA-CD1 3.41Å; G132-I146 WeakPolarHBondContact O-CD1 3.09Å; F137-I146 HydrophobicContact CE2-CD1 4.33Å; T144-I146 HydrophobicContact CG2-CD1 4.49Å; T144-I146 HydrophobicContact CG2-CG1 4.11Å
147L97.2Very high94.1Very high0 Ų048.6 Ų48.60%027%0.265CS..EExtended strand (participates in β ladder)trans-131.8131.2-178.4-65.7175.2000110.1P94 V111 I112 F113 V114 R145 D176 V178 F199P94-L147 HydrophobicContact CG-CD2 3.68Å; V111-L147 HydrophobicContact CG1-CD1 4.4Å; I112-L147 PolarHBondContact O-N 2.58Å; F113-L147 WeakPolarHBondContact CA-O 3.07Å; F113-L147 HydrophobicContact CD1-CB 3.99Å; F113-L147 HydrophobicContact CD1-CD1 4.31Å; F113-L147 HydrophobicContact CE1-CB 4.22Å; F113-L147 HydrophobicContact CE1-CD1 3.69Å; F113-L147 HydrophobicContact CZ-CD1 4.48Å; V114-L147 PolarHBondContact N-O 3.49Å; R145-L147 HydrophobicContact CG-CD1 4.4Å; R145-L147 HydrophobicContact CG-CD2 4.27Å; R145-L147 HydrophobicContact CG-CG 4.06Å; L147-D176 CarbonylContact C-O 3.58Å; L147-D176 VanDerWaalsContact CA-O 3.31Å; L147-D176 WeakPolarHBondContact CA-O 3.41Å; L147-V178 HydrophobicContact CB-CG2 4.4Å; L147-V178 HydrophobicContact CD1-CG2 4.24Å; L147-V178 HydrophobicContact CD2-CG2 4.4Å; L147-F199 HydrophobicContact CD1-CE1 3.77Å
148F98.6Very high94.3Very high1 Ų149.9 Ų49.90%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-91.1124.4175.8-62.9-80.1000110.1V114 R124 I127 R128 D176 T177 V178V114-F148 HydrophobicContact CB-CD1 3.61Å; V114-F148 HydrophobicContact CB-CE1 3.91Å; V114-F148 HydrophobicContact CB-CG 4.5Å; V114-F148 HydrophobicContact CG1-CD1 3.77Å; V114-F148 HydrophobicContact CG1-CE1 3.87Å; V114-F148 HydrophobicContact CG2-CD1 4.2Å; V114-F148 HydrophobicContact CG2-CE1 4.08Å; V114-F148 WeakPolarHBondContact O-CA 3.13Å; R124-F148 HydrophobicContact CB-CD1 4.03Å; R124-F148 HydrophobicContact CB-CE1 3.77Å; R124-F148 HydrophobicContact CB-CE2 4.36Å; R124-F148 HydrophobicContact CB-CG 4.42Å; R124-F148 HydrophobicContact CB-CZ 3.95Å; R124-F148 HydrophobicContact CG-CD1 3.44Å; R124-F148 VanDerWaalsContact CG-CD1 3.44Å; R124-F148 HydrophobicContact CG-CE1 3.65Å; R124-F148 HydrophobicContact CG-CG 3.94Å; R124-F148 HydrophobicContact CG-CZ 4.29Å; I127-F148 HydrophobicContact CB-CE1 4.18Å; I127-F148 HydrophobicContact CB-CZ 4.13Å; I127-F148 HydrophobicContact CD1-CE1 4.09Å; I127-F148 HydrophobicContact CG2-CE1 4.02Å; I127-F148 HydrophobicContact CG2-CZ 3.88Å; R128-F148 HydrophobicContact CG-CE2 3.98Å; R128-F148 HydrophobicContact CG-CZ 4.09Å; F148-D176 HydrophobicContact CD2-CB 4.47Å; F148-D176 WeakPolarHBondContact CE2-OD2 3.41Å; F148-D176 PolarHBondContact N-O 2.76Å; F148-T177 WeakPolarHBondContact O-CA 3.37Å; F148-V178 PolarHBondContact O-N 3Å
149I98.7Very high94.6Very high0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-101.6122.6-176.7-55-53000110.9F113 V114 S116 V178 F180 K192 T196F113-I149 HydrophobicContact CB-CG1 4.06Å; F113-I149 HydrophobicContact CD1-CD1 3.66Å; F113-I149 HydrophobicContact CD1-CG1 3.97Å; F113-I149 HydrophobicContact CE1-CD1 4.26Å; F113-I149 HydrophobicContact CG-CG1 4.45Å; V114-I149 PolarHBondContact O-N 2.84Å; S116-I149 PolarHBondContact N-O 2.71Å; I149-V178 WeakPolarHBondContact CA-O 3.26Å; I149-V178 HydrophobicContact CD1-CB 3.74Å; I149-V178 HydrophobicContact CD1-CG1 4.39Å; I149-V178 HydrophobicContact CD1-CG2 4.2Å; I149-F180 HydrophobicContact CD1-CE2 4.36Å; I149-F180 HydrophobicContact CG2-CD2 4Å; I149-F180 HydrophobicContact CG2-CE2 3.78Å; I149-K192 HydrophobicContact CB-CG 4.5Å; I149-K192 HydrophobicContact CG2-CD 4.03Å; I149-K192 HydrophobicContact CG2-CG 3.61Å; I149-T196 HydrophobicContact CG1-CG2 4.21Å
150L98.7Very high95.2Very high0 Ų051.7 Ų51.70%028%0.283CS..EExtended strand (participates in β ladder)trans-127.8152.4-178.8-54.8-179.3000111.8S116 V167 T177 V178 Q179 F180S116-L150 WeakPolarHBondContact O-CD2 3.19Å; L150-V167 HydrophobicContact CD1-CG1 3.96Å; L150-V167 HydrophobicContact CD1-CG2 4.44Å; L150-T177 HydrophobicContact CD1-CG2 3.55Å; L150-T177 HydrophobicContact CG-CG2 4.03Å; L150-V178 PolarHBondContact N-O 2.84Å; L150-Q179 HydrophobicContact CB-CB 4.45Å; L150-Q179 HydrophobicContact CB-CG 4.21Å; L150-Q179 CarbonylContact O-C 3.58Å; L150-Q179 WeakPolarHBondContact O-CA 3.21Å; L150-F180 PolarHBondContact O-N 2.6Å
151G98.4Very high95.6Very high0 Ų048.7 Ų48.70%027%0.273CS..EExtended strand (participates in β ladder)trans-90.4-169159.500000112.2L118 Q179 F180 F182 E184L118-G151 WeakPolarHBondContact CD2-O 3.43Å; G151-Q179 WeakPolarHBondContact O-CG 3.33Å; G151-Q179 PolarHBondContact O-NE2 3.28Å; G151-F180 CarbonylContact C-O 3.49Å; G151-F182 CarbonylContact C-O 3.27Å; G151-F182 VanDerWaalsContact CA-CE2 3.49Å; G151-F182 WeakPolarHBondContact CA-O 3.2Å; G151-E184 PolarHBondContact N-OE2 3.29Å
152R98.1Very high95.9Very high51 Ų5150 Ų5019%0.19227%0.272CS..EExtended strand (participates in β ladder)trans-101.5158.2173.262.3159.1-176.999.8-4.5112.5W158 F180 D181 F182 E184R152-W158 HydrophobicContact CB-CD2 3.91Å; R152-W158 HydrophobicContact CB-CE3 3.87Å; R152-W158 HydrophobicContact CB-CG 4.48Å; R152-W158 HydrophobicContact CB-CH2 4.31Å; R152-W158 HydrophobicContact CB-CZ2 4.37Å; R152-W158 HydrophobicContact CB-CZ3 4.06Å; R152-W158 VanDerWaalsContact CD-NE1 3.29Å; R152-W158 HydrophobicContact CG-CD2 4.43Å; R152-F180 PolarHBondContact N-O 2.98Å; R152-D181 VanDerWaalsContact CD-O 3.3Å; R152-D181 WeakPolarHBondContact CD-O 3.42Å; R152-D181 WeakPolarHBondContact CG-O 3.5Å; R152-D181 PolarHBondContact NE-O 3.34Å; R152-F182 WeakPolarHBondContact CG-O 3.4Å; R152-F182 PolarHBondContact N-O 2.71Å; R152-E184 PolarHBondContact O-N 3.36Å
153P98Very high96.2Very high16 Ų1650.1 Ų50.110%0.10427%0.273CS..  trans-57149.6168.6-17.626.7000112L118 S155 W158 Q164L118-P153 HydrophobicContact CD1-CB 4.31Å; L118-P153 HydrophobicContact CD1-CG 3.96Å; P153-S155 VanDerWaalsContact C-N 3.34Å; P153-S155 PolarHBondContact O-N 2.95Å; P153-W158 HydrophobicContact CB-CB 3.75Å; P153-W158 HydrophobicContact CG-CB 4.01Å; P153-W158 WeakPolarHBondContact O-CB 3.5Å; P153-Q164 HydrophobicContact CG-CB 4.45Å
154G96.4Very high96.6Very high49 Ų4946.3 Ų46.351%0.50526%0.259SS..SBendtrans-74.9-15.8-174.800000115.6
155S95.8Very high96.9Very high60 Ų6048.3 Ų48.342%0.4227%0.274SS..SBendtrans-67.2152.6-179.658.90000112.3P153 D157 W158P153-S155 VanDerWaalsContact C-N 3.34Å; P153-S155 PolarHBondContact O-N 2.95Å; S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 PolarHBondContact O-N 2.91Å; S155-W158 WeakPolarHBondContact O-CB 3.31Å; S155-W158 VanDerWaalsContact O-CD1 3.31Å; S155-W158 PolarHBondContact O-N 3.27Å; S155-W158 WeakPolarHBondContact OG-CA 3.45Å; S155-W158 PolarHBondContact OG-N 2.93Å
156T93.3Very high97.2Very high148 Ų14850.4 Ų50.491%0.90829%0.286SS*.THydrogen-bonded Turntrans-62.3-41.2177-49.10000111.4W158T156-W158 VanDerWaalsContact C-N 3.31Å; T156-W158 PolarHBondContact O-N 2.65Å
157D94.9Very high97.3Very high98 Ų9849.7 Ų49.752%0.52428%0.283SS..THydrogen-bonded Turntrans-9539.4177.1-165.726.4000113.1S155 K159 H160S155-D157 VanDerWaalsContact C-N 3.32Å; S155-D157 PolarHBondContact O-N 2.91Å; D157-K159 PolarHBondContact O-N 3.26Å; D157-K159 VanDerWaalsContact O-N 3.11Å; D157-H160 PolarHBondContact O-N 2.94Å; D157-H160 IonicContact OD1-CD2 2.73Å; D157-H160 PolarHBondContact OD1-CD2 3.37Å; D157-H160 IonicContact OD1-CG 3.41Å; D157-H160 IonicContact OD2-CD2 3.81Å; D157-H160 PolarHBondContact OD2-CD2 3.12Å; D157-H160 IonicContact OD2-CG 3.67Å
158W97.1Very high97.4Very high26 Ų2652.9 Ų52.910%0.09830%0.3CS..G310 helixtrans-59.2-27.1-174.362.7-88.2000113.6V91 R152 P153 S155 T156 H160 S161 Q164V91-W158 HydrophobicContact CB-CH2 4.35Å; V91-W158 HydrophobicContact CG1-CH2 3.63Å; V91-W158 HydrophobicContact CG1-CZ3 4.13Å; V91-W158 HydrophobicContact CG2-CH2 3.85Å; V91-W158 HydrophobicContact CG2-CZ2 4.44Å; R152-W158 HydrophobicContact CB-CD2 3.91Å; R152-W158 HydrophobicContact CB-CE3 3.87Å; R152-W158 HydrophobicContact CB-CG 4.48Å; R152-W158 HydrophobicContact CB-CH2 4.31Å; R152-W158 HydrophobicContact CB-CZ2 4.37Å; R152-W158 HydrophobicContact CB-CZ3 4.06Å; R152-W158 VanDerWaalsContact CD-NE1 3.29Å; R152-W158 HydrophobicContact CG-CD2 4.43Å; P153-W158 HydrophobicContact CB-CB 3.75Å; P153-W158 HydrophobicContact CG-CB 4.01Å; P153-W158 WeakPolarHBondContact O-CB 3.5Å; S155-W158 WeakPolarHBondContact O-CB 3.31Å; S155-W158 VanDerWaalsContact O-CD1 3.31Å; S155-W158 PolarHBondContact O-N 3.27Å; S155-W158 WeakPolarHBondContact OG-CA 3.45Å; S155-W158 PolarHBondContact OG-N 2.93Å; T156-W158 VanDerWaalsContact C-N 3.31Å; T156-W158 PolarHBondContact O-N 2.65Å; W158-H160 PolarHBondContact O-N 3.08Å; W158-S161 WeakPolarHBondContact O-CB 3.5Å; W158-S161 PolarHBondContact O-N 3.29Å; W158-S161 VanDerWaalsContact O-N 3.11Å; W158-S161 PolarHBondContact O-OG 3.46Å; W158-Q164 HydrophobicContact CE3-CG 4.03Å; W158-Q164 HydrophobicContact CZ3-CG 4.06Å; W158-Q164 WeakPolarHBondContact O-CB 3.34Å
159K96.4Very high97.4Very high139 Ų13959.2 Ų59.260%0.60433%0.329SS*.G310 helixtrans-61.9-29.6179.9-69.4-173.8178.4-177.90113D157D157-K159 PolarHBondContact O-N 3.26Å; D157-K159 VanDerWaalsContact O-N 3.11Å
160H96.3Very high97.3Very high151 Ų15159.8 Ų59.870%0.69933%0.332SS*.G310 helixtrans-98.76.2178.5-63.2-51.4000113.3D157 W158D157-H160 PolarHBondContact O-N 2.94Å; D157-H160 IonicContact OD1-CD2 2.73Å; D157-H160 PolarHBondContact OD1-CD2 3.37Å; D157-H160 IonicContact OD1-CG 3.41Å; D157-H160 IonicContact OD2-CD2 3.81Å; D157-H160 PolarHBondContact OD2-CD2 3.12Å; D157-H160 IonicContact OD2-CG 3.67Å; W158-H160 PolarHBondContact O-N 3.08Å
161S97.4Very high97.3Very high23 Ų2360.9 Ų60.916%0.16134%0.337CS..SBendtrans-69149.9176.670.60000112.3W158 T163 Q164 S165W158-S161 WeakPolarHBondContact O-CB 3.5Å; W158-S161 PolarHBondContact O-N 3.29Å; W158-S161 VanDerWaalsContact O-N 3.11Å; W158-S161 PolarHBondContact O-OG 3.46Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.94Å; S161-Q164 PolarHBondContact O-N 3.01Å; S161-Q164 VanDerWaalsContact OG-CB 3.25Å; S161-Q164 WeakPolarHBondContact OG-CB 3.37Å; S161-Q164 PolarHBondContact OG-N 3.4Å; S161-Q164 VanDerWaalsContact OG-N 3.1Å; S161-S165 PolarHBondContact O-N 3.41Å; S161-S165 PolarHBondContact O-OG 3.37Å; S161-S165 VanDerWaalsContact O-OG 3.07Å
162S97.2Very high97.3Very high90 Ų9067.6 Ų67.663%0.62937%0.37SS*.Hα-helixtrans-58.7-42.9172.7520000111.4Q164 S165 M166S162-Q164 PolarHBondContact O-N 2.91Å; S162-S165 WeakPolarHBondContact O-CB 3.49Å; S162-S165 PolarHBondContact O-N 2.84Å; S162-S165 VanDerWaalsContact O-N 3.14Å; S162-M166 WeakPolarHBondContact O-CG 3.02Å; S162-M166 PolarHBondContact O-N 3.29Å
163T97.8Very high97.3Very high34 Ų3472.2 Ų72.221%0.20939%0.392CS..Hα-helixtrans-55.6-48.6175.6-55.60000111.7L118 L119 S161 S165 M166 V167L118-T163 HydrophobicContact CB-CG2 3.92Å; L118-T163 HydrophobicContact CD1-CG2 4.48Å; L119-T163 HydrophobicContact CD2-CG2 3.81Å; S161-T163 VanDerWaalsContact C-N 3.29Å; S161-T163 PolarHBondContact O-N 2.94Å; T163-S165 VanDerWaalsContact C-N 3.32Å; T163-S165 PolarHBondContact O-N 2.93Å; T163-M166 PolarHBondContact O-N 3.11Å; T163-V167 WeakPolarHBondContact O-CG2 3.44Å; T163-V167 PolarHBondContact O-N 3.41Å
164Q98.3Very high97.2Very high14 Ų1475.1 Ų75.17%0.06540%0.401CS..Hα-helixtrans-63.8-38.4178.2-17660.535.700112.2P153 W158 S161 S162 M166 V167 L168P153-Q164 HydrophobicContact CG-CB 4.45Å; W158-Q164 HydrophobicContact CE3-CG 4.03Å; W158-Q164 HydrophobicContact CZ3-CG 4.06Å; W158-Q164 WeakPolarHBondContact O-CB 3.34Å; S161-Q164 PolarHBondContact O-N 3.01Å; S161-Q164 VanDerWaalsContact OG-CB 3.25Å; S161-Q164 WeakPolarHBondContact OG-CB 3.37Å; S161-Q164 PolarHBondContact OG-N 3.4Å; S161-Q164 VanDerWaalsContact OG-N 3.1Å; S162-Q164 PolarHBondContact O-N 2.91Å; Q164-M166 VanDerWaalsContact C-N 3.32Å; Q164-M166 PolarHBondContact O-N 3.4Å; Q164-V167 PolarHBondContact O-N 3.2Å; Q164-L168 WeakPolarHBondContact O-CB 3.46Å; Q164-L168 PolarHBondContact O-N 3.01Å
165S98.1Very high97.2Very high53 Ų5375 Ų7537%0.37139%0.389SS..Hα-helixtrans-61.1-40.6175.7-56.70000111.9S161 S162 T163 L168 Q169S161-S165 PolarHBondContact O-N 3.41Å; S161-S165 PolarHBondContact O-OG 3.37Å; S161-S165 VanDerWaalsContact O-OG 3.07Å; S162-S165 WeakPolarHBondContact O-CB 3.49Å; S162-S165 PolarHBondContact O-N 2.84Å; S162-S165 VanDerWaalsContact O-N 3.14Å; T163-S165 VanDerWaalsContact C-N 3.32Å; T163-S165 PolarHBondContact O-N 2.93Å; S165-L168 PolarHBondContact O-N 3Å; S165-Q169 WeakPolarHBondContact O-CG 3.27Å; S165-Q169 PolarHBondContact O-N 2.96Å
166M98.4Very high97.2Very high91 Ų9172.9 Ų72.945%0.44837%0.373SS..Hα-helixtrans-67.4-42.6175.8-66.4171.869.200112.2F121 S162 T163 Q164 L168 Q169 E170F121-M166 HydrophobicContact CD2-CE 4.15Å; F121-M166 HydrophobicContact CE1-CB 4Å; F121-M166 HydrophobicContact CE2-CB 4.17Å; F121-M166 HydrophobicContact CE2-CE 3.82Å; F121-M166 HydrophobicContact CE2-SD 4.5Å; F121-M166 HydrophobicContact CZ-CB 3.5Å; F121-M166 HydrophobicContact CZ-CE 4.27Å; S162-M166 WeakPolarHBondContact O-CG 3.02Å; S162-M166 PolarHBondContact O-N 3.29Å; T163-M166 PolarHBondContact O-N 3.11Å; Q164-M166 VanDerWaalsContact C-N 3.32Å; Q164-M166 PolarHBondContact O-N 3.4Å; M166-L168 VanDerWaalsContact C-N 3.3Å; M166-L168 PolarHBondContact O-N 3.15Å; M166-Q169 PolarHBondContact O-N 2.84Å; M166-E170 PolarHBondContact O-N 3.47Å
167V98.6Very high97.4Very high0 Ų065.9 Ų65.90%033%0.33CS..Hα-helixtrans-60.3-41.4174.4172.30000111L92 L118 F121 L150 T163 Q164 E170 H171L92-V167 HydrophobicContact CD1-CG1 4Å; L118-V167 HydrophobicContact CD2-CG2 3.84Å; F121-V167 HydrophobicContact CE1-CG2 4.06Å; F121-V167 HydrophobicContact CZ-CG2 3.81Å; L150-V167 HydrophobicContact CD1-CG1 3.96Å; L150-V167 HydrophobicContact CD1-CG2 4.44Å; T163-V167 WeakPolarHBondContact O-CG2 3.44Å; T163-V167 PolarHBondContact O-N 3.41Å; Q164-V167 PolarHBondContact O-N 3.2Å; V167-E170 PolarHBondContact O-N 3.35Å; V167-H171 VanDerWaalsContact O-CB 3.32Å; V167-H171 WeakPolarHBondContact O-CB 3.24Å; V167-H171 PolarHBondContact O-N 2.89Å
168L98.3Very high97.6Very high67 Ų6761.2 Ų61.235%0.35131%0.305SS..Hα-helixtrans-63.3-43.3176.4-177.961.7000111.8L92 Q164 S165 M166 H171 M172L92-L168 HydrophobicContact CD1-CD1 4.43Å; L92-L168 HydrophobicContact CD2-CD1 3.84Å; Q164-L168 WeakPolarHBondContact O-CB 3.46Å; Q164-L168 PolarHBondContact O-N 3.01Å; S165-L168 PolarHBondContact O-N 3Å; M166-L168 VanDerWaalsContact C-N 3.3Å; M166-L168 PolarHBondContact O-N 3.15Å; L168-H171 PolarHBondContact O-N 3.25Å; L168-M172 HydrophobicContact CD1-CE 3.97Å; L168-M172 HydrophobicContact CD2-CE 4.16Å; L168-M172 HydrophobicContact CG-CE 3.93Å; L168-M172 HydrophobicContact CG-SD 4.38Å; L168-M172 WeakPolarHBondContact O-CB 3.18Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.14Å; L168-M172 PolarHBondContact O-N 3.26Å
169Q98.4Very high97.7Very high133 Ų13360 Ų6062%0.62130%0.3SS*.Hα-helixtrans-62.2-43.5175.7-72.7173.56.100112.1S165 M166 M172 K173S165-Q169 WeakPolarHBondContact O-CG 3.27Å; S165-Q169 PolarHBondContact O-N 2.96Å; M166-Q169 PolarHBondContact O-N 2.84Å; Q169-M172 PolarHBondContact O-N 2.93Å; Q169-K173 WeakPolarHBondContact O-CB 3.32Å; Q169-K173 PolarHBondContact O-N 3.05Å
170E98.5Very high97.8Very high12 Ų1253.6 Ų53.66%0.05627%0.272CS..Hα-helixtrans-61.6-46.3174.9-175.1-171.9-163.800111.3F121 R124 R128 M166 V167 M172 K173 Y174F121-E170 HydrophobicContact CD1-CB 4.3Å; F121-E170 HydrophobicContact CD1-CG 4.48Å; F121-E170 VanDerWaalsContact CD1-OE2 3.29Å; F121-E170 WeakPolarHBondContact CD1-OE2 3.46Å; F121-E170 HydrophobicContact CE1-CB 4.24Å; F121-E170 WeakPolarHBondContact CE1-OE2 3.36Å; R124-E170 IonicContact CZ-OE1 3.47Å; R124-E170 IonicContact CZ-OE2 2.95Å; R124-E170 VanDerWaalsContact CZ-OE2 3.23Å; R124-E170 VanDerWaalsContact NE-CD 3.32Å; R124-E170 IonicContact NE-OE1 3.5Å; R124-E170 PolarHBondContact NE-OE1 2.93Å; R124-E170 IonicContact NE-OE2 3.54Å; R124-E170 PolarHBondContact NE-OE2 3.14Å; R124-E170 IonicContact NH2-OE1 2.69Å; R124-E170 IonicContact NH2-OE2 3.47Å; R124-E170 PolarHBondContact NH2-OE2 3.43Å; R128-E170 IonicContact CZ-OE1 2.9Å; R128-E170 IonicContact NH1-OE1 3.89Å; R128-E170 PolarHBondContact NH1-OE1 3.11Å; R128-E170 IonicContact NH2-OE1 3.55Å; R128-E170 PolarHBondContact NH2-OE1 2.97Å; M166-E170 PolarHBondContact O-N 3.47Å; V167-E170 PolarHBondContact O-N 3.35Å; E170-M172 PolarHBondContact O-N 3.49Å; E170-K173 PolarHBondContact O-N 2.98Å; E170-K173 VanDerWaalsContact O-N 3.12Å; E170-Y174 HydrophobicContact CG-CD2 3.68Å; E170-Y174 HydrophobicContact CG-CE2 4.06Å; E170-Y174 WeakPolarHBondContact O-CD2 3.39Å; E170-Y174 PolarHBondContact O-N 3.43Å
171H98.1Very high97.8Very high24 Ų2448.6 Ų48.611%0.11125%0.251CS..Hα-helixtrans-59.8-44.5177.5173.276000111.7L92 Q93 V167 L168 K173 N175 T177L92-H171 HydrophobicContact CD1-CB 4.04Å; Q93-H171 PolarHBondContact O-CE1 2.92Å; Q93-H171 VanDerWaalsContact O-CE1 3.28Å; V167-H171 VanDerWaalsContact O-CB 3.32Å; V167-H171 WeakPolarHBondContact O-CB 3.24Å; V167-H171 PolarHBondContact O-N 2.89Å; L168-H171 PolarHBondContact O-N 3.25Å; H171-K173 VanDerWaalsContact C-N 3.27Å; H171-K173 PolarHBondContact O-N 3.06Å; H171-N175 VanDerWaalsContact O-CA 3.24Å; H171-N175 WeakPolarHBondContact O-CA 3.41Å; H171-N175 PolarHBondContact O-N 3.29Å; H171-T177 PolarHBondContact ND1-O 3.14Å
172M97.8Very high97.8Very high140 Ų14047.9 Ų47.969%0.6925%0.245SC*.Hα-helixtrans-62.4-34.4175-73.9178.3173.100112.5L168 Q169 E170L168-M172 HydrophobicContact CD1-CE 3.97Å; L168-M172 HydrophobicContact CD2-CE 4.16Å; L168-M172 HydrophobicContact CG-CE 3.93Å; L168-M172 HydrophobicContact CG-SD 4.38Å; L168-M172 WeakPolarHBondContact O-CB 3.18Å; L168-M172 VanDerWaalsContact O-CG 3.31Å; L168-M172 WeakPolarHBondContact O-CG 3.14Å; L168-M172 PolarHBondContact O-N 3.26Å; Q169-M172 PolarHBondContact O-N 2.93Å; E170-M172 PolarHBondContact O-N 3.49Å
173K97.6Very high97.9Very high149 Ų14946.6 Ų46.665%0.64823%0.23SC*.Hα-helixtrans-74.7-45.4-179.2-175.7179.7178.1-165.90112.9Q169 E170 H171Q169-K173 WeakPolarHBondContact O-CB 3.32Å; Q169-K173 PolarHBondContact O-N 3.05Å; E170-K173 PolarHBondContact O-N 2.98Å; E170-K173 VanDerWaalsContact O-N 3.12Å; H171-K173 VanDerWaalsContact C-N 3.27Å; H171-K173 PolarHBondContact O-N 3.06Å
174Y96.5Very high97.9Very high76 Ų7646.8 Ų46.830%0.29823%0.229SC..Hα-helixtrans-109.9-20.5-169.8-61.5-72.4000114.5N125 E170 D176N125-Y174 PolarHBondContact OD1-OH 3.23Å; E170-Y174 HydrophobicContact CG-CD2 3.68Å; E170-Y174 HydrophobicContact CG-CE2 4.06Å; E170-Y174 WeakPolarHBondContact O-CD2 3.39Å; E170-Y174 PolarHBondContact O-N 3.43Å; Y174-D176 VanDerWaalsContact C-N 3.26Å; Y174-D176 WeakPolarHBondContact CB-OD1 3.39Å; Y174-D176 PolarHBondContact O-N 2.86Å
175N95.9Very high97.8Very high48 Ų4849.6 Ų49.626%0.25724%0.244SC..SBendtrans50.943.3178-17049.5000113P94 I95 R145 H171P94-N175 WeakPolarHBondContact CA-OD1 3.46Å; P94-N175 WeakPolarHBondContact CB-O 3.47Å; P94-N175 WeakPolarHBondContact CG-O 3.29Å; I95-N175 PolarHBondContact N-OD1 3.44Å; I95-N175 VanDerWaalsContact N-OD1 3.11Å; R145-N175 PolarHBondContact NH2-O 2.94Å; H171-N175 VanDerWaalsContact O-CA 3.24Å; H171-N175 WeakPolarHBondContact O-CA 3.41Å; H171-N175 PolarHBondContact O-N 3.29Å
176D96.5Very high97.5Very high15 Ų1551.9 Ų51.98%0.0825%0.245CC..  trans-135.24.9-177.762.10.8000113.8R128 L147 F148 Y174R128-D176 IonicContact CZ-OD1 3.36Å; R128-D176 IonicContact CZ-OD2 3.23Å; R128-D176 IonicContact NE-OD1 3.06Å; R128-D176 IonicContact NE-OD2 3.93Å; R128-D176 PolarHBondContact NE-OD2 3.06Å; R128-D176 IonicContact NH2-OD1 2.95Å; R128-D176 PolarHBondContact NH2-OD1 3.02Å; R128-D176 IonicContact NH2-OD2 2.76Å; R128-D176 PolarHBondContact NH2-OD2 3.31Å; L147-D176 CarbonylContact C-O 3.58Å; L147-D176 VanDerWaalsContact CA-O 3.31Å; L147-D176 WeakPolarHBondContact CA-O 3.41Å; F148-D176 HydrophobicContact CD2-CB 4.47Å; F148-D176 WeakPolarHBondContact CE2-OD2 3.41Å; F148-D176 PolarHBondContact N-O 2.76Å; Y174-D176 VanDerWaalsContact C-N 3.26Å; Y174-D176 WeakPolarHBondContact CB-OD1 3.39Å; Y174-D176 PolarHBondContact O-N 2.86Å
177T98.1Very high97.2Very high0 Ų052.5 Ų52.50%025%0.247CC..EExtended strand (participates in β ladder)trans-93.6131.2175.8-57.50000111P94 F148 L150 H171P94-T177 WeakPolarHBondContact CD-O 3.47Å; F148-T177 WeakPolarHBondContact O-CA 3.37Å; L150-T177 HydrophobicContact CD1-CG2 3.55Å; L150-T177 HydrophobicContact CG-CG2 4.03Å; H171-T177 PolarHBondContact ND1-O 3.14Å
178V98.4Very high97.2Very high0 Ų054.2 Ų54.20%026%0.256CS..EExtended strand (participates in β ladder)trans-110.1117163.8-174.80000107.8L92 L147 F148 I149 L150 F180 F199L92-V178 CarbonylContact O-C 3.6Å; L92-V178 WeakPolarHBondContact O-CA 3.26Å; L147-V178 HydrophobicContact CB-CG2 4.4Å; L147-V178 HydrophobicContact CD1-CG2 4.24Å; L147-V178 HydrophobicContact CD2-CG2 4.4Å; F148-V178 PolarHBondContact O-N 3Å; I149-V178 WeakPolarHBondContact CA-O 3.26Å; I149-V178 HydrophobicContact CD1-CB 3.74Å; I149-V178 HydrophobicContact CD1-CG1 4.39Å; I149-V178 HydrophobicContact CD1-CG2 4.2Å; L150-V178 PolarHBondContact N-O 2.84Å; V178-F180 HydrophobicContact CG1-CD2 4.4Å; V178-F180 HydrophobicContact CG1-CE1 4.09Å; V178-F180 HydrophobicContact CG1-CE2 3.72Å; V178-F180 HydrophobicContact CG1-CZ 3.52Å; V178-F199 HydrophobicContact CB-CE2 4.46Å; V178-F199 HydrophobicContact CB-CZ 4.41Å; V178-F199 HydrophobicContact CG1-CD2 3.73Å; V178-F199 HydrophobicContact CG1-CE2 3.61Å; V178-F199 HydrophobicContact CG1-CG 4.23Å; V178-F199 HydrophobicContact CG1-CZ 4.02Å; V178-F199 HydrophobicContact CG2-CD1 4.45Å; V178-F199 HydrophobicContact CG2-CE1 3.77Å; V178-F199 HydrophobicContact CG2-CE2 3.94Å; V178-F199 HydrophobicContact CG2-CZ 3.45Å; V178-F199 VanDerWaalsContact CG2-CZ 3.45Å
179Q98.6Very high97.1Very high0 Ų052.5 Ų52.50%025%0.248CC..EExtended strand (participates in β ladder)trans-112.8129.7179.1-172.2-176.622.400109.7A90 V91 L92 L150 G151A90-Q179 CarbonylContact C-O 3.52Å; A90-Q179 WeakPolarHBondContact CA-O 2.9Å; V91-Q179 PolarHBondContact N-O 3.39Å; L92-Q179 HydrophobicContact CB-CB 3.86Å; L92-Q179 HydrophobicContact CD1-CB 4.3Å; L92-Q179 VanDerWaalsContact CD1-OE1 3.26Å; L92-Q179 HydrophobicContact CG-CB 4.19Å; L92-Q179 PolarHBondContact N-O 2.86Å; L92-Q179 PolarHBondContact O-N 3.29Å; L150-Q179 HydrophobicContact CB-CB 4.45Å; L150-Q179 HydrophobicContact CB-CG 4.21Å; L150-Q179 CarbonylContact O-C 3.58Å; L150-Q179 WeakPolarHBondContact O-CA 3.21Å; G151-Q179 WeakPolarHBondContact O-CG 3.33Å; G151-Q179 PolarHBondContact O-NE2 3.28Å
180F98.4Very high97Very high5 Ų546.4 Ų46.42%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-105166.2176.6-61.9-78.3000112.6F88 N89 A90 I149 L150 G151 R152 V178 F182 A195 F199F88-F180 HydrophobicContact CB-CB 4.37Å; F88-F180 HydrophobicContact CB-CD1 4.29Å; N89-F180 WeakPolarHBondContact O-CA 3.42Å; A90-F180 HydrophobicContact CB-CD1 4.37Å; A90-F180 HydrophobicContact CB-CE1 4.28Å; I149-F180 HydrophobicContact CD1-CE2 4.36Å; I149-F180 HydrophobicContact CG2-CD2 4Å; I149-F180 HydrophobicContact CG2-CE2 3.78Å; L150-F180 PolarHBondContact O-N 2.6Å; G151-F180 CarbonylContact C-O 3.49Å; R152-F180 PolarHBondContact N-O 2.98Å; V178-F180 HydrophobicContact CG1-CD2 4.4Å; V178-F180 HydrophobicContact CG1-CE1 4.09Å; V178-F180 HydrophobicContact CG1-CE2 3.72Å; V178-F180 HydrophobicContact CG1-CZ 3.52Å; F180-F182 HydrophobicContact CB-CD1 3.54Å; F180-F182 HydrophobicContact CB-CE1 3.39Å; F180-F182 HydrophobicContact CB-CZ 4.3Å; F180-F182 AromaticContact CD2-CE1 3.81Å; F180-F182 HydrophobicContact CD2-CE1 3.81Å; F180-F182 HydrophobicContact CD2-CZ 4.44Å; F180-F182 HydrophobicContact CG-CD1 4.39Å; F180-F182 AromaticContact CG-CE1 3.9Å; F180-F182 HydrophobicContact CG-CE1 3.9Å; F180-F182 PolarHBondContact O-N 3.26Å; F180-A195 HydrophobicContact CB-CB 4.39Å; F180-A195 HydrophobicContact CD1-CB 3.8Å; F180-A195 HydrophobicContact CD2-CB 3.65Å; F180-A195 HydrophobicContact CE1-CB 3.88Å; F180-A195 HydrophobicContact CE2-CB 3.72Å; F180-A195 HydrophobicContact CG-CB 3.68Å; F180-A195 HydrophobicContact CZ-CB 3.85Å; F180-A195 VanDerWaalsContact CZ-O 3.32Å; F180-A195 WeakPolarHBondContact CZ-O 3.36Å; F180-F199 HydrophobicContact CE1-CB 4.17Å; F180-F199 HydrophobicContact CE1-CD2 4.3Å; F180-F199 HydrophobicContact CZ-CB 3.67Å; F180-F199 HydrophobicContact CZ-CD2 4.11Å; F180-F199 HydrophobicContact CZ-CG 4.07Å
181D97.2Very high97Very high47 Ų4749.8 Ų49.825%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-84.11.6-17660.2-1.3000115.6F88 N89 V91 R152F88-D181 WeakPolarHBondContact CA-OD1 3.49Å; N89-D181 WeakPolarHBondContact CB-OD2 3.23Å; N89-D181 PolarHBondContact N-OD1 3.15Å; N89-D181 PolarHBondContact N-OD2 3.3Å; N89-D181 PolarHBondContact ND2-OD2 3.41Å; N89-D181 PolarHBondContact O-N 3.08Å; N89-D181 VanDerWaalsContact O-N 3.13Å; V91-D181 HydrophobicContact CG2-CB 4Å; R152-D181 VanDerWaalsContact CD-O 3.3Å; R152-D181 WeakPolarHBondContact CD-O 3.42Å; R152-D181 WeakPolarHBondContact CG-O 3.5Å; R152-D181 PolarHBondContact NE-O 3.34Å
182F97.4Very high97Very high8 Ų849.1 Ų49.14%0.03523%0.23CC..EExtended strand (participates in β ladder)trans-76.2150.6169.865.6-101.8000112.2F88 G151 R152 F180 E184 K192 A195F88-F182 HydrophobicContact CB-CD1 4.39Å; F88-F182 HydrophobicContact CD1-CB 3.74Å; F88-F182 HydrophobicContact CD1-CD1 4.06Å; F88-F182 HydrophobicContact CD1-CG 4.41Å; F88-F182 HydrophobicContact CD2-CD1 4.25Å; F88-F182 HydrophobicContact CE1-CB 3.56Å; F88-F182 HydrophobicContact CE1-CD1 4.42Å; F88-F182 HydrophobicContact CE1-CG 4.44Å; F88-F182 HydrophobicContact CG-CB 4.48Å; F88-F182 AromaticContact CG-CD1 3.96Å; F88-F182 HydrophobicContact CG-CD1 3.96Å; F88-F182 HydrophobicContact CZ-CB 4.14Å; G151-F182 CarbonylContact C-O 3.27Å; G151-F182 VanDerWaalsContact CA-CE2 3.49Å; G151-F182 WeakPolarHBondContact CA-O 3.2Å; R152-F182 WeakPolarHBondContact CG-O 3.4Å; R152-F182 PolarHBondContact N-O 2.71Å; F180-F182 HydrophobicContact CB-CD1 3.54Å; F180-F182 HydrophobicContact CB-CE1 3.39Å; F180-F182 HydrophobicContact CB-CZ 4.3Å; F180-F182 AromaticContact CD2-CE1 3.81Å; F180-F182 HydrophobicContact CD2-CE1 3.81Å; F180-F182 HydrophobicContact CD2-CZ 4.44Å; F180-F182 HydrophobicContact CG-CD1 4.39Å; F180-F182 AromaticContact CG-CE1 3.9Å; F180-F182 HydrophobicContact CG-CE1 3.9Å; F180-F182 PolarHBondContact O-N 3.26Å; F182-E184 PolarHBondContact O-N 2.89Å; F182-K192 HydrophobicContact CE1-CB 4.29Å; F182-K192 HydrophobicContact CE2-CB 4.05Å; F182-K192 HydrophobicContact CZ-CB 3.57Å; F182-K192 HydrophobicContact CZ-CD 4.49Å; F182-K192 HydrophobicContact CZ-CG 3.84Å; F182-A195 HydrophobicContact CD1-CB 4.29Å; F182-A195 HydrophobicContact CE1-CB 3.83Å
183I98Very high97Very high62 Ų6242.5 Ų42.532%0.31820%0.197SC..EExtended strand (participates in β ladder)trans-67.8125.7177.9-63.2173.6000109.8D185 N188I183-D185 PolarHBondContact O-N 2.65Å; I183-D185 VanDerWaalsContact O-N 3.12Å; I183-N188 WeakPolarHBondContact O-CB 3.42Å; I183-N188 PolarHBondContact O-ND2 3.25Å
184E97.9Very high97.1Very high39 Ų3936 Ų3618%0.18217%0.169CC..  trans-64.8108.7171.2-172.166-96.500109.8L118 G151 R152 F182 K192L118-E184 HydrophobicContact CD1-CB 3.67Å; L118-E184 HydrophobicContact CD1-CG 4.05Å; L118-E184 HydrophobicContact CG-CB 4.12Å; L118-E184 HydrophobicContact CG-CG 4.06Å; G151-E184 PolarHBondContact N-OE2 3.29Å; R152-E184 PolarHBondContact O-N 3.36Å; F182-E184 PolarHBondContact O-N 2.89Å; E184-K192 WeakPolarHBondContact OE1-CE 3.47Å; E184-K192 IonicContact OE1-NZ 3.74Å; E184-K192 PolarHBondContact OE1-NZ 3.32Å; E184-K192 IonicContact OE2-NZ 2.74Å; E184-K192 PolarHBondContact OE2-NZ 2.76Å
185D96Very high97.1Very high73 Ų7332.4 Ų32.439%0.3916%0.155SC..  trans-154.8150176.8-171.4-91.7000109.2I183 H187 N188I183-D185 PolarHBondContact O-N 2.65Å; I183-D185 VanDerWaalsContact O-N 3.12Å; D185-H187 PolarHBondContact O-N 3.11Å; D185-H187 WeakPolarHBondContact OD1-CB 3.44Å; D185-H187 IonicContact OD1-CG 3.37Å; D185-H187 PolarHBondContact OD1-N 3.28Å; D185-H187 IonicContact OD1-ND1 3.46Å; D185-H187 PolarHBondContact OD1-ND1 3.45Å; D185-N188 HydrophobicContact CB-CB 4.35Å; D185-N188 PolarHBondContact O-N 2.97Å
186Y92Very high97.2Very high101 Ų10130.2 Ų30.240%0.39614%0.144SC..G310 helixtrans-55.2-37.9176.9178.6-102.5000112.8N188 V189 W258Y186-N188 PolarHBondContact O-N 3.18Å; Y186-V189 VanDerWaalsContact O-CG1 3.27Å; Y186-V189 WeakPolarHBondContact O-CG1 3.3Å; Y186-V189 WeakPolarHBondContact O-CG2 3.33Å; Y186-V189 PolarHBondContact O-N 3.42Å; Y186-W258 PolarHBondContact OH-NE1 2.99Å
187H93.8Very high97.2Very high104 Ų10429.5 Ų29.548%0.48114%0.14SC..G310 helixtrans-78-8.7-179.2-55.289.7000113.1D185 P300D185-H187 PolarHBondContact O-N 3.11Å; D185-H187 WeakPolarHBondContact OD1-CB 3.44Å; D185-H187 IonicContact OD1-CG 3.37Å; D185-H187 PolarHBondContact OD1-N 3.28Å; D185-H187 IonicContact OD1-ND1 3.46Å; D185-H187 PolarHBondContact OD1-ND1 3.45Å; H187-P300 HydrophobicContact CB-CB 4.21Å
188N96.9Very high97.1Very high36 Ų3631.3 Ų31.319%0.19315%0.15CC..G310 helixtrans-97.812.1177.3-69.8-24.2000112.9I183 D185 Y186 T190 Y191 K192I183-N188 WeakPolarHBondContact O-CB 3.42Å; I183-N188 PolarHBondContact O-ND2 3.25Å; D185-N188 HydrophobicContact CB-CB 4.35Å; D185-N188 PolarHBondContact O-N 2.97Å; Y186-N188 PolarHBondContact O-N 3.18Å; N188-T190 PolarHBondContact O-N 3.46Å; N188-Y191 HydrophobicContact CB-CD2 3.93Å; N188-Y191 WeakPolarHBondContact O-CA 3.42Å; N188-Y191 WeakPolarHBondContact O-CB 3.26Å; N188-Y191 PolarHBondContact O-N 2.77Å; N188-Y191 WeakPolarHBondContact OD1-CD2 3.34Å; N188-Y191 WeakPolarHBondContact OD1-CE2 3.21Å; N188-K192 PolarHBondContact O-N 2.84Å; N188-K192 VanDerWaalsContact O-N 3.08Å
189V97Very high96.9Very high31 Ų3131.8 Ų31.819%0.18815%0.152CC..Hα-helixtrans-56.8-34.4176.3-70.80000112.8Y186 Y191 K192 L193 P300 E302Y186-V189 VanDerWaalsContact O-CG1 3.27Å; Y186-V189 WeakPolarHBondContact O-CG1 3.3Å; Y186-V189 WeakPolarHBondContact O-CG2 3.33Å; Y186-V189 PolarHBondContact O-N 3.42Å; V189-Y191 VanDerWaalsContact C-N 3.31Å; V189-Y191 PolarHBondContact O-N 3.35Å; V189-K192 CarbonylContact O-C 3.56Å; V189-K192 WeakPolarHBondContact O-CA 3.23Å; V189-K192 VanDerWaalsContact O-CB 3.27Å; V189-K192 WeakPolarHBondContact O-CB 3.29Å; V189-K192 PolarHBondContact O-N 2.89Å; V189-K192 VanDerWaalsContact O-N 3.08Å; V189-L193 PolarHBondContact O-N 2.7Å; V189-P300 WeakPolarHBondContact CG2-O 3.42Å; V189-E302 HydrophobicContact CB-CG 4.23Å; V189-E302 HydrophobicContact CG2-CB 4.34Å; V189-E302 HydrophobicContact CG2-CG 4.11Å
190T97.1Very high96.8Very high4 Ų431.8 Ų31.83%0.02515%0.152CC..Hα-helixtrans-65.5-33.6175.2-56.20000112.4N188 K192 L193 I194 L298 L299 E302 V305N188-T190 PolarHBondContact O-N 3.46Å; T190-K192 VanDerWaalsContact C-N 3.35Å; T190-L193 PolarHBondContact O-N 2.95Å; T190-I194 HydrophobicContact CG2-CD1 4.36Å; T190-I194 WeakPolarHBondContact O-CG1 3.3Å; T190-I194 PolarHBondContact O-N 3.05Å; T190-L298 HydrophobicContact CG2-CB 4.28Å; T190-L298 HydrophobicContact CG2-CD2 3.97Å; T190-L298 HydrophobicContact CG2-CG 4.49Å; T190-L299 WeakPolarHBondContact CB-O 3.36Å; T190-L299 PolarHBondContact OG1-O 2.88Å; T190-E302 PolarHBondContact OG1-N 3.19Å; T190-V305 HydrophobicContact CG2-CB 4.4Å; T190-V305 HydrophobicContact CG2-CG1 4.35Å; T190-V305 HydrophobicContact CG2-CG2 4.12Å
191Y98Very high96.5Very high83 Ų8332.9 Ų32.933%0.32516%0.158SC..Hα-helixtrans-68-38.2171.5-64.6-25.4000111.7F88 N188 V189 I194 A195 L298F88-Y191 HydrophobicContact CE1-CG 4.42Å; F88-Y191 VanDerWaalsContact CE2-CB 3.49Å; F88-Y191 AromaticContact CE2-CD1 3.88Å; F88-Y191 HydrophobicContact CE2-CD1 3.88Å; F88-Y191 AromaticContact CE2-CG 3.82Å; F88-Y191 HydrophobicContact CE2-CG 3.82Å; F88-Y191 VanDerWaalsContact CZ-CB 3.45Å; F88-Y191 AromaticContact CZ-CD1 3.61Å; F88-Y191 HydrophobicContact CZ-CD1 3.61Å; F88-Y191 AromaticContact CZ-CD2 3.92Å; F88-Y191 HydrophobicContact CZ-CD2 3.92Å; F88-Y191 HydrophobicContact CZ-CE1 4.3Å; F88-Y191 AromaticContact CZ-CG 3.38Å; F88-Y191 HydrophobicContact CZ-CG 3.38Å; N188-Y191 HydrophobicContact CB-CD2 3.93Å; N188-Y191 WeakPolarHBondContact O-CA 3.42Å; N188-Y191 WeakPolarHBondContact O-CB 3.26Å; N188-Y191 PolarHBondContact O-N 2.77Å; N188-Y191 WeakPolarHBondContact OD1-CD2 3.34Å; N188-Y191 WeakPolarHBondContact OD1-CE2 3.21Å; V189-Y191 VanDerWaalsContact C-N 3.31Å; V189-Y191 PolarHBondContact O-N 3.35Å; Y191-I194 HydrophobicContact CD1-CD1 4.41Å; Y191-I194 PolarHBondContact O-N 2.98Å; Y191-A195 WeakPolarHBondContact O-CB 3.41Å; Y191-A195 PolarHBondContact O-N 3.35Å; Y191-L298 HydrophobicContact CD1-CD1 4.39Å; Y191-L298 HydrophobicContact CE1-CD1 3.94Å
192K98.3Very high96.2Very high10 Ų1036.4 Ų36.44%0.04318%0.177CC..Hα-helixtrans-60.2-44172.4-171.9171.3-66.4-177.30111.6K115 S116 I149 F182 E184 N188 V189 T190 T196K115-K192 HydrophobicContact CB-CD 4.17Å; K115-K192 HydrophobicContact CG-CD 4.19Å; S116-K192 PolarHBondContact O-NZ 3.41Å; I149-K192 HydrophobicContact CB-CG 4.5Å; I149-K192 HydrophobicContact CG2-CD 4.03Å; I149-K192 HydrophobicContact CG2-CG 3.61Å; F182-K192 HydrophobicContact CE1-CB 4.29Å; F182-K192 HydrophobicContact CE2-CB 4.05Å; F182-K192 HydrophobicContact CZ-CB 3.57Å; F182-K192 HydrophobicContact CZ-CD 4.49Å; F182-K192 HydrophobicContact CZ-CG 3.84Å; E184-K192 WeakPolarHBondContact OE1-CE 3.47Å; E184-K192 IonicContact OE1-NZ 3.74Å; E184-K192 PolarHBondContact OE1-NZ 3.32Å; E184-K192 IonicContact OE2-NZ 2.74Å; E184-K192 PolarHBondContact OE2-NZ 2.76Å; N188-K192 PolarHBondContact O-N 2.84Å; N188-K192 VanDerWaalsContact O-N 3.08Å; V189-K192 CarbonylContact O-C 3.56Å; V189-K192 WeakPolarHBondContact O-CA 3.23Å; V189-K192 VanDerWaalsContact O-CB 3.27Å; V189-K192 WeakPolarHBondContact O-CB 3.29Å; V189-K192 PolarHBondContact O-N 2.89Å; V189-K192 VanDerWaalsContact O-N 3.08Å; T190-K192 VanDerWaalsContact C-N 3.35Å; K192-T196 VanDerWaalsContact O-CB 3.29Å; K192-T196 WeakPolarHBondContact O-CB 3.43Å; K192-T196 PolarHBondContact O-N 3.04Å; K192-T196 PolarHBondContact O-OG1 3.44Å
193L98.3Very high95.8Very high2 Ų239.7 Ų39.71%0.0119%0.192CC..Hα-helixtrans-57.7-53.1173172.766.8000111.6V189 T190 A195 T196 L197 L212 L293 E302 I306V189-L193 PolarHBondContact O-N 2.7Å; T190-L193 PolarHBondContact O-N 2.95Å; L193-A195 PolarHBondContact O-N 3.38Å; L193-T196 PolarHBondContact O-N 3.25Å; L193-L197 HydrophobicContact CD1-CD1 3.82Å; L193-L197 HydrophobicContact CD1-CG 4.01Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 WeakPolarHBondContact O-CG 3.29Å; L193-L197 PolarHBondContact O-N 3.1Å; L193-L212 HydrophobicContact CD1-CD1 3.56Å; L193-L293 HydrophobicContact CD2-CD1 4.17Å; L193-L293 HydrophobicContact CD2-CD2 4.39Å; L193-L293 HydrophobicContact CG-CD1 4.31Å; L193-E302 HydrophobicContact CB-CB 4.09Å; L193-E302 HydrophobicContact CD2-CB 4Å; L193-I306 HydrophobicContact CD1-CD1 4.08Å; L193-I306 HydrophobicContact CD2-CD1 3.8Å; L193-I306 HydrophobicContact CD2-CG1 3.6Å
194I97.8Very high95.4Very high11 Ų1136.9 Ų36.96%0.05618%0.178CC..Hα-helixtrans-56.4-51.6-179.4-69.4163.2000110.4F88 T190 Y191 T196 L197 D198 L293 L298F88-I194 HydrophobicContact CD2-CG2 4.46Å; F88-I194 HydrophobicContact CE2-CG2 4.47Å; T190-I194 HydrophobicContact CG2-CD1 4.36Å; T190-I194 WeakPolarHBondContact O-CG1 3.3Å; T190-I194 PolarHBondContact O-N 3.05Å; Y191-I194 HydrophobicContact CD1-CD1 4.41Å; Y191-I194 PolarHBondContact O-N 2.98Å; I194-T196 VanDerWaalsContact C-N 3.29Å; I194-T196 PolarHBondContact O-N 2.87Å; I194-L197 PolarHBondContact O-N 3.13Å; I194-D198 WeakPolarHBondContact O-CB 3.29Å; I194-D198 PolarHBondContact O-N 3.47Å; I194-L293 HydrophobicContact CG1-CB 4.23Å; I194-L293 HydrophobicContact CG1-CD1 3.89Å; I194-L293 HydrophobicContact CG1-CD2 4.46Å; I194-L293 HydrophobicContact CG1-CG 4.42Å; I194-L298 HydrophobicContact CD1-CD1 3.62Å; I194-L298 HydrophobicContact CD1-CD2 3.97Å; I194-L298 HydrophobicContact CD1-CG 4.47Å
195A98Very high94.2Very high1 Ų140.3 Ų40.31%0.00821%0.206CC..Hα-helixtrans-60.3-39.7179.800000112.4F88 F180 F182 Y191 L193 F199F88-A195 HydrophobicContact CB-CB 3.94Å; F88-A195 HydrophobicContact CD2-CB 3.88Å; F88-A195 HydrophobicContact CG-CB 4.25Å; F180-A195 HydrophobicContact CB-CB 4.39Å; F180-A195 HydrophobicContact CD1-CB 3.8Å; F180-A195 HydrophobicContact CD2-CB 3.65Å; F180-A195 HydrophobicContact CE1-CB 3.88Å; F180-A195 HydrophobicContact CE2-CB 3.72Å; F180-A195 HydrophobicContact CG-CB 3.68Å; F180-A195 HydrophobicContact CZ-CB 3.85Å; F180-A195 VanDerWaalsContact CZ-O 3.32Å; F180-A195 WeakPolarHBondContact CZ-O 3.36Å; F182-A195 HydrophobicContact CD1-CB 4.29Å; F182-A195 HydrophobicContact CE1-CB 3.83Å; Y191-A195 WeakPolarHBondContact O-CB 3.41Å; Y191-A195 PolarHBondContact O-N 3.35Å; L193-A195 PolarHBondContact O-N 3.38Å; A195-F199 VanDerWaalsContact O-CB 3.23Å; A195-F199 WeakPolarHBondContact O-CB 3.33Å; A195-F199 PolarHBondContact O-N 2.94Å
196T97.9Very high93.3Very high3 Ų340.4 Ų40.42%0.01821%0.209CC..Hα-helixtrans-65.6-45.3178.5-57.80000111.7F113 I149 K192 L193 I194 F199 A200 L212F113-T196 HydrophobicContact CB-CG2 3.65Å; F113-T196 HydrophobicContact CD1-CG2 3.78Å; F113-T196 HydrophobicContact CD2-CG2 3.69Å; F113-T196 HydrophobicContact CE1-CG2 4.28Å; F113-T196 HydrophobicContact CE2-CG2 4.23Å; F113-T196 HydrophobicContact CG-CG2 3.42Å; F113-T196 VanDerWaalsContact CG-CG2 3.42Å; F113-T196 HydrophobicContact CZ-CG2 4.49Å; I149-T196 HydrophobicContact CG1-CG2 4.21Å; K192-T196 VanDerWaalsContact O-CB 3.29Å; K192-T196 WeakPolarHBondContact O-CB 3.43Å; K192-T196 PolarHBondContact O-N 3.04Å; K192-T196 PolarHBondContact O-OG1 3.44Å; L193-T196 PolarHBondContact O-N 3.25Å; I194-T196 VanDerWaalsContact C-N 3.29Å; I194-T196 PolarHBondContact O-N 2.87Å; T196-F199 PolarHBondContact O-N 2.9Å; T196-A200 WeakPolarHBondContact O-CB 3.21Å; T196-A200 PolarHBondContact O-N 3.42Å; T196-L212 HydrophobicContact CG2-CD2 3.85Å
197L97Very high92.9Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-65-45.8178.3-69.4173000111.2L193 I194 F199 A200 I201 L281 A286 L289 L293L193-L197 HydrophobicContact CD1-CD1 3.82Å; L193-L197 HydrophobicContact CD1-CG 4.01Å; L193-L197 HydrophobicContact CG-CD1 4.01Å; L193-L197 WeakPolarHBondContact O-CG 3.29Å; L193-L197 PolarHBondContact O-N 3.1Å; I194-L197 PolarHBondContact O-N 3.13Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; L197-A200 PolarHBondContact O-N 2.78Å; L197-I201 WeakPolarHBondContact O-CB 3.16Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 VanDerWaalsContact O-CG1 3.23Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.4Å; L197-L281 HydrophobicContact CD2-CD1 4.13Å; L197-A286 HydrophobicContact CD2-CB 3.96Å; L197-L289 HydrophobicContact CD1-CB 3.73Å; L197-L293 HydrophobicContact CD1-CD1 3.51Å
198D94.9Very high92.6Very high38 Ų3834.1 Ų34.120%0.20318%0.181CC..Hα-helixtrans-61.8-41.8177.6-73.1-6.8000111.3I194 I201 N202 S290I194-D198 WeakPolarHBondContact O-CB 3.29Å; I194-D198 PolarHBondContact O-N 3.47Å; D198-I201 PolarHBondContact O-N 3.28Å; D198-N202 WeakPolarHBondContact O-CB 3.38Å; D198-N202 VanDerWaalsContact O-CG 3.3Å; D198-N202 PolarHBondContact O-N 2.93Å; D198-N202 PolarHBondContact O-ND2 3.36Å; D198-S290 PolarHBondContact OD1-OG 3.36Å
199F95.4Very high92.6Very high10 Ų1032.9 Ų32.94%0.04417%0.174CC..Hα-helixtrans-63.6-46.1174.3-178.2-85.4000111.7Q93 S97 F113 L147 V178 F180 A195 T196 L197 I201 N202 E203Q93-F199 HydrophobicContact CB-CE2 4.04Å; Q93-F199 HydrophobicContact CB-CZ 4.48Å; S97-F199 WeakPolarHBondContact OG-CZ 3.48Å; F113-F199 AromaticContact CE1-CD1 3.93Å; F113-F199 HydrophobicContact CE1-CD1 3.93Å; F113-F199 HydrophobicContact CE1-CE1 4.27Å; F113-F199 HydrophobicContact CZ-CD1 4.26Å; L147-F199 HydrophobicContact CD1-CE1 3.77Å; V178-F199 HydrophobicContact CB-CE2 4.46Å; V178-F199 HydrophobicContact CB-CZ 4.41Å; V178-F199 HydrophobicContact CG1-CD2 3.73Å; V178-F199 HydrophobicContact CG1-CE2 3.61Å; V178-F199 HydrophobicContact CG1-CG 4.23Å; V178-F199 HydrophobicContact CG1-CZ 4.02Å; V178-F199 HydrophobicContact CG2-CD1 4.45Å; V178-F199 HydrophobicContact CG2-CE1 3.77Å; V178-F199 HydrophobicContact CG2-CE2 3.94Å; V178-F199 HydrophobicContact CG2-CZ 3.45Å; V178-F199 VanDerWaalsContact CG2-CZ 3.45Å; F180-F199 HydrophobicContact CE1-CB 4.17Å; F180-F199 HydrophobicContact CE1-CD2 4.3Å; F180-F199 HydrophobicContact CZ-CB 3.67Å; F180-F199 HydrophobicContact CZ-CD2 4.11Å; F180-F199 HydrophobicContact CZ-CG 4.07Å; A195-F199 VanDerWaalsContact O-CB 3.23Å; A195-F199 WeakPolarHBondContact O-CB 3.33Å; A195-F199 PolarHBondContact O-N 2.94Å; T196-F199 PolarHBondContact O-N 2.9Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3Å; F199-I201 VanDerWaalsContact C-N 3.29Å; F199-I201 PolarHBondContact O-N 2.98Å; F199-N202 PolarHBondContact O-N 3.44Å; F199-E203 HydrophobicContact CD1-CB 4.28Å; F199-E203 HydrophobicContact CD1-CG 4.44Å; F199-E203 HydrophobicContact CD2-CB 4.5Å; F199-E203 HydrophobicContact CD2-CG 3.8Å; F199-E203 HydrophobicContact CE1-CB 4.04Å; F199-E203 HydrophobicContact CE1-CG 4.32Å; F199-E203 HydrophobicContact CE2-CB 4.29Å; F199-E203 HydrophobicContact CE2-CG 3.7Å; F199-E203 HydrophobicContact CG-CB 4.5Å; F199-E203 HydrophobicContact CG-CG 4.19Å; F199-E203 HydrophobicContact CZ-CB 4.06Å; F199-E203 HydrophobicContact CZ-CG 3.98Å; F199-E203 WeakPolarHBondContact O-CB 3.33Å; F199-E203 PolarHBondContact O-N 3.17Å
200A94.8Very high92.7Very high0 Ų031.4 Ų31.40%017%0.165CC..Hα-helixtrans-57.2-44.5177.800000111.7F113 T196 L197 C204 L210F113-A200 HydrophobicContact CE2-CB 3.55Å; F113-A200 HydrophobicContact CZ-CB 3.6Å; T196-A200 WeakPolarHBondContact O-CB 3.21Å; T196-A200 PolarHBondContact O-N 3.42Å; L197-A200 PolarHBondContact O-N 2.78Å; A200-C204 CarbonylContact O-C 3.55Å; A200-C204 VanDerWaalsContact O-CA 3.29Å; A200-C204 WeakPolarHBondContact O-CA 3.44Å; A200-C204 WeakPolarHBondContact O-CB 3.32Å; A200-C204 PolarHBondContact O-N 2.82Å; A200-C204 VanDerWaalsContact O-O 3.11Å; A200-L210 HydrophobicContact CB-CD1 3.73Å
201I92.2Very high92.7Very high28 Ų2831.2 Ų31.214%0.14416%0.164CC..Hα-helixtrans-67.4-43.4-178.7-69.9163.1000111.6F71 L197 D198 F199 Q287F71-I201 HydrophobicContact CE1-CG2 3.53Å; F71-I201 HydrophobicContact CZ-CD1 4.37Å; F71-I201 HydrophobicContact CZ-CG2 3.94Å; L197-I201 WeakPolarHBondContact O-CB 3.16Å; L197-I201 WeakPolarHBondContact O-CD1 3.38Å; L197-I201 VanDerWaalsContact O-CG1 3.23Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.4Å; D198-I201 PolarHBondContact O-N 3.28Å; F199-I201 VanDerWaalsContact C-N 3.29Å; F199-I201 PolarHBondContact O-N 2.98Å; I201-Q287 HydrophobicContact CD1-CG 4.28Å; I201-Q287 HydrophobicContact CG1-CG 4.08Å
202N90.7Very high92.7Very high121 Ų12127.4 Ų27.465%0.64715%0.149SC*.Hα-helixtrans-81.2-34-174.6-68.9-50.7000113D198 F199D198-N202 WeakPolarHBondContact O-CB 3.38Å; D198-N202 VanDerWaalsContact O-CG 3.3Å; D198-N202 PolarHBondContact O-N 2.93Å; D198-N202 PolarHBondContact O-ND2 3.36Å; F199-N202 PolarHBondContact O-N 3.44Å
203E90.6Very high92.7Very high77 Ų7727 Ų2736%0.3615%0.147SC..Hα-helixtrans-105.6-18.5-170.9-60.6-68.9133.600113.2S97 C98 F199S97-E203 PolarHBondContact OG-OE2 2.91Å; S97-E203 VanDerWaalsContact OG-OE2 3.06Å; C98-E203 WeakPolarHBondContact CB-O 3.38Å; F199-E203 HydrophobicContact CD1-CB 4.28Å; F199-E203 HydrophobicContact CD1-CG 4.44Å; F199-E203 HydrophobicContact CD2-CB 4.5Å; F199-E203 HydrophobicContact CD2-CG 3.8Å; F199-E203 HydrophobicContact CE1-CB 4.04Å; F199-E203 HydrophobicContact CE1-CG 4.32Å; F199-E203 HydrophobicContact CE2-CB 4.29Å; F199-E203 HydrophobicContact CE2-CG 3.7Å; F199-E203 HydrophobicContact CG-CB 4.5Å; F199-E203 HydrophobicContact CG-CG 4.19Å; F199-E203 HydrophobicContact CZ-CB 4.06Å; F199-E203 HydrophobicContact CZ-CG 3.98Å; F199-E203 WeakPolarHBondContact O-CB 3.33Å; F199-E203 PolarHBondContact O-N 3.17Å
204C88.6Confident92.7Very high2 Ų228.7 Ų28.71%0.01416%0.156CC..  trans-122.883.1-175.4-420000110.2C98 V111 A200 T206 P207C98-C204 HydrophobicContact CB-CB 3.51Å; C98-C204 WeakPolarHBondContact CB-SG 3.4Å; C98-C204 WeakPolarHBondContact SG-CB 3.49Å; C98-C204 CovalentContact SG-SG 2.03Å; C98-C204 PolarHBondContact SG-SG 3.48Å; V111-C204 HydrophobicContact CG2-CB 4.49Å; A200-C204 CarbonylContact O-C 3.55Å; A200-C204 VanDerWaalsContact O-CA 3.29Å; A200-C204 WeakPolarHBondContact O-CA 3.44Å; A200-C204 WeakPolarHBondContact O-CB 3.32Å; A200-C204 PolarHBondContact O-N 2.82Å; A200-C204 VanDerWaalsContact O-O 3.11Å; C204-T206 VanDerWaalsContact C-N 3.26Å; C204-T206 PolarHBondContact O-N 2.94Å; C204-T206 VanDerWaalsContact O-N 3.14Å; C204-P207 HydrophobicContact CB-CG 4.04Å; C204-P207 VanDerWaalsContact O-CD 3.23Å; C204-P207 WeakPolarHBondContact O-CD 3.42Å
205S72.6Confident92.6Very high112 Ų11228.8 Ų28.878%0.78316%0.157SC*.SBendtrans-72.1-6-169.153.70000116.7
206T78.2Confident92.5Very high74 Ų7430.8 Ų30.845%0.45417%0.168SC..  trans-147.4-10.4-157.541.80000118S107 C204 R208S107-T206 WeakPolarHBondContact CB-OG1 3.31Å; S107-T206 VanDerWaalsContact OG-CB 3.26Å; S107-T206 WeakPolarHBondContact OG-CB 3.47Å; S107-T206 PolarHBondContact OG-OG1 3.36Å; C204-T206 VanDerWaalsContact C-N 3.26Å; C204-T206 PolarHBondContact O-N 2.94Å; C204-T206 VanDerWaalsContact O-N 3.14Å; T206-R208 PolarHBondContact O-N 3.3Å
207P81.9Confident92.3Very high2 Ų231 Ų311%0.01317%0.168CC..  trans-66.1138.4-18028.9-32.5000109.9P108 V111 C204 L210 M283P108-P207 VanDerWaalsContact O-CA 3.23Å; P108-P207 WeakPolarHBondContact O-CA 3.48Å; P108-P207 WeakPolarHBondContact O-CB 3.29Å; V111-P207 HydrophobicContact CG2-CB 3.81Å; V111-P207 HydrophobicContact CG2-CG 3.78Å; C204-P207 HydrophobicContact CB-CG 4.04Å; C204-P207 VanDerWaalsContact O-CD 3.23Å; C204-P207 WeakPolarHBondContact O-CD 3.42Å; P207-L210 HydrophobicContact CB-CD2 4.28Å; P207-L210 HydrophobicContact CG-CD2 3.7Å; P207-M283 HydrophobicContact CG-CE 3.54Å; P207-M283 WeakPolarHBondContact O-CB 3.34Å
208R89.2Confident92Very high71 Ų7131.2 Ų31.227%0.26817%0.169SC..SBendtrans-69.5-43.8175.2-172.8175.116596.8-12.4109.3D109 T206 E233 Y236 M283D109-R208 PolarHBondContact O-N 3.44Å; D109-R208 VanDerWaalsContact O-N 3.08Å; T206-R208 PolarHBondContact O-N 3.3Å; R208-E233 IonicContact CZ-OE1 2.65Å; R208-E233 VanDerWaalsContact CZ-OE1 3.27Å; R208-E233 IonicContact CZ-OE2 3.41Å; R208-E233 IonicContact NH1-OE1 2.65Å; R208-E233 PolarHBondContact NH1-OE1 3.27Å; R208-E233 IonicContact NH1-OE2 3.29Å; R208-E233 PolarHBondContact NH1-OE2 3.29Å; R208-E233 IonicContact NH2-OE1 3.08Å; R208-E233 PolarHBondContact NH2-OE1 3.34Å; R208-E233 IonicContact NH2-OE2 3.88Å; R208-Y236 HydrophobicContact CB-CE2 4.35Å; R208-Y236 HydrophobicContact CG-CD2 3.94Å; R208-Y236 HydrophobicContact CG-CE2 3.24Å; R208-Y236 WeakPolarHBondContact O-CE2 3.14Å; R208-Y236 PolarHBondContact O-OH 2.93Å; R208-M283 PolarHBondContact O-N 3.43Å; R208-M283 VanDerWaalsContact O-N 3.14Å
209F96.9Very high91.9Very high10 Ų1029.5 Ų29.54%0.04416%0.16CC..EExtended strand (participates in β ladder)trans-124.1146.1-178-61.7-76.7000112.6D109 L110 V111 L228 V231 Y236 Y239 L281D109-F209 PolarHBondContact O-N 2.84Å; L110-F209 WeakPolarHBondContact CA-O 3.27Å; L110-F209 HydrophobicContact CD1-CB 4.02Å; V111-F209 PolarHBondContact N-O 2.96Å; V111-F209 VanDerWaalsContact N-O 3.16Å; F209-L228 HydrophobicContact CB-CD1 4.16Å; F209-L228 HydrophobicContact CB-CD2 4.14Å; F209-L228 HydrophobicContact CD1-CD2 3.82Å; F209-L228 HydrophobicContact CD2-CB 4.12Å; F209-L228 HydrophobicContact CD2-CD1 4Å; F209-L228 HydrophobicContact CD2-CD2 3.87Å; F209-L228 HydrophobicContact CD2-CG 4.22Å; F209-L228 HydrophobicContact CE1-CD2 4.14Å; F209-L228 HydrophobicContact CE2-CB 4.03Å; F209-L228 HydrophobicContact CE2-CD2 4.18Å; F209-L228 HydrophobicContact CG-CD1 4.21Å; F209-L228 HydrophobicContact CG-CD2 3.68Å; F209-L228 HydrophobicContact CG-CG 4.42Å; F209-L228 HydrophobicContact CZ-CD2 4.31Å; F209-V231 HydrophobicContact CE1-CB 4.41Å; F209-V231 HydrophobicContact CE1-CG1 4.23Å; F209-V231 HydrophobicContact CE1-CG2 4.31Å; F209-V231 HydrophobicContact CZ-CB 3.89Å; F209-V231 HydrophobicContact CZ-CG1 4.03Å; F209-V231 HydrophobicContact CZ-CG2 4.09Å; F209-Y236 AromaticContact CE1-CD2 3.86Å; F209-Y236 HydrophobicContact CE1-CD2 3.86Å; F209-Y236 HydrophobicContact CE1-CE2 4.12Å; F209-Y236 AromaticContact CZ-CD2 3.92Å; F209-Y236 HydrophobicContact CZ-CD2 3.92Å; F209-Y236 HydrophobicContact CZ-CE2 4.28Å; F209-Y239 HydrophobicContact CD1-CD1 4.27Å; F209-Y239 AromaticContact CE1-CD1 3.85Å; F209-Y239 HydrophobicContact CE1-CD1 3.85Å; F209-Y239 HydrophobicContact CE1-CE1 4.29Å; F209-Y239 HydrophobicContact CE1-CG 4.5Å; F209-L281 CarbonylContact C-O 3.56Å; F209-L281 VanDerWaalsContact CA-O 3.3Å; F209-L281 WeakPolarHBondContact CA-O 2.96Å
210L97.7Very high91.8Very high1 Ų130.2 Ų30.21%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-112144.3166.9-51.2-178.5000108.6V111 F113 A200 P207 L281 M283 A286V111-L210 HydrophobicContact CB-CD2 3.9Å; V111-L210 HydrophobicContact CG2-CD2 4.46Å; V111-L210 CarbonylContact O-C 3.43Å; V111-L210 VanDerWaalsContact O-CA 3.29Å; V111-L210 WeakPolarHBondContact O-CA 3.43Å; F113-L210 HydrophobicContact CE2-CD1 4.38Å; F113-L210 HydrophobicContact CE2-CD2 4.09Å; A200-L210 HydrophobicContact CB-CD1 3.73Å; P207-L210 HydrophobicContact CB-CD2 4.28Å; P207-L210 HydrophobicContact CG-CD2 3.7Å; L210-L281 HydrophobicContact CB-CB 4.36Å; L210-L281 PolarHBondContact N-O 3.41Å; L210-L281 PolarHBondContact O-N 3.24Å; L210-M283 HydrophobicContact CD1-CE 4.25Å; L210-M283 HydrophobicContact CD2-CE 3.98Å; L210-M283 HydrophobicContact CG-CE 4.29Å; L210-A286 HydrophobicContact CD1-CB 3.54Å
211T98.3Very high91.7Very high0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-123.3121.1168.8-59.90000108.8V111 I112 F113 I213 T278 I279 I280V111-T211 PolarHBondContact O-N 3.49Å; I112-T211 CarbonylContact C-O 3.51Å; I112-T211 WeakPolarHBondContact CA-O 3.37Å; I112-T211 HydrophobicContact CG2-CG2 4.3Å; F113-T211 PolarHBondContact N-O 3.28Å; T211-I213 HydrophobicContact CG2-CB 4.45Å; T211-T278 HydrophobicContact CG2-CG2 4.19Å; T211-I279 CarbonylContact C-O 3.54Å; T211-I279 WeakPolarHBondContact CA-O 3.49Å; T211-I280 HydrophobicContact CG2-CG1 4.26Å
212L98.7Very high91.6Very high3 Ų330.4 Ų30.42%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-93.5124.7169-50.1-177.5000107.3F113 L193 T196 T278 I279 L281F113-L212 HydrophobicContact CB-CD2 3.88Å; F113-L212 HydrophobicContact CD2-CD2 3.97Å; F113-L212 HydrophobicContact CG-CD2 4.33Å; F113-L212 WeakPolarHBondContact O-CA 3.42Å; L193-L212 HydrophobicContact CD1-CD1 3.56Å; T196-L212 HydrophobicContact CG2-CD2 3.85Å; L212-T278 CarbonylContact O-C 3.58Å; L212-T278 WeakPolarHBondContact O-CA 3.32Å; L212-I279 HydrophobicContact CB-CB 4.42Å; L212-I279 PolarHBondContact N-O 2.86Å; L212-I279 PolarHBondContact O-N 3.4Å; L212-L281 HydrophobicContact CD1-CD1 3.91Å; L212-L281 HydrophobicContact CG-CD1 4.17Å
213I98.3Very high91.7Very high0 Ų025 Ų250%014%0.138CC..EExtended strand (participates in β ladder)trans-140.6140.2-178.1-172.3163.8000111.1I112 F113 V114 K115 W131 T211 F217 L219 G277 T278I112-I213 HydrophobicContact CG2-CG2 3.59Å; F113-I213 PolarHBondContact O-N 2.87Å; V114-I213 CarbonylContact C-O 3.56Å; V114-I213 VanDerWaalsContact CA-O 3.27Å; V114-I213 WeakPolarHBondContact CA-O 3.41Å; V114-I213 HydrophobicContact CB-CG2 4.4Å; V114-I213 HydrophobicContact CG2-CG2 3.92Å; K115-I213 PolarHBondContact N-O 3.17Å; W131-I213 HydrophobicContact CH2-CD1 4.14Å; W131-I213 HydrophobicContact CH2-CG2 3.81Å; W131-I213 HydrophobicContact CZ2-CD1 4.3Å; T211-I213 HydrophobicContact CG2-CB 4.45Å; I213-F217 HydrophobicContact CD1-CB 3.87Å; I213-F217 HydrophobicContact CG1-CB 3.74Å; I213-F217 HydrophobicContact CG1-CG 4.42Å; I213-L219 HydrophobicContact CD1-CB 4.03Å; I213-L219 HydrophobicContact CD1-CD1 4.12Å; I213-G277 CarbonylContact C-O 3.51Å; I213-G277 WeakPolarHBondContact CA-O 3.39Å; I213-G277 WeakPolarHBondContact CG1-O 3.45Å; I213-T278 HydrophobicContact CD1-CG2 4.41Å
214D97.5Very high92Very high39 Ų3921.3 Ų21.321%0.20912%0.121CC..EExtended strand (participates in β ladder)trans-76.5150.8172.6-71.3-42.4000111K115 D216 F217 G277K115-D214 WeakPolarHBondContact CB-OD1 3.24Å; K115-D214 WeakPolarHBondContact CE-OD1 3.45Å; K115-D214 IonicContact NZ-OD1 2.95Å; K115-D214 PolarHBondContact NZ-OD1 3.3Å; K115-D214 IonicContact NZ-OD2 2.71Å; K115-D214 PolarHBondContact NZ-OD2 2.79Å; K115-D214 VanDerWaalsContact NZ-OD2 3.08Å; D214-D216 WeakPolarHBondContact CB-OD1 3.42Å; D214-D216 PolarHBondContact O-N 3.43Å; D214-F217 HydrophobicContact CB-CD2 3.75Å; D214-F217 HydrophobicContact CB-CE2 4.1Å; D214-F217 PolarHBondContact O-N 3.02Å; D214-G277 PolarHBondContact N-O 2.88Å; D214-G277 WeakPolarHBondContact OD2-CA 3.37Å; D214-G277 PolarHBondContact OD2-N 3.33Å
215D96.4Very high92.3Very high12 Ų1222 Ų226%0.06412%0.124CC..THydrogen-bonded Turntrans-72.8-8.1-177.866.7-1.2000114.7V114 K115 S116 A117 H120 I127 F217V114-D215 HydrophobicContact CG1-CB 3.81Å; K115-D215 PolarHBondContact O-N 3.25Å; S116-D215 WeakPolarHBondContact CA-OD2 3.31Å; S116-D215 WeakPolarHBondContact CB-OD2 3.42Å; S116-D215 PolarHBondContact OG-OD2 3.03Å; A117-D215 PolarHBondContact N-OD2 3.33Å; H120-D215 VanDerWaalsContact CB-OD2 3.32Å; H120-D215 WeakPolarHBondContact CB-OD2 3.32Å; H120-D215 IonicContact CE1-OD1 3.79Å; H120-D215 IonicContact CE1-OD2 2.65Å; H120-D215 IonicContact CG-OD2 2.91Å; H120-D215 IonicContact ND1-OD1 3.85Å; H120-D215 PolarHBondContact ND1-OD1 2.78Å; H120-D215 IonicContact ND1-OD2 2.7Å; H120-D215 PolarHBondContact ND1-OD2 3.1Å; I127-D215 HydrophobicContact CD1-CB 4Å; D215-F217 VanDerWaalsContact C-N 3.35Å
216D94.3Very high93.4Very high44 Ų4421.3 Ų21.324%0.23511%0.105CC..THydrogen-bonded Turntrans-94.511.417269.3-10.8000113.4D214 H340 G341 Y342D214-D216 WeakPolarHBondContact CB-OD1 3.42Å; D214-D216 PolarHBondContact O-N 3.43Å; D216-H340 IonicContact OD1-CD2 2.81Å; D216-H340 IonicContact OD1-NE2 3.27Å; D216-H340 IonicContact OD2-CD2 3.67Å; D216-H340 PolarHBondContact OD2-CD2 3.11Å; D216-H340 IonicContact OD2-CE1 3.74Å; D216-H340 IonicContact OD2-NE2 3.67Å; D216-H340 PolarHBondContact OD2-NE2 3.5Å; D216-G341 PolarHBondContact O-N 2.83Å; D216-G341 VanDerWaalsContact O-N 3.16Å; D216-Y342 WeakPolarHBondContact O-CA 3.22Å; D216-Y342 PolarHBondContact O-N 3.39Å
217F93.8Very high94.2Very high8 Ų819 Ų194%0.0359%0.09CC..EExtended strand (participates in β ladder)trans-104.5151171.4-77.4-111.5000112.1W131 I213 D214 D215 Y324 I339 H340W131-F217 PolarHBondContact NE1-O 2.98Å; I213-F217 HydrophobicContact CD1-CB 3.87Å; I213-F217 HydrophobicContact CG1-CB 3.74Å; I213-F217 HydrophobicContact CG1-CG 4.42Å; D214-F217 HydrophobicContact CB-CD2 3.75Å; D214-F217 HydrophobicContact CB-CE2 4.1Å; D214-F217 PolarHBondContact O-N 3.02Å; D215-F217 VanDerWaalsContact C-N 3.35Å; F217-Y324 WeakPolarHBondContact CE1-O 3.33Å; F217-I339 VanDerWaalsContact CA-O 3.28Å; F217-I339 WeakPolarHBondContact CA-O 3.46Å; F217-H340 HydrophobicContact CD1-CB 4.33Å; F217-H340 AromaticContact CD2-CD2 3.85Å; F217-H340 HydrophobicContact CE1-CB 3.76Å; F217-H340 HydrophobicContact CE2-CB 4.1Å; F217-H340 AromaticContact CE2-CD2 3.3Å; F217-H340 WeakPolarHBondContact CE2-CD2 3.44Å; F217-H340 HydrophobicContact CZ-CB 3.6Å; F217-H340 AromaticContact CZ-CD2 3.67Å; F217-H340 AromaticContact CZ-CG 3.93Å
218M91.1Very high94.9Very high3 Ų319.5 Ų19.52%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-107.3140.9163.9179.6177.767.500109.8S338 I339 Y342 W352 L355M218-S338 CarbonylContact O-C 3.52Å; M218-S338 WeakPolarHBondContact O-CA 3.36Å; M218-S338 WeakPolarHBondContact O-CB 3.35Å; M218-I339 HydrophobicContact CB-CG2 4.07Å; M218-I339 HydrophobicContact CE-CG2 3.73Å; M218-I339 PolarHBondContact N-O 3.05Å; M218-I339 PolarHBondContact O-N 2.97Å; M218-Y342 HydrophobicContact CB-CD1 3.71Å; M218-Y342 HydrophobicContact CB-CD2 3.8Å; M218-Y342 HydrophobicContact CB-CE1 3.88Å; M218-Y342 HydrophobicContact CB-CE2 4Å; M218-Y342 HydrophobicContact CB-CG 3.71Å; M218-Y342 HydrophobicContact CE-CD1 4.49Å; M218-Y342 HydrophobicContact CE-CE1 3.56Å; M218-Y342 HydrophobicContact CE-CE2 3.96Å; M218-Y342 WeakPolarHBondContact CE-OH 3.49Å; M218-Y342 HydrophobicContact CG-CD1 4.39Å; M218-Y342 HydrophobicContact CG-CE1 4.27Å; M218-Y342 HydrophobicContact SD-CD1 4Å; M218-Y342 HydrophobicContact SD-CE1 3.39Å; M218-Y342 WeakPolarHBondContact SD-CE1 3.46Å; M218-W352 HydrophobicContact CG-CE3 4.32Å; M218-W352 HydrophobicContact SD-CB 4.42Å; M218-W352 HydrophobicContact SD-CE3 3.85Å; M218-L355 HydrophobicContact CE-CD1 3.14Å; M218-L355 HydrophobicContact CE-CG 4.43Å; M218-L355 HydrophobicContact SD-CD1 3.95Å
219L92.9Very high95.2Very high2 Ų220.2 Ų20.21%0.0111%0.114CC..EExtended strand (participates in β ladder)trans-109146.8177.3-171.975.2000110.2I112 W131 F137 I213 P221 L224 I337I112-L219 HydrophobicContact CD1-CD2 3.77Å; W131-L219 HydrophobicContact CB-CB 4.43Å; W131-L219 WeakPolarHBondContact CB-O 3.35Å; W131-L219 HydrophobicContact CD2-CB 3.67Å; W131-L219 HydrophobicContact CE3-CB 3.56Å; W131-L219 HydrophobicContact CE3-CD2 3.77Å; W131-L219 HydrophobicContact CE3-CG 4.33Å; W131-L219 HydrophobicContact CG-CB 4.09Å; W131-L219 HydrophobicContact CZ3-CB 4.03Å; W131-L219 HydrophobicContact CZ3-CD2 3.88Å; F137-L219 HydrophobicContact CZ-CD2 4.08Å; I213-L219 HydrophobicContact CD1-CB 4.03Å; I213-L219 HydrophobicContact CD1-CD1 4.12Å; L219-P221 WeakPolarHBondContact O-CD 3.4Å; L219-L224 HydrophobicContact CD1-CB 4.46Å; L219-L224 HydrophobicContact CD1-CD2 4.1Å; L219-L224 HydrophobicContact CD2-CD2 3.76Å; L219-L224 HydrophobicContact CG-CD2 4.32Å; L219-I337 CarbonylContact C-O 3.57Å; L219-I337 WeakPolarHBondContact CA-O 3.42Å; L219-I337 HydrophobicContact CD1-CG2 4.45Å; L219-I337 WeakPolarHBondContact CD1-O 3.05Å
220H92.4Very high95.2Very high25 Ų2526.8 Ų26.812%0.11614%0.143CC..  trans-103.7103169.6-171.6-42.6000109.8S222 N223 L224 L336 I337 L357H220-S222 PolarHBondContact O-N 2.91Å; H220-N223 HydrophobicContact CB-CB 4.2Å; H220-N223 PolarHBondContact CD2-ND2 3.13Å; H220-N223 PolarHBondContact ND1-N 3.22Å; H220-N223 PolarHBondContact O-N 3.09Å; H220-L224 PolarHBondContact O-N 2.97Å; H220-L336 WeakPolarHBondContact CB-O 3.27Å; H220-I337 PolarHBondContact N-O 3.16Å; H220-L357 VanDerWaalsContact NE2-CD2 3.32Å; H220-L357 WeakPolarHBondContact NE2-CD2 3.24Å
221P92.9Very high95.2Very high3 Ų327.3 Ų27.32%0.01915%0.146CC..Hα-helixtrans-56.2-51.7-171.8-30.538.9000113.9W131 C136 F137 L219 N223 L224 L225W131-P221 HydrophobicContact CB-CG 4.32Å; C136-P221 HydrophobicContact CB-CB 3.93Å; C136-P221 HydrophobicContact CB-CG 3.7Å; F137-P221 HydrophobicContact CD1-CB 4.18Å; F137-P221 HydrophobicContact CE1-CB 3.81Å; F137-P221 HydrophobicContact CE1-CG 4.48Å; F137-P221 HydrophobicContact CE2-CB 4.2Å; F137-P221 HydrophobicContact CE2-CG 4.23Å; F137-P221 HydrophobicContact CZ-CB 3.82Å; F137-P221 HydrophobicContact CZ-CG 4Å; L219-P221 WeakPolarHBondContact O-CD 3.4Å; P221-N223 PolarHBondContact O-N 3.2Å; P221-L224 PolarHBondContact O-N 2.91Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.81Å
222S91.6Very high95.2Very high29 Ų2930.8 Ų30.820%0.20317%0.167CC..Hα-helixtrans-60.6-42.6-178.7-176.60000113.6F140 H220 L225 R226F140-S222 VanDerWaalsContact CZ-OG 3.31Å; F140-S222 WeakPolarHBondContact CZ-OG 2.88Å; H220-S222 PolarHBondContact O-N 2.91Å; S222-L225 PolarHBondContact O-N 3.03Å; S222-R226 WeakPolarHBondContact O-CB 3.43Å; S222-R226 PolarHBondContact O-N 2.86Å
223N93Very high95.1Very high7 Ų736.5 Ų36.54%0.03719%0.194CC..Hα-helixtrans-71.3-34.9178.6-75.1-8.1000112.6H220 P221 R226 T227 G334 L336 I337H220-N223 HydrophobicContact CB-CB 4.2Å; H220-N223 PolarHBondContact CD2-ND2 3.13Å; H220-N223 PolarHBondContact ND1-N 3.22Å; H220-N223 PolarHBondContact O-N 3.09Å; P221-N223 PolarHBondContact O-N 3.2Å; N223-R226 PolarHBondContact OD1-NH1 3.2Å; N223-R226 VanDerWaalsContact OD1-NH1 3.11Å; N223-R226 PolarHBondContact OD1-NH2 2.93Å; N223-R226 VanDerWaalsContact OD1-NH2 3.09Å; N223-T227 WeakPolarHBondContact O-CB 3.21Å; N223-T227 PolarHBondContact O-N 2.83Å; N223-T227 PolarHBondContact O-OG1 3.01Å; N223-G334 PolarHBondContact ND2-O 3.13Å; N223-L336 WeakPolarHBondContact CB-O 3.47Å; N223-L336 PolarHBondContact ND2-N 3.02Å; N223-L336 PolarHBondContact ND2-O 2.89Å; N223-I337 HydrophobicContact CB-CG1 4.33Å
224L95.9Very high95Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-58.2-52.6168.6173.561.8000110L110 F137 L219 H220 P221 R226 T227 L228 I280 I337L110-L224 HydrophobicContact CD2-CD2 3.87Å; F137-L224 HydrophobicContact CE1-CD2 4.36Å; L219-L224 HydrophobicContact CD1-CB 4.46Å; L219-L224 HydrophobicContact CD1-CD2 4.1Å; L219-L224 HydrophobicContact CD2-CD2 3.76Å; L219-L224 HydrophobicContact CG-CD2 4.32Å; H220-L224 PolarHBondContact O-N 2.97Å; P221-L224 PolarHBondContact O-N 2.91Å; L224-R226 PolarHBondContact O-N 3.35Å; L224-T227 WeakPolarHBondContact O-CA 3.49Å; L224-T227 WeakPolarHBondContact O-CB 3.42Å; L224-T227 PolarHBondContact O-N 2.9Å; L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CD1-CD2 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.07Å; L224-L228 HydrophobicContact CG-CD1 4.13Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.46Å; L224-I280 HydrophobicContact CD1-CD1 3.42Å; L224-I280 VanDerWaalsContact CD1-CD1 3.42Å; L224-I280 HydrophobicContact CD1-CG1 4.07Å; L224-I337 HydrophobicContact CB-CG2 4.31Å; L224-I337 HydrophobicContact CD1-CG2 4.29Å
225L95.5Very high95Very high16 Ų1644.9 Ų44.98%0.08424%0.24CC..Hα-helixtrans-62.2-40.8-178.6-65.4-174.8000112.6L110 F137 F140 V142 P221 S222 T227 L228 A229L110-L225 HydrophobicContact CD2-CD2 4.21Å; F137-L225 HydrophobicContact CD1-CD1 4.04Å; F137-L225 HydrophobicContact CD1-CD2 4.03Å; F137-L225 HydrophobicContact CD1-CG 4.11Å; F140-L225 HydrophobicContact CB-CD1 3.51Å; F140-L225 HydrophobicContact CD2-CD1 3.82Å; F140-L225 HydrophobicContact CG-CD1 3.82Å; V142-L225 HydrophobicContact CB-CD1 4.04Å; V142-L225 HydrophobicContact CB-CD2 4.12Å; V142-L225 HydrophobicContact CG1-CD2 3.88Å; V142-L225 HydrophobicContact CG2-CD1 3.82Å; V142-L225 HydrophobicContact CG2-CD2 3.92Å; V142-L225 HydrophobicContact CG2-CG 4.43Å; P221-L225 WeakPolarHBondContact O-CG 3.33Å; P221-L225 PolarHBondContact O-N 2.81Å; S222-L225 PolarHBondContact O-N 3.03Å; L225-T227 PolarHBondContact O-N 3.34Å; L225-L228 HydrophobicContact CD2-CD1 4.39Å; L225-L228 PolarHBondContact O-N 3.41Å; L225-A229 WeakPolarHBondContact O-CB 3.37Å; L225-A229 PolarHBondContact O-N 2.68Å
226R94.7Very high95Very high99 Ų9945.9 Ų45.937%0.37424%0.243SC..Hα-helixtrans-59.3-35.5173.1-177.2172.473.5-149.76.4112.2S222 N223 L224 K230 G334 D335S222-R226 WeakPolarHBondContact O-CB 3.43Å; S222-R226 PolarHBondContact O-N 2.86Å; N223-R226 PolarHBondContact OD1-NH1 3.2Å; N223-R226 VanDerWaalsContact OD1-NH1 3.11Å; N223-R226 PolarHBondContact OD1-NH2 2.93Å; N223-R226 VanDerWaalsContact OD1-NH2 3.09Å; L224-R226 PolarHBondContact O-N 3.35Å; R226-K230 WeakPolarHBondContact O-CG 3.44Å; R226-G334 PolarHBondContact NH2-O 3.44Å; R226-D335 IonicContact CZ-OD1 3.87Å; R226-D335 IonicContact NH2-OD1 2.78Å; R226-D335 PolarHBondContact NH2-OD1 2.92Å
227T96.3Very high95.1Very high24 Ų2448.6 Ų48.615%0.14726%0.257CS..Hα-helixtrans-71.4-46.8176.9-58.70000110.8N223 L224 L225 A229 K230 L320 I337N223-T227 WeakPolarHBondContact O-CB 3.21Å; N223-T227 PolarHBondContact O-N 2.83Å; N223-T227 PolarHBondContact O-OG1 3.01Å; L224-T227 WeakPolarHBondContact O-CA 3.49Å; L224-T227 WeakPolarHBondContact O-CB 3.42Å; L224-T227 PolarHBondContact O-N 2.9Å; L225-T227 PolarHBondContact O-N 3.34Å; T227-A229 VanDerWaalsContact C-N 3.32Å; T227-A229 PolarHBondContact O-N 3.01Å; T227-K230 PolarHBondContact O-N 2.61Å; T227-L320 HydrophobicContact CG2-CD1 4.12Å; T227-L320 HydrophobicContact CG2-CD2 3.81Å; T227-I337 HydrophobicContact CG2-CD1 4.13Å; T227-I337 VanDerWaalsContact OG1-CD1 3.3Å; T227-I337 WeakPolarHBondContact OG1-CD1 3.27Å
228L96.7Very high95.3Very high13 Ų1351.5 Ų51.57%0.06827%0.273CS..Hα-helixtrans-62-37.5178.1-64.8-178.1000112.6L110 F209 L224 L225 K230 V231 I280L110-L228 HydrophobicContact CD1-CD1 4.12Å; L110-L228 HydrophobicContact CD2-CD1 4.28Å; F209-L228 HydrophobicContact CB-CD1 4.16Å; F209-L228 HydrophobicContact CB-CD2 4.14Å; F209-L228 HydrophobicContact CD1-CD2 3.82Å; F209-L228 HydrophobicContact CD2-CB 4.12Å; F209-L228 HydrophobicContact CD2-CD1 4Å; F209-L228 HydrophobicContact CD2-CD2 3.87Å; F209-L228 HydrophobicContact CD2-CG 4.22Å; F209-L228 HydrophobicContact CE1-CD2 4.14Å; F209-L228 HydrophobicContact CE2-CB 4.03Å; F209-L228 HydrophobicContact CE2-CD2 4.18Å; F209-L228 HydrophobicContact CG-CD1 4.21Å; F209-L228 HydrophobicContact CG-CD2 3.68Å; F209-L228 HydrophobicContact CG-CG 4.42Å; F209-L228 HydrophobicContact CZ-CD2 4.31Å; L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CD1-CD2 4.39Å; L224-L228 HydrophobicContact CD1-CG 4.07Å; L224-L228 HydrophobicContact CG-CD1 4.13Å; L224-L228 HydrophobicContact CG-CG 4.38Å; L224-L228 WeakPolarHBondContact O-CG 3.44Å; L224-L228 PolarHBondContact O-N 3.46Å; L225-L228 HydrophobicContact CD2-CD1 4.39Å; L225-L228 PolarHBondContact O-N 3.41Å; L228-K230 PolarHBondContact O-N 3.39Å; L228-V231 WeakPolarHBondContact O-CB 3.38Å; L228-V231 WeakPolarHBondContact O-CG2 3.47Å; L228-V231 PolarHBondContact O-N 3.23Å; L228-I280 HydrophobicContact CD2-CG2 3.58Å
229A95.6Very high95.6Very high86 Ų8651.9 Ų51.971%0.71127%0.274SS*.THydrogen-bonded Turntrans-65.8-19.9178.200000114L225 T227L225-A229 WeakPolarHBondContact O-CB 3.37Å; L225-A229 PolarHBondContact O-N 2.68Å; T227-A229 VanDerWaalsContact C-N 3.32Å; T227-A229 PolarHBondContact O-N 3.01Å
230K96.6Very high95.9Very high149 Ų14951.8 Ų51.865%0.64827%0.274SS*.THydrogen-bonded Turntrans-86-9.6177.4-69173.5-178-178.10113.3R226 T227 L228 T232R226-K230 WeakPolarHBondContact O-CG 3.44Å; T227-K230 PolarHBondContact O-N 2.61Å; L228-K230 PolarHBondContact O-N 3.39Å; K230-T232 PolarHBondContact O-N 2.97Å
231V97.6Very high96.2Very high12 Ų1250.6 Ų50.67%0.07327%0.268CS..  trans-73.9111.8-179.2-177.80000109.4F209 L228 Q235 Y239F209-V231 HydrophobicContact CE1-CB 4.41Å; F209-V231 HydrophobicContact CE1-CG1 4.23Å; F209-V231 HydrophobicContact CE1-CG2 4.31Å; F209-V231 HydrophobicContact CZ-CB 3.89Å; F209-V231 HydrophobicContact CZ-CG1 4.03Å; F209-V231 HydrophobicContact CZ-CG2 4.09Å; L228-V231 WeakPolarHBondContact O-CB 3.38Å; L228-V231 WeakPolarHBondContact O-CG2 3.47Å; L228-V231 PolarHBondContact O-N 3.23Å; V231-Q235 HydrophobicContact CG1-CB 3.98Å; V231-Y239 HydrophobicContact CG1-CD1 4.48Å; V231-Y239 HydrophobicContact CG1-CD2 3.75Å; V231-Y239 HydrophobicContact CG1-CE2 4.2Å; V231-Y239 HydrophobicContact CG1-CG 3.9Å; V231-Y239 HydrophobicContact CG2-CD1 4.29Å; V231-Y239 HydrophobicContact CG2-CD2 3.95Å; V231-Y239 HydrophobicContact CG2-CE1 3.9Å; V231-Y239 HydrophobicContact CG2-CE2 3.53Å; V231-Y239 HydrophobicContact CG2-CG 4.3Å; V231-Y239 VanDerWaalsContact CG2-CZ 3.49Å
232T97.6Very high96.4Very high73 Ų7350.4 Ų50.445%0.44827%0.267SS..  trans-67.3157.8176.262.40000111.6K230 T234 Q235 Y236K230-T232 PolarHBondContact O-N 2.97Å; T232-T234 PolarHBondContact O-N 3.09Å; T232-Q235 PolarHBondContact O-N 3.08Å; T232-Q235 VanDerWaalsContact O-N 3.11Å; T232-Q235 WeakPolarHBondContact OG1-CB 2.95Å; T232-Q235 VanDerWaalsContact OG1-CD 3.3Å; T232-Q235 VanDerWaalsContact OG1-CG 3.24Å; T232-Q235 WeakPolarHBondContact OG1-CG 2.94Å; T232-Q235 PolarHBondContact OG1-N 3.08Å; T232-Q235 PolarHBondContact OG1-OE1 3.21Å; T232-Y236 WeakPolarHBondContact O-CB 3.37Å; T232-Y236 PolarHBondContact O-N 3.48Å
233E95.7Very high96.7Very high122 Ų12250.3 Ų50.357%0.5726%0.264SS*.Hα-helixtrans-58.6-33.2176.2-65.2-50.312700112.9R208 Y236R208-E233 IonicContact CZ-OE1 2.65Å; R208-E233 VanDerWaalsContact CZ-OE1 3.27Å; R208-E233 IonicContact CZ-OE2 3.41Å; R208-E233 IonicContact NH1-OE1 2.65Å; R208-E233 PolarHBondContact NH1-OE1 3.27Å; R208-E233 IonicContact NH1-OE2 3.29Å; R208-E233 PolarHBondContact NH1-OE2 3.29Å; R208-E233 IonicContact NH2-OE1 3.08Å; R208-E233 PolarHBondContact NH2-OE1 3.34Å; R208-E233 IonicContact NH2-OE2 3.88Å; E233-Y236 WeakPolarHBondContact O-CB 3.44Å; E233-Y236 PolarHBondContact O-N 2.88Å
234T96.6Very high97Very high120 Ų12050.4 Ų50.474%0.73627%0.265SS*.Hα-helixtrans-68.8-41.4175.6-51.60000111.9T232 Y236T232-T234 PolarHBondContact O-N 3.09Å; T234-Y236 VanDerWaalsContact C-N 3.34Å
235Q97.7Very high97Very high95 Ų9553 Ų5344%0.44428%0.278SS..Hα-helixtrans-67.8-37.8176.3-73.8166.5-43.400111.5V231 T232 L237 N238 Y239V231-Q235 HydrophobicContact CG1-CB 3.98Å; T232-Q235 PolarHBondContact O-N 3.08Å; T232-Q235 VanDerWaalsContact O-N 3.11Å; T232-Q235 WeakPolarHBondContact OG1-CB 2.95Å; T232-Q235 VanDerWaalsContact OG1-CD 3.3Å; T232-Q235 VanDerWaalsContact OG1-CG 3.24Å; T232-Q235 WeakPolarHBondContact OG1-CG 2.94Å; T232-Q235 PolarHBondContact OG1-N 3.08Å; T232-Q235 PolarHBondContact OG1-OE1 3.21Å; Q235-L237 PolarHBondContact O-N 3.46Å; Q235-L237 VanDerWaalsContact O-N 3.15Å; Q235-N238 CarbonylContact O-C 3.52Å; Q235-N238 PolarHBondContact O-N 3.14Å; Q235-Y239 WeakPolarHBondContact O-CB 3.39Å; Q235-Y239 PolarHBondContact O-N 2.65Å
236Y97.3Very high97.1Very high33 Ų3360 Ų6013%0.12930%0.304CS..Hα-helixtrans-50.5-40.8-175.6175.7-107.6000113.3R208 F209 T232 E233 T234 N238 Y239 S282 P284R208-Y236 HydrophobicContact CB-CE2 4.35Å; R208-Y236 HydrophobicContact CG-CD2 3.94Å; R208-Y236 HydrophobicContact CG-CE2 3.24Å; R208-Y236 WeakPolarHBondContact O-CE2 3.14Å; R208-Y236 PolarHBondContact O-OH 2.93Å; F209-Y236 AromaticContact CE1-CD2 3.86Å; F209-Y236 HydrophobicContact CE1-CD2 3.86Å; F209-Y236 HydrophobicContact CE1-CE2 4.12Å; F209-Y236 AromaticContact CZ-CD2 3.92Å; F209-Y236 HydrophobicContact CZ-CD2 3.92Å; F209-Y236 HydrophobicContact CZ-CE2 4.28Å; T232-Y236 WeakPolarHBondContact O-CB 3.37Å; T232-Y236 PolarHBondContact O-N 3.48Å; E233-Y236 WeakPolarHBondContact O-CB 3.44Å; E233-Y236 PolarHBondContact O-N 2.88Å; T234-Y236 VanDerWaalsContact C-N 3.34Å; Y236-N238 PolarHBondContact O-N 3.18Å; Y236-N238 VanDerWaalsContact O-N 3.15Å; Y236-Y239 PolarHBondContact O-N 2.83Å; Y236-S282 WeakPolarHBondContact O-CB 3.48Å; Y236-S282 PolarHBondContact O-OG 2.79Å; Y236-P284 HydrophobicContact CD1-CG 4.46Å; Y236-P284 HydrophobicContact CE1-CG 3.85Å
237L95.6Very high97.1Very high101 Ų10160.8 Ų60.853%0.52932%0.319SS..THydrogen-bonded Turntrans-61-25.8-177.9-63.4176.1000114.2Q235Q235-L237 PolarHBondContact O-N 3.46Å; Q235-L237 VanDerWaalsContact O-N 3.15Å
238N97.1Very high97.1Very high69 Ų6960.8 Ų60.837%0.36932%0.32SS..THydrogen-bonded Turntrans-128.423.1-178.6-62.3-56000111.6Y64 Q235 Y236 I240 I315Y64-N238 PolarHBondContact OH-OD1 3.34Å; Q235-N238 CarbonylContact O-C 3.52Å; Q235-N238 PolarHBondContact O-N 3.14Å; Y236-N238 PolarHBondContact O-N 3.18Å; Y236-N238 VanDerWaalsContact O-N 3.15Å; N238-I240 PolarHBondContact O-N 3.12Å; N238-I315 HydrophobicContact CB-CD1 4.33Å; N238-I315 HydrophobicContact CB-CG1 4.23Å; N238-I315 HydrophobicContact CB-CG2 4.27Å; N238-I315 WeakPolarHBondContact O-CG2 3.43Å
239Y98.4Very high97Very high11 Ų1167.5 Ų67.54%0.04335%0.348CS..  trans-81.4116.8-172.2-169.8-98.4000111.9F209 V231 Q235 Y236 A241 I280 S282 V285 V318F209-Y239 HydrophobicContact CD1-CD1 4.27Å; F209-Y239 AromaticContact CE1-CD1 3.85Å; F209-Y239 HydrophobicContact CE1-CD1 3.85Å; F209-Y239 HydrophobicContact CE1-CE1 4.29Å; F209-Y239 HydrophobicContact CE1-CG 4.5Å; V231-Y239 HydrophobicContact CG1-CD1 4.48Å; V231-Y239 HydrophobicContact CG1-CD2 3.75Å; V231-Y239 HydrophobicContact CG1-CE2 4.2Å; V231-Y239 HydrophobicContact CG1-CG 3.9Å; V231-Y239 HydrophobicContact CG2-CD1 4.29Å; V231-Y239 HydrophobicContact CG2-CD2 3.95Å; V231-Y239 HydrophobicContact CG2-CE1 3.9Å; V231-Y239 HydrophobicContact CG2-CE2 3.53Å; V231-Y239 HydrophobicContact CG2-CG 4.3Å; V231-Y239 VanDerWaalsContact CG2-CZ 3.49Å; Q235-Y239 WeakPolarHBondContact O-CB 3.39Å; Q235-Y239 PolarHBondContact O-N 2.65Å; Y236-Y239 PolarHBondContact O-N 2.83Å; Y239-A241 HydrophobicContact CE1-CB 3.84Å; Y239-A241 HydrophobicContact CE2-CB 4.23Å; Y239-A241 WeakPolarHBondContact OH-CB 3.36Å; Y239-I280 HydrophobicContact CE1-CG2 3.92Å; Y239-S282 PolarHBondContact N-OG 2.99Å; Y239-S282 PolarHBondContact O-N 3.25Å; Y239-S282 PolarHBondContact O-OG 2.83Å; Y239-V285 WeakPolarHBondContact O-CG2 3.48Å; Y239-V318 HydrophobicContact CD2-CG2 4.41Å; Y239-V318 HydrophobicContact CE2-CB 4.47Å; Y239-V318 HydrophobicContact CE2-CG2 4.26Å
240I98.7Very high97Very high0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-140.9133.8164.9170.1162.2000108.2N238 P274 I279 I280 L281 V285 L289 I306 L310 I315 P317 V318N238-I240 PolarHBondContact O-N 3.12Å; I240-P274 HydrophobicContact CD1-CG 3.89Å; I240-P274 HydrophobicContact CG1-CG 3.97Å; I240-I279 HydrophobicContact CD1-CG2 3.98Å; I240-I279 HydrophobicContact CG1-CG2 4.02Å; I240-I280 CarbonylContact C-O 3.46Å; I240-I280 VanDerWaalsContact CA-O 3.26Å; I240-I280 WeakPolarHBondContact CA-O 3.4Å; I240-L281 HydrophobicContact CB-CD2 3.76Å; I240-L281 HydrophobicContact CD1-CD2 3.18Å; I240-L281 HydrophobicContact CG1-CD2 3.37Å; I240-V285 HydrophobicContact CB-CG1 4.03Å; I240-V285 HydrophobicContact CG2-CG1 4.21Å; I240-L289 HydrophobicContact CD1-CD1 4.46Å; I240-I306 HydrophobicContact CD1-CG2 3.57Å; I240-L310 HydrophobicContact CD1-CD1 3.95Å; I240-L310 HydrophobicContact CD1-CD2 4.21Å; I240-L310 HydrophobicContact CG2-CD1 3.98Å; I240-L310 HydrophobicContact CG2-CD2 3.82Å; I240-I315 HydrophobicContact CG2-CG2 3.92Å; I240-P317 HydrophobicContact CG2-CB 4.22Å; I240-P317 WeakPolarHBondContact O-CA 3.3Å; I240-V318 PolarHBondContact O-N 3.04Å
241A98.6Very high96.9Very high0 Ų060.6 Ų60.60%031%0.305CS..EExtended strand (participates in β ladder)trans-146.5156.5-171.300000113.2Y239 I280 V318 L320Y239-A241 HydrophobicContact CE1-CB 3.84Å; Y239-A241 HydrophobicContact CE2-CB 4.23Å; Y239-A241 WeakPolarHBondContact OH-CB 3.36Å; A241-I280 PolarHBondContact N-O 3.36Å; A241-I280 PolarHBondContact O-N 2.85Å; A241-V318 WeakPolarHBondContact CA-O 3.32Å; A241-V318 HydrophobicContact CB-CB 3.95Å; A241-V318 WeakPolarHBondContact CB-O 3.33Å; A241-L320 HydrophobicContact CB-CD1 3.69Å; A241-L320 HydrophobicContact CB-CD2 4.42Å; A241-L320 HydrophobicContact CB-CG 3.92Å
242G98.3Very high96.8Very high0 Ų060.5 Ų60.50%030%0.304CS..EExtended strand (participates in β ladder)trans166.3-157.7178.700000111.6V244 V318 H319 L320G242-V244 PolarHBondContact O-N 2.99Å; G242-V244 VanDerWaalsContact O-N 3.1Å; G242-V318 PolarHBondContact N-O 3.36Å; G242-V318 VanDerWaalsContact N-O 3.09Å; G242-H319 WeakPolarHBondContact O-CA 3.31Å; G242-L320 PolarHBondContact O-N 3.32Å
243N97.4Very high96.5Very high27 Ų2761.4 Ų61.414%0.14430%0.302CS..EExtended strand (participates in β ladder)trans-77.693.5169.4-172.3-87.2000109.8M245 S275 V323 V325N243-M245 PolarHBondContact O-N 3.45Å; N243-M245 WeakPolarHBondContact OD1-CE 3.23Å; N243-S275 WeakPolarHBondContact O-CB 3.49Å; N243-S275 PolarHBondContact O-N 2.79Å; N243-V323 HydrophobicContact CB-CB 4.35Å; N243-V323 HydrophobicContact CB-CG1 3.93Å; N243-V323 PolarHBondContact ND2-O 2.8Å; N243-V323 VanDerWaalsContact ND2-O 3.09Å; N243-V325 HydrophobicContact CB-CG1 3.57Å
244V98.4Very high96.3Very high9 Ų961.4 Ų61.46%0.05531%0.305CS..EExtended strand (participates in β ladder)trans-76.1119.2-174.7177.50000112.7G242 R246 A272 F273 P317 V318 H319G242-V244 PolarHBondContact O-N 2.99Å; G242-V244 VanDerWaalsContact O-N 3.1Å; V244-R246 HydrophobicContact CG1-CG 3.99Å; V244-R246 PolarHBondContact O-N 3.43Å; V244-A272 HydrophobicContact CG1-CB 4.33Å; V244-F273 CarbonylContact C-O 3.46Å; V244-F273 WeakPolarHBondContact CA-O 3.32Å; V244-P317 HydrophobicContact CG1-CG 3.9Å; V244-P317 HydrophobicContact CG2-CB 3.82Å; V244-P317 HydrophobicContact CG2-CG 4.03Å; V244-V318 WeakPolarHBondContact CG2-O 3.36Å; V244-H319 HydrophobicContact CB-CB 4.01Å; V244-H319 HydrophobicContact CG2-CB 4.14Å; V244-H319 PolarHBondContact N-ND1 3.16Å
245M97.5Very high96Very high55 Ų5564.2 Ų64.227%0.27131%0.307SS..EExtended strand (participates in β ladder)trans-84.2101.3169.1-62.6-63.5168.400109.4N243 S248 A272 F273 V325N243-M245 PolarHBondContact O-N 3.45Å; N243-M245 WeakPolarHBondContact OD1-CE 3.23Å; M245-S248 WeakPolarHBondContact CB-OG 3.48Å; M245-A272 WeakPolarHBondContact O-CA 3.15Å; M245-F273 HydrophobicContact CB-CD2 4.23Å; M245-F273 HydrophobicContact CB-CE1 4.38Å; M245-F273 HydrophobicContact CB-CE2 3.92Å; M245-F273 HydrophobicContact CB-CZ 3.99Å; M245-F273 HydrophobicContact CG-CD2 4.42Å; M245-F273 HydrophobicContact CG-CE2 3.92Å; M245-F273 HydrophobicContact CG-CZ 4.29Å; M245-F273 PolarHBondContact N-O 3.32Å; M245-F273 PolarHBondContact O-N 2.82Å; M245-V325 HydrophobicContact CE-CG2 4.18Å
246R96.8Very high95.9Very high163 Ų16360.9 Ų60.962%0.61529%0.294SS*.SBendtrans-81.5-34.1-174.3-64.3-176.717991.2-3.9113.9V244V244-R246 HydrophobicContact CG1-CG 3.99Å; V244-R246 PolarHBondContact O-N 3.43Å
247V94.7Very high95.7Very high115 Ų11565.3 Ų65.370%0.69732%0.315SS*.SBendtrans-135.989.2-176.5-174.40000108.5L269V247-L269 HydrophobicContact CG1-CD1 4.5Å; V247-L269 HydrophobicContact CG1-CD2 3.98Å
248S95.4Very high95.6Very high23 Ų2366.8 Ų66.816%0.16131%0.313CS..BIsolated β-bridgetrans-114.4131.7-178.6-72.80000111.5M245 L269 Y270M245-S248 WeakPolarHBondContact CB-OG 3.48Å; S248-L269 CarbonylContact O-C 3.6Å; S248-L269 WeakPolarHBondContact O-CA 3.5Å; S248-Y270 PolarHBondContact O-N 3.3Å
249K94.6Very high95.5Very high155 Ų15566.7 Ų66.767%0.67431%0.308SS*.PPolyproline II helixtrans-95.1135.1174.8-73.5-175.2176.4-172.30110.6M251 L269K249-M251 PolarHBondContact O-N 3.42Å; K249-L269 HydrophobicContact CG-CD2 3.66Å
250P95.6Very high95.4Very high12 Ų1266.4 Ų66.48%0.07831%0.307CS..PPolyproline II helixtrans-58.5132.1169.9-20.831.9000110.9R252 I260 Y265 S268 Y270P250-R252 PolarHBondContact O-N 3.34Å; P250-I260 HydrophobicContact CB-CG2 3.64Å; P250-Y265 HydrophobicContact CB-CD1 4.28Å; P250-Y265 HydrophobicContact CG-CD1 3.57Å; P250-Y265 HydrophobicContact CG-CE1 3.59Å; P250-S268 WeakPolarHBondContact CD-O 3.38Å; P250-Y270 HydrophobicContact CB-CE1 4.03Å; P250-Y270 HydrophobicContact CB-CE2 4.11Å; P250-Y270 HydrophobicContact CG-CD1 4.09Å; P250-Y270 HydrophobicContact CG-CD2 4.45Å; P250-Y270 HydrophobicContact CG-CE1 3.69Å; P250-Y270 HydrophobicContact CG-CE2 4.12Å; P250-Y270 HydrophobicContact CG-CG 4.45Å
251M95.1Very high95.2Very high77 Ų7767.1 Ų67.138%0.37931%0.312SS..BIsolated β-bridgetrans-77.5118.8177.4-171.561.165.700109.4K249 F253 S256 W258 Y259 I260K249-M251 PolarHBondContact O-N 3.42Å; M251-F253 HydrophobicContact CG-CB 4.32Å; M251-F253 HydrophobicContact SD-CB 4.11Å; M251-S256 VanDerWaalsContact CG-CB 3.44Å; M251-S256 WeakPolarHBondContact CG-OG 3.32Å; M251-W258 HydrophobicContact CB-CB 4.03Å; M251-W258 WeakPolarHBondContact CB-O 3.4Å; M251-Y259 CarbonylContact O-C 3.48Å; M251-Y259 VanDerWaalsContact O-CA 3.29Å; M251-Y259 WeakPolarHBondContact O-CA 3.36Å; M251-I260 PolarHBondContact O-N 3.1Å
252R94.8Very high95Very high10 Ų1068.5 Ų68.54%0.03832%0.317CS..  trans-104.13.2-177.1-60.1-52.6-175.81760.7113.3Y45 N46 P250 L254 Y259 I260 S261 Y262 Y265 Y267Y45-R252 HydrophobicContact CD1-CB 4.32Å; Y45-R252 HydrophobicContact CE1-CB 3.96Å; N46-R252 WeakPolarHBondContact OD1-CB 3.34Å; P250-R252 PolarHBondContact O-N 3.34Å; R252-L254 PolarHBondContact O-N 3.18Å; R252-Y259 WeakPolarHBondContact O-CE2 3.37Å; R252-I260 WeakPolarHBondContact CD-O 3.38Å; R252-I260 PolarHBondContact NH1-O 2.99Å; R252-S261 PolarHBondContact NH1-O 2.86Å; R252-Y262 HydrophobicContact CG-CE2 4.11Å; R252-Y265 PolarHBondContact NH1-O 2.92Å; R252-Y265 VanDerWaalsContact NH1-O 3.16Å; R252-Y265 PolarHBondContact NH2-O 2.85Å; R252-Y267 PolarHBondContact NH2-O 3.48Å
253F92.1Very high94.7Very high92 Ų9273.3 Ų73.340%0.40435%0.351SS..  trans-79.6115.7175.8-175.9-122.9000110.7Y42 M251 F255 S256 Y259Y42-F253 HydrophobicContact CE2-CD2 4.32Å; Y42-F253 WeakPolarHBondContact OH-CB 3.16Å; M251-F253 HydrophobicContact CG-CB 4.32Å; M251-F253 HydrophobicContact SD-CB 4.11Å; F253-F255 HydrophobicContact CD1-CB 4.15Å; F253-F255 HydrophobicContact CE1-CB 3.59Å; F253-F255 HydrophobicContact CE1-CD2 4.12Å; F253-F255 HydrophobicContact CE1-CG 4.36Å; F253-F255 AromaticContact CE2-CD2 3.87Å; F253-F255 HydrophobicContact CE2-CD2 3.87Å; F253-F255 HydrophobicContact CZ-CB 3.95Å; F253-F255 AromaticContact CZ-CD2 3.56Å; F253-F255 HydrophobicContact CZ-CD2 3.56Å; F253-F255 HydrophobicContact CZ-CG 4.22Å; F253-F255 PolarHBondContact O-N 3.4Å; F253-F255 VanDerWaalsContact O-N 3.08Å; F253-S256 VanDerWaalsContact O-CB 3.31Å; F253-S256 WeakPolarHBondContact O-CB 3.32Å; F253-S256 PolarHBondContact O-N 3.47Å; F253-Y259 WeakPolarHBondContact O-CB 3.39Å; F253-Y259 WeakPolarHBondContact O-CD2 3.27Å
254L90.7Very high94.5Very high122 Ų12275.4 Ų75.464%0.63936%0.363SS*.THydrogen-bonded Turntrans-55.6-27.6-173.3-77.2162.9000115.2R252 Y259R252-L254 PolarHBondContact O-N 3.18Å; L254-Y259 HydrophobicContact CD2-CD1 4.27Å; L254-Y259 HydrophobicContact CD2-CD2 4.24Å; L254-Y259 HydrophobicContact CD2-CE1 3.69Å; L254-Y259 HydrophobicContact CD2-CE2 3.66Å; L254-Y259 HydrophobicContact CG-CD2 4.44Å; L254-Y259 HydrophobicContact CG-CE2 3.99Å
255F91.8Very high94.3Very high179 Ų17975 Ų7579%0.78536%0.36SS*.THydrogen-bonded Turntrans-92.52.2179.7-56-76.8000113.5F253F253-F255 HydrophobicContact CD1-CB 4.15Å; F253-F255 HydrophobicContact CE1-CB 3.59Å; F253-F255 HydrophobicContact CE1-CD2 4.12Å; F253-F255 HydrophobicContact CE1-CG 4.36Å; F253-F255 AromaticContact CE2-CD2 3.87Å; F253-F255 HydrophobicContact CE2-CD2 3.87Å; F253-F255 HydrophobicContact CZ-CB 3.95Å; F253-F255 AromaticContact CZ-CD2 3.56Å; F253-F255 HydrophobicContact CZ-CD2 3.56Å; F253-F255 HydrophobicContact CZ-CG 4.22Å; F253-F255 PolarHBondContact O-N 3.4Å; F253-F255 VanDerWaalsContact O-N 3.08Å
256S94.1Very high94.1Very high25 Ų2574.7 Ų74.718%0.17536%0.362CS..SBendtrans-79.7138.1172.2-176.70000110.4M251 F253 W258 Y259M251-S256 VanDerWaalsContact CG-CB 3.44Å; M251-S256 WeakPolarHBondContact CG-OG 3.32Å; F253-S256 VanDerWaalsContact O-CB 3.31Å; F253-S256 WeakPolarHBondContact O-CB 3.32Å; F253-S256 PolarHBondContact O-N 3.47Å; S256-W258 PolarHBondContact O-N 2.93Å; S256-W258 VanDerWaalsContact O-N 3.13Å; S256-W258 PolarHBondContact OG-N 3.08Å; S256-W258 VanDerWaalsContact OG-N 3.1Å; S256-Y259 WeakPolarHBondContact O-CB 3.49Å; S256-Y259 PolarHBondContact O-N 2.9Å
257K93.3Very high93.9Very high127 Ų12767.5 Ų67.555%0.55234%0.335SS*.THydrogen-bonded Turntrans-60-18.8167.867.4175.3-176.3174.40113.4
258W94.6Very high93.9Very high131 Ų13164.2 Ų64.250%0.49632%0.317SS..THydrogen-bonded Turntrans-97.613.4176.9-55.7-48.3000113Y186 M251 S256 I260 F301Y186-W258 PolarHBondContact OH-NE1 2.99Å; M251-W258 HydrophobicContact CB-CB 4.03Å; M251-W258 WeakPolarHBondContact CB-O 3.4Å; S256-W258 PolarHBondContact O-N 2.93Å; S256-W258 VanDerWaalsContact O-N 3.13Å; S256-W258 PolarHBondContact OG-N 3.08Å; S256-W258 VanDerWaalsContact OG-N 3.1Å; W258-I260 PolarHBondContact O-N 3.27Å; W258-F301 HydrophobicContact CB-CE1 4.44Å; W258-F301 HydrophobicContact CB-CZ 4.5Å; W258-F301 VanDerWaalsContact O-CZ 3.3Å; W258-F301 WeakPolarHBondContact O-CZ 3.33Å
259Y95.6Very high93.9Very high68 Ų6865.5 Ų65.527%0.26732%0.322SS..BIsolated β-bridgetrans-58.2135.6-179.5173.6-104.4000112.1M251 R252 F253 L254 S256M251-Y259 CarbonylContact O-C 3.48Å; M251-Y259 VanDerWaalsContact O-CA 3.29Å; M251-Y259 WeakPolarHBondContact O-CA 3.36Å; R252-Y259 WeakPolarHBondContact O-CE2 3.37Å; F253-Y259 WeakPolarHBondContact O-CB 3.39Å; F253-Y259 WeakPolarHBondContact O-CD2 3.27Å; L254-Y259 HydrophobicContact CD2-CD1 4.27Å; L254-Y259 HydrophobicContact CD2-CD2 4.24Å; L254-Y259 HydrophobicContact CD2-CE1 3.69Å; L254-Y259 HydrophobicContact CD2-CE2 3.66Å; L254-Y259 HydrophobicContact CG-CD2 4.44Å; L254-Y259 HydrophobicContact CG-CE2 3.99Å; S256-Y259 WeakPolarHBondContact O-CB 3.49Å; S256-Y259 PolarHBondContact O-N 2.9Å
260I95.2Very high94Very high5 Ų558.9 Ų58.93%0.02629%0.293CS..  trans-142138.8168.8-172.1162.3000111.2P250 M251 R252 W258 D264 Y265 Y270 L299 F301P250-I260 HydrophobicContact CB-CG2 3.64Å; M251-I260 PolarHBondContact O-N 3.1Å; R252-I260 WeakPolarHBondContact CD-O 3.38Å; R252-I260 PolarHBondContact NH1-O 2.99Å; W258-I260 PolarHBondContact O-N 3.27Å; I260-D264 HydrophobicContact CD1-CB 4.09Å; I260-D264 HydrophobicContact CG1-CB 3.74Å; I260-Y265 HydrophobicContact CD1-CG 4.49Å; I260-Y270 VanDerWaalsContact CG2-OH 3.32Å; I260-Y270 WeakPolarHBondContact CG2-OH 3.1Å; I260-L299 HydrophobicContact CD1-CB 4.5Å; I260-L299 HydrophobicContact CD1-CD1 3.8Å; I260-L299 HydrophobicContact CD1-CD2 3.69Å; I260-L299 HydrophobicContact CD1-CG 4.2Å; I260-F301 HydrophobicContact CB-CE2 4.01Å; I260-F301 HydrophobicContact CB-CZ 4.49Å; I260-F301 HydrophobicContact CD1-CE2 4.12Å; I260-F301 HydrophobicContact CG2-CE2 4.37Å
261S94.9Very high94Very high14 Ų1458.6 Ų58.610%0.09829%0.291CS..  trans-80.6156.7-179.876.80000112R252 S263 D264 Y265R252-S261 PolarHBondContact NH1-O 2.86Å; S261-S263 PolarHBondContact O-N 3.14Å; S261-S263 PolarHBondContact OG-OG 3.42Å; S261-D264 PolarHBondContact O-N 2.91Å; S261-D264 VanDerWaalsContact O-N 3.11Å; S261-D264 WeakPolarHBondContact OG-CB 3.43Å; S261-D264 PolarHBondContact OG-N 3Å; S261-D264 PolarHBondContact OG-OD2 3.24Å; S261-Y265 PolarHBondContact O-N 2.76Å
262Y93.7Very high94.1Very high29 Ų2956.7 Ų56.711%0.11429%0.287CS..THydrogen-bonded Turntrans-65.6-27.8173.3-78.8-79.1000113.2Y45 N46 Q48 R252 D264 Y265 P266Y45-Y262 HydrophobicContact CD1-CE2 4.11Å; Y45-Y262 HydrophobicContact CD2-CD2 4.23Å; Y45-Y262 HydrophobicContact CD2-CE2 4.16Å; Y45-Y262 HydrophobicContact CE1-CD2 4.11Å; Y45-Y262 AromaticContact CE1-CE2 3.88Å; Y45-Y262 HydrophobicContact CE1-CE2 3.88Å; Y45-Y262 AromaticContact CE2-CD2 3.61Å; Y45-Y262 HydrophobicContact CE2-CD2 3.61Å; Y45-Y262 AromaticContact CE2-CE2 3.93Å; Y45-Y262 HydrophobicContact CE2-CE2 3.93Å; Y45-Y262 HydrophobicContact CG-CE2 4.25Å; Y45-Y262 AromaticContact CZ-CD2 3.54Å; Y45-Y262 AromaticContact CZ-CE2 3.78Å; Y45-Y262 WeakPolarHBondContact O-CE2 3.45Å; Y45-Y262 PolarHBondContact O-OH 2.98Å; N46-Y262 VanDerWaalsContact C-OH 3.23Å; N46-Y262 PolarHBondContact O-OH 3.07Å; Q48-Y262 HydrophobicContact CG-CD1 4.12Å; Q48-Y262 HydrophobicContact CG-CD2 4.07Å; Q48-Y262 HydrophobicContact CG-CE1 3.77Å; Q48-Y262 HydrophobicContact CG-CE2 3.67Å; Q48-Y262 HydrophobicContact CG-CG 4.26Å; Q48-Y262 VanDerWaalsContact CG-CZ 3.48Å; R252-Y262 HydrophobicContact CG-CE2 4.11Å; Y262-D264 PolarHBondContact O-N 3.43Å; Y262-Y265 WeakPolarHBondContact CA-O 3.34Å; Y262-Y265 CarbonylContact O-C 3.52Å; Y262-Y265 VanDerWaalsContact O-C 3.27Å; Y262-P266 VanDerWaalsContact O-CA 3.3Å; Y262-P266 WeakPolarHBondContact O-CA 3.39Å
263S92.5Very high94.3Very high102 Ų10256.7 Ų56.771%0.71329%0.288SS*.THydrogen-bonded Turntrans-66.4-29171.541.50000112.5S261 K297S261-S263 PolarHBondContact O-N 3.14Å; S261-S263 PolarHBondContact OG-OG 3.42Å; S263-K297 PolarHBondContact O-NZ 3.06Å
264D92.6Very high94.5Very high71 Ų7152.3 Ų52.338%0.3827%0.269SS..THydrogen-bonded Turntrans-83.3-39.3176.1-66.3-43.1000113.2I260 S261 Y262 K297I260-D264 HydrophobicContact CD1-CB 4.09Å; I260-D264 HydrophobicContact CG1-CB 3.74Å; S261-D264 PolarHBondContact O-N 2.91Å; S261-D264 VanDerWaalsContact O-N 3.11Å; S261-D264 WeakPolarHBondContact OG-CB 3.43Å; S261-D264 PolarHBondContact OG-N 3Å; S261-D264 PolarHBondContact OG-OD2 3.24Å; Y262-D264 PolarHBondContact O-N 3.43Å; D264-K297 IonicContact OD1-NZ 3.63Å; D264-K297 PolarHBondContact OD1-NZ 2.78Å
265Y94Very high94.8Very high1 Ų147.4 Ų47.40%0.00425%0.245CC..  trans-144.5106.6178.1-172.5-99.2000109.4P250 R252 I260 S261 Y262 Y267 L269 Y270 L299 L308P250-Y265 HydrophobicContact CB-CD1 4.28Å; P250-Y265 HydrophobicContact CG-CD1 3.57Å; P250-Y265 HydrophobicContact CG-CE1 3.59Å; R252-Y265 PolarHBondContact NH1-O 2.92Å; R252-Y265 VanDerWaalsContact NH1-O 3.16Å; R252-Y265 PolarHBondContact NH2-O 2.85Å; I260-Y265 HydrophobicContact CD1-CG 4.49Å; S261-Y265 PolarHBondContact O-N 2.76Å; Y262-Y265 WeakPolarHBondContact CA-O 3.34Å; Y262-Y265 CarbonylContact O-C 3.52Å; Y262-Y265 VanDerWaalsContact O-C 3.27Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 HydrophobicContact CD2-CD2 4.16Å; Y265-Y267 HydrophobicContact CE1-CD2 4.11Å; Y265-Y267 HydrophobicContact CE1-CG 4.32Å; Y265-Y267 AromaticContact CE2-CD2 3.68Å; Y265-Y267 HydrophobicContact CE2-CD2 3.68Å; Y265-Y267 HydrophobicContact CE2-CE2 4.47Å; Y265-Y267 AromaticContact CZ-CD2 3.65Å; Y265-Y267 PolarHBondContact O-N 3.36Å; Y265-L269 WeakPolarHBondContact CE1-O 2.95Å; Y265-L269 PolarHBondContact OH-O 2.77Å; Y265-Y270 HydrophobicContact CD1-CD1 4.12Å; Y265-Y270 AromaticContact CD1-CE1 3.72Å; Y265-Y270 HydrophobicContact CD1-CE1 3.72Å; Y265-Y270 HydrophobicContact CD2-CE1 4.28Å; Y265-Y270 AromaticContact CE1-CD1 3.52Å; Y265-Y270 HydrophobicContact CE1-CD1 3.52Å; Y265-Y270 AromaticContact CE1-CE1 3.63Å; Y265-Y270 HydrophobicContact CE1-CE1 3.63Å; Y265-Y270 HydrophobicContact CE2-CD1 4.04Å; Y265-Y270 HydrophobicContact CE2-CE1 4.23Å; Y265-Y270 HydrophobicContact CG-CE1 4.04Å; Y265-Y270 AromaticContact CZ-CD1 3.49Å; Y265-Y270 VanDerWaalsContact CZ-CD1 3.49Å; Y265-Y270 AromaticContact CZ-CE1 3.91Å; Y265-L299 HydrophobicContact CD2-CD1 4.01Å; Y265-L308 HydrophobicContact CE2-CD1 4.49Å; Y265-L308 HydrophobicContact CE2-CD2 3.73Å
266P93.5Very high94.7Very high47 Ų4739.7 Ų39.731%0.30522%0.215SC..  trans-82.5-8.3-172.231.3-35.7000114.1G49 L50 Y262G49-P266 WeakPolarHBondContact CA-O 3.42Å; L50-P266 HydrophobicContact CD1-CB 4.07Å; L50-P266 HydrophobicContact CD1-CG 4.42Å; L50-P266 PolarHBondContact N-O 2.84Å; Y262-P266 VanDerWaalsContact O-CA 3.3Å; Y262-P266 WeakPolarHBondContact O-CA 3.39Å
267Y94.2Very high94.7Very high12 Ų1238.6 Ų38.65%0.04721%0.208CC..BIsolated β-bridgetrans-86.4158.5-173.5-47.6-83.6000113.1L50 S51 L52 F55 E56 R252 Y265L50-Y267 HydrophobicContact CB-CD1 3.79Å; L50-Y267 HydrophobicContact CB-CE1 4.28Å; L50-Y267 CarbonylContact O-C 3.6Å; L50-Y267 WeakPolarHBondContact O-CA 3.33Å; S51-Y267 WeakPolarHBondContact O-CD1 3.17Å; L52-Y267 HydrophobicContact CD2-CG 4.34Å; F55-Y267 HydrophobicContact CB-CE1 4.19Å; F55-Y267 HydrophobicContact CD2-CD1 4.42Å; F55-Y267 AromaticContact CD2-CD2 3.87Å; F55-Y267 HydrophobicContact CD2-CD2 3.87Å; F55-Y267 HydrophobicContact CD2-CE1 4.07Å; F55-Y267 AromaticContact CD2-CE2 3.45Å; F55-Y267 HydrophobicContact CD2-CE2 3.45Å; F55-Y267 VanDerWaalsContact CD2-CE2 3.45Å; F55-Y267 HydrophobicContact CD2-CG 4.33Å; F55-Y267 AromaticContact CD2-CZ 3.57Å; F55-Y267 HydrophobicContact CE2-CD2 4.21Å; F55-Y267 AromaticContact CE2-CE2 3.85Å; F55-Y267 HydrophobicContact CE2-CE2 3.85Å; F55-Y267 HydrophobicContact CG-CE2 4.49Å; E56-Y267 PolarHBondContact N-OH 2.87Å; E56-Y267 PolarHBondContact O-OH 2.94Å; R252-Y267 PolarHBondContact NH2-O 3.48Å; Y265-Y267 VanDerWaalsContact C-N 3.34Å; Y265-Y267 HydrophobicContact CD2-CD2 4.16Å; Y265-Y267 HydrophobicContact CE1-CD2 4.11Å; Y265-Y267 HydrophobicContact CE1-CG 4.32Å; Y265-Y267 AromaticContact CE2-CD2 3.68Å; Y265-Y267 HydrophobicContact CE2-CD2 3.68Å; Y265-Y267 HydrophobicContact CE2-CE2 4.47Å; Y265-Y267 AromaticContact CZ-CD2 3.65Å; Y265-Y267 PolarHBondContact O-N 3.36Å
268S94Very high95Very high46 Ų4632.6 Ų32.632%0.32218%0.182SC..SBendtrans-82.7-23.7-178.854.10000113.9L50 P250L50-S268 WeakPolarHBondContact O-CB 3.12Å; L50-S268 PolarHBondContact O-N 3.47Å; L50-S268 PolarHBondContact O-OG 2.94Å; P250-S268 WeakPolarHBondContact CD-O 3.38Å
269L95.2Very high95.1Very high51 Ų5126.4 Ų26.427%0.26716%0.158SC..SBendtrans-132.7151.2179.6-67.6173.6000109.7L52 V247 S248 K249 Y265L52-L269 HydrophobicContact CD1-CB 3.73Å; L52-L269 VanDerWaalsContact CD2-O 3.3Å; L52-L269 WeakPolarHBondContact CD2-O 3.38Å; L52-L269 HydrophobicContact CG-CB 4.2Å; V247-L269 HydrophobicContact CG1-CD1 4.5Å; V247-L269 HydrophobicContact CG1-CD2 3.98Å; S248-L269 CarbonylContact O-C 3.6Å; S248-L269 WeakPolarHBondContact O-CA 3.5Å; K249-L269 HydrophobicContact CG-CD2 3.66Å; Y265-L269 WeakPolarHBondContact CE1-O 2.95Å; Y265-L269 PolarHBondContact OH-O 2.77Å
270Y95.7Very high95.3Very high15 Ų1523.2 Ų23.26%0.05915%0.146CC..BIsolated β-bridgetrans-82.9147.2160.9-61.9-50.8000109.8S248 P250 I260 Y265 F273 V304S248-Y270 PolarHBondContact O-N 3.3Å; P250-Y270 HydrophobicContact CB-CE1 4.03Å; P250-Y270 HydrophobicContact CB-CE2 4.11Å; P250-Y270 HydrophobicContact CG-CD1 4.09Å; P250-Y270 HydrophobicContact CG-CD2 4.45Å; P250-Y270 HydrophobicContact CG-CE1 3.69Å; P250-Y270 HydrophobicContact CG-CE2 4.12Å; P250-Y270 HydrophobicContact CG-CG 4.45Å; I260-Y270 VanDerWaalsContact CG2-OH 3.32Å; I260-Y270 WeakPolarHBondContact CG2-OH 3.1Å; Y265-Y270 HydrophobicContact CD1-CD1 4.12Å; Y265-Y270 AromaticContact CD1-CE1 3.72Å; Y265-Y270 HydrophobicContact CD1-CE1 3.72Å; Y265-Y270 HydrophobicContact CD2-CE1 4.28Å; Y265-Y270 AromaticContact CE1-CD1 3.52Å; Y265-Y270 HydrophobicContact CE1-CD1 3.52Å; Y265-Y270 AromaticContact CE1-CE1 3.63Å; Y265-Y270 HydrophobicContact CE1-CE1 3.63Å; Y265-Y270 HydrophobicContact CE2-CD1 4.04Å; Y265-Y270 HydrophobicContact CE2-CE1 4.23Å; Y265-Y270 HydrophobicContact CG-CE1 4.04Å; Y265-Y270 AromaticContact CZ-CD1 3.49Å; Y265-Y270 VanDerWaalsContact CZ-CD1 3.49Å; Y265-Y270 AromaticContact CZ-CE1 3.91Å; Y270-F273 AromaticContact CD2-CE1 3.96Å; Y270-F273 HydrophobicContact CD2-CE1 3.96Å; Y270-F273 HydrophobicContact CD2-CZ 4.43Å; Y270-F273 HydrophobicContact CG-CE1 4.16Å; Y270-V304 HydrophobicContact CD1-CG1 3.38Å; Y270-V304 HydrophobicContact CD1-CG2 4.47Å; Y270-V304 HydrophobicContact CD2-CG1 4.32Å; Y270-V304 HydrophobicContact CD2-CG2 3.96Å; Y270-V304 HydrophobicContact CE1-CG1 3.52Å; Y270-V304 HydrophobicContact CE1-CG2 4.42Å; Y270-V304 HydrophobicContact CE2-CG1 4.4Å; Y270-V304 HydrophobicContact CE2-CG2 3.86Å; Y270-V304 HydrophobicContact CG-CG1 3.82Å; Y270-V304 HydrophobicContact CG-CG2 4.25Å
271P96Very high95.4Very high6 Ų623 Ų234%0.03915%0.145CC..PPolyproline II helixtrans-57.4167.1164.7-21.834.5000111.4L52 F273 L308 Y311L52-P271 HydrophobicContact CD1-CG 4.47Å; L52-P271 HydrophobicContact CD2-CG 4.07Å; P271-F273 WeakPolarHBondContact O-CD1 3.3Å; P271-F273 PolarHBondContact O-N 2.93Å; P271-L308 HydrophobicContact CG-CD2 3.94Å; P271-Y311 HydrophobicContact CB-CD2 3.79Å; P271-Y311 HydrophobicContact CB-CG 3.84Å; P271-Y311 HydrophobicContact CG-CD1 4.32Å; P271-Y311 HydrophobicContact CG-CD2 4.14Å; P271-Y311 HydrophobicContact CG-CG 3.83Å
272A97.6Very high95.5Very high37 Ų3722.3 Ų22.331%0.30614%0.14SC..PPolyproline II helixtrans-64.4133.117700000111.3V244 M245 P317V244-A272 HydrophobicContact CG1-CB 4.33Å; M245-A272 WeakPolarHBondContact O-CA 3.15Å; A272-P317 HydrophobicContact CB-CG 4.31Å
273F98.2Very high95.6Very high11 Ų1121.7 Ų21.75%0.04814%0.138CC..EExtended strand (participates in β ladder)trans-140.5149.1176.156.8-93.4000111.3V244 M245 Y270 P271 S275 D303 V304V244-F273 CarbonylContact C-O 3.46Å; V244-F273 WeakPolarHBondContact CA-O 3.32Å; M245-F273 HydrophobicContact CB-CD2 4.23Å; M245-F273 HydrophobicContact CB-CE1 4.38Å; M245-F273 HydrophobicContact CB-CE2 3.92Å; M245-F273 HydrophobicContact CB-CZ 3.99Å; M245-F273 HydrophobicContact CG-CD2 4.42Å; M245-F273 HydrophobicContact CG-CE2 3.92Å; M245-F273 HydrophobicContact CG-CZ 4.29Å; M245-F273 PolarHBondContact N-O 3.32Å; M245-F273 PolarHBondContact O-N 2.82Å; Y270-F273 AromaticContact CD2-CE1 3.96Å; Y270-F273 HydrophobicContact CD2-CE1 3.96Å; Y270-F273 HydrophobicContact CD2-CZ 4.43Å; Y270-F273 HydrophobicContact CG-CE1 4.16Å; P271-F273 WeakPolarHBondContact O-CD1 3.3Å; P271-F273 PolarHBondContact O-N 2.93Å; F273-S275 PolarHBondContact O-N 3.41Å; F273-D303 WeakPolarHBondContact CB-O 3.29Å; F273-D303 HydrophobicContact CD2-CB 3.81Å; F273-D303 HydrophobicContact CE2-CB 4.15Å; F273-D303 WeakPolarHBondContact CE2-OD2 3.36Å; F273-V304 HydrophobicContact CD1-CG2 4.47Å; F273-V304 HydrophobicContact CE1-CG2 3.94Å; F273-V304 HydrophobicContact CE2-CG2 4.41Å; F273-V304 HydrophobicContact CZ-CG2 3.9Å
274P98.2Very high95.7Very high0 Ų017.7 Ų17.70%011%0.11CC..EExtended strand (participates in β ladder)trans-68124.5162.731.8-32.2000108.3I240 I279 D303 I306I240-P274 HydrophobicContact CD1-CG 3.89Å; I240-P274 HydrophobicContact CG1-CG 3.97Å; P274-I279 HydrophobicContact CB-CG1 4.15Å; P274-I279 HydrophobicContact CB-CG2 4.35Å; P274-I279 HydrophobicContact CG-CD1 4.1Å; P274-I279 HydrophobicContact CG-CG1 4.11Å; P274-I279 HydrophobicContact CG-CG2 3.83Å; P274-D303 WeakPolarHBondContact O-CB 3.44Å; P274-I306 HydrophobicContact CG-CG2 4.46Å
275S96.1Very high95.9Very high19 Ų1914.3 Ų14.313%0.1339%0.092CC..EExtended strand (participates in β ladder)trans-50.6148.8173.7-1790000110.5N243 F273N243-S275 WeakPolarHBondContact O-CB 3.49Å; N243-S275 PolarHBondContact O-N 2.79Å; F273-S275 PolarHBondContact O-N 3.41Å
276G89.3Confident96.1Very high17 Ų1714.2 Ų14.218%0.1759%0.092CC..EExtended strand (participates in β ladder)trans-51.8170.5164.800000112.2D303G276-D303 PolarHBondContact N-OD2 2.85Å; G276-D303 VanDerWaalsContact N-OD2 3.08Å
277G94.8Very high96.2Very high1 Ų113.8 Ų13.81%0.019%0.085CC..EExtended strand (participates in β ladder)trans101.2-60.7-17500000114.1I213 D214I213-G277 CarbonylContact C-O 3.51Å; I213-G277 WeakPolarHBondContact CA-O 3.39Å; I213-G277 WeakPolarHBondContact CG1-O 3.45Å; D214-G277 PolarHBondContact N-O 2.88Å; D214-G277 WeakPolarHBondContact OD2-CA 3.37Å; D214-G277 PolarHBondContact OD2-N 3.33Å
278T98.2Very high96.2Very high1 Ų113.4 Ų13.41%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-147.4115.8174.6-53.60000111.1T211 L212 I213 S338T211-T278 HydrophobicContact CG2-CG2 4.19Å; L212-T278 CarbonylContact O-C 3.58Å; L212-T278 WeakPolarHBondContact O-CA 3.32Å; I213-T278 HydrophobicContact CD1-CG2 4.41Å; T278-S338 WeakPolarHBondContact CB-OG 3.45Å; T278-S338 WeakPolarHBondContact CG2-OG 3.22Å; T278-S338 WeakPolarHBondContact OG1-CB 3.38Å; T278-S338 PolarHBondContact OG1-OG 3.46Å
279I98.7Very high96.4Very high2 Ų211.2 Ų11.21%0.017%0.069CC..EExtended strand (participates in β ladder)trans-126.7124.6178.1-55.3176.3000108.4T211 L212 I240 P274 L281 I306T211-I279 CarbonylContact C-O 3.54Å; T211-I279 WeakPolarHBondContact CA-O 3.49Å; L212-I279 HydrophobicContact CB-CB 4.42Å; L212-I279 PolarHBondContact N-O 2.86Å; L212-I279 PolarHBondContact O-N 3.4Å; I240-I279 HydrophobicContact CD1-CG2 3.98Å; I240-I279 HydrophobicContact CG1-CG2 4.02Å; P274-I279 HydrophobicContact CB-CG1 4.15Å; P274-I279 HydrophobicContact CB-CG2 4.35Å; P274-I279 HydrophobicContact CG-CD1 4.1Å; P274-I279 HydrophobicContact CG-CG1 4.11Å; P274-I279 HydrophobicContact CG-CG2 3.83Å; I279-L281 HydrophobicContact CG2-CD2 3.65Å; I279-L281 HydrophobicContact CG2-CG 4.1Å; I279-I306 HydrophobicContact CD1-CD1 3.69Å
280I98.5Very high96.4Very high0 Ų09.4 Ų9.40%06%0.06CC..EExtended strand (participates in β ladder)trans-104.2129.3178-59.9163.6000107.8T211 L224 L228 Y239 I240 A241 L320T211-I280 HydrophobicContact CG2-CG1 4.26Å; L224-I280 HydrophobicContact CD1-CD1 3.42Å; L224-I280 VanDerWaalsContact CD1-CD1 3.42Å; L224-I280 HydrophobicContact CD1-CG1 4.07Å; L228-I280 HydrophobicContact CD2-CG2 3.58Å; Y239-I280 HydrophobicContact CE1-CG2 3.92Å; I240-I280 CarbonylContact C-O 3.46Å; I240-I280 VanDerWaalsContact CA-O 3.26Å; I240-I280 WeakPolarHBondContact CA-O 3.4Å; A241-I280 PolarHBondContact N-O 3.36Å; A241-I280 PolarHBondContact O-N 2.85Å; I280-L320 HydrophobicContact CD1-CD1 3.73Å
281L97.9Very high96.2Very high0 Ų08.7 Ų8.70%06%0.058CC..EExtended strand (participates in β ladder)trans-126.7142.5-175.4-53.7175.2000109.9L197 F209 L210 L212 I240 I279 V285 L289L197-L281 HydrophobicContact CD2-CD1 4.13Å; F209-L281 CarbonylContact C-O 3.56Å; F209-L281 VanDerWaalsContact CA-O 3.3Å; F209-L281 WeakPolarHBondContact CA-O 2.96Å; L210-L281 HydrophobicContact CB-CB 4.36Å; L210-L281 PolarHBondContact N-O 3.41Å; L210-L281 PolarHBondContact O-N 3.24Å; L212-L281 HydrophobicContact CD1-CD1 3.91Å; L212-L281 HydrophobicContact CG-CD1 4.17Å; I240-L281 HydrophobicContact CB-CD2 3.76Å; I240-L281 HydrophobicContact CD1-CD2 3.18Å; I240-L281 HydrophobicContact CG1-CD2 3.37Å; I279-L281 HydrophobicContact CG2-CD2 3.65Å; I279-L281 HydrophobicContact CG2-CG 4.1Å; L281-V285 HydrophobicContact CD2-CG1 4.32Å; L281-L289 HydrophobicContact CD1-CD1 4.07Å; L281-L289 HydrophobicContact CD2-CD1 4.09Å
282S97.3Very high96.1Very high0 Ų08.5 Ų8.50%06%0.056CC..EExtended strand (participates in β ladder)trans-77.6156158.458.20000110.6Y236 Y239 V285 A286Y236-S282 WeakPolarHBondContact O-CB 3.48Å; Y236-S282 PolarHBondContact O-OG 2.79Å; Y239-S282 PolarHBondContact N-OG 2.99Å; Y239-S282 PolarHBondContact O-N 3.25Å; Y239-S282 PolarHBondContact O-OG 2.83Å; S282-V285 PolarHBondContact O-N 2.88Å; S282-V285 WeakPolarHBondContact OG-CG2 3.2Å; S282-A286 PolarHBondContact O-N 3.37Å
283M94.9Very high96Very high17 Ų176.9 Ų6.98%0.0844%0.043CC..Hα-helixtrans-58.3-42.7176.9-177.857.470.800113.8P207 R208 L210 V285 A286 Q287P207-M283 HydrophobicContact CG-CE 3.54Å; P207-M283 WeakPolarHBondContact O-CB 3.34Å; R208-M283 PolarHBondContact O-N 3.43Å; R208-M283 VanDerWaalsContact O-N 3.14Å; L210-M283 HydrophobicContact CD1-CE 4.25Å; L210-M283 HydrophobicContact CD2-CE 3.98Å; L210-M283 HydrophobicContact CG-CE 4.29Å; M283-V285 VanDerWaalsContact C-N 3.31Å; M283-V285 PolarHBondContact O-N 3.31Å; M283-A286 WeakPolarHBondContact O-CB 3.39Å; M283-A286 PolarHBondContact O-N 3.5Å; M283-A286 VanDerWaalsContact O-N 3.15Å; M283-A286 HydrophobicContact SD-CB 4.4Å; M283-Q287 WeakPolarHBondContact O-CG 3.25Å; M283-Q287 PolarHBondContact O-N 2.83Å; M283-Q287 HydrophobicContact SD-CG 4.29Å
284P95Very high95.8Very high17 Ų179 Ų911%0.115%0.05CC..Hα-helixtrans-58-40.9174.9-26.836.6000113.2Y236 Q287 L288Y236-P284 HydrophobicContact CD1-CG 4.46Å; Y236-P284 HydrophobicContact CE1-CG 3.85Å; P284-Q287 PolarHBondContact O-N 2.92Å; P284-L288 WeakPolarHBondContact O-CB 3.4Å; P284-L288 WeakPolarHBondContact O-CG 3.21Å; P284-L288 PolarHBondContact O-N 3.41Å
285V97.4Very high95.5Very high0 Ų09.2 Ų9.20%05%0.051CC..Hα-helixtrans-68.5-37.7176.2176.40000111.6Y239 I240 L281 S282 M283 Q287 L288 L289 L310 I315Y239-V285 WeakPolarHBondContact O-CG2 3.48Å; I240-V285 HydrophobicContact CB-CG1 4.03Å; I240-V285 HydrophobicContact CG2-CG1 4.21Å; L281-V285 HydrophobicContact CD2-CG1 4.32Å; S282-V285 PolarHBondContact O-N 2.88Å; S282-V285 WeakPolarHBondContact OG-CG2 3.2Å; M283-V285 VanDerWaalsContact C-N 3.31Å; M283-V285 PolarHBondContact O-N 3.31Å; V285-Q287 VanDerWaalsContact C-N 3.31Å; V285-Q287 PolarHBondContact O-N 3.4Å; V285-L288 PolarHBondContact O-N 2.84Å; V285-L289 HydrophobicContact CG1-CD1 4.04Å; V285-L289 HydrophobicContact CG1-CG 4.15Å; V285-L289 WeakPolarHBondContact O-CB 3.36Å; V285-L289 VanDerWaalsContact O-CG 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.37Å; V285-L310 HydrophobicContact CG1-CD2 4.39Å; V285-I315 HydrophobicContact CG2-CD1 4.47Å
286A96.8Very high95.2Very high0 Ų08.5 Ų8.50%05%0.046CC..Hα-helixtrans-59.4-42.1174.500000112.2L197 L210 S282 M283 L289 S290L197-A286 HydrophobicContact CD2-CB 3.96Å; L210-A286 HydrophobicContact CD1-CB 3.54Å; S282-A286 PolarHBondContact O-N 3.37Å; M283-A286 WeakPolarHBondContact O-CB 3.39Å; M283-A286 PolarHBondContact O-N 3.5Å; M283-A286 VanDerWaalsContact O-N 3.15Å; M283-A286 HydrophobicContact SD-CB 4.4Å; A286-L289 PolarHBondContact O-N 2.99Å; A286-S290 PolarHBondContact O-N 3.39Å
287Q95.4Very high95.2Very high38 Ų3810.7 Ų10.718%0.1785%0.05CC..Hα-helixtrans-65.3-46.2174.7-66.2169.9-22.600112Y67 F71 I201 M283 P284 V285 L289 S290 V291Y67-Q287 HydrophobicContact CD2-CB 4.03Å; Y67-Q287 HydrophobicContact CE2-CB 3.51Å; Y67-Q287 HydrophobicContact CE2-CG 4.43Å; Y67-Q287 PolarHBondContact OH-OE1 3.03Å; Y67-Q287 VanDerWaalsContact OH-OE1 3.08Å; F71-Q287 HydrophobicContact CD1-CB 4.37Å; F71-Q287 HydrophobicContact CD1-CG 4Å; F71-Q287 HydrophobicContact CD2-CB 4.33Å; F71-Q287 HydrophobicContact CE1-CB 4.29Å; F71-Q287 HydrophobicContact CE1-CG 3.9Å; F71-Q287 HydrophobicContact CE2-CB 4.25Å; F71-Q287 HydrophobicContact CG-CB 4.38Å; F71-Q287 HydrophobicContact CG-CG 4.45Å; F71-Q287 HydrophobicContact CZ-CB 4.22Å; F71-Q287 HydrophobicContact CZ-CG 4.27Å; I201-Q287 HydrophobicContact CD1-CG 4.28Å; I201-Q287 HydrophobicContact CG1-CG 4.08Å; M283-Q287 WeakPolarHBondContact O-CG 3.25Å; M283-Q287 PolarHBondContact O-N 2.83Å; M283-Q287 HydrophobicContact SD-CG 4.29Å; P284-Q287 PolarHBondContact O-N 2.92Å; V285-Q287 VanDerWaalsContact C-N 3.31Å; V285-Q287 PolarHBondContact O-N 3.4Å; Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 2.84Å; Q287-S290 PolarHBondContact O-N 2.86Å; Q287-V291 WeakPolarHBondContact O-CG2 3.31Å; Q287-V291 PolarHBondContact O-N 3.23Å
288L95.8Very high95.1Very high4 Ų412.2 Ų12.22%0.0216%0.058CC..Hα-helixtrans-58.7-39.6175.3-75.7166.4000112.1Y64 Y67 P284 V285 V291 G292 L313 I315Y64-L288 HydrophobicContact CD1-CD2 3.8Å; Y64-L288 HydrophobicContact CE1-CD1 3.93Å; Y64-L288 HydrophobicContact CE1-CD2 3.85Å; Y67-L288 HydrophobicContact CD1-CD2 3.75Å; Y67-L288 HydrophobicContact CD1-CG 4.41Å; Y67-L288 HydrophobicContact CD2-CD2 3.89Å; Y67-L288 HydrophobicContact CD2-CG 4.06Å; Y67-L288 HydrophobicContact CE1-CD2 4.39Å; Y67-L288 HydrophobicContact CE2-CG 4.34Å; Y67-L288 HydrophobicContact CG-CD2 3.45Å; Y67-L288 VanDerWaalsContact CG-CD2 3.45Å; Y67-L288 HydrophobicContact CG-CG 4.11Å; P284-L288 WeakPolarHBondContact O-CB 3.4Å; P284-L288 WeakPolarHBondContact O-CG 3.21Å; P284-L288 PolarHBondContact O-N 3.41Å; V285-L288 PolarHBondContact O-N 2.84Å; L288-V291 PolarHBondContact O-N 2.75Å; L288-G292 PolarHBondContact O-N 2.91Å; L288-L313 HydrophobicContact CB-CD1 3.82Å; L288-L313 HydrophobicContact CD2-CD1 4.43Å; L288-L313 HydrophobicContact CD2-CD2 3.97Å; L288-L313 HydrophobicContact CG-CD1 4.5Å; L288-I315 HydrophobicContact CD1-CD1 3.99Å
289L96.9Very high94.9Very high0 Ų012.5 Ų12.50%06%0.06CC..Hα-helixtrans-65.3-47.6175.3-72.2173.5000111.7L197 I240 L281 V285 A286 Q287 V291 G292 L293 I306 V309 L310L197-L289 HydrophobicContact CD1-CB 3.73Å; I240-L289 HydrophobicContact CD1-CD1 4.46Å; L281-L289 HydrophobicContact CD1-CD1 4.07Å; L281-L289 HydrophobicContact CD2-CD1 4.09Å; V285-L289 HydrophobicContact CG1-CD1 4.04Å; V285-L289 HydrophobicContact CG1-CG 4.15Å; V285-L289 WeakPolarHBondContact O-CB 3.36Å; V285-L289 VanDerWaalsContact O-CG 3.26Å; V285-L289 WeakPolarHBondContact O-CG 3.48Å; V285-L289 PolarHBondContact O-N 3.37Å; A286-L289 PolarHBondContact O-N 2.99Å; Q287-L289 VanDerWaalsContact C-N 3.28Å; Q287-L289 PolarHBondContact O-N 2.84Å; L289-V291 PolarHBondContact O-N 2.89Å; L289-G292 PolarHBondContact O-N 3.47Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 WeakPolarHBondContact O-CD1 3.37Å; L289-L293 WeakPolarHBondContact O-CG 3.4Å; L289-L293 PolarHBondContact O-N 2.93Å; L289-I306 HydrophobicContact CD1-CG1 4.45Å; L289-I306 HydrophobicContact CD1-CG2 4.5Å; L289-I306 HydrophobicContact CD2-CG1 4.42Å; L289-I306 HydrophobicContact CD2-CG2 4.18Å; L289-V309 HydrophobicContact CD2-CB 3.95Å; L289-V309 HydrophobicContact CD2-CG1 3.83Å; L289-L310 HydrophobicContact CD2-CD2 4.26Å
290S94.9Very high94.7Very high12 Ų1214.3 Ų14.38%0.0847%0.072CC..Hα-helixtrans-56.5-39.8175.9171.30000111.5D198 A286 Q287D198-S290 PolarHBondContact OD1-OG 3.36Å; A286-S290 PolarHBondContact O-N 3.39Å; Q287-S290 PolarHBondContact O-N 2.86Å
291V93Very high94.6Very high1 Ų115 Ų151%0.0068%0.075CC..Hα-helixtrans-64-56.5172.6174.40000111.2I66 F71 Q287 L288 L289 L293 R294 Y295I66-V291 HydrophobicContact CB-CG1 3.88Å; I66-V291 HydrophobicContact CG2-CG1 3.53Å; F71-V291 HydrophobicContact CD2-CG2 4.2Å; F71-V291 HydrophobicContact CE2-CG2 3.67Å; Q287-V291 WeakPolarHBondContact O-CG2 3.31Å; Q287-V291 PolarHBondContact O-N 3.23Å; L288-V291 PolarHBondContact O-N 2.75Å; L289-V291 PolarHBondContact O-N 2.89Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.27Å; V291-R294 PolarHBondContact O-N 3.5Å; V291-Y295 WeakPolarHBondContact O-CD2 3.25Å
292G94.4Very high94.6Very high1 Ų115.4 Ų15.41%0.018%0.077CC..Hα-helixtrans-62.1-35.1-172.500000114.2L288 L289 R294 Y295 I296L288-G292 PolarHBondContact O-N 2.91Å; L289-G292 PolarHBondContact O-N 3.47Å; G292-R294 PolarHBondContact O-N 3.39Å; G292-R294 VanDerWaalsContact O-N 3.17Å; G292-Y295 PolarHBondContact O-N 3Å; G292-I296 PolarHBondContact O-N 2.95Å
293L95Very high94.6Very high4 Ų416.8 Ų16.82%0.0218%0.084CC..Hα-helixtrans-59.8-26.4178.3-74.5165.9000113.2N84 L193 I194 L197 L289 V291 Y295 L298 V305 V309N84-L293 PolarHBondContact ND2-O 3.11Å; L193-L293 HydrophobicContact CD2-CD1 4.17Å; L193-L293 HydrophobicContact CD2-CD2 4.39Å; L193-L293 HydrophobicContact CG-CD1 4.31Å; I194-L293 HydrophobicContact CG1-CB 4.23Å; I194-L293 HydrophobicContact CG1-CD1 3.89Å; I194-L293 HydrophobicContact CG1-CD2 4.46Å; I194-L293 HydrophobicContact CG1-CG 4.42Å; L197-L293 HydrophobicContact CD1-CD1 3.51Å; L289-L293 WeakPolarHBondContact O-CB 3.38Å; L289-L293 WeakPolarHBondContact O-CD1 3.37Å; L289-L293 WeakPolarHBondContact O-CG 3.4Å; L289-L293 PolarHBondContact O-N 2.93Å; V291-L293 VanDerWaalsContact C-N 3.32Å; V291-L293 PolarHBondContact O-N 3.27Å; L293-Y295 VanDerWaalsContact C-N 3.28Å; L293-Y295 PolarHBondContact O-N 2.89Å; L293-L298 HydrophobicContact CD2-CD2 4.25Å; L293-V305 HydrophobicContact CD2-CB 4.45Å; L293-V305 HydrophobicContact CD2-CG1 3.26Å; L293-V309 HydrophobicContact CD2-CG2 4.38Å; L293-V309 HydrophobicContact CG-CG2 4.46Å
294R93.4Very high94.7Very high56 Ų5616.2 Ų16.221%0.2118%0.081CC..THydrogen-bonded Turntrans-76.2-15.4177.1-56.9178.3-67.9168.11.1113.1E70 P82 I83 N84 V291 G292E70-R294 IonicContact OE1-CZ 3.06Å; E70-R294 VanDerWaalsContact OE1-CZ 3.3Å; E70-R294 IonicContact OE1-NH1 3.8Å; E70-R294 PolarHBondContact OE1-NH1 3.34Å; E70-R294 IonicContact OE1-NH2 3.93Å; E70-R294 PolarHBondContact OE1-NH2 3.31Å; E70-R294 IonicContact OE2-CZ 2.79Å; E70-R294 IonicContact OE2-NH1 3.48Å; E70-R294 PolarHBondContact OE2-NH1 3.28Å; E70-R294 IonicContact OE2-NH2 2.97Å; E70-R294 PolarHBondContact OE2-NH2 2.71Å; P82-R294 CarbonylContact C-O 3.52Å; P82-R294 HydrophobicContact CB-CB 3.69Å; P82-R294 WeakPolarHBondContact CB-O 3.26Å; P82-R294 HydrophobicContact CG-CB 4.48Å; I83-R294 PolarHBondContact N-O 3.26Å; N84-R294 PolarHBondContact N-O 3.36Å; V291-R294 PolarHBondContact O-N 3.5Å; G292-R294 PolarHBondContact O-N 3.39Å; G292-R294 VanDerWaalsContact O-N 3.17Å
295Y91.8Very high94.8Very high3 Ų315.4 Ų15.41%0.0128%0.076CC..THydrogen-bonded Turntrans-118.913.2-172.5-66.6-83.6000114.1L59 V61 L63 I66 I80 P82 V291 G292 L293L59-Y295 HydrophobicContact CD1-CD1 3.89Å; V61-Y295 HydrophobicContact CG1-CD1 4.34Å; V61-Y295 HydrophobicContact CG2-CD1 4.12Å; V61-Y295 HydrophobicContact CG2-CG 4.11Å; L63-Y295 HydrophobicContact CD2-CD2 4.1Å; L63-Y295 HydrophobicContact CD2-CG 4.26Å; I66-Y295 HydrophobicContact CD1-CD2 4.17Å; I66-Y295 HydrophobicContact CD1-CE1 4.13Å; I66-Y295 HydrophobicContact CD1-CE2 3.71Å; I66-Y295 HydrophobicContact CG2-CE2 4.18Å; I80-Y295 HydrophobicContact CG2-CE1 4.23Å; I80-Y295 WeakPolarHBondContact O-CE1 3.26Å; I80-Y295 PolarHBondContact O-OH 3.46Å; P82-Y295 HydrophobicContact CB-CD1 4.5Å; P82-Y295 HydrophobicContact CB-CE1 4.09Å; P82-Y295 HydrophobicContact CB-CE2 4.32Å; P82-Y295 HydrophobicContact CG-CE1 4.34Å; P82-Y295 HydrophobicContact CG-CE2 4.45Å; V291-Y295 WeakPolarHBondContact O-CD2 3.25Å; G292-Y295 PolarHBondContact O-N 3Å; L293-Y295 VanDerWaalsContact C-N 3.28Å; L293-Y295 PolarHBondContact O-N 2.89Å
296I89.5Confident94.8Very high4 Ų415.4 Ų15.42%0.0218%0.076CC..SBendtrans-128.2148.1-177.7-156.4151.7000111.3N84 G292 L298 V305 L308 V309N84-I296 PolarHBondContact ND2-O 2.88Å; G292-I296 PolarHBondContact O-N 2.95Å; I296-L298 HydrophobicContact CG2-CD2 4.48Å; I296-L298 PolarHBondContact O-N 3.48Å; I296-L298 VanDerWaalsContact O-N 3.14Å; I296-V305 HydrophobicContact CG2-CG1 4.1Å; I296-L308 HydrophobicContact CD1-CB 3.32Å; I296-L308 HydrophobicContact CG1-CB 4.25Å; I296-V309 HydrophobicContact CD1-CG2 4.05Å; I296-V309 HydrophobicContact CG2-CG2 3.96Å
297K90Very high94.8Very high63 Ų6315.4 Ų15.427%0.2748%0.076SC..  trans-64120.4175.3-177.6169.2173.1170.60109.3L58 S263 D264L58-K297 HydrophobicContact CD1-CB 3.89Å; L58-K297 HydrophobicContact CD1-CD 4.5Å; S263-K297 PolarHBondContact O-NZ 3.06Å; D264-K297 IonicContact OD1-NZ 3.63Å; D264-K297 PolarHBondContact OD1-NZ 2.78Å
298L93Very high94.8Very high33 Ų3313.6 Ų13.617%0.1737%0.068CC..  trans-70.2133.8176.4-58.2-179000110N84 T190 Y191 I194 L293 I296 V305N84-L298 HydrophobicContact CB-CD1 4Å; N84-L298 HydrophobicContact CB-CG 4.29Å; T190-L298 HydrophobicContact CG2-CB 4.28Å; T190-L298 HydrophobicContact CG2-CD2 3.97Å; T190-L298 HydrophobicContact CG2-CG 4.49Å; Y191-L298 HydrophobicContact CD1-CD1 4.39Å; Y191-L298 HydrophobicContact CE1-CD1 3.94Å; I194-L298 HydrophobicContact CD1-CD1 3.62Å; I194-L298 HydrophobicContact CD1-CD2 3.97Å; I194-L298 HydrophobicContact CD1-CG 4.47Å; L293-L298 HydrophobicContact CD2-CD2 4.25Å; I296-L298 HydrophobicContact CG2-CD2 4.48Å; I296-L298 PolarHBondContact O-N 3.48Å; I296-L298 VanDerWaalsContact O-N 3.14Å; L298-V305 HydrophobicContact CD2-CG1 4.21Å
299L94.5Very high94.8Very high8 Ų813.4 Ų13.44%0.0427%0.067CC..  trans-112.5158.6172-56.4-177.2000108.6T190 I260 Y265 F301 V304 V305 L308T190-L299 WeakPolarHBondContact CB-O 3.36Å; T190-L299 PolarHBondContact OG1-O 2.88Å; I260-L299 HydrophobicContact CD1-CB 4.5Å; I260-L299 HydrophobicContact CD1-CD1 3.8Å; I260-L299 HydrophobicContact CD1-CD2 3.69Å; I260-L299 HydrophobicContact CD1-CG 4.2Å; Y265-L299 HydrophobicContact CD2-CD1 4.01Å; L299-F301 PolarHBondContact O-N 3.49Å; L299-V304 HydrophobicContact CD1-CG1 3.99Å; L299-V305 HydrophobicContact CB-CG2 3.72Å; L299-V305 HydrophobicContact CG-CG2 4.28Å; L299-L308 HydrophobicContact CD1-CD1 3.85Å; L299-L308 HydrophobicContact CG-CD1 4.43Å
300P94.2Very high94.7Very high40 Ų4013.5 Ų13.526%0.267%0.067SC..SBendtrans-74.514.6178.532.5-36.9000113.9H187 V189H187-P300 HydrophobicContact CB-CB 4.21Å; V189-P300 WeakPolarHBondContact CG2-O 3.42Å
301F96.5Very high94.7Very high14 Ų1417.6 Ų17.66%0.0618%0.081CC..  trans-123.499.5-179.9-41.5-54.3000108.9W258 I260 L299 D303 V304 V305W258-F301 HydrophobicContact CB-CE1 4.44Å; W258-F301 HydrophobicContact CB-CZ 4.5Å; W258-F301 VanDerWaalsContact O-CZ 3.3Å; W258-F301 WeakPolarHBondContact O-CZ 3.33Å; I260-F301 HydrophobicContact CB-CE2 4.01Å; I260-F301 HydrophobicContact CB-CZ 4.49Å; I260-F301 HydrophobicContact CD1-CE2 4.12Å; I260-F301 HydrophobicContact CG2-CE2 4.37Å; L299-F301 PolarHBondContact O-N 3.49Å; F301-D303 VanDerWaalsContact C-N 3.27Å; F301-D303 PolarHBondContact O-N 2.82Å; F301-V304 HydrophobicContact CB-CB 3.92Å; F301-V304 HydrophobicContact CB-CG2 3.72Å; F301-V304 HydrophobicContact CD2-CG2 4.25Å; F301-V304 HydrophobicContact CG-CG2 4.38Å; F301-V304 PolarHBondContact O-N 3.27Å; F301-V305 WeakPolarHBondContact O-CG2 3.26Å; F301-V305 PolarHBondContact O-N 2.95Å
302E96.9Very high94.6Very high9 Ų920.2 Ų20.24%0.0429%0.093CC..Hα-helixtrans-59.4-36.9-173.153.7161.6-143.500113.2K115 V189 T190 L193 V305 I306K115-E302 WeakPolarHBondContact CE-OE1 3.47Å; K115-E302 IonicContact NZ-OE1 3.12Å; K115-E302 PolarHBondContact NZ-OE1 2.82Å; V189-E302 HydrophobicContact CB-CG 4.23Å; V189-E302 HydrophobicContact CG2-CB 4.34Å; V189-E302 HydrophobicContact CG2-CG 4.11Å; T190-E302 PolarHBondContact OG1-N 3.19Å; L193-E302 HydrophobicContact CB-CB 4.09Å; L193-E302 HydrophobicContact CD2-CB 4Å; E302-V305 PolarHBondContact O-N 3.16Å; E302-I306 VanDerWaalsContact O-CG1 3.29Å; E302-I306 WeakPolarHBondContact O-CG1 3.07Å; E302-I306 PolarHBondContact O-N 3.01Å
303D97.8Very high94.6Very high29 Ų2920.6 Ų20.616%0.15510%0.095CC..Hα-helixtrans-67.1-43.9178.956.2-10.7000111.9F273 P274 G276 F301 I306 G307F273-D303 WeakPolarHBondContact CB-O 3.29Å; F273-D303 HydrophobicContact CD2-CB 3.81Å; F273-D303 HydrophobicContact CE2-CB 4.15Å; F273-D303 WeakPolarHBondContact CE2-OD2 3.36Å; P274-D303 WeakPolarHBondContact O-CB 3.44Å; G276-D303 PolarHBondContact N-OD2 2.85Å; G276-D303 VanDerWaalsContact N-OD2 3.08Å; F301-D303 VanDerWaalsContact C-N 3.27Å; F301-D303 PolarHBondContact O-N 2.82Å; D303-I306 WeakPolarHBondContact O-CB 3.41Å; D303-I306 PolarHBondContact O-N 3.47Å; D303-G307 PolarHBondContact O-N 3.42Å
304V96.9Very high94.6Very high5 Ų523.6 Ų23.63%0.0313%0.126CC..Hα-helixtrans-61.7-45.9172.2178.40000110.3Y270 F273 L299 F301 I306 G307 L308Y270-V304 HydrophobicContact CD1-CG1 3.38Å; Y270-V304 HydrophobicContact CD1-CG2 4.47Å; Y270-V304 HydrophobicContact CD2-CG1 4.32Å; Y270-V304 HydrophobicContact CD2-CG2 3.96Å; Y270-V304 HydrophobicContact CE1-CG1 3.52Å; Y270-V304 HydrophobicContact CE1-CG2 4.42Å; Y270-V304 HydrophobicContact CE2-CG1 4.4Å; Y270-V304 HydrophobicContact CE2-CG2 3.86Å; Y270-V304 HydrophobicContact CG-CG1 3.82Å; Y270-V304 HydrophobicContact CG-CG2 4.25Å; F273-V304 HydrophobicContact CD1-CG2 4.47Å; F273-V304 HydrophobicContact CE1-CG2 3.94Å; F273-V304 HydrophobicContact CE2-CG2 4.41Å; F273-V304 HydrophobicContact CZ-CG2 3.9Å; L299-V304 HydrophobicContact CD1-CG1 3.99Å; F301-V304 HydrophobicContact CB-CB 3.92Å; F301-V304 HydrophobicContact CB-CG2 3.72Å; F301-V304 HydrophobicContact CD2-CG2 4.25Å; F301-V304 HydrophobicContact CG-CG2 4.38Å; F301-V304 PolarHBondContact O-N 3.27Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 3.49Å; V304-G307 WeakPolarHBondContact O-CA 3.47Å; V304-G307 PolarHBondContact O-N 3.44Å; V304-L308 HydrophobicContact CG1-CD1 4.35Å; V304-L308 HydrophobicContact CG1-CG 4.38Å; V304-L308 WeakPolarHBondContact O-CG 3.36Å; V304-L308 PolarHBondContact O-N 2.87Å
305V96Very high94.7Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-62.1-40.1179.6179.10000111.2T190 L293 I296 L298 L299 F301 E302 G307 L308 V309T190-V305 HydrophobicContact CG2-CB 4.4Å; T190-V305 HydrophobicContact CG2-CG1 4.35Å; T190-V305 HydrophobicContact CG2-CG2 4.12Å; L293-V305 HydrophobicContact CD2-CB 4.45Å; L293-V305 HydrophobicContact CD2-CG1 3.26Å; I296-V305 HydrophobicContact CG2-CG1 4.1Å; L298-V305 HydrophobicContact CD2-CG1 4.21Å; L299-V305 HydrophobicContact CB-CG2 3.72Å; L299-V305 HydrophobicContact CG-CG2 4.28Å; F301-V305 WeakPolarHBondContact O-CG2 3.26Å; F301-V305 PolarHBondContact O-N 2.95Å; E302-V305 PolarHBondContact O-N 3.16Å; V305-G307 VanDerWaalsContact C-N 3.35Å; V305-G307 PolarHBondContact O-N 2.94Å; V305-L308 PolarHBondContact O-N 3.3Å; V305-V309 PolarHBondContact O-N 3.5Å; V305-V309 VanDerWaalsContact O-N 3.13Å
306I97.9Very high95Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-54.5-52.7169.6-73.4166000109.7L193 I240 P274 I279 L289 E302 D303 V304 L308 V309 L310L193-I306 HydrophobicContact CD1-CD1 4.08Å; L193-I306 HydrophobicContact CD2-CD1 3.8Å; L193-I306 HydrophobicContact CD2-CG1 3.6Å; I240-I306 HydrophobicContact CD1-CG2 3.57Å; P274-I306 HydrophobicContact CG-CG2 4.46Å; I279-I306 HydrophobicContact CD1-CD1 3.69Å; L289-I306 HydrophobicContact CD1-CG1 4.45Å; L289-I306 HydrophobicContact CD1-CG2 4.5Å; L289-I306 HydrophobicContact CD2-CG1 4.42Å; L289-I306 HydrophobicContact CD2-CG2 4.18Å; E302-I306 VanDerWaalsContact O-CG1 3.29Å; E302-I306 WeakPolarHBondContact O-CG1 3.07Å; E302-I306 PolarHBondContact O-N 3.01Å; D303-I306 WeakPolarHBondContact O-CB 3.41Å; D303-I306 PolarHBondContact O-N 3.47Å; V304-I306 VanDerWaalsContact C-N 3.31Å; V304-I306 PolarHBondContact O-N 3.49Å; I306-L308 VanDerWaalsContact C-N 3.27Å; I306-L308 PolarHBondContact O-N 2.96Å; I306-V309 PolarHBondContact O-N 3.39Å; I306-L310 HydrophobicContact CG2-CD1 3.96Å; I306-L310 HydrophobicContact CG2-CG 4.06Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.02Å
307G97Very high95.4Very high0 Ų026.9 Ų26.90%016%0.157CC..Hα-helixtrans-53.9-40.817800000114.2D303 V304 V305 L310 Y311D303-G307 PolarHBondContact O-N 3.42Å; V304-G307 WeakPolarHBondContact O-CA 3.47Å; V304-G307 PolarHBondContact O-N 3.44Å; V305-G307 VanDerWaalsContact C-N 3.35Å; V305-G307 PolarHBondContact O-N 2.94Å; G307-L310 PolarHBondContact O-N 3.45Å; G307-Y311 VanDerWaalsContact O-CB 3.3Å; G307-Y311 WeakPolarHBondContact O-CB 3.38Å; G307-Y311 PolarHBondContact O-N 3.3Å
308L95.1Very high95.8Very high0 Ų026.7 Ų26.70%016%0.161CC..Hα-helixtrans-65.2-40177.9-62.1171.9000111.9F55 Y265 P271 I296 L299 V304 V305 I306 K312F55-L308 HydrophobicContact CE2-CD2 3.6Å; F55-L308 HydrophobicContact CZ-CB 4.43Å; F55-L308 HydrophobicContact CZ-CD2 3.6Å; Y265-L308 HydrophobicContact CE2-CD1 4.49Å; Y265-L308 HydrophobicContact CE2-CD2 3.73Å; P271-L308 HydrophobicContact CG-CD2 3.94Å; I296-L308 HydrophobicContact CD1-CB 3.32Å; I296-L308 HydrophobicContact CG1-CB 4.25Å; L299-L308 HydrophobicContact CD1-CD1 3.85Å; L299-L308 HydrophobicContact CG-CD1 4.43Å; V304-L308 HydrophobicContact CG1-CD1 4.35Å; V304-L308 HydrophobicContact CG1-CG 4.38Å; V304-L308 WeakPolarHBondContact O-CG 3.36Å; V304-L308 PolarHBondContact O-N 2.87Å; V305-L308 PolarHBondContact O-N 3.3Å; I306-L308 VanDerWaalsContact C-N 3.27Å; I306-L308 PolarHBondContact O-N 2.96Å; L308-K312 PolarHBondContact O-N 3.42Å
309V95.5Very high96.1Very high0 Ų027.6 Ų27.60%016%0.164CC..Hα-helixtrans-68.5-45.4175.4177.30000110.9L63 L289 L293 I296 V305 I306 Y311 K312 L313L63-V309 HydrophobicContact CD1-CG1 4.33Å; L289-V309 HydrophobicContact CD2-CB 3.95Å; L289-V309 HydrophobicContact CD2-CG1 3.83Å; L293-V309 HydrophobicContact CD2-CG2 4.38Å; L293-V309 HydrophobicContact CG-CG2 4.46Å; I296-V309 HydrophobicContact CD1-CG2 4.05Å; I296-V309 HydrophobicContact CG2-CG2 3.96Å; V305-V309 PolarHBondContact O-N 3.5Å; V305-V309 VanDerWaalsContact O-N 3.13Å; I306-V309 PolarHBondContact O-N 3.39Å; V309-Y311 VanDerWaalsContact C-N 3.31Å; V309-Y311 PolarHBondContact O-N 3.4Å; V309-K312 PolarHBondContact O-N 3.47Å; V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.44Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å; V309-L313 PolarHBondContact O-N 3.44Å
310L96.5Very high96.2Very high1 Ų128.1 Ų28.11%0.00517%0.167CC..Hα-helixtrans-58.5-43.6177.2-65-178.5000112I240 V285 L289 I306 G307 K312 L313 G314 I315 P317I240-L310 HydrophobicContact CD1-CD1 3.95Å; I240-L310 HydrophobicContact CD1-CD2 4.21Å; I240-L310 HydrophobicContact CG2-CD1 3.98Å; I240-L310 HydrophobicContact CG2-CD2 3.82Å; V285-L310 HydrophobicContact CG1-CD2 4.39Å; L289-L310 HydrophobicContact CD2-CD2 4.26Å; I306-L310 HydrophobicContact CG2-CD1 3.96Å; I306-L310 HydrophobicContact CG2-CG 4.06Å; I306-L310 WeakPolarHBondContact O-CG 3.28Å; I306-L310 PolarHBondContact O-N 3.02Å; G307-L310 PolarHBondContact O-N 3.45Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.09Å; L310-L313 CarbonylContact O-C 3.56Å; L310-L313 PolarHBondContact O-N 3.3Å; L310-L313 VanDerWaalsContact O-N 3.11Å; L310-G314 PolarHBondContact O-N 3.43Å; L310-I315 HydrophobicContact CB-CB 4.44Å; L310-I315 HydrophobicContact CD2-CB 4.07Å; L310-I315 HydrophobicContact CD2-CG2 3.93Å; L310-I315 PolarHBondContact O-N 3.03Å; L310-P317 HydrophobicContact CD1-CB 4.03Å; L310-P317 HydrophobicContact CD1-CG 4.08Å
311Y94.2Very high96.1Very high98 Ų9832.3 Ų32.338%0.38419%0.187SC..Hα-helixtrans-59.3-43178.3-175-101.7000111.5L52 F55 P271 G307 V309 L313 G314L52-Y311 PolarHBondContact O-OH 3.22Å; L52-Y311 VanDerWaalsContact O-OH 3.14Å; F55-Y311 HydrophobicContact CB-CE1 3.89Å; F55-Y311 AromaticContact CD1-CD1 3.48Å; F55-Y311 HydrophobicContact CD1-CD1 3.48Å; F55-Y311 VanDerWaalsContact CD1-CD1 3.48Å; F55-Y311 AromaticContact CD1-CE1 3.42Å; F55-Y311 HydrophobicContact CD1-CE1 3.42Å; F55-Y311 VanDerWaalsContact CD1-CE1 3.42Å; F55-Y311 AromaticContact CE1-CD1 3.53Å; F55-Y311 HydrophobicContact CE1-CD1 3.53Å; F55-Y311 AromaticContact CE1-CE1 3.99Å; F55-Y311 HydrophobicContact CE1-CE1 3.99Å; F55-Y311 HydrophobicContact CG-CD1 4.16Å; F55-Y311 AromaticContact CG-CE1 3.81Å; F55-Y311 HydrophobicContact CG-CE1 3.81Å; F55-Y311 HydrophobicContact CZ-CD1 4.23Å; P271-Y311 HydrophobicContact CB-CD2 3.79Å; P271-Y311 HydrophobicContact CB-CG 3.84Å; P271-Y311 HydrophobicContact CG-CD1 4.32Å; P271-Y311 HydrophobicContact CG-CD2 4.14Å; P271-Y311 HydrophobicContact CG-CG 3.83Å; G307-Y311 VanDerWaalsContact O-CB 3.3Å; G307-Y311 WeakPolarHBondContact O-CB 3.38Å; G307-Y311 PolarHBondContact O-N 3.3Å; V309-Y311 VanDerWaalsContact C-N 3.31Å; V309-Y311 PolarHBondContact O-N 3.4Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.98Å; Y311-G314 PolarHBondContact O-N 3.25Å; Y311-G314 VanDerWaalsContact O-N 3.12Å
312K91.4Very high96Very high57 Ų5731.8 Ų31.825%0.24819%0.186CC..Hα-helixtrans-67.6-31.1176.3-173.4163.7178.6170.70113.2L59 V61 L63 L308 V309 L310 G314L59-K312 PolarHBondContact O-NZ 3.03Å; V61-K312 WeakPolarHBondContact O-CE 3.41Å; L63-K312 HydrophobicContact CD1-CB 4.13Å; L63-K312 HydrophobicContact CD1-CD 3.78Å; L63-K312 HydrophobicContact CD1-CG 3.83Å; L63-K312 HydrophobicContact CG-CD 4.11Å; L63-K312 HydrophobicContact CG-CG 4.28Å; L308-K312 PolarHBondContact O-N 3.42Å; V309-K312 PolarHBondContact O-N 3.47Å; L310-K312 VanDerWaalsContact C-N 3.3Å; L310-K312 PolarHBondContact O-N 3.09Å; K312-G314 VanDerWaalsContact C-N 3.29Å
313L93.6Very high95.9Very high9 Ų931.5 Ų31.55%0.04719%0.185CC..Hα-helixtrans-81.1-6.5173.5-67.9167.5000113L63 Y64 L288 V309 L310 Y311 I315L63-L313 HydrophobicContact CB-CD2 3.58Å; L63-L313 HydrophobicContact CB-CG 4.46Å; L63-L313 HydrophobicContact CD1-CD2 4.14Å; L63-L313 HydrophobicContact CD1-CG 4.13Å; Y64-L313 HydrophobicContact CD1-CD2 4.45Å; Y64-L313 HydrophobicContact CD2-CD2 3.92Å; Y64-L313 HydrophobicContact CE1-CD2 4.34Å; Y64-L313 HydrophobicContact CE2-CB 4.16Å; Y64-L313 HydrophobicContact CE2-CD2 3.8Å; Y64-L313 VanDerWaalsContact CE2-O 3.26Å; Y64-L313 WeakPolarHBondContact CE2-O 3.32Å; Y64-L313 HydrophobicContact CG-CD2 4.25Å; Y64-L313 PolarHBondContact OH-O 2.69Å; L288-L313 HydrophobicContact CB-CD1 3.82Å; L288-L313 HydrophobicContact CD2-CD1 4.43Å; L288-L313 HydrophobicContact CD2-CD2 3.97Å; L288-L313 HydrophobicContact CG-CD1 4.5Å; V309-L313 HydrophobicContact CG1-CD1 3.79Å; V309-L313 HydrophobicContact CG1-CG 4.44Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å; V309-L313 PolarHBondContact O-N 3.44Å; L310-L313 CarbonylContact O-C 3.56Å; L310-L313 PolarHBondContact O-N 3.3Å; L310-L313 VanDerWaalsContact O-N 3.11Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.98Å; L313-I315 HydrophobicContact CB-CB 4.46Å; L313-I315 HydrophobicContact CB-CD1 3.86Å; L313-I315 HydrophobicContact CB-CG1 3.87Å; L313-I315 HydrophobicContact CD1-CD1 4.02Å; L313-I315 PolarHBondContact O-N 3.19Å
314G94.2Very high95.7Very high66 Ų6633 Ų3368%0.6819%0.189SC*.THydrogen-bonded Turntrans64.320.3-172.200000113.9L310 Y311 K312L310-G314 PolarHBondContact O-N 3.43Å; Y311-G314 PolarHBondContact O-N 3.25Å; Y311-G314 VanDerWaalsContact O-N 3.12Å; K312-G314 VanDerWaalsContact C-N 3.29Å
315I97.3Very high95.3Very high11 Ų1134.3 Ų34.36%0.05620%0.197CC..PPolyproline II helixtrans-88.6128.4178.3-63.8174.3000109.1N238 I240 V285 L288 L310 L313N238-I315 HydrophobicContact CB-CD1 4.33Å; N238-I315 HydrophobicContact CB-CG1 4.23Å; N238-I315 HydrophobicContact CB-CG2 4.27Å; N238-I315 WeakPolarHBondContact O-CG2 3.43Å; I240-I315 HydrophobicContact CG2-CG2 3.92Å; V285-I315 HydrophobicContact CG2-CD1 4.47Å; L288-I315 HydrophobicContact CD1-CD1 3.99Å; L310-I315 HydrophobicContact CB-CB 4.44Å; L310-I315 HydrophobicContact CD2-CB 4.07Å; L310-I315 HydrophobicContact CD2-CG2 3.93Å; L310-I315 PolarHBondContact O-N 3.03Å; L313-I315 HydrophobicContact CB-CB 4.46Å; L313-I315 HydrophobicContact CB-CD1 3.86Å; L313-I315 HydrophobicContact CB-CG1 3.87Å; L313-I315 HydrophobicContact CD1-CD1 4.02Å; L313-I315 PolarHBondContact O-N 3.19Å
316S97.6Very high94.8Very high103 Ų10340 Ų4072%0.7223%0.227SC*.PPolyproline II helixtrans-99.1122174.5-66.70000110.6
317P98.4Very high93.6Very high19 Ų1948.7 Ų48.712%0.12326%0.26CS..PPolyproline II helixtrans-69.6145.617829.7-35000112I240 V244 A272 L310I240-P317 HydrophobicContact CG2-CB 4.22Å; I240-P317 WeakPolarHBondContact O-CA 3.3Å; V244-P317 HydrophobicContact CG1-CG 3.9Å; V244-P317 HydrophobicContact CG2-CB 3.82Å; V244-P317 HydrophobicContact CG2-CG 4.03Å; A272-P317 HydrophobicContact CB-CG 4.31Å; L310-P317 HydrophobicContact CD1-CB 4.03Å; L310-P317 HydrophobicContact CD1-CG 4.08Å
318V98.3Very high92.2Very high59 Ų5951.5 Ų51.536%0.35827%0.271SS..EExtended strand (participates in β ladder)trans-89.1124.8-178.6-179.30000110.2Y239 I240 A241 G242 V244 L320Y239-V318 HydrophobicContact CD2-CG2 4.41Å; Y239-V318 HydrophobicContact CE2-CB 4.47Å; Y239-V318 HydrophobicContact CE2-CG2 4.26Å; I240-V318 PolarHBondContact O-N 3.04Å; A241-V318 WeakPolarHBondContact CA-O 3.32Å; A241-V318 HydrophobicContact CB-CB 3.95Å; A241-V318 WeakPolarHBondContact CB-O 3.33Å; G242-V318 PolarHBondContact N-O 3.36Å; G242-V318 VanDerWaalsContact N-O 3.09Å; V244-V318 WeakPolarHBondContact CG2-O 3.36Å; V318-L320 HydrophobicContact CG1-CD2 4.45Å
319H97.9Very high90.4Very high51 Ų5156.1 Ų56.124%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-76.1132.7174.6-169.885000110.8G242 V244 D321G242-H319 WeakPolarHBondContact O-CA 3.31Å; V244-H319 HydrophobicContact CB-CB 4.01Å; V244-H319 HydrophobicContact CG2-CB 4.14Å; V244-H319 PolarHBondContact N-ND1 3.16Å; H319-D321 IonicContact CD2-OD1 3.88Å; H319-D321 PolarHBondContact CD2-OD1 2.87Å; H319-D321 IonicContact NE2-OD1 2.77Å; H319-D321 PolarHBondContact NE2-OD1 2.79Å
320L96.6Very high88.6Confident20 Ų2066.8 Ų66.811%0.10535%0.347CS..  trans-116.3111.9173.7-61.3177.7000109.6T227 A241 G242 I280 V318 G322 V323 I337T227-L320 HydrophobicContact CG2-CD1 4.12Å; T227-L320 HydrophobicContact CG2-CD2 3.81Å; A241-L320 HydrophobicContact CB-CD1 3.69Å; A241-L320 HydrophobicContact CB-CD2 4.42Å; A241-L320 HydrophobicContact CB-CG 3.92Å; G242-L320 PolarHBondContact O-N 3.32Å; I280-L320 HydrophobicContact CD1-CD1 3.73Å; V318-L320 HydrophobicContact CG1-CD2 4.45Å; L320-G322 PolarHBondContact O-N 2.63Å; L320-G322 VanDerWaalsContact O-N 3.09Å; L320-V323 HydrophobicContact CB-CB 4.42Å; L320-V323 HydrophobicContact CB-CG2 3.83Å; L320-V323 HydrophobicContact CD1-CG2 4.13Å; L320-V323 PolarHBondContact O-N 3.17Å; L320-I337 HydrophobicContact CB-CD1 4.17Å; L320-I337 HydrophobicContact CD1-CD1 4.08Å
321D92.7Very high86.6Confident127 Ų12769.1 Ų69.168%0.67937%0.372SS*.THydrogen-bonded Turntrans-60.9-21.9179.8-60.2-33.5000112.7H319 V323 Y324H319-D321 IonicContact CD2-OD1 3.88Å; H319-D321 PolarHBondContact CD2-OD1 2.87Å; H319-D321 IonicContact NE2-OD1 2.77Å; H319-D321 PolarHBondContact NE2-OD1 2.79Å; D321-V323 VanDerWaalsContact C-N 3.31Å; D321-V323 PolarHBondContact O-N 2.69Å; D321-Y324 VanDerWaalsContact O-CZ 3.28Å; D321-Y324 PolarHBondContact O-OH 3.5Å
322G93.7Very high84.9Confident4 Ų473 Ų734%0.04139%0.393CS..THydrogen-bonded Turntrans-77.8-6.1176.500000115.5L320 Y324 D335 I337 S338L320-G322 PolarHBondContact O-N 2.63Å; L320-G322 VanDerWaalsContact O-N 3.09Å; G322-Y324 WeakPolarHBondContact O-CD2 3.36Å; G322-D335 WeakPolarHBondContact CA-O 3.39Å; G322-I337 WeakPolarHBondContact O-CA 3.39Å; G322-I337 PolarHBondContact O-N 3.18Å; G322-S338 PolarHBondContact O-N 3.33Å; G322-S338 VanDerWaalsContact O-N 3.1Å
323V95.4Very high83.8Confident2 Ų273.3 Ų73.31%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-100.9106.1-179.7177.30000109.3N243 L320 D321 I337N243-V323 HydrophobicContact CB-CB 4.35Å; N243-V323 HydrophobicContact CB-CG1 3.93Å; N243-V323 PolarHBondContact ND2-O 2.8Å; N243-V323 VanDerWaalsContact ND2-O 3.09Å; L320-V323 HydrophobicContact CB-CB 4.42Å; L320-V323 HydrophobicContact CB-CG2 3.83Å; L320-V323 HydrophobicContact CD1-CG2 4.13Å; L320-V323 PolarHBondContact O-N 3.17Å; D321-V323 VanDerWaalsContact C-N 3.31Å; D321-V323 PolarHBondContact O-N 2.69Å; V323-I337 HydrophobicContact CG2-CB 4.14Å; V323-I337 HydrophobicContact CG2-CG2 4.16Å
324Y92.6Very high83Confident61 Ų6175.1 Ų75.124%0.23942%0.421CS..EExtended strand (participates in β ladder)trans-102.5117-175.6-62.6-87.2000111.4F217 D321 G322 Y328 L336 S338 I339 H340F217-Y324 WeakPolarHBondContact CE1-O 3.33Å; D321-Y324 VanDerWaalsContact O-CZ 3.28Å; D321-Y324 PolarHBondContact O-OH 3.5Å; G322-Y324 WeakPolarHBondContact O-CD2 3.36Å; Y324-Y328 AromaticContact CD1-CD2 3.78Å; Y324-Y328 HydrophobicContact CD1-CD2 3.78Å; Y324-Y328 HydrophobicContact CD1-CE2 4.06Å; Y324-Y328 HydrophobicContact CD2-CD2 4.17Å; Y324-Y328 HydrophobicContact CD2-CE2 4.37Å; Y324-Y328 AromaticContact CE1-CD2 3.65Å; Y324-Y328 HydrophobicContact CE1-CD2 3.65Å; Y324-Y328 AromaticContact CE1-CE2 3.42Å; Y324-Y328 HydrophobicContact CE1-CE2 3.42Å; Y324-Y328 VanDerWaalsContact CE1-CE2 3.42Å; Y324-Y328 HydrophobicContact CE2-CD2 4.06Å; Y324-Y328 AromaticContact CE2-CE2 3.79Å; Y324-Y328 HydrophobicContact CE2-CE2 3.79Å; Y324-Y328 HydrophobicContact CG-CD2 4.04Å; Y324-Y328 HydrophobicContact CG-CE2 4.5Å; Y324-Y328 AromaticContact CZ-CD2 3.81Å; Y324-Y328 AromaticContact CZ-CE2 3.28Å; Y324-Y328 WeakPolarHBondContact OH-CE2 3.45Å; Y324-L336 HydrophobicContact CD2-CD1 3.6Å; Y324-L336 HydrophobicContact CE2-CD1 3.92Å; Y324-S338 PolarHBondContact N-O 3.38Å; Y324-I339 WeakPolarHBondContact O-CA 3.33Å; Y324-H340 PolarHBondContact O-N 2.89Å
325V90.1Very high82.6Confident33 Ų3377.1 Ų77.120%0.242%0.416CS..SBendtrans-85.5-10.8178.4-64.30000113.7N243 M245 H340N243-V325 HydrophobicContact CB-CG1 3.57Å; M245-V325 HydrophobicContact CE-CG2 4.18Å; V325-H340 VanDerWaalsContact O-CB 3.31Å; V325-H340 WeakPolarHBondContact O-CB 3.3Å
326D84.8Confident82.3Confident120 Ų12076.9 Ų76.964%0.64241%0.414SS*.SBendtrans-120.1170.2174.3-70.7-54000109.9Y328D326-Y328 PolarHBondContact O-N 3.46Å
327R73.6Confident82.2Confident182 Ų18272.3 Ų72.369%0.68738%0.382SS*.PPolyproline II helixtrans-58.9134.7170.9-71.7-177177.1176.8-1.4110.3
328Y66.9Low82Confident59 Ų5971.4 Ų71.423%0.23138%0.376CS..PPolyproline II helixtrans-57.6130-178.7-153-140.5000111.4Y324 D326 K330 G331 H332 T333 I339Y324-Y328 AromaticContact CD1-CD2 3.78Å; Y324-Y328 HydrophobicContact CD1-CD2 3.78Å; Y324-Y328 HydrophobicContact CD1-CE2 4.06Å; Y324-Y328 HydrophobicContact CD2-CD2 4.17Å; Y324-Y328 HydrophobicContact CD2-CE2 4.37Å; Y324-Y328 AromaticContact CE1-CD2 3.65Å; Y324-Y328 HydrophobicContact CE1-CD2 3.65Å; Y324-Y328 AromaticContact CE1-CE2 3.42Å; Y324-Y328 HydrophobicContact CE1-CE2 3.42Å; Y324-Y328 VanDerWaalsContact CE1-CE2 3.42Å; Y324-Y328 HydrophobicContact CE2-CD2 4.06Å; Y324-Y328 AromaticContact CE2-CE2 3.79Å; Y324-Y328 HydrophobicContact CE2-CE2 3.79Å; Y324-Y328 HydrophobicContact CG-CD2 4.04Å; Y324-Y328 HydrophobicContact CG-CE2 4.5Å; Y324-Y328 AromaticContact CZ-CD2 3.81Å; Y324-Y328 AromaticContact CZ-CE2 3.28Å; Y324-Y328 WeakPolarHBondContact OH-CE2 3.45Å; D326-Y328 PolarHBondContact O-N 3.46Å; Y328-K330 PolarHBondContact O-N 2.61Å; Y328-G331 VanDerWaalsContact CE1-O 3.22Å; Y328-G331 WeakPolarHBondContact CE1-O 3.4Å; Y328-H332 VanDerWaalsContact OH-C 3.23Å; Y328-H332 PolarHBondContact OH-N 3.44Å; Y328-H332 PolarHBondContact OH-O 2.97Å; Y328-T333 HydrophobicContact CE1-CG2 4.19Å; Y328-I339 HydrophobicContact CG-CD1 4.17Å
329P56.2Low81.6Confident96 Ų9669 Ų6962%0.62336%0.361SS*.PPolyproline II helixtrans-62.6133.9156.925.1-29.6000108.9G331P329-G331 PolarHBondContact O-N 3.14Å
330K59.2Low81.3Confident224 Ų22469.2 Ų69.297%0.97436%0.362SS*.SBendtrans-48.1112.8177.7-64.2178.1179178.10109.8Y328Y328-K330 PolarHBondContact O-N 2.61Å
331G54.4Low80.9Confident50 Ų5068.7 Ų68.752%0.51536%0.361SS..SBendtrans179.9-172.1-171.400000113.1Y328 P329 T333Y328-G331 VanDerWaalsContact CE1-O 3.22Å; Y328-G331 WeakPolarHBondContact CE1-O 3.4Å; P329-G331 PolarHBondContact O-N 3.14Å; G331-T333 PolarHBondContact O-N 3.06Å
332H57.4Low80.5Confident181 Ų18163.7 Ų63.784%0.83833%0.333SS*.  trans-71113-170.5-74.2-77.3000115Y328 G334Y328-H332 VanDerWaalsContact OH-C 3.23Å; Y328-H332 PolarHBondContact OH-N 3.44Å; Y328-H332 PolarHBondContact OH-O 2.97Å; H332-G334 PolarHBondContact O-N 3.17Å; H332-G334 VanDerWaalsContact O-N 3.1Å
333T67.7Low80Confident63 Ų6365.3 Ų65.339%0.38735%0.35SS..G310 helixtrans-73.56.6177.154.60000115.3Y328 G331 D335 L336 L355Y328-T333 HydrophobicContact CE1-CG2 4.19Å; G331-T333 PolarHBondContact O-N 3.06Å; T333-D335 VanDerWaalsContact C-N 3.28Å; T333-D335 PolarHBondContact O-N 3.33Å; T333-L336 HydrophobicContact CG2-CD2 4.48Å; T333-L336 WeakPolarHBondContact O-CB 3.45Å; T333-L336 PolarHBondContact O-N 2.71Å; T333-L336 VanDerWaalsContact O-N 3.12Å; T333-L355 HydrophobicContact CG2-CD2 4.06Å
334G78.3Confident79.1Confident47 Ų4769.3 Ų69.349%0.48537%0.372SS..G310 helixtrans-58.3-34.5-16900000115N223 R226 H332N223-G334 PolarHBondContact ND2-O 3.13Å; R226-G334 PolarHBondContact NH2-O 3.44Å; H332-G334 PolarHBondContact O-N 3.17Å; H332-G334 VanDerWaalsContact O-N 3.1Å
335D86.2Confident78.1Confident108 Ų10869.6 Ų69.658%0.57838%0.377SS*.G310 helixtrans-113.213.2179-68.1-47.6000113.4R226 G322 T333 I337R226-D335 IonicContact CZ-OD1 3.87Å; R226-D335 IonicContact NH2-OD1 2.78Å; R226-D335 PolarHBondContact NH2-OD1 2.92Å; G322-D335 WeakPolarHBondContact CA-O 3.39Å; T333-D335 VanDerWaalsContact C-N 3.28Å; T333-D335 PolarHBondContact O-N 3.33Å; D335-I337 PolarHBondContact O-N 3.34Å
336L90.7Very high76.9Confident6 Ų672.1 Ų72.13%0.03140%0.396CS..  trans-58.7121175.6171.762.8000110.1H220 N223 Y324 T333 S338 I339 L355H220-L336 WeakPolarHBondContact CB-O 3.27Å; N223-L336 WeakPolarHBondContact CB-O 3.47Å; N223-L336 PolarHBondContact ND2-N 3.02Å; N223-L336 PolarHBondContact ND2-O 2.89Å; Y324-L336 HydrophobicContact CD2-CD1 3.6Å; Y324-L336 HydrophobicContact CE2-CD1 3.92Å; T333-L336 HydrophobicContact CG2-CD2 4.48Å; T333-L336 WeakPolarHBondContact O-CB 3.45Å; T333-L336 PolarHBondContact O-N 2.71Å; T333-L336 VanDerWaalsContact O-N 3.12Å; L336-S338 WeakPolarHBondContact CD1-O 3.37Å; L336-I339 HydrophobicContact CD1-CB 3.78Å; L336-I339 HydrophobicContact CD1-CG2 3.92Å; L336-I339 HydrophobicContact CD2-CG2 4.25Å; L336-L355 HydrophobicContact CD2-CD1 4.43Å
337I94Very high75.9Confident7 Ų770.2 Ų70.24%0.03638%0.382CS..  trans-103.2-51.1173.8-63.8168000109.4L219 H220 N223 L224 T227 L320 G322 V323 D335L219-I337 CarbonylContact C-O 3.57Å; L219-I337 WeakPolarHBondContact CA-O 3.42Å; L219-I337 HydrophobicContact CD1-CG2 4.45Å; L219-I337 WeakPolarHBondContact CD1-O 3.05Å; H220-I337 PolarHBondContact N-O 3.16Å; N223-I337 HydrophobicContact CB-CG1 4.33Å; L224-I337 HydrophobicContact CB-CG2 4.31Å; L224-I337 HydrophobicContact CD1-CG2 4.29Å; T227-I337 HydrophobicContact CG2-CD1 4.13Å; T227-I337 VanDerWaalsContact OG1-CD1 3.3Å; T227-I337 WeakPolarHBondContact OG1-CD1 3.27Å; L320-I337 HydrophobicContact CB-CD1 4.17Å; L320-I337 HydrophobicContact CD1-CD1 4.08Å; G322-I337 WeakPolarHBondContact O-CA 3.39Å; G322-I337 PolarHBondContact O-N 3.18Å; V323-I337 HydrophobicContact CG2-CB 4.14Å; V323-I337 HydrophobicContact CG2-CG2 4.16Å; D335-I337 PolarHBondContact O-N 3.34Å
338S94.1Very high75.9Confident0 Ų061.7 Ų61.70%035%0.351CS..EExtended strand (participates in β ladder)trans-150.5159173.970.40000112.2M218 T278 G322 Y324 L336M218-S338 CarbonylContact O-C 3.52Å; M218-S338 WeakPolarHBondContact O-CA 3.36Å; M218-S338 WeakPolarHBondContact O-CB 3.35Å; T278-S338 WeakPolarHBondContact CB-OG 3.45Å; T278-S338 WeakPolarHBondContact CG2-OG 3.22Å; T278-S338 WeakPolarHBondContact OG1-CB 3.38Å; T278-S338 PolarHBondContact OG1-OG 3.46Å; G322-S338 PolarHBondContact O-N 3.33Å; G322-S338 VanDerWaalsContact O-N 3.1Å; Y324-S338 PolarHBondContact N-O 3.38Å; L336-S338 WeakPolarHBondContact CD1-O 3.37Å
339I91.6Very high76.2Confident8 Ų861.2 Ų61.24%0.04135%0.352CS..EExtended strand (participates in β ladder)trans-151136.7-174.9176.3164.7000113F217 M218 Y324 Y328 L336 Y342F217-I339 VanDerWaalsContact CA-O 3.28Å; F217-I339 WeakPolarHBondContact CA-O 3.46Å; M218-I339 HydrophobicContact CB-CG2 4.07Å; M218-I339 HydrophobicContact CE-CG2 3.73Å; M218-I339 PolarHBondContact N-O 3.05Å; M218-I339 PolarHBondContact O-N 2.97Å; Y324-I339 WeakPolarHBondContact O-CA 3.33Å; Y328-I339 HydrophobicContact CG-CD1 4.17Å; L336-I339 HydrophobicContact CD1-CB 3.78Å; L336-I339 HydrophobicContact CD1-CG2 3.92Å; L336-I339 HydrophobicContact CD2-CG2 4.25Å; I339-Y342 HydrophobicContact CB-CE2 4.49Å; I339-Y342 HydrophobicContact CD1-CE2 4.46Å; I339-Y342 HydrophobicContact CG1-CE2 4.17Å; I339-Y342 HydrophobicContact CG2-CD2 4.29Å; I339-Y342 HydrophobicContact CG2-CE2 3.63Å
340H91.6Very high77.1Confident56 Ų5658.9 Ų58.926%0.25934%0.338SS..EExtended strand (participates in β ladder)trans-74157.8173.3-170.6-114.6000114.1D216 F217 Y324 V325D216-H340 IonicContact OD1-CD2 2.81Å; D216-H340 IonicContact OD1-NE2 3.27Å; D216-H340 IonicContact OD2-CD2 3.67Å; D216-H340 PolarHBondContact OD2-CD2 3.11Å; D216-H340 IonicContact OD2-CE1 3.74Å; D216-H340 IonicContact OD2-NE2 3.67Å; D216-H340 PolarHBondContact OD2-NE2 3.5Å; F217-H340 HydrophobicContact CD1-CB 4.33Å; F217-H340 AromaticContact CD2-CD2 3.85Å; F217-H340 HydrophobicContact CE1-CB 3.76Å; F217-H340 HydrophobicContact CE2-CB 4.1Å; F217-H340 AromaticContact CE2-CD2 3.3Å; F217-H340 WeakPolarHBondContact CE2-CD2 3.44Å; F217-H340 HydrophobicContact CZ-CB 3.6Å; F217-H340 AromaticContact CZ-CD2 3.67Å; F217-H340 AromaticContact CZ-CG 3.93Å; Y324-H340 PolarHBondContact O-N 2.89Å; V325-H340 VanDerWaalsContact O-CB 3.31Å; V325-H340 WeakPolarHBondContact O-CB 3.3Å
341G87.3Confident77.8Confident9 Ų948.7 Ų48.79%0.09330%0.295CS..  trans10719.2168.300000114.6D216 F347D216-G341 PolarHBondContact O-N 2.83Å; D216-G341 VanDerWaalsContact O-N 3.16Å; G341-F347 WeakPolarHBondContact O-CD1 3.35Å
342Y85.4Confident79Confident21 Ų2146.4 Ų46.48%0.08227%0.271CS..  trans-104.615.1-178.2-71.8-105.9000113L123 D216 M218 I339 D344 F347 S351L123-Y342 WeakPolarHBondContact CD2-O 3.45Å; D216-Y342 WeakPolarHBondContact O-CA 3.22Å; D216-Y342 PolarHBondContact O-N 3.39Å; M218-Y342 HydrophobicContact CB-CD1 3.71Å; M218-Y342 HydrophobicContact CB-CD2 3.8Å; M218-Y342 HydrophobicContact CB-CE1 3.88Å; M218-Y342 HydrophobicContact CB-CE2 4Å; M218-Y342 HydrophobicContact CB-CG 3.71Å; M218-Y342 HydrophobicContact CE-CD1 4.49Å; M218-Y342 HydrophobicContact CE-CE1 3.56Å; M218-Y342 HydrophobicContact CE-CE2 3.96Å; M218-Y342 WeakPolarHBondContact CE-OH 3.49Å; M218-Y342 HydrophobicContact CG-CD1 4.39Å; M218-Y342 HydrophobicContact CG-CE1 4.27Å; M218-Y342 HydrophobicContact SD-CD1 4Å; M218-Y342 HydrophobicContact SD-CE1 3.39Å; M218-Y342 WeakPolarHBondContact SD-CE1 3.46Å; I339-Y342 HydrophobicContact CB-CE2 4.49Å; I339-Y342 HydrophobicContact CD1-CE2 4.46Å; I339-Y342 HydrophobicContact CG1-CE2 4.17Å; I339-Y342 HydrophobicContact CG2-CD2 4.29Å; I339-Y342 HydrophobicContact CG2-CE2 3.63Å; Y342-D344 PolarHBondContact O-N 3.38Å; Y342-F347 HydrophobicContact CE1-CE1 4.4Å; Y342-F347 HydrophobicContact CE2-CE1 4.46Å; Y342-S351 VanDerWaalsContact CE1-CB 3.45Å
343G81.4Confident80.1Confident39 Ų3942.6 Ų42.640%0.40226%0.257SS..  trans-760.9175.100000115.5
344D78.1Confident80.5Confident86 Ų8647.7 Ų47.746%0.4627%0.273SS..SBendtrans-98.2116.9168.5178.2-22.2000108.7Y342 S346 F347 S348Y342-D344 PolarHBondContact O-N 3.38Å; D344-S346 PolarHBondContact O-N 2.78Å; D344-S346 WeakPolarHBondContact OD1-CB 3.3Å; D344-S346 PolarHBondContact OD1-N 2.84Å; D344-S346 PolarHBondContact OD1-OG 2.89Å; D344-F347 HydrophobicContact CB-CB 3.94Å; D344-F347 PolarHBondContact O-N 2.66Å; D344-S348 PolarHBondContact O-N 3.11Å; D344-S348 VanDerWaalsContact O-N 3.09Å
345D70.3Confident80.3Confident67 Ų6748.2 Ų48.236%0.35827%0.265SS..Hα-helixtrans-52.6-39.7-175.9-64.2-39.2000112.8E122 L123 N126E122-D345 HydrophobicContact CB-CB 4.3Å; E122-D345 VanDerWaalsContact CB-CG 3.41Å; E122-D345 WeakPolarHBondContact CB-OD1 3.45Å; E122-D345 WeakPolarHBondContact CB-OD2 3.37Å; L123-D345 WeakPolarHBondContact CD2-OD1 3.19Å; L123-D345 VanDerWaalsContact CG-OD1 3.31Å; L123-D345 WeakPolarHBondContact CG-OD1 3.49Å; L123-D345 PolarHBondContact N-OD1 2.73Å; N126-D345 WeakPolarHBondContact ND2-CA 3.3Å; N126-D345 PolarHBondContact ND2-O 3.43Å
346S64.9Low79.6Confident85 Ų8545.2 Ų45.259%0.59426%0.259SS*.Hα-helixtrans-73-32.3-178.471.20000112.6D344 S350D344-S346 PolarHBondContact O-N 2.78Å; D344-S346 WeakPolarHBondContact OD1-CB 3.3Å; D344-S346 PolarHBondContact OD1-N 2.84Å; D344-S346 PolarHBondContact OD1-OG 2.89Å; S346-S350 PolarHBondContact O-OG 3.42Å
347F65Low78.8Confident80 Ų8045.7 Ų45.735%0.35126%0.262SS..Hα-helixtrans-78.2-32.1-177.9-172.9-104.2000111.9G341 Y342 D344 S350 S351G341-F347 WeakPolarHBondContact O-CD1 3.35Å; Y342-F347 HydrophobicContact CE1-CE1 4.4Å; Y342-F347 HydrophobicContact CE2-CE1 4.46Å; D344-F347 HydrophobicContact CB-CB 3.94Å; D344-F347 PolarHBondContact O-N 2.66Å; F347-S350 PolarHBondContact O-OG 3.11Å; F347-S351 WeakPolarHBondContact CE1-OG 3.43Å; F347-S351 WeakPolarHBondContact CE2-OG 3.33Å; F347-S351 VanDerWaalsContact CZ-OG 3.3Å; F347-S351 WeakPolarHBondContact CZ-OG 3.34Å; F347-S351 WeakPolarHBondContact O-CB 3.27Å; F347-S351 PolarHBondContact O-N 3.44Å; F347-S351 PolarHBondContact O-OG 3.45Å
348S72.9Confident78.1Confident4 Ų447.5 Ų47.53%0.02827%0.27CS..Hα-helixtrans-66.5-56.9-170.5-171.60000113.3D344 S350 S351 W352D344-S348 PolarHBondContact O-N 3.11Å; D344-S348 VanDerWaalsContact O-N 3.09Å; S348-S350 PolarHBondContact O-N 3.3Å; S348-S351 PolarHBondContact O-N 3.18Å; S348-W352 WeakPolarHBondContact O-CB 3.24Å; S348-W352 PolarHBondContact O-N 2.85Å
349L74Confident77Confident49 Ų4949.9 Ų49.926%0.25729%0.29SS..Hα-helixtrans-66.9-38.5180-73.2176.3000112.8N126 Q129 S351 W352 N353N126-L349 HydrophobicContact CB-CD2 4.41Å; N126-L349 HydrophobicContact CB-CG 4.2Å; N126-L349 WeakPolarHBondContact OD1-CD1 3.32Å; N126-L349 WeakPolarHBondContact OD1-CG 3.34Å; Q129-L349 HydrophobicContact CB-CD2 4.19Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 2.74Å; L349-W352 PolarHBondContact O-N 2.88Å; L349-N353 WeakPolarHBondContact O-CB 3.46Å; L349-N353 VanDerWaalsContact O-CG 3.26Å; L349-N353 PolarHBondContact O-N 3.11Å; L349-N353 PolarHBondContact O-ND2 2.96Å
350S74.5Confident76Confident46 Ų4651.1 Ų51.132%0.32230%0.298SS..Hα-helixtrans-66.6-35.8179.764.70000112.2S346 F347 S348 K354S346-S350 PolarHBondContact O-OG 3.42Å; F347-S350 PolarHBondContact O-OG 3.11Å; S348-S350 PolarHBondContact O-N 3.3Å; S350-K354 VanDerWaalsContact O-CG 3.26Å; S350-K354 WeakPolarHBondContact O-CG 3.36Å; S350-K354 PolarHBondContact O-N 3.31Å; S350-K354 VanDerWaalsContact O-N 3.16Å
351S74.8Confident75.4Confident11 Ų1148.6 Ų48.68%0.07729%0.286CS..Hα-helixtrans-73.5-40.9175.6-63.50000112Y342 F347 S348 L349 N353 K354 L355Y342-S351 VanDerWaalsContact CE1-CB 3.45Å; F347-S351 WeakPolarHBondContact CE1-OG 3.43Å; F347-S351 WeakPolarHBondContact CE2-OG 3.33Å; F347-S351 VanDerWaalsContact CZ-OG 3.3Å; F347-S351 WeakPolarHBondContact CZ-OG 3.34Å; F347-S351 WeakPolarHBondContact O-CB 3.27Å; F347-S351 PolarHBondContact O-N 3.44Å; F347-S351 PolarHBondContact O-OG 3.45Å; S348-S351 PolarHBondContact O-N 3.18Å; L349-S351 VanDerWaalsContact C-N 3.32Å; L349-S351 PolarHBondContact O-N 2.74Å; S351-N353 VanDerWaalsContact C-N 3.34Å; S351-N353 PolarHBondContact O-N 2.91Å; S351-K354 PolarHBondContact O-N 2.91Å; S351-L355 WeakPolarHBondContact O-CG 3.19Å; S351-L355 PolarHBondContact O-N 2.71Å
352W79.7Confident74.9Confident2 Ų253.7 Ų53.71%0.00831%0.312CS..Hα-helixtrans-55.6-47.7172.1173.3-105.3000112.3W131 M218 S348 L349 K354 L355 L357 C361W131-W352 HydrophobicContact CB-CE3 4.18Å; W131-W352 HydrophobicContact CB-CH2 3.8Å; W131-W352 HydrophobicContact CB-CZ3 3.54Å; M218-W352 HydrophobicContact CG-CE3 4.32Å; M218-W352 HydrophobicContact SD-CB 4.42Å; M218-W352 HydrophobicContact SD-CE3 3.85Å; S348-W352 WeakPolarHBondContact O-CB 3.24Å; S348-W352 PolarHBondContact O-N 2.85Å; L349-W352 PolarHBondContact O-N 2.88Å; W352-K354 VanDerWaalsContact C-N 3.34Å; W352-K354 PolarHBondContact O-N 3.03Å; W352-L355 PolarHBondContact O-N 2.99Å; W352-L357 HydrophobicContact CD2-CB 4.2Å; W352-L357 HydrophobicContact CE3-CB 3.88Å; W352-L357 HydrophobicContact CE3-CD1 3.87Å; W352-L357 HydrophobicContact CE3-CG 4.46Å; W352-L357 HydrophobicContact CH2-CB 3.33Å; W352-L357 HydrophobicContact CH2-CD1 4.1Å; W352-L357 HydrophobicContact CH2-CG 4.35Å; W352-L357 HydrophobicContact CZ2-CB 3.67Å; W352-L357 HydrophobicContact CZ3-CB 3.44Å; W352-L357 VanDerWaalsContact CZ3-CB 3.44Å; W352-L357 HydrophobicContact CZ3-CD1 3.4Å; W352-L357 VanDerWaalsContact CZ3-CD1 3.4Å; W352-L357 HydrophobicContact CZ3-CG 4.05Å; W352-C361 VanDerWaalsContact CZ2-SG 3.57Å
353N78.9Confident73.7Confident101 Ų10162.8 Ų62.854%0.5435%0.346SS..Hα-helixtrans-62.5-39.8177.2-71.5-21.6000112.2L349 S351 L355 G356L349-N353 WeakPolarHBondContact O-CB 3.46Å; L349-N353 VanDerWaalsContact O-CG 3.26Å; L349-N353 PolarHBondContact O-N 3.11Å; L349-N353 PolarHBondContact O-ND2 2.96Å; S351-N353 VanDerWaalsContact C-N 3.34Å; S351-N353 PolarHBondContact O-N 2.91Å; N353-L355 VanDerWaalsContact C-N 3.3Å; N353-L355 PolarHBondContact O-N 2.81Å; N353-G356 PolarHBondContact O-N 2.92Å; N353-G356 VanDerWaalsContact O-N 3.11Å
354K76.3Confident73.3Confident169 Ų16964 Ų6474%0.73534%0.343SS*.Hα-helixtrans-65.6-30.3177.3-76.9169.7-175.8170.60113.4S350 S351 W352 G356S350-K354 VanDerWaalsContact O-CG 3.26Å; S350-K354 WeakPolarHBondContact O-CG 3.36Å; S350-K354 PolarHBondContact O-N 3.31Å; S350-K354 VanDerWaalsContact O-N 3.16Å; S351-K354 PolarHBondContact O-N 2.91Å; W352-K354 VanDerWaalsContact C-N 3.34Å; W352-K354 PolarHBondContact O-N 3.03Å; K354-G356 PolarHBondContact O-N 3.41Å
355L73.8Confident73Confident59 Ų5962.8 Ų62.831%0.30934%0.337SS..THydrogen-bonded Turntrans-73.3-10.7175.2-68.5-177.8000113.1M218 T333 L336 S351 W352 N353 L357M218-L355 HydrophobicContact CE-CD1 3.14Å; M218-L355 HydrophobicContact CE-CG 4.43Å; M218-L355 HydrophobicContact SD-CD1 3.95Å; T333-L355 HydrophobicContact CG2-CD2 4.06Å; L336-L355 HydrophobicContact CD2-CD1 4.43Å; S351-L355 WeakPolarHBondContact O-CG 3.19Å; S351-L355 PolarHBondContact O-N 2.71Å; W352-L355 PolarHBondContact O-N 2.99Å; N353-L355 VanDerWaalsContact C-N 3.3Å; N353-L355 PolarHBondContact O-N 2.81Å; L355-L357 HydrophobicContact CB-CD1 3.96Å; L355-L357 HydrophobicContact CB-CG 3.76Å; L355-L357 HydrophobicContact CD1-CD1 3.8Å; L355-L357 PolarHBondContact O-N 2.9Å
356G71.4Confident73.2Confident45 Ų4562.6 Ų62.646%0.46434%0.336SS..THydrogen-bonded Turntrans66.616.8-178.700000113.5N353 K354 Q358N353-G356 PolarHBondContact O-N 2.92Å; N353-G356 VanDerWaalsContact O-N 3.11Å; K354-G356 PolarHBondContact O-N 3.41Å; G356-Q358 VanDerWaalsContact C-N 3.3Å; G356-Q358 PolarHBondContact O-N 3.41Å
357L74.6Confident73.7Confident15 Ų1561.3 Ų61.38%0.07932%0.32CS..THydrogen-bonded Turntrans-76.4-17.4-176.9-63.6177.9000113H220 W352 L355 A359 V360H220-L357 VanDerWaalsContact NE2-CD2 3.32Å; H220-L357 WeakPolarHBondContact NE2-CD2 3.24Å; W352-L357 HydrophobicContact CD2-CB 4.2Å; W352-L357 HydrophobicContact CE3-CB 3.88Å; W352-L357 HydrophobicContact CE3-CD1 3.87Å; W352-L357 HydrophobicContact CE3-CG 4.46Å; W352-L357 HydrophobicContact CH2-CB 3.33Å; W352-L357 HydrophobicContact CH2-CD1 4.1Å; W352-L357 HydrophobicContact CH2-CG 4.35Å; W352-L357 HydrophobicContact CZ2-CB 3.67Å; W352-L357 HydrophobicContact CZ3-CB 3.44Å; W352-L357 VanDerWaalsContact CZ3-CB 3.44Å; W352-L357 HydrophobicContact CZ3-CD1 3.4Å; W352-L357 VanDerWaalsContact CZ3-CD1 3.4Å; W352-L357 HydrophobicContact CZ3-CG 4.05Å; L355-L357 HydrophobicContact CB-CD1 3.96Å; L355-L357 HydrophobicContact CB-CG 3.76Å; L355-L357 HydrophobicContact CD1-CD1 3.8Å; L355-L357 PolarHBondContact O-N 2.9Å; L357-A359 PolarHBondContact O-N 3.29Å; L357-V360 HydrophobicContact CD2-CG2 4.49Å; L357-V360 VanDerWaalsContact O-CB 3.23Å; L357-V360 WeakPolarHBondContact O-CB 3.33Å; L357-V360 PolarHBondContact O-N 3.33Å
358Q78.4Confident74.2Confident45 Ų4560.1 Ų60.121%0.2132%0.318CS..Hα-helixtrans-57.4-35.9175.1-170.560.537.500112G356 V360 C361 D362G356-Q358 VanDerWaalsContact C-N 3.3Å; G356-Q358 PolarHBondContact O-N 3.41Å; Q358-V360 PolarHBondContact O-N 3.47Å; Q358-V360 VanDerWaalsContact O-N 3.12Å; Q358-C361 WeakPolarHBondContact O-CA 3.25Å; Q358-C361 WeakPolarHBondContact O-CB 3.37Å; Q358-C361 PolarHBondContact O-N 3.38Å; Q358-D362 WeakPolarHBondContact CG-OD2 3.44Å; Q358-D362 PolarHBondContact NE2-OD1 2.97Å; Q358-D362 PolarHBondContact O-N 3.48Å
359A72.9Confident74.3Confident51 Ų5163.9 Ų63.942%0.42134%0.338SS..Hα-helixtrans-63.3-18.2175.900000113.7L357 R363L357-A359 PolarHBondContact O-N 3.29Å; A359-R363 WeakPolarHBondContact O-CD 3.25Å; A359-R363 VanDerWaalsContact O-CG 3.29Å; A359-R363 WeakPolarHBondContact O-CG 3.37Å
360V70.8Confident74.3Confident34 Ų3464.9 Ų64.921%0.20634%0.344CS..Hα-helixtrans-77.7-28.7172.3-176.90000111F140 L357 Q358F140-V360 HydrophobicContact CE2-CG1 3.57Å; F140-V360 HydrophobicContact CZ-CG1 3.93Å; L357-V360 HydrophobicContact CD2-CG2 4.49Å; L357-V360 VanDerWaalsContact O-CB 3.23Å; L357-V360 WeakPolarHBondContact O-CB 3.33Å; L357-V360 PolarHBondContact O-N 3.33Å; Q358-V360 PolarHBondContact O-N 3.47Å; Q358-V360 VanDerWaalsContact O-N 3.12Å
361C79.1Confident74.3Confident2 Ų266.4 Ų66.41%0.01435%0.345CS..Hα-helixtrans-91-23.8-177.2-52.80000113.6N135 C136 W352 Q358N135-C361 VanDerWaalsContact CB-O 3.27Å; N135-C361 WeakPolarHBondContact CB-O 3.46Å; C136-C361 HydrophobicContact CB-CB 4.01Å; C136-C361 WeakPolarHBondContact CB-SG 3.36Å; C136-C361 WeakPolarHBondContact SG-CB 3.31Å; C136-C361 CovalentContact SG-SG 2.03Å; C136-C361 PolarHBondContact SG-SG 2.78Å; W352-C361 VanDerWaalsContact CZ2-SG 3.57Å; Q358-C361 WeakPolarHBondContact O-CA 3.25Å; Q358-C361 WeakPolarHBondContact O-CB 3.37Å; Q358-C361 PolarHBondContact O-N 3.38Å
362D75.4Confident74.3Confident117 Ų11771 Ų7163%0.62637%0.368SS*.  trans-89.4-8.3-178.5-64.2-15.1000113.8Q358Q358-D362 WeakPolarHBondContact CG-OD2 3.44Å; Q358-D362 PolarHBondContact NE2-OD1 2.97Å; Q358-D362 PolarHBondContact O-N 3.48Å
363R60Low73.8Confident212 Ų21277.3 Ų77.380%0.840%0.4SS*.  trans-88.90177.8-75.4177-173.1-173.43.2112.1H139 A359H139-R363 PolarHBondContact ND1-OXT 3.06Å; A359-R363 WeakPolarHBondContact O-CD 3.25Å; A359-R363 VanDerWaalsContact O-CG 3.29Å; A359-R363 WeakPolarHBondContact O-CG 3.37Å

Retrieved 363 of 363 residues in 940.5 ms (Link to these results)

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