A0A087XHL0_POEFO Loading...

PIH1 domain-containing protein 2

AlphaFold DB , UniProt , Accession A0A087XHL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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
1M34.6Very low53.8Low245 Ų245115.8 Ų115.8100%1.20765%0.649SS**  0105.80-65.9-179.181.100106.1
2S30.9Very low55.8Low114 Ų114116.3 Ų116.380%0.79764%0.642SS**  trans-79.1125.9-166.1-42.30000109.7T4S2-T4 PolarHBondContact O-N 3.07Å; S2-T4 VanDerWaalsContact O-N 3.14Å
3S38.3Very low57.5Low118 Ų118114 Ų11483%0.82562%0.624SS**  trans-73.5101.2177-176.70000109.7
4T43.2Very low59.1Low117 Ų117108.8 Ų108.872%0.71860%0.597SS**  trans-82.95167.742.60000112.6S2 G6S2-T4 PolarHBondContact O-N 3.07Å; S2-T4 VanDerWaalsContact O-N 3.14Å; T4-G6 PolarHBondContact O-N 3Å
5G46.5Very low60.4Low13 Ų13105.7 Ų105.713%0.13459%0.586CS.*Hα-helixtrans-66.7-28.4-167.500000115.9R7 E8 D9G5-R7 PolarHBondContact O-N 3.14Å; G5-R7 VanDerWaalsContact O-N 3.09Å; G5-E8 PolarHBondContact O-N 3.09Å; G5-D9 VanDerWaalsContact C-OD2 3.25Å; G5-D9 WeakPolarHBondContact O-CB 3.38Å; G5-D9 PolarHBondContact O-N 2.88Å
6G56Low61.9Low55 Ų55107.7 Ų107.757%0.56759%0.589SS**Hα-helixtrans-61.4-31.4-16400000117T4 V10T4-G6 PolarHBondContact O-N 3Å; G6-V10 WeakPolarHBondContact O-CG2 3.41Å
7R55.6Low63.1Low213 Ų213106.4 Ų106.480%0.80458%0.577SS**Hα-helixtrans-92.3-38-176.2-154.6174.4179.3-175.1-1.9112.2G5 L11G5-R7 PolarHBondContact O-N 3.14Å; G5-R7 VanDerWaalsContact O-N 3.09Å; R7-L11 WeakPolarHBondContact O-CG 3.14Å; R7-L11 PolarHBondContact O-N 3.04Å; R7-L11 VanDerWaalsContact O-N 3.16Å
8E65.9Low64.4Low123 Ų123109.3 Ų109.358%0.57558%0.578SS**Hα-helixtrans-68.1-40.4174.2-68.5177.5170.500110.9G5 V10 L11 Q12G5-E8 PolarHBondContact O-N 3.09Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.28Å; E8-L11 PolarHBondContact O-N 2.76Å; E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.32Å; E8-Q12 PolarHBondContact O-N 2.89Å
9D72.2Confident65.6Low92 Ų92107.9 Ų107.949%0.49257%0.574SS.*Hα-helixtrans-62.6-39.8177.1-67-20.1000111.6G5 Q12 Q13G5-D9 VanDerWaalsContact C-OD2 3.25Å; G5-D9 WeakPolarHBondContact O-CB 3.38Å; G5-D9 PolarHBondContact O-N 2.88Å; D9-Q12 PolarHBondContact O-N 3.37Å; D9-Q13 WeakPolarHBondContact O-CB 3.49Å; D9-Q13 PolarHBondContact O-N 2.89Å
10V73.4Confident66.9Low65 Ų65105.6 Ų105.639%0.39456%0.56SS.*Hα-helixtrans-67.3-43.2176.5170.30000111.4G6 E8 Q12 Q13 V14G6-V10 WeakPolarHBondContact O-CG2 3.41Å; E8-V10 VanDerWaalsContact C-N 3.33Å; E8-V10 PolarHBondContact O-N 3.28Å; V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 3.4Å; V10-Q13 PolarHBondContact O-N 2.8Å; V10-V14 WeakPolarHBondContact O-CG2 3.18Å; V10-V14 PolarHBondContact O-N 3.06Å
11L75.6Confident68Low119 Ų119101.2 Ų101.262%0.62354%0.537SS*.Hα-helixtrans-64.7-39.4176.8-71.8173.2000111.7R7 E8 V14 S15R7-L11 WeakPolarHBondContact O-CG 3.14Å; R7-L11 PolarHBondContact O-N 3.04Å; R7-L11 VanDerWaalsContact O-N 3.16Å; E8-L11 PolarHBondContact O-N 2.76Å; L11-V14 PolarHBondContact O-N 2.92Å; L11-S15 PolarHBondContact O-N 2.84Å
12Q77.8Confident70.5Confident122 Ų12293.6 Ų93.657%0.5750%0.501SS*.Hα-helixtrans-62.7-44.8173.1-73.9178.914.600111.3E8 D9 V10 V14 S15 H16E8-Q12 WeakPolarHBondContact O-CB 3.44Å; E8-Q12 WeakPolarHBondContact O-CG 3.32Å; E8-Q12 PolarHBondContact O-N 2.89Å; D9-Q12 PolarHBondContact O-N 3.37Å; V10-Q12 VanDerWaalsContact C-N 3.33Å; V10-Q12 PolarHBondContact O-N 3.4Å; Q12-V14 VanDerWaalsContact C-N 3.31Å; Q12-V14 PolarHBondContact O-N 2.56Å; Q12-S15 WeakPolarHBondContact CA-OG 2.92Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 PolarHBondContact O-OG 3.24Å; Q12-H16 PolarHBondContact O-N 3.27Å
13Q77.4Confident73.4Confident86 Ų8692.4 Ų92.440%0.40249%0.486SS..Hα-helixtrans-59.9-41.3176.8-172.6174.212.700112.4D9 V10 H16 F17 C213D9-Q13 WeakPolarHBondContact O-CB 3.49Å; D9-Q13 PolarHBondContact O-N 2.89Å; V10-Q13 PolarHBondContact O-N 2.8Å; Q13-H16 PolarHBondContact O-N 2.87Å; Q13-F17 WeakPolarHBondContact O-CB 3.48Å; Q13-F17 PolarHBondContact O-N 2.84Å; Q13-C213 PolarHBondContact OE1-SG 3.01Å
14V79.5Confident75.8Confident41 Ų4188.7 Ų88.725%0.24846%0.457CS..Hα-helixtrans-64.1-45.9175.5170.90000110.6V10 L11 Q12 H16 F17 W18 I211V10-V14 WeakPolarHBondContact O-CG2 3.18Å; V10-V14 PolarHBondContact O-N 3.06Å; L11-V14 PolarHBondContact O-N 2.92Å; Q12-V14 VanDerWaalsContact C-N 3.31Å; Q12-V14 PolarHBondContact O-N 2.56Å; V14-H16 PolarHBondContact O-N 3.19Å; V14-F17 WeakPolarHBondContact O-CB 3.47Å; V14-F17 PolarHBondContact O-N 2.87Å; V14-W18 PolarHBondContact O-N 2.91Å; V14-I211 HydrophobicContact CG2-CD1 4.36Å
15S79.3Confident78.1Confident63 Ų6385.1 Ų85.144%0.44144%0.437SS..Hα-helixtrans-59.6-44.5177.673.50000112.4L11 Q12 F17 W18 V19L11-S15 PolarHBondContact O-N 2.84Å; Q12-S15 WeakPolarHBondContact CA-OG 2.92Å; Q12-S15 PolarHBondContact O-N 2.86Å; Q12-S15 PolarHBondContact O-OG 3.24Å; S15-F17 VanDerWaalsContact C-N 3.32Å; S15-F17 PolarHBondContact O-N 2.84Å; S15-W18 PolarHBondContact O-N 2.79Å; S15-V19 WeakPolarHBondContact O-CG2 3.42Å; S15-V19 PolarHBondContact O-N 3.44Å
16H83.6Confident80.1Confident137 Ų13791 Ų9163%0.63446%0.461SS*.Hα-helixtrans-62.4-39.9177179.8-87.4000111.9Q12 Q13 V14 V19 M20Q12-H16 PolarHBondContact O-N 3.27Å; Q13-H16 PolarHBondContact O-N 2.87Å; V14-H16 PolarHBondContact O-N 3.19Å; H16-V19 PolarHBondContact O-N 3.29Å; H16-M20 WeakPolarHBondContact O-CB 3.5Å; H16-M20 PolarHBondContact O-N 2.78Å
17F82.2Confident81.9Confident86 Ų8692.9 Ų92.938%0.37747%0.465SS..Hα-helixtrans-62.6-41.8175.3-173.3-104.3000112.1Q13 V14 S15 M20 L21 F35Q13-F17 WeakPolarHBondContact O-CB 3.48Å; Q13-F17 PolarHBondContact O-N 2.84Å; V14-F17 WeakPolarHBondContact O-CB 3.47Å; V14-F17 PolarHBondContact O-N 2.87Å; S15-F17 VanDerWaalsContact C-N 3.32Å; S15-F17 PolarHBondContact O-N 2.84Å; F17-M20 HydrophobicContact CD2-CE 3.38Å; F17-M20 HydrophobicContact CE2-CE 3.36Å; F17-M20 HydrophobicContact CG-CE 4.24Å; F17-M20 HydrophobicContact CZ-CE 4.22Å; F17-M20 PolarHBondContact O-N 2.77Å; F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.31Å; F17-L21 HydrophobicContact CE1-CD1 3.38Å; F17-L21 HydrophobicContact CE1-CG 4.02Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.29Å; F17-L21 HydrophobicContact CZ-CG 4.22Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.79Å; F17-F35 HydrophobicContact CE2-CZ 4.07Å; F17-F35 HydrophobicContact CZ-CE1 4.13Å; F17-F35 HydrophobicContact CZ-CZ 4.08Å
18W86.6Confident83.7Confident159 Ų15986.3 Ų86.360%0.60245%0.446SS*.Hα-helixtrans-64.2-43.1176.2-68.8121.6000112.8V14 S15 M20 L21 D22V14-W18 PolarHBondContact O-N 2.91Å; S15-W18 PolarHBondContact O-N 2.79Å; W18-M20 VanDerWaalsContact C-N 3.34Å; W18-L21 HydrophobicContact CE3-CD1 4.02Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.48Å; W18-D22 PolarHBondContact O-N 3.47Å
19V88Confident85Confident83 Ų8383.4 Ų83.450%0.50344%0.438SS..Hα-helixtrans-59.7-47.2175.2172.30000110.3S15 H16 L21 D22 D23S15-V19 WeakPolarHBondContact O-CG2 3.42Å; S15-V19 PolarHBondContact O-N 3.44Å; H16-V19 PolarHBondContact O-N 3.29Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.08Å; V19-D22 PolarHBondContact O-N 3.03Å; V19-D22 VanDerWaalsContact O-N 3.17Å; V19-D23 WeakPolarHBondContact O-CB 3.17Å; V19-D23 PolarHBondContact O-N 2.82Å
20M91.8Very high85.9Confident60 Ų6082 Ų8230%0.29644%0.439SS..Hα-helixtrans-58.7-40.5176.7177.5-84-61.400112.6H16 F17 W18 L24H16-M20 WeakPolarHBondContact O-CB 3.5Å; H16-M20 PolarHBondContact O-N 2.78Å; F17-M20 HydrophobicContact CD2-CE 3.38Å; F17-M20 HydrophobicContact CE2-CE 3.36Å; F17-M20 HydrophobicContact CG-CE 4.24Å; F17-M20 HydrophobicContact CZ-CE 4.22Å; F17-M20 PolarHBondContact O-N 2.77Å; W18-M20 VanDerWaalsContact C-N 3.34Å; M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.41Å; M20-L24 PolarHBondContact O-N 2.71Å
21L88.9Confident86.7Confident15 Ų1580.5 Ų80.58%0.07943%0.433CS..Hα-helixtrans-67.8-39.1176.8-72.8-178.6000112.7F17 W18 V19 S25 Y32 F35F17-L21 HydrophobicContact CD1-CD1 3.83Å; F17-L21 HydrophobicContact CD1-CG 4.31Å; F17-L21 HydrophobicContact CE1-CD1 3.38Å; F17-L21 HydrophobicContact CE1-CG 4.02Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 HydrophobicContact CZ-CD2 4.29Å; F17-L21 HydrophobicContact CZ-CG 4.22Å; F17-L21 WeakPolarHBondContact O-CG 3.47Å; F17-L21 PolarHBondContact O-N 2.79Å; W18-L21 HydrophobicContact CE3-CD1 4.02Å; W18-L21 HydrophobicContact CZ3-CD1 4.07Å; W18-L21 PolarHBondContact O-N 3.48Å; V19-L21 VanDerWaalsContact C-N 3.3Å; V19-L21 PolarHBondContact O-N 3.08Å; L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.17Å; L21-Y32 HydrophobicContact CB-CE2 4.23Å; L21-Y32 HydrophobicContact CD2-CD2 4.46Å; L21-Y32 HydrophobicContact CD2-CE2 4.06Å; L21-F35 HydrophobicContact CD2-CD1 3.93Å; L21-F35 HydrophobicContact CD2-CE1 3.69Å
22D88.8Confident87.4Confident84 Ų8478.4 Ų78.445%0.44942%0.418SS..Hα-helixtrans-65.6-49.1176.7-171.438.8000110.6W18 V19 L24 S25 Q26W18-D22 PolarHBondContact O-N 3.47Å; V19-D22 PolarHBondContact O-N 3.03Å; V19-D22 VanDerWaalsContact O-N 3.17Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.02Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 3.3Å; D22-S25 VanDerWaalsContact O-N 3.08Å; D22-S25 PolarHBondContact O-OG 3.42Å; D22-Q26 WeakPolarHBondContact O-CG 3.27Å; D22-Q26 PolarHBondContact O-N 3.01Å; D22-Q26 PolarHBondContact OD1-NE2 2.87Å; D22-Q26 PolarHBondContact OD2-NE2 2.79Å
23D91.9Very high87.9Confident89 Ų8980.3 Ų80.348%0.47642%0.42SS..Hα-helixtrans-56-46.9175.9-73.4-18000111.3V19 S25 Q26 S27V19-D23 WeakPolarHBondContact O-CB 3.17Å; V19-D23 PolarHBondContact O-N 2.82Å; D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact O-N 2.84Å; D23-Q26 PolarHBondContact O-N 2.85Å; D23-S27 VanDerWaalsContact O-CB 3.27Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 2.83Å; D23-S27 PolarHBondContact O-OG 2.85Å
24L87.7Confident88.6Confident40 Ų4082.2 Ų82.221%0.20943%0.427CS..Hα-helixtrans-64.6-38.1178.6-167.466.9000111.3M20 D22 Q26 D28 A31 Y32 F35M20-L24 VanDerWaalsContact O-CB 3.25Å; M20-L24 WeakPolarHBondContact O-CB 3.41Å; M20-L24 PolarHBondContact O-N 2.71Å; D22-L24 VanDerWaalsContact C-N 3.33Å; D22-L24 PolarHBondContact O-N 3.02Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.8Å; L24-D28 CarbonylContact O-C 3.52Å; L24-D28 PolarHBondContact O-N 3.37Å; L24-A31 HydrophobicContact CD1-CB 3.92Å; L24-Y32 HydrophobicContact CB-CD2 4.34Å; L24-Y32 HydrophobicContact CD2-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CD2 4.48Å; L24-F35 HydrophobicContact CD2-CB 4.19Å
25S90.5Very high89Confident43 Ų4382.6 Ų82.630%0.30143%0.425SS..Hα-helixtrans-66-32.1178.382.60000113.2L21 D22 D23 P29L21-S25 WeakPolarHBondContact O-CB 3.42Å; L21-S25 PolarHBondContact O-N 3.17Å; D22-S25 WeakPolarHBondContact O-CB 3.35Å; D22-S25 PolarHBondContact O-N 3.3Å; D22-S25 VanDerWaalsContact O-N 3.08Å; D22-S25 PolarHBondContact O-OG 3.42Å; D23-S25 VanDerWaalsContact C-N 3.32Å; D23-S25 PolarHBondContact O-N 2.84Å; S25-P29 WeakPolarHBondContact O-CG 3.13Å
26Q90.4Very high89.5Confident136 Ų13682.4 Ų82.464%0.63642%0.418SS*.Hα-helixtrans-87.7-40.7-179.3-64.8178.23200112.5D22 D23 L24D22-Q26 WeakPolarHBondContact O-CG 3.27Å; D22-Q26 PolarHBondContact O-N 3.01Å; D22-Q26 PolarHBondContact OD1-NE2 2.87Å; D22-Q26 PolarHBondContact OD2-NE2 2.79Å; D23-Q26 PolarHBondContact O-N 2.85Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.8Å
27S93.5Very high89.6Confident95 Ų9582.1 Ų82.166%0.66442%0.417SS*.Hα-helixtrans-85.5-39.6-174.262.30000113.9D23D23-S27 VanDerWaalsContact O-CB 3.27Å; D23-S27 WeakPolarHBondContact O-CB 3.42Å; D23-S27 PolarHBondContact O-N 2.83Å; D23-S27 PolarHBondContact O-OG 2.85Å
28D93.2Very high89.8Confident75 Ų7581.9 Ų81.940%0.40142%0.417SS..  trans-143.782.9177.9-172.3-13.1000111.4L24 A30 A31 Y32L24-D28 CarbonylContact O-C 3.52Å; L24-D28 PolarHBondContact O-N 3.37Å; D28-A30 PolarHBondContact O-N 2.79Å; D28-A30 VanDerWaalsContact O-N 3.1Å; D28-A30 WeakPolarHBondContact OD1-CB 3.44Å; D28-A30 PolarHBondContact OD1-N 2.84Å; D28-A30 VanDerWaalsContact OD1-N 3.11Å; D28-A31 HydrophobicContact CB-CB 3.92Å; D28-A31 PolarHBondContact O-N 2.96Å; D28-A31 VanDerWaalsContact O-N 3.15Å; D28-A31 PolarHBondContact OD1-N 2.9Å; D28-A31 VanDerWaalsContact OD2-CB 3.24Å; D28-A31 WeakPolarHBondContact OD2-CB 3.34Å; D28-Y32 PolarHBondContact O-N 3.02Å
29P92.3Very high89.7Confident61 Ų6177.8 Ų77.840%0.39641%0.405SS..Hα-helixtrans-58.6-25.6179.5-23.231.3000114S25 R33S25-P29 WeakPolarHBondContact O-CG 3.13Å; P29-R33 VanDerWaalsContact O-CG 3.31Å; P29-R33 WeakPolarHBondContact O-CG 3.42Å; P29-R33 PolarHBondContact O-N 2.8Å; P29-R33 VanDerWaalsContact O-N 3.15Å
30A92.3Very high89.5Confident62 Ų6280.6 Ų80.651%0.51241%0.414SS..Hα-helixtrans-75.7-44178.900000110.8D28 Y32 R33 K34D28-A30 PolarHBondContact O-N 2.79Å; D28-A30 VanDerWaalsContact O-N 3.1Å; D28-A30 WeakPolarHBondContact OD1-CB 3.44Å; D28-A30 PolarHBondContact OD1-N 2.84Å; D28-A30 VanDerWaalsContact OD1-N 3.11Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; A30-R33 PolarHBondContact O-N 3.1Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.02Å
31A89.1Confident89.2Confident34 Ų3485.9 Ų85.928%0.28144%0.436SS..Hα-helixtrans-63.8-39.1172.700000112L24 D28 K34 F35L24-A31 HydrophobicContact CD1-CB 3.92Å; D28-A31 HydrophobicContact CB-CB 3.92Å; D28-A31 PolarHBondContact O-N 2.96Å; D28-A31 VanDerWaalsContact O-N 3.15Å; D28-A31 PolarHBondContact OD1-N 2.9Å; D28-A31 VanDerWaalsContact OD2-CB 3.24Å; D28-A31 WeakPolarHBondContact OD2-CB 3.34Å; A31-K34 PolarHBondContact O-N 2.93Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.17Å
32Y90.1Very high88.8Confident76 Ų7691.8 Ų91.830%0.29846%0.457SS..Hα-helixtrans-57-51.8173.5177.8-96.6000111.8L21 L24 D28 A30 K34 F35 I36L21-Y32 HydrophobicContact CB-CE2 4.23Å; L21-Y32 HydrophobicContact CD2-CD2 4.46Å; L21-Y32 HydrophobicContact CD2-CE2 4.06Å; L24-Y32 HydrophobicContact CB-CD2 4.34Å; L24-Y32 HydrophobicContact CD2-CD2 4.36Å; L24-Y32 HydrophobicContact CG-CD2 4.48Å; D28-Y32 PolarHBondContact O-N 3.02Å; A30-Y32 VanDerWaalsContact C-N 3.34Å; Y32-K34 PolarHBondContact O-N 2.92Å; Y32-F35 WeakPolarHBondContact O-CB 3.42Å; Y32-F35 PolarHBondContact O-N 3.15Å; Y32-I36 HydrophobicContact CD1-CG1 4.28Å; Y32-I36 HydrophobicContact CE1-CG1 3.83Å; Y32-I36 HydrophobicContact CE2-CD1 4.2Å; Y32-I36 HydrophobicContact CE2-CG1 4.15Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 2.84Å
33R89.7Confident88.4Confident161 Ų16188.7 Ų88.761%0.60845%0.445SS*.Hα-helixtrans-58.4-48178.5-73.7173.4-168.6148.34.7111.7P29 A30 F35 I36 E37P29-R33 VanDerWaalsContact O-CG 3.31Å; P29-R33 WeakPolarHBondContact O-CG 3.42Å; P29-R33 PolarHBondContact O-N 2.8Å; P29-R33 VanDerWaalsContact O-N 3.15Å; A30-R33 PolarHBondContact O-N 3.1Å; R33-F35 VanDerWaalsContact C-N 3.3Å; R33-F35 PolarHBondContact O-N 3.19Å; R33-I36 PolarHBondContact O-N 3.31Å; R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.03Å
34K90.9Very high87.9Confident127 Ų12787.2 Ų87.255%0.55245%0.446SS*.Hα-helixtrans-58.6-43.1177.7-175-177.7174.7-172.30111.6A30 A31 Y32 E37 E38A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.02Å; A31-K34 PolarHBondContact O-N 2.93Å; Y32-K34 PolarHBondContact O-N 2.92Å; K34-E37 PolarHBondContact O-N 2.96Å; K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CB 3.44Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.01Å
35F88.9Confident87.4Confident48 Ų4891.1 Ų91.121%0.21146%0.463CS..Hα-helixtrans-59.4-50176.3176.7-90.7000111.3F17 L21 L24 A31 Y32 R33 E37 E38 Q39F17-F35 HydrophobicContact CE2-CZ 4.07Å; F17-F35 HydrophobicContact CZ-CE1 4.13Å; F17-F35 HydrophobicContact CZ-CZ 4.08Å; L21-F35 HydrophobicContact CD2-CD1 3.93Å; L21-F35 HydrophobicContact CD2-CE1 3.69Å; L24-F35 HydrophobicContact CD2-CB 4.19Å; A31-F35 WeakPolarHBondContact O-CB 3.21Å; A31-F35 PolarHBondContact O-N 3.17Å; Y32-F35 WeakPolarHBondContact O-CB 3.42Å; Y32-F35 PolarHBondContact O-N 3.15Å; R33-F35 VanDerWaalsContact C-N 3.3Å; R33-F35 PolarHBondContact O-N 3.19Å; F35-E37 PolarHBondContact O-N 3.47Å; F35-E38 PolarHBondContact O-N 3.14Å; F35-Q39 HydrophobicContact CD1-CG 4.08Å; F35-Q39 HydrophobicContact CE1-CG 3.61Å; F35-Q39 HydrophobicContact CE2-CG 4.35Å; F35-Q39 HydrophobicContact CZ-CG 3.77Å; F35-Q39 WeakPolarHBondContact O-CG 3.37Å; F35-Q39 PolarHBondContact O-N 3.05Å
36I88.3Confident86.9Confident59 Ų5994 Ų9430%0.30347%0.47SS..Hα-helixtrans-61.1-45.3178.7-62.5-61.5000111Y32 R33 E38 Q39 M40Y32-I36 HydrophobicContact CD1-CG1 4.28Å; Y32-I36 HydrophobicContact CE1-CG1 3.83Å; Y32-I36 HydrophobicContact CE2-CD1 4.2Å; Y32-I36 HydrophobicContact CE2-CG1 4.15Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 2.84Å; R33-I36 PolarHBondContact O-N 3.31Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 2.79Å; I36-M40 HydrophobicContact CG2-CG 4.25Å; I36-M40 VanDerWaalsContact O-CG 3.27Å; I36-M40 WeakPolarHBondContact O-CG 3.37Å; I36-M40 PolarHBondContact O-N 3.35Å
37E86.8Confident86.4Confident131 Ų13192.1 Ų92.161%0.61246%0.464SS*.Hα-helixtrans-59-43.7176.7-74.1172.5-171.100112.1R33 K34 F35 M40 K41R33-E37 WeakPolarHBondContact O-CB 3.35Å; R33-E37 WeakPolarHBondContact O-CG 3.43Å; R33-E37 PolarHBondContact O-N 3.03Å; K34-E37 PolarHBondContact O-N 2.96Å; F35-E37 PolarHBondContact O-N 3.47Å; E37-M40 PolarHBondContact O-N 2.88Å; E37-K41 VanDerWaalsContact O-CB 3.31Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 3.34Å
38E86.6Confident86Confident81 Ų8189.2 Ų89.238%0.37945%0.446SS..Hα-helixtrans-64.9-37.9175.8-75.8179.4-173.800112.7K34 F35 I36 R42K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CB 3.44Å; K34-E38 WeakPolarHBondContact O-CG 3.37Å; K34-E38 PolarHBondContact O-N 3.01Å; F35-E38 PolarHBondContact O-N 3.14Å; I36-E38 VanDerWaalsContact C-N 3.34Å; I36-E38 PolarHBondContact O-N 3.46Å; E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 PolarHBondContact O-NE 2.77Å; E38-R42 IonicContact OE2-NH2 3.92Å
39Q84.9Confident85.8Confident74 Ų7488.2 Ų88.235%0.34644%0.444SS..Hα-helixtrans-66.7-43.9174.2-66.9-50-40.500111.2F35 I36 K41 R42 G43F35-Q39 HydrophobicContact CD1-CG 4.08Å; F35-Q39 HydrophobicContact CE1-CG 3.61Å; F35-Q39 HydrophobicContact CE2-CG 4.35Å; F35-Q39 HydrophobicContact CZ-CG 3.77Å; F35-Q39 WeakPolarHBondContact O-CG 3.37Å; F35-Q39 PolarHBondContact O-N 3.05Å; I36-Q39 PolarHBondContact O-N 2.79Å; Q39-K41 PolarHBondContact O-N 3.3Å; Q39-R42 VanDerWaalsContact NE2-NH2 3.1Å; Q39-R42 PolarHBondContact O-N 3Å; Q39-G43 PolarHBondContact O-N 3.18Å
40M83.3Confident85.8Confident141 Ų14185.8 Ų85.870%0.69543%0.428SS*.Hα-helixtrans-63.7-42.1177.7-68.5-62.7-106.800111.4I36 E37 G43 A44I36-M40 HydrophobicContact CG2-CG 4.25Å; I36-M40 VanDerWaalsContact O-CG 3.27Å; I36-M40 WeakPolarHBondContact O-CG 3.37Å; I36-M40 PolarHBondContact O-N 3.35Å; E37-M40 PolarHBondContact O-N 2.88Å; M40-G43 PolarHBondContact O-N 3.14Å; M40-A44 PolarHBondContact O-N 3.13Å
41K84.4Confident85.7Confident172 Ų17289 Ų8975%0.74843%0.432SS*.Hα-helixtrans-63.3-46.4176-174179.9-179.8-178.80111.9E37 Q39 A44E37-K41 VanDerWaalsContact O-CB 3.31Å; E37-K41 WeakPolarHBondContact O-CB 3.4Å; E37-K41 PolarHBondContact O-N 3.34Å; Q39-K41 PolarHBondContact O-N 3.3Å; K41-A44 WeakPolarHBondContact O-CB 3.42Å; K41-A44 PolarHBondContact O-N 3Å
42R81Confident85.8Confident138 Ų13889.8 Ų89.852%0.52143%0.431SS..Hα-helixtrans-64-42.5175.6-81.8-174.3-84.7-171.6-13.8111.7E38 Q39 A44 F46E38-R42 WeakPolarHBondContact O-CB 3.4Å; E38-R42 WeakPolarHBondContact O-CG 3.38Å; E38-R42 PolarHBondContact O-N 3.12Å; E38-R42 PolarHBondContact O-NE 2.77Å; E38-R42 IonicContact OE2-NH2 3.92Å; Q39-R42 VanDerWaalsContact NE2-NH2 3.1Å; Q39-R42 PolarHBondContact O-N 3Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 2.73Å; R42-F46 WeakPolarHBondContact O-CD2 3.3Å
43G79.5Confident85.8Confident20 Ų2088 Ų8821%0.20643%0.426CS..Hα-helixtrans-65.3-27.3178.600000113.2Q39 M40 E45 F46 N47Q39-G43 PolarHBondContact O-N 3.18Å; M40-G43 PolarHBondContact O-N 3.14Å; G43-E45 VanDerWaalsContact C-N 3.26Å; G43-E45 PolarHBondContact O-N 3.35Å; G43-F46 PolarHBondContact O-N 3.4Å; G43-N47 WeakPolarHBondContact O-CB 3.42Å; G43-N47 PolarHBondContact O-N 2.82Å; G43-N47 PolarHBondContact O-ND2 2.83Å
44A81.6Confident85.8Confident58 Ų5880.8 Ų80.848%0.47940%0.4SS..Hα-helixtrans-56.2-39.4-179.800000112.5M40 K41 R42 N47 A48M40-A44 PolarHBondContact O-N 3.13Å; K41-A44 WeakPolarHBondContact O-CB 3.42Å; K41-A44 PolarHBondContact O-N 3Å; R42-A44 VanDerWaalsContact C-N 3.26Å; R42-A44 PolarHBondContact O-N 2.73Å; A44-N47 CarbonylContact O-C 3.07Å; A44-N47 PolarHBondContact O-N 2.92Å; A44-A48 PolarHBondContact O-N 2.93Å
45E78.1Confident85.8Confident122 Ų12274.8 Ų74.857%0.5737%0.374SS*.Hα-helixtrans-68.5-37177.2-65.1-175.1-167.900112.7G43 N47 A48 K76G43-E45 VanDerWaalsContact C-N 3.26Å; G43-E45 PolarHBondContact O-N 3.35Å; E45-N47 VanDerWaalsContact C-N 3.33Å; E45-A48 WeakPolarHBondContact O-CB 3.27Å; E45-A48 PolarHBondContact O-N 2.85Å; E45-K76 WeakPolarHBondContact O-CB 3.28Å
46F79.3Confident85.9Confident102 Ų10272.6 Ų72.645%0.44736%0.364SS..Hα-helixtrans-76.5-22.3177.5-71-83.4000113.1R42 G43 K76R42-F46 WeakPolarHBondContact O-CD2 3.3Å; G43-F46 PolarHBondContact O-N 3.4Å; F46-K76 HydrophobicContact CD1-CB 4.43Å
47N79.8Confident86.2Confident97 Ų9774.1 Ų74.152%0.51937%0.366SS..THydrogen-bonded Turntrans-94.72175.3-69.3-44.8000113G43 A44 E45 R77 F171G43-N47 WeakPolarHBondContact O-CB 3.42Å; G43-N47 PolarHBondContact O-N 2.82Å; G43-N47 PolarHBondContact O-ND2 2.83Å; A44-N47 CarbonylContact O-C 3.07Å; A44-N47 PolarHBondContact O-N 2.92Å; E45-N47 VanDerWaalsContact C-N 3.33Å; N47-R77 PolarHBondContact OD1-NH2 3.4Å; N47-F171 VanDerWaalsContact O-CE2 3.32Å; N47-F171 WeakPolarHBondContact O-CE2 3.41Å
48A86.3Confident86.5Confident34 Ų3468.1 Ų68.128%0.28134%0.339SS..SBendtrans-63.4145.3171.400000110.3A44 E45 W75A44-A48 PolarHBondContact O-N 2.93Å; E45-A48 WeakPolarHBondContact O-CB 3.27Å; E45-A48 PolarHBondContact O-N 2.85Å; A48-W75 PolarHBondContact O-NE1 3.34Å
49P89.2Confident86.9Confident55 Ų5569.6 Ų69.636%0.35735%0.346SS..PPolyproline II helixtrans-64.7156176.528.4-34.8000111.1E51 Q166 F171P49-E51 PolarHBondContact O-N 3.21Å; P49-Q166 HydrophobicContact CB-CG 4.18Å; P49-F171 HydrophobicContact CB-CD1 4.31Å; P49-F171 HydrophobicContact CB-CE1 3.9Å; P49-F171 HydrophobicContact CB-CE2 4.26Å; P49-F171 HydrophobicContact CB-CZ 3.87Å
50P91.5Very high87.3Confident9 Ų966.5 Ų66.56%0.05833%0.331CS..PPolyproline II helixtrans-59.8135.6168.825.3-34.5000111.1C73 W75 L165 Q166 L169 F171P50-C73 HydrophobicContact CB-CB 4.08Å; P50-W75 HydrophobicContact CB-CB 4.05Å; P50-W75 HydrophobicContact CB-CD2 4.13Å; P50-W75 HydrophobicContact CB-CG 3.9Å; P50-L165 HydrophobicContact CB-CD2 4.12Å; P50-L165 HydrophobicContact CG-CD2 3.77Å; P50-Q166 HydrophobicContact CG-CG 4.06Å; P50-L169 HydrophobicContact CB-CD1 3.62Å; P50-L169 HydrophobicContact CG-CD1 3.67Å; P50-F171 HydrophobicContact CG-CB 4.49Å
51E90.7Very high87.8Confident131 Ų13164 Ų6461%0.61232%0.32SS*.EExtended strand (participates in β ladder)trans-105.4129.2178.6-66.8179.617800110.4P49 H53 C73 S74P49-E51 PolarHBondContact O-N 3.21Å; E51-H53 PolarHBondContact O-N 3.27Å; E51-C73 CarbonylContact O-C 3.57Å; E51-C73 WeakPolarHBondContact O-CA 3.39Å; E51-S74 PolarHBondContact N-O 3.47Å; E51-S74 PolarHBondContact O-N 3.01Å
52L90.3Very high88.1Confident49 Ų4961.7 Ų61.726%0.25731%0.312SS..EExtended strand (participates in β ladder)trans-64.7131.6177.8-176.972.2000111.5N71 R156 P158 L165L52-N71 HydrophobicContact CD1-CB 3.7Å; L52-R156 WeakPolarHBondContact CD2-O 3.43Å; L52-P158 HydrophobicContact CD1-CB 4.49Å; L52-P158 HydrophobicContact CD2-CB 3.86Å; L52-P158 VanDerWaalsContact CD2-CD 3.44Å; L52-P158 HydrophobicContact CD2-CG 4.14Å; L52-L165 HydrophobicContact CB-CD1 4.44Å; L52-L165 HydrophobicContact CD1-CD1 4.07Å
53H90.1Very high88.3Confident40 Ų4059.9 Ų59.919%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-102.2-54.9172.9179.1-85.4000112.2E51 I72 L118E51-H53 PolarHBondContact O-N 3.27Å; H53-I72 WeakPolarHBondContact CA-O 3.28Å; H53-I72 WeakPolarHBondContact CB-O 3.41Å; H53-I72 PolarHBondContact N-O 2.79Å; H53-L118 HydrophobicContact CB-CD1 4.03Å
54S89.8Confident88.6Confident8 Ų865 Ų656%0.05634%0.335CS..EExtended strand (participates in β ladder)trans-155.1161.6-178.649.60000111.6I72 Y132S54-I72 PolarHBondContact N-O 3.13Å; S54-I72 PolarHBondContact O-N 3.2Å; S54-Y132 WeakPolarHBondContact OG-CE1 3.44Å; S54-Y132 PolarHBondContact OG-OH 3.38Å
55C91.1Very high89Confident2 Ų266.9 Ų66.91%0.01434%0.342CS..EExtended strand (participates in β ladder)trans-123.6125.6175.5-175.80000110.1I70 N71 V153 V154C55-I70 WeakPolarHBondContact CA-O 3.29Å; C55-N71 PolarHBondContact SG-OD1 3.32Å; C55-V153 CarbonylContact O-C 3.59Å; C55-V153 WeakPolarHBondContact O-CA 3.35Å; C55-V154 PolarHBondContact O-N 3.46Å
56V92.1Very high89.6Confident1 Ų162 Ų621%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-103.5135.3176.6178.50000109Y69 I70 I72 Y132 L136 Y151V56-Y69 CarbonylContact O-C 3.46Å; V56-Y69 WeakPolarHBondContact O-CA 3.49Å; V56-I70 PolarHBondContact N-O 3.45Å; V56-I70 PolarHBondContact O-N 3.19Å; V56-I72 HydrophobicContact CG2-CD1 3.85Å; V56-Y132 HydrophobicContact CG2-CD1 3.62Å; V56-Y132 HydrophobicContact CG2-CD2 4.36Å; V56-Y132 HydrophobicContact CG2-CE1 4.06Å; V56-Y132 HydrophobicContact CG2-CG 3.78Å; V56-L136 HydrophobicContact CG1-CD2 4.48Å; V56-Y151 HydrophobicContact CG1-CD2 3.63Å; V56-Y151 HydrophobicContact CG1-CG 3.91Å
57R93.1Very high90.3Very high91 Ų9159.6 Ų59.634%0.34332%0.317SS..EExtended strand (participates in β ladder)trans-118132.5174179.9-16864.7174-0.8110.1L67 L68 Y69 Y151 S152 V154R57-L67 HydrophobicContact CG-CD2 4.48Å; R57-L68 CarbonylContact C-O 3.55Å; R57-L68 VanDerWaalsContact CA-O 3.26Å; R57-L68 WeakPolarHBondContact CA-O 3.32Å; R57-Y69 HydrophobicContact CB-CD1 4.02Å; R57-Y69 HydrophobicContact CB-CE1 3.99Å; R57-Y69 HydrophobicContact CG-CD1 4.14Å; R57-Y69 HydrophobicContact CG-CE1 3.79Å; R57-Y151 CarbonylContact O-C 3.56Å; R57-Y151 VanDerWaalsContact O-CA 3.32Å; R57-Y151 WeakPolarHBondContact O-CA 3.44Å; R57-S152 PolarHBondContact N-O 3.05Å; R57-S152 PolarHBondContact NE-OG 3.2Å; R57-S152 PolarHBondContact NH2-OG 2.89Å; R57-S152 PolarHBondContact O-N 2.88Å; R57-S152 PolarHBondContact O-OG 3.23Å; R57-V154 HydrophobicContact CB-CB 4.46Å; R57-V154 HydrophobicContact CB-CG2 3.24Å; R57-V154 HydrophobicContact CG-CG2 4.21Å
58T94.1Very high90.9Very high6 Ų655 Ų554%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-139.6178.2171.6-171.60000110.4L68 L136 L147 S148 E150T58-L68 HydrophobicContact CG2-CB 4.04Å; T58-L68 HydrophobicContact CG2-CD2 4.33Å; T58-L68 PolarHBondContact N-O 2.88Å; T58-L68 PolarHBondContact O-N 3.19Å; T58-L136 HydrophobicContact CG2-CD2 3.54Å; T58-L147 HydrophobicContact CG2-CB 4.22Å; T58-L147 HydrophobicContact CG2-CD1 4.11Å; T58-L147 HydrophobicContact CG2-CD2 4.03Å; T58-L147 HydrophobicContact CG2-CG 4.35Å; T58-S148 PolarHBondContact OG1-O 2.75Å; T58-E150 PolarHBondContact OG1-O 2.83Å
59Q94.2Very high91.3Very high112 Ų11254.4 Ų54.452%0.52328%0.283SS..EExtended strand (participates in β ladder)trans-98136.8172.7-65.5178.214.500110.2G66 L67 L147 S148Q59-G66 CarbonylContact C-O 3.59Å; Q59-G66 WeakPolarHBondContact CA-O 3.32Å; Q59-L67 HydrophobicContact CG-CD2 4.09Å; Q59-L147 CarbonylContact O-C 3.53Å; Q59-L147 WeakPolarHBondContact O-CA 3.41Å; Q59-S148 PolarHBondContact O-N 2.74Å
60I94.1Very high91.5Very high9 Ų951.8 Ų51.85%0.04627%0.266CS..EExtended strand (participates in β ladder)trans-81.7125163.9-53.1175.7000106.5E62 K64 P65 G66 L68 A107 M145 L147I60-E62 VanDerWaalsContact CG2-O 3.28Å; I60-E62 WeakPolarHBondContact CG2-O 3.47Å; I60-K64 WeakPolarHBondContact CG2-O 3.45Å; I60-P65 VanDerWaalsContact O-CA 3.32Å; I60-P65 WeakPolarHBondContact O-CA 3.28Å; I60-G66 PolarHBondContact N-O 2.82Å; I60-G66 PolarHBondContact O-N 2.85Å; I60-L68 HydrophobicContact CD1-CB 4.06Å; I60-L68 HydrophobicContact CG1-CB 3.74Å; I60-A107 HydrophobicContact CD1-CB 4.07Å; I60-M145 HydrophobicContact CD1-SD 4.35Å; I60-M145 HydrophobicContact CG1-SD 4.35Å; I60-M145 HydrophobicContact CG2-CB 4.46Å; I60-L147 HydrophobicContact CB-CD2 4.37Å; I60-L147 HydrophobicContact CG1-CD2 3.9Å
61L92.9Very high91.6Very high88 Ų8851.4 Ų51.446%0.46126%0.263SS..EExtended strand (participates in β ladder)trans-90.3-45.2175.9-56.3178.5000110.3S146L61-S146 PolarHBondContact N-O 2.86Å
62E90.7Very high91.8Very high123 Ų12345.1 Ų45.158%0.57523%0.234SC*.EExtended strand (participates in β ladder)trans-140.3151.7-179.9-64.9-179.2166.200110.5I60 M145 S146I60-E62 VanDerWaalsContact CG2-O 3.28Å; I60-E62 WeakPolarHBondContact CG2-O 3.47Å; E62-M145 WeakPolarHBondContact O-CA 3.49Å; E62-M145 WeakPolarHBondContact O-CB 3.3Å; E62-S146 PolarHBondContact N-O 2.92Å; E62-S146 PolarHBondContact O-N 3.18Å
63P85.9Confident91.9Very high101 Ų10142.8 Ų42.866%0.65622%0.222SC*.SBendcis-81.9-20.23.131.4-36000114.2
64K86.2Confident92Very high127 Ų12741.8 Ų41.855%0.55222%0.219SC*.SBendtrans-128.2120.2178.4-172.8178.1-179.7-175.80109.3I60 G66 C105I60-K64 WeakPolarHBondContact CG2-O 3.45Å; K64-G66 PolarHBondContact O-N 3.16Å; K64-C105 PolarHBondContact NZ-SG 2.85Å
65P90.1Very high92.1Very high97 Ų9742 Ų4263%0.6322%0.218SC*.  trans-56.3137.4177.5-27.435.1000112.3I60I60-P65 VanDerWaalsContact O-CA 3.32Å; I60-P65 WeakPolarHBondContact O-CA 3.28Å
66G91.2Very high92.1Very high21 Ų2145.9 Ų45.922%0.21624%0.235CC..EExtended strand (participates in β ladder)trans176.4-176.9-178.400000112.1Q59 I60 K64 C105Q59-G66 CarbonylContact C-O 3.59Å; Q59-G66 WeakPolarHBondContact CA-O 3.32Å; I60-G66 PolarHBondContact N-O 2.82Å; I60-G66 PolarHBondContact O-N 2.85Å; K64-G66 PolarHBondContact O-N 3.16Å; G66-C105 VanDerWaalsContact CA-O 3.3Å; G66-C105 WeakPolarHBondContact CA-O 3.17Å
67L92.4Very high91.9Very high51 Ų5151.4 Ų51.427%0.26726%0.256SS..EExtended strand (participates in β ladder)trans-95.3139.2173.7-67.2173.3000110.5R57 Q59 Y69 C105 F106 A107R57-L67 HydrophobicContact CG-CD2 4.48Å; Q59-L67 HydrophobicContact CG-CD2 4.09Å; L67-Y69 HydrophobicContact CB-CE2 3.99Å; L67-Y69 HydrophobicContact CD1-CE2 4.44Å; L67-C105 PolarHBondContact N-O 3.45Å; L67-F106 HydrophobicContact CB-CB 3.98Å; L67-F106 CarbonylContact O-C 3.59Å; L67-F106 WeakPolarHBondContact O-CA 3.49Å; L67-A107 PolarHBondContact O-N 3Å
68L93.8Very high91.8Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-109.9130.2167.1177.864000109.2R57 T58 I60 I70 L95 A107 L109 A139 M145 L147R57-L68 CarbonylContact C-O 3.55Å; R57-L68 VanDerWaalsContact CA-O 3.26Å; R57-L68 WeakPolarHBondContact CA-O 3.32Å; T58-L68 HydrophobicContact CG2-CB 4.04Å; T58-L68 HydrophobicContact CG2-CD2 4.33Å; T58-L68 PolarHBondContact N-O 2.88Å; T58-L68 PolarHBondContact O-N 3.19Å; I60-L68 HydrophobicContact CD1-CB 4.06Å; I60-L68 HydrophobicContact CG1-CB 3.74Å; L68-I70 HydrophobicContact CD1-CG1 4.4Å; L68-I70 HydrophobicContact CD2-CD1 3.8Å; L68-I70 HydrophobicContact CD2-CG1 3.79Å; L68-I70 HydrophobicContact CG-CD1 4.39Å; L68-I70 HydrophobicContact CG-CG1 3.82Å; L68-L95 HydrophobicContact CD1-CD1 3.95Å; L68-A107 HydrophobicContact CD1-CB 3.94Å; L68-L109 HydrophobicContact CD1-CB 4.28Å; L68-A139 HydrophobicContact CD2-CB 4.11Å; L68-M145 HydrophobicContact CD2-SD 3.93Å; L68-L147 HydrophobicContact CB-CD2 4.37Å; L68-L147 HydrophobicContact CD2-CD1 3.72Å; L68-L147 HydrophobicContact CD2-CD2 3.72Å; L68-L147 HydrophobicContact CD2-CG 4.39Å
69Y93.4Very high91.5Very high21 Ų2150.9 Ų50.98%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-108.2125.8167.1-65.7-93.8000108.8V56 R57 L67 F106 A107 V108 L109 K159V56-Y69 CarbonylContact O-C 3.46Å; V56-Y69 WeakPolarHBondContact O-CA 3.49Å; R57-Y69 HydrophobicContact CB-CD1 4.02Å; R57-Y69 HydrophobicContact CB-CE1 3.99Å; R57-Y69 HydrophobicContact CG-CD1 4.14Å; R57-Y69 HydrophobicContact CG-CE1 3.79Å; L67-Y69 HydrophobicContact CB-CE2 3.99Å; L67-Y69 HydrophobicContact CD1-CE2 4.44Å; Y69-F106 HydrophobicContact CD2-CB 4.32Å; Y69-F106 HydrophobicContact CD2-CD2 4.03Å; Y69-F106 HydrophobicContact CE2-CB 4.07Å; Y69-F106 HydrophobicContact CE2-CD2 4.17Å; Y69-F106 HydrophobicContact CE2-CG 4.3Å; Y69-A107 PolarHBondContact N-O 3.48Å; Y69-V108 CarbonylContact O-C 3.58Å; Y69-V108 WeakPolarHBondContact O-CA 3.28Å; Y69-L109 PolarHBondContact O-N 3.26Å; Y69-K159 HydrophobicContact CD1-CB 3.93Å; Y69-K159 HydrophobicContact CD1-CD 4.43Å; Y69-K159 HydrophobicContact CD1-CG 3.91Å; Y69-K159 HydrophobicContact CD2-CG 3.94Å; Y69-K159 HydrophobicContact CE1-CD 4.33Å; Y69-K159 HydrophobicContact CE1-CG 4.28Å; Y69-K159 HydrophobicContact CE2-CG 4.33Å; Y69-K159 HydrophobicContact CG-CB 3.93Å; Y69-K159 HydrophobicContact CG-CG 3.72Å
70I94.4Very high91.3Very high1 Ų148.6 Ų48.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-113.4110.3174.2-49.8-177.2000108.4C55 V56 L68 I72 L109 V111 A135 L136 A139C55-I70 WeakPolarHBondContact CA-O 3.29Å; V56-I70 PolarHBondContact N-O 3.45Å; V56-I70 PolarHBondContact O-N 3.19Å; L68-I70 HydrophobicContact CD1-CG1 4.4Å; L68-I70 HydrophobicContact CD2-CD1 3.8Å; L68-I70 HydrophobicContact CD2-CG1 3.79Å; L68-I70 HydrophobicContact CG-CD1 4.39Å; L68-I70 HydrophobicContact CG-CG1 3.82Å; I70-I72 HydrophobicContact CG2-CG1 4.48Å; I70-L109 CarbonylContact C-O 3.52Å; I70-L109 VanDerWaalsContact CA-O 3.22Å; I70-L109 WeakPolarHBondContact CA-O 3.3Å; I70-L109 HydrophobicContact CG1-CB 4.44Å; I70-V111 HydrophobicContact CG2-CB 4.25Å; I70-V111 HydrophobicContact CG2-CG2 3.73Å; I70-A135 HydrophobicContact CG2-CB 4.25Å; I70-L136 HydrophobicContact CD1-CD2 3.89Å; I70-L136 HydrophobicContact CD1-CG 4.48Å; I70-A139 HydrophobicContact CD1-CB 3.94Å
71N93.9Very high90.8Very high0 Ų050 Ų500%027%0.269CS..EExtended strand (participates in β ladder)trans-84.1120.1172.2-59.8-47000109.1L52 C55 L109 D110 V111 K159 L165L52-N71 HydrophobicContact CD1-CB 3.7Å; C55-N71 PolarHBondContact SG-OD1 3.32Å; N71-L109 PolarHBondContact N-O 3.14Å; N71-D110 WeakPolarHBondContact CB-OD1 3.36Å; N71-D110 PolarHBondContact ND2-OD1 2.82Å; N71-D110 CarbonylContact O-C 3.57Å; N71-D110 WeakPolarHBondContact O-CA 3.38Å; N71-V111 PolarHBondContact O-N 3.42Å; N71-K159 PolarHBondContact ND2-O 3.24Å; N71-K159 PolarHBondContact OD1-N 3.16Å; N71-L165 HydrophobicContact CB-CD1 4.15Å
72I93.2Very high90.1Very high0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-97.7125178.9-61.3166.4000108.3H53 S54 V56 I70 V111 L113 L118 I131 Y132 A135H53-I72 WeakPolarHBondContact CA-O 3.28Å; H53-I72 WeakPolarHBondContact CB-O 3.41Å; H53-I72 PolarHBondContact N-O 2.79Å; S54-I72 PolarHBondContact N-O 3.13Å; S54-I72 PolarHBondContact O-N 3.2Å; V56-I72 HydrophobicContact CG2-CD1 3.85Å; I70-I72 HydrophobicContact CG2-CG1 4.48Å; I72-V111 CarbonylContact C-O 3.59Å; I72-V111 WeakPolarHBondContact CA-O 3.5Å; I72-L113 HydrophobicContact CG2-CD1 4.15Å; I72-L118 HydrophobicContact CG2-CD2 4.29Å; I72-I131 HydrophobicContact CG2-CG2 4.44Å; I72-Y132 HydrophobicContact CD1-CD1 3.3Å; I72-Y132 HydrophobicContact CD1-CE1 3.54Å; I72-A135 HydrophobicContact CD1-CB 4.38Å; I72-A135 HydrophobicContact CG1-CB 4.47Å
73C92.6Very high89.5Confident0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-121.3148.2-170.7-52.90000111.6P50 E51 V111 A112 L113 L169P50-C73 HydrophobicContact CB-CB 4.08Å; E51-C73 CarbonylContact O-C 3.57Å; E51-C73 WeakPolarHBondContact O-CA 3.39Å; C73-V111 PolarHBondContact N-O 3.48Å; C73-A112 HydrophobicContact CB-CB 4.26Å; C73-A112 WeakPolarHBondContact O-CA 3.44Å; C73-L113 PolarHBondContact O-N 2.89Å; C73-L169 HydrophobicContact CB-CD1 4.19Å
74S92.4Very high88.6Confident19 Ų1958.1 Ų58.113%0.13330%0.299CS..EExtended strand (participates in β ladder)trans-94.1119.5170177.10000108.5E51 P115E51-S74 PolarHBondContact N-O 3.47Å; E51-S74 PolarHBondContact O-N 3.01Å; S74-P115 WeakPolarHBondContact OG-CB 3.34Å; S74-P115 VanDerWaalsContact OG-CG 3.26Å; S74-P115 WeakPolarHBondContact OG-CG 3.29Å
75W92.7Very high87.5Confident11 Ų1157.8 Ų57.84%0.04231%0.313CS..  trans-144.8121-178.7-164.425.1000112.8A48 P50 R77 V78 A112 L113 L169 F171A48-W75 PolarHBondContact O-NE1 3.34Å; P50-W75 HydrophobicContact CB-CB 4.05Å; P50-W75 HydrophobicContact CB-CD2 4.13Å; P50-W75 HydrophobicContact CB-CG 3.9Å; W75-R77 HydrophobicContact CD2-CB 3.85Å; W75-R77 HydrophobicContact CE3-CB 4.39Å; W75-R77 HydrophobicContact CG-CB 4.22Å; W75-R77 HydrophobicContact CH2-CB 4.48Å; W75-R77 HydrophobicContact CZ2-CB 3.91Å; W75-R77 HydrophobicContact CZ2-CG 4.29Å; W75-R77 PolarHBondContact O-N 2.83Å; W75-V78 HydrophobicContact CB-CG2 4.3Å; W75-V78 HydrophobicContact CE3-CG2 4.27Å; W75-V78 PolarHBondContact O-N 2.99Å; W75-V78 VanDerWaalsContact O-N 3.14Å; W75-A112 HydrophobicContact CB-CB 3.92Å; W75-A112 HydrophobicContact CE3-CB 3.87Å; W75-L113 PolarHBondContact N-O 2.77Å; W75-L169 WeakPolarHBondContact CH2-O 3.41Å; W75-L169 HydrophobicContact CZ3-CB 4.07Å; W75-L169 WeakPolarHBondContact CZ3-O 3.31Å; W75-F171 HydrophobicContact CH2-CB 4.43Å; W75-F171 HydrophobicContact CZ2-CB 4.22Å; W75-F171 AromaticContact CZ2-CD2 3.87Å; W75-F171 HydrophobicContact CZ2-CD2 3.87Å
76K90.2Very high86.5Confident85 Ų8555.1 Ų55.137%0.3730%0.296SS..THydrogen-bonded Turntrans-64.8-21.8-177.5-74.9-73.9-173174.20113.8E45 F46 V78 P115E45-K76 WeakPolarHBondContact O-CB 3.28Å; F46-K76 HydrophobicContact CD1-CB 4.43Å; K76-V78 PolarHBondContact O-N 2.87Å; K76-P115 HydrophobicContact CD-CG 3.78Å; K76-P115 HydrophobicContact CG-CG 3.97Å
77R88.5Confident86Confident116 Ų11659.6 Ų59.644%0.43833%0.325SS..THydrogen-bonded Turntrans-67-26.3175.5-168.5175.1-72.9-175.1-8.1112.4N47 W75N47-R77 PolarHBondContact OD1-NH2 3.4Å; W75-R77 HydrophobicContact CD2-CB 3.85Å; W75-R77 HydrophobicContact CE3-CB 4.39Å; W75-R77 HydrophobicContact CG-CB 4.22Å; W75-R77 HydrophobicContact CH2-CB 4.48Å; W75-R77 HydrophobicContact CZ2-CB 3.91Å; W75-R77 HydrophobicContact CZ2-CG 4.29Å; W75-R77 PolarHBondContact O-N 2.83Å
78V90.6Very high85.6Confident7 Ų759.6 Ų59.64%0.04232%0.324CS..SBendtrans-72.6127173.1-176.70000108.5W75 K76 P89 C91 A112 N114W75-V78 HydrophobicContact CB-CG2 4.3Å; W75-V78 HydrophobicContact CE3-CG2 4.27Å; W75-V78 PolarHBondContact O-N 2.99Å; W75-V78 VanDerWaalsContact O-N 3.14Å; K76-V78 PolarHBondContact O-N 2.87Å; V78-P89 HydrophobicContact CG1-CB 4.24Å; V78-C91 HydrophobicContact CG2-CB 3.8Å; V78-A112 HydrophobicContact CG2-CB 3.91Å; V78-N114 WeakPolarHBondContact O-CB 3.44Å; V78-N114 PolarHBondContact O-ND2 2.79Å
79P88.9Confident85.4Confident80 Ų8061.3 Ų61.352%0.51934%0.336SS..PPolyproline II helixtrans-62.8143.6-178.524.8-33.1000111P89P79-P89 HydrophobicContact CG-CB 3.92Å; P79-P89 HydrophobicContact CG-CG 4.34Å
80P88.3Confident85.3Confident63 Ų6362.3 Ų62.341%0.40934%0.342SS..PPolyproline II helixtrans-66.815217329.9-34.2000110.4
81P84.4Confident85.2Confident38 Ų3864.2 Ų64.225%0.24736%0.355CS..PPolyproline II helixtrans-59.4140.7170.726.8-33.8000109.8L88 V117P81-L88 HydrophobicContact CB-CD2 4.16Å; P81-L88 HydrophobicContact CG-CD2 4.3Å; P81-V117 HydrophobicContact CG-CG2 3.93Å
82Q78.6Confident85.1Confident171 Ų17165.7 Ų65.780%0.79937%0.371SS*.SBendtrans-73.1-42.2-178.6-64.3-177.24.300110.6
83D78.1Confident85Confident106 Ų10666 Ų6657%0.56737%0.374SS*.SBendtrans-141.5163-179.7-64.8-59.1000112.1S85 S86D83-S85 PolarHBondContact O-N 2.93Å; D83-S86 PolarHBondContact N-OG 3.29Å; D83-S86 PolarHBondContact O-N 3.24Å; D83-S86 PolarHBondContact O-OG 3.49Å
84Q66.7Low85Confident207 Ų20773.9 Ų73.997%0.96741%0.408SS*.THydrogen-bonded Turntrans-64.7-23.6179.6-64.9-174.632.400113.9
85S63.6Low85Confident119 Ų11974.2 Ų74.283%0.83241%0.408SS*.THydrogen-bonded Turntrans-95.9-4.6178.755.10000113.8D83D83-S85 PolarHBondContact O-N 2.93Å
86S68.7Low84.9Confident41 Ų4177.4 Ų77.429%0.28742%0.423SS..SBendtrans-81.8151.3-179.468.90000111.7D83D83-S86 PolarHBondContact N-OG 3.29Å; D83-S86 PolarHBondContact O-N 3.24Å; D83-S86 PolarHBondContact O-OG 3.49Å
87S80.1Confident84.8Confident116 Ų11680.4 Ų80.481%0.81143%0.432SS*.PPolyproline II helixtrans-56.7138.1173.8-56.40000110.8P89S87-P89 VanDerWaalsContact O-CD 3.3Å; S87-P89 WeakPolarHBondContact O-CD 3.31Å
88L84.8Confident84.5Confident50 Ų5076.4 Ų76.426%0.26242%0.422SS..PPolyproline II helixtrans-74.3120.6-179.1-68.9175.5000110.5P81 L90 V117 L134P81-L88 HydrophobicContact CB-CD2 4.16Å; P81-L88 HydrophobicContact CG-CD2 4.3Å; L88-L90 PolarHBondContact O-N 2.89Å; L88-V117 HydrophobicContact CD1-CG1 4.23Å; L88-V117 HydrophobicContact CD2-CG1 4.14Å; L88-V117 HydrophobicContact CD2-CG2 4.1Å; L88-L134 HydrophobicContact CB-CD2 4.01Å; L88-L134 HydrophobicContact CD1-CD2 4.05Å
89P89.4Confident83.8Confident37 Ų3782 Ų8224%0.2445%0.452CS..PPolyproline II helixtrans-65.4130.3172.9-18.732.5000110.2V78 P79 S87 L113V78-P89 HydrophobicContact CG1-CB 4.24Å; P79-P89 HydrophobicContact CG-CB 3.92Å; P79-P89 HydrophobicContact CG-CG 4.34Å; S87-P89 VanDerWaalsContact O-CD 3.3Å; S87-P89 WeakPolarHBondContact O-CD 3.31Å; P89-L113 WeakPolarHBondContact O-CD2 3.42Å
90L90.6Very high82.4Confident42 Ų4279.6 Ų79.622%0.2244%0.441CS..EExtended strand (participates in β ladder)trans-139.1135-175.7179.5143.6000109L88 V111 L113 L134 F138L88-L90 PolarHBondContact O-N 2.89Å; L90-V111 HydrophobicContact CD1-CG1 3.41Å; L90-V111 VanDerWaalsContact CD1-CG1 3.41Å; L90-V111 HydrophobicContact CD2-CG1 3.67Å; L90-V111 HydrophobicContact CG-CG1 3.43Å; L90-V111 VanDerWaalsContact CG-CG1 3.43Å; L90-L113 HydrophobicContact CB-CD2 4.19Å; L90-L113 HydrophobicContact CD1-CD2 4.14Å; L90-L113 HydrophobicContact CD1-CG 4.38Å; L90-L113 HydrophobicContact CG-CD2 4.44Å; L90-L134 HydrophobicContact CD1-CD2 4.03Å; L90-L134 HydrophobicContact CD1-CG 4.07Å; L90-F138 HydrophobicContact CD2-CB 4.09Å; L90-F138 HydrophobicContact CD2-CD1 3.84Å; L90-F138 HydrophobicContact CD2-CD2 3.39Å; L90-F138 HydrophobicContact CD2-CE1 4.14Å; L90-F138 HydrophobicContact CD2-CE2 3.69Å; L90-F138 HydrophobicContact CD2-CG 3.47Å; L90-F138 VanDerWaalsContact CD2-CG 3.47Å; L90-F138 HydrophobicContact CD2-CZ 4.08Å
91C91.9Very high80.8Confident41 Ų4186 Ų8628%0.27747%0.466SS..EExtended strand (participates in β ladder)trans-108.8125.3175.7175.20000108.4V78 V111 A112V78-C91 HydrophobicContact CG2-CB 3.8Å; C91-V111 CarbonylContact O-C 3.53Å; C91-V111 VanDerWaalsContact O-CA 3.31Å; C91-V111 WeakPolarHBondContact O-CA 3.5Å; C91-A112 HydrophobicContact CB-CB 4.28Å; C91-A112 PolarHBondContact N-O 3.49Å; C91-A112 PolarHBondContact O-N 2.97Å
92G93.4Very high79.4Confident31 Ų3192 Ų9232%0.3250%0.496SS..EExtended strand (participates in β ladder)trans-105.7138.7173.300000110.9
93G91.2Very high78.4Confident7 Ų790.5 Ų90.57%0.07249%0.489CS..  trans-85.2-178.8173.800000113.1L109 D110 R168G93-L109 VanDerWaalsContact O-CD1 3.28Å; G93-L109 WeakPolarHBondContact O-CD1 3.38Å; G93-D110 PolarHBondContact N-O 3.45Å; G93-R168 CarbonylContact C-O 3.48Å; G93-R168 WeakPolarHBondContact CA-O 2.93Å
94K91.9Very high78Confident164 Ų16487.5 Ų87.571%0.71348%0.483SS*.  trans-65.3132.4173-173175.4-179176.70110.6E96 R168K94-E96 PolarHBondContact O-N 2.91Å; K94-R168 PolarHBondContact N-O 2.81Å; K94-R168 WeakPolarHBondContact O-CD 3.28Å
95L91.6Very high78.8Confident27 Ų2779.7 Ų79.714%0.14145%0.451CS..  trans-73.3123.6171.4-177.873.9000110.2L68 A107 L109 H143 M145L68-L95 HydrophobicContact CD1-CD1 3.95Å; L95-A107 HydrophobicContact CD1-CB 4.05Å; L95-L109 HydrophobicContact CD1-CB 3.93Å; L95-H143 HydrophobicContact CD2-CB 4.18Å; L95-M145 HydrophobicContact CD1-CE 4.07Å; L95-M145 HydrophobicContact CD2-CE 3.47Å; L95-M145 VanDerWaalsContact CD2-CE 3.47Å; L95-M145 HydrophobicContact CG-CE 4.42Å
96E90.8Very high80Confident77 Ų7775.7 Ų75.736%0.3642%0.418SS..EExtended strand (participates in β ladder)trans-107.9133.7177.2-171.4175.8174.800110.4K94 A107 V108 R168K94-E96 PolarHBondContact O-N 2.91Å; E96-A107 CarbonylContact O-C 3.58Å; E96-A107 WeakPolarHBondContact O-CA 3.3Å; E96-A107 WeakPolarHBondContact O-CB 3.49Å; E96-V108 PolarHBondContact N-O 3.33Å; E96-V108 PolarHBondContact O-N 2.93Å; E96-R168 WeakPolarHBondContact OE2-CD 3.19Å; E96-R168 IonicContact OE2-CZ 3.9Å; E96-R168 IonicContact OE2-NE 2.83Å; E96-R168 IonicContact OE2-NH1 3.7Å; E96-R168 PolarHBondContact OE2-NH1 3.13Å
97R88.9Confident81.1Confident148 Ų14873.8 Ų73.856%0.55841%0.406SS*.EExtended strand (participates in β ladder)trans-109.4123.9175.8-59.9-175.3-154.7-87.40.5108.9A107R97-A107 HydrophobicContact CG-CB 4.3Å
98C81.5Confident81.7Confident32 Ų3268.4 Ų68.422%0.21637%0.367CS..EExtended strand (participates in β ladder)trans-110.7133178.2-54.50000109.4F106C98-F106 HydrophobicContact CB-CD1 4.06Å; C98-F106 HydrophobicContact CB-CD2 3.98Å; C98-F106 HydrophobicContact CB-CE1 3.57Å; C98-F106 HydrophobicContact CB-CE2 3.47Å; C98-F106 VanDerWaalsContact CB-CE2 3.47Å; C98-F106 HydrophobicContact CB-CG 4.25Å; C98-F106 HydrophobicContact CB-CZ 3.25Å; C98-F106 PolarHBondContact N-O 3.11Å; C98-F106 PolarHBondContact O-N 3.18Å
99N77Confident82.1Confident125 Ų12566 Ų6667%0.66836%0.355SS*.EExtended strand (participates in β ladder)trans-102.2108.7170.3-62.2-29.7000107C105N99-C105 PolarHBondContact OD1-SG 3.33Å
100G58.8Low82.4Confident29 Ų2964.2 Ų64.230%0.29934%0.344SS..EExtended strand (participates in β ladder)trans-86.8131.9169.200000109.4D102 G104G100-D102 PolarHBondContact O-N 3.19Å; G100-G104 PolarHBondContact N-O 3.26Å
101E54.5Low82.6Confident199 Ų19962.2 Ų62.293%0.9333%0.333SS*.THydrogen-bonded Turntrans-58.2-29.1177.4-66.9177.7156.500111.9
102D55.4Low82.7Confident164 Ų16460.3 Ų60.388%0.87732%0.32SS*.THydrogen-bonded Turntrans-117.9-12.4-176.2-67.5-30000116.3G100G100-D102 PolarHBondContact O-N 3.19Å
103Q56.7Low82.7Confident138 Ų13858.9 Ų58.965%0.64531%0.305SS*.THydrogen-bonded Turntrans-113.45.2-172-73.7-177.58.700114.7
104G71.1Confident82.8Confident43 Ų4359.1 Ų59.144%0.44331%0.305SS..EExtended strand (participates in β ladder)trans75.4177.5-173.800000113.2G100 F106G100-G104 PolarHBondContact N-O 3.26Å; G104-F106 PolarHBondContact O-N 3.02Å
105C81.9Confident82.7Confident44 Ų4451.5 Ų51.530%0.29727%0.272SS..EExtended strand (participates in β ladder)trans-71.6127.3176.9-65.70000110K64 G66 L67 N99K64-C105 PolarHBondContact NZ-SG 2.85Å; G66-C105 VanDerWaalsContact CA-O 3.3Å; G66-C105 WeakPolarHBondContact CA-O 3.17Å; L67-C105 PolarHBondContact N-O 3.45Å; N99-C105 PolarHBondContact OD1-SG 3.33Å
106F89.4Confident82.6Confident34 Ų3451.8 Ų51.815%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-129158.3169.669.8-87.6000111.1L67 Y69 C98 G104 V108 K159L67-F106 HydrophobicContact CB-CB 3.98Å; L67-F106 CarbonylContact O-C 3.59Å; L67-F106 WeakPolarHBondContact O-CA 3.49Å; Y69-F106 HydrophobicContact CD2-CB 4.32Å; Y69-F106 HydrophobicContact CD2-CD2 4.03Å; Y69-F106 HydrophobicContact CE2-CB 4.07Å; Y69-F106 HydrophobicContact CE2-CD2 4.17Å; Y69-F106 HydrophobicContact CE2-CG 4.3Å; C98-F106 HydrophobicContact CB-CD1 4.06Å; C98-F106 HydrophobicContact CB-CD2 3.98Å; C98-F106 HydrophobicContact CB-CE1 3.57Å; C98-F106 HydrophobicContact CB-CE2 3.47Å; C98-F106 VanDerWaalsContact CB-CE2 3.47Å; C98-F106 HydrophobicContact CB-CG 4.25Å; C98-F106 HydrophobicContact CB-CZ 3.25Å; C98-F106 PolarHBondContact N-O 3.11Å; C98-F106 PolarHBondContact O-N 3.18Å; G104-F106 PolarHBondContact O-N 3.02Å; F106-V108 HydrophobicContact CD2-CG2 3.97Å; F106-V108 HydrophobicContact CE2-CG2 3.84Å; F106-K159 HydrophobicContact CE2-CG 4.39Å
107A91.7Very high82.5Confident2 Ų248.5 Ų48.52%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-123.6150.317500000110.2I60 L67 L68 Y69 L95 E96 R97I60-A107 HydrophobicContact CD1-CB 4.07Å; L67-A107 PolarHBondContact O-N 3Å; L68-A107 HydrophobicContact CD1-CB 3.94Å; Y69-A107 PolarHBondContact N-O 3.48Å; L95-A107 HydrophobicContact CD1-CB 4.05Å; E96-A107 CarbonylContact O-C 3.58Å; E96-A107 WeakPolarHBondContact O-CA 3.3Å; E96-A107 WeakPolarHBondContact O-CB 3.49Å; R97-A107 HydrophobicContact CG-CB 4.3Å
108V92.8Very high82.3Confident2 Ų241.5 Ų41.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-123.4130.5176.6-175.20000108.4Y69 E96 F106 K159Y69-V108 CarbonylContact O-C 3.58Å; Y69-V108 WeakPolarHBondContact O-CA 3.28Å; E96-V108 PolarHBondContact N-O 3.33Å; E96-V108 PolarHBondContact O-N 2.93Å; F106-V108 HydrophobicContact CD2-CG2 3.97Å; F106-V108 HydrophobicContact CE2-CG2 3.84Å; V108-K159 WeakPolarHBondContact CG1-O 3.41Å; V108-K159 HydrophobicContact CG2-CG 4.15Å
109L93.9Very high82Confident0 Ų045.7 Ų45.70%025%0.252CS..EExtended strand (participates in β ladder)trans-126.1137.8172.8178.963.5000108.2L68 Y69 I70 N71 G93 L95 V111 F138 A139 H143L68-L109 HydrophobicContact CD1-CB 4.28Å; Y69-L109 PolarHBondContact O-N 3.26Å; I70-L109 CarbonylContact C-O 3.52Å; I70-L109 VanDerWaalsContact CA-O 3.22Å; I70-L109 WeakPolarHBondContact CA-O 3.3Å; I70-L109 HydrophobicContact CG1-CB 4.44Å; N71-L109 PolarHBondContact N-O 3.14Å; G93-L109 VanDerWaalsContact O-CD1 3.28Å; G93-L109 WeakPolarHBondContact O-CD1 3.38Å; L95-L109 HydrophobicContact CD1-CB 3.93Å; L109-V111 HydrophobicContact CD2-CG2 4.13Å; L109-V111 HydrophobicContact CG-CG2 4.15Å; L109-F138 HydrophobicContact CD2-CD1 4.28Å; L109-F138 HydrophobicContact CD2-CE1 4.25Å; L109-A139 HydrophobicContact CD2-CB 3.62Å; L109-H143 WeakPolarHBondContact CD1-NE2 3.26Å
110D94.6Very high81.3Confident0 Ų047.8 Ų47.80%026%0.255CS..EExtended strand (participates in β ladder)trans-107.6140.3169.4-53.2-50.9000109.9N71 G93 L165 R168 L169N71-D110 WeakPolarHBondContact CB-OD1 3.36Å; N71-D110 PolarHBondContact ND2-OD1 2.82Å; N71-D110 CarbonylContact O-C 3.57Å; N71-D110 WeakPolarHBondContact O-CA 3.38Å; G93-D110 PolarHBondContact N-O 3.45Å; D110-L165 HydrophobicContact CB-CG 4.43Å; D110-L165 VanDerWaalsContact OD2-CA 3.28Å; D110-L165 WeakPolarHBondContact OD2-CA 3.41Å; D110-R168 IonicContact OD1-CZ 3.99Å; D110-R168 IonicContact OD1-NE 3.71Å; D110-R168 IonicContact OD1-NH2 3.76Å; D110-R168 PolarHBondContact OD1-NH2 2.67Å; D110-R168 VanDerWaalsContact OD2-CB 3.26Å; D110-R168 WeakPolarHBondContact OD2-CB 3.38Å; D110-R168 IonicContact OD2-CZ 3.29Å; D110-R168 IonicContact OD2-NE 2.74Å; D110-R168 PolarHBondContact OD2-NE 2.97Å; D110-R168 IonicContact OD2-NH2 3.18Å; D110-R168 PolarHBondContact OD2-NH2 3.3Å; D110-L169 HydrophobicContact CB-CD1 4.12Å; D110-L169 HydrophobicContact CB-CD2 4.02Å; D110-L169 HydrophobicContact CB-CG 3.79Å
111V95.2Very high81.3Confident0 Ų049.1 Ų49.10%025%0.251CS..EExtended strand (participates in β ladder)trans-132131179.71730000108I70 N71 I72 C73 L90 C91 L109 F138I70-V111 HydrophobicContact CG2-CB 4.25Å; I70-V111 HydrophobicContact CG2-CG2 3.73Å; N71-V111 PolarHBondContact O-N 3.42Å; I72-V111 CarbonylContact C-O 3.59Å; I72-V111 WeakPolarHBondContact CA-O 3.5Å; C73-V111 PolarHBondContact N-O 3.48Å; L90-V111 HydrophobicContact CD1-CG1 3.41Å; L90-V111 VanDerWaalsContact CD1-CG1 3.41Å; L90-V111 HydrophobicContact CD2-CG1 3.67Å; L90-V111 HydrophobicContact CG-CG1 3.43Å; L90-V111 VanDerWaalsContact CG-CG1 3.43Å; C91-V111 CarbonylContact O-C 3.53Å; C91-V111 VanDerWaalsContact O-CA 3.31Å; C91-V111 WeakPolarHBondContact O-CA 3.5Å; L109-V111 HydrophobicContact CD2-CG2 4.13Å; L109-V111 HydrophobicContact CG-CG2 4.15Å; V111-F138 HydrophobicContact CG2-CD1 4.07Å; V111-F138 HydrophobicContact CG2-CE1 4.26Å
112A94.8Very high81.3Confident0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-115.3140.3178.800000112.1C73 W75 V78 C91 L169C73-A112 HydrophobicContact CB-CB 4.26Å; C73-A112 WeakPolarHBondContact O-CA 3.44Å; W75-A112 HydrophobicContact CB-CB 3.92Å; W75-A112 HydrophobicContact CE3-CB 3.87Å; V78-A112 HydrophobicContact CG2-CB 3.91Å; C91-A112 HydrophobicContact CB-CB 4.28Å; C91-A112 PolarHBondContact N-O 3.49Å; C91-A112 PolarHBondContact O-N 2.97Å; A112-L169 HydrophobicContact CB-CD1 4.01Å; A112-L169 HydrophobicContact CB-CD2 3.98Å
113L93.5Very high81.3Confident1 Ų147.2 Ų47.21%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-127.9156.2176.9-74.7152.8000109.5I72 C73 W75 P89 L90 V117 L118 I131I72-L113 HydrophobicContact CG2-CD1 4.15Å; C73-L113 PolarHBondContact O-N 2.89Å; W75-L113 PolarHBondContact N-O 2.77Å; P89-L113 WeakPolarHBondContact O-CD2 3.42Å; L90-L113 HydrophobicContact CB-CD2 4.19Å; L90-L113 HydrophobicContact CD1-CD2 4.14Å; L90-L113 HydrophobicContact CD1-CG 4.38Å; L90-L113 HydrophobicContact CG-CD2 4.44Å; L113-V117 HydrophobicContact CD2-CG1 4.49Å; L113-L118 HydrophobicContact CB-CD1 4.3Å; L113-L118 HydrophobicContact CB-CD2 4.42Å; L113-L118 HydrophobicContact CB-CG 4.23Å; L113-L118 HydrophobicContact CD1-CD2 3.95Å; L113-I131 HydrophobicContact CD1-CG2 3.54Å
114N92.3Very high81.6Confident12 Ų1244.2 Ų44.26%0.06422%0.223CC..  trans-63138.6172.9-173.2-84.4000110.2V78 S116 V117V78-N114 WeakPolarHBondContact O-CB 3.44Å; V78-N114 PolarHBondContact O-ND2 2.79Å; N114-S116 PolarHBondContact O-N 3.47Å; N114-S116 VanDerWaalsContact OD1-CB 3.27Å; N114-S116 WeakPolarHBondContact OD1-CB 3.45Å; N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 3.21Å; N114-V117 HydrophobicContact CB-CG2 4.44Å; N114-V117 WeakPolarHBondContact O-CB 3.3Å; N114-V117 PolarHBondContact O-N 3.09Å
115P91.1Very high81.3Confident5 Ų550.5 Ų50.53%0.03224%0.238CC..Hα-helixtrans-55.6-30.1-179-24.130000113.9S74 K76 V117 L118 Q119S74-P115 WeakPolarHBondContact OG-CB 3.34Å; S74-P115 VanDerWaalsContact OG-CG 3.26Å; S74-P115 WeakPolarHBondContact OG-CG 3.29Å; K76-P115 HydrophobicContact CD-CG 3.78Å; K76-P115 HydrophobicContact CG-CG 3.97Å; P115-V117 PolarHBondContact O-N 2.89Å; P115-L118 PolarHBondContact O-N 2.84Å; P115-Q119 VanDerWaalsContact O-CB 3.31Å; P115-Q119 WeakPolarHBondContact O-CB 3.45Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.42Å; P115-Q119 PolarHBondContact O-N 3.49Å
116S88.6Confident80.3Confident33 Ų3352.9 Ų52.923%0.23125%0.251CS..Hα-helixtrans-62.7-25.4178.164.30000113.7N114 K120N114-S116 PolarHBondContact O-N 3.47Å; N114-S116 VanDerWaalsContact OD1-CB 3.27Å; N114-S116 WeakPolarHBondContact OD1-CB 3.45Å; N114-S116 PolarHBondContact OD1-N 2.98Å; N114-S116 PolarHBondContact OD1-OG 3.21Å; S116-K120 WeakPolarHBondContact O-CG 3.48Å
117V87.7Confident79.8Confident7 Ų753.6 Ų53.64%0.04226%0.256CS..Hα-helixtrans-76.9-40.8176-179.10000110.4P81 L88 L113 N114 P115 R121 I131P81-V117 HydrophobicContact CG-CG2 3.93Å; L88-V117 HydrophobicContact CD1-CG1 4.23Å; L88-V117 HydrophobicContact CD2-CG1 4.14Å; L88-V117 HydrophobicContact CD2-CG2 4.1Å; L113-V117 HydrophobicContact CD2-CG1 4.49Å; N114-V117 HydrophobicContact CB-CG2 4.44Å; N114-V117 WeakPolarHBondContact O-CB 3.3Å; N114-V117 PolarHBondContact O-N 3.09Å; P115-V117 PolarHBondContact O-N 2.89Å; V117-R121 WeakPolarHBondContact O-CD 3.32Å; V117-R121 WeakPolarHBondContact O-CG 3.43Å; V117-I131 HydrophobicContact CG1-CD1 4.09Å
118L85.2Confident79.5Confident2 Ų254.7 Ų54.71%0.0126%0.262CS..Hα-helixtrans-82.1-28.7-176.7-60177.2000112.8H53 I72 L113 P115 I131H53-L118 HydrophobicContact CB-CD1 4.03Å; I72-L118 HydrophobicContact CG2-CD2 4.29Å; L113-L118 HydrophobicContact CB-CD1 4.3Å; L113-L118 HydrophobicContact CB-CD2 4.42Å; L113-L118 HydrophobicContact CB-CG 4.23Å; L113-L118 HydrophobicContact CD1-CD2 3.95Å; P115-L118 PolarHBondContact O-N 2.84Å; L118-I131 HydrophobicContact CD2-CD1 4.05Å; L118-I131 HydrophobicContact CD2-CG2 4.37Å
119Q76.5Confident79.2Confident120 Ų12058 Ų5856%0.56128%0.279SS*.Hα-helixtrans-79.1-44.7-178.3-731753.900113.1P115 R121 K122P115-Q119 VanDerWaalsContact O-CB 3.31Å; P115-Q119 WeakPolarHBondContact O-CB 3.45Å; P115-Q119 VanDerWaalsContact O-CG 3.23Å; P115-Q119 WeakPolarHBondContact O-CG 3.42Å; P115-Q119 PolarHBondContact O-N 3.49Å; Q119-R121 PolarHBondContact O-N 2.82Å; Q119-R121 VanDerWaalsContact O-N 3.11Å; Q119-K122 PolarHBondContact O-N 2.77Å
120K60.8Low78.9Confident169 Ų16962.3 Ų62.374%0.73530%0.302SS*.THydrogen-bonded Turntrans-63.7-16.7179.5-74.6179.5177.2179.30113.6S116S116-K120 WeakPolarHBondContact O-CG 3.48Å
121R60Low78.7Confident56 Ų5662.4 Ų62.421%0.21130%0.303CS..THydrogen-bonded Turntrans-111.48.3-169.6-65.1-172.9169.4-175.211.4113.6V117 Q119 E123 D127V117-R121 WeakPolarHBondContact O-CD 3.32Å; V117-R121 WeakPolarHBondContact O-CG 3.43Å; Q119-R121 PolarHBondContact O-N 2.82Å; Q119-R121 VanDerWaalsContact O-N 3.11Å; R121-E123 VanDerWaalsContact C-N 3.29Å; R121-E123 PolarHBondContact O-N 2.75Å; R121-D127 HydrophobicContact CB-CB 3.97Å; R121-D127 HydrophobicContact CG-CB 3.78Å; R121-D127 WeakPolarHBondContact CG-OD2 3.33Å; R121-D127 IonicContact NE-OD1 3.6Å; R121-D127 IonicContact NE-OD2 3.88Å; R121-D127 PolarHBondContact NE-OD2 2.94Å; R121-D127 PolarHBondContact NH1-O 3.48Å
122K54Low78.5Confident142 Ų14263.3 Ų63.362%0.61731%0.306SS*.SBendtrans-69.1-26.9175-84.6-177.3178.7177.80112.8Q119Q119-K122 PolarHBondContact O-N 2.77Å
123E55.4Low78.4Confident182 Ų18267.1 Ų67.185%0.8533%0.325SS*.SBendtrans-82-23.6176.9-89.891-147.500114.2R121R121-E123 VanDerWaalsContact C-N 3.29Å; R121-E123 PolarHBondContact O-N 2.75Å
124D63.4Low78.3Confident75 Ų7570 Ų7040%0.40134%0.34SS..  trans-112.4111.7-175.3-171.2-9.9000112.6V126 D127 I128D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 PolarHBondContact OD1-N 2.77Å; D124-D127 HydrophobicContact CB-CB 4.01Å; D124-D127 PolarHBondContact O-N 3.02Å; D124-I128 PolarHBondContact O-N 2.98Å
125K64Low78.4Confident175 Ų17569.4 Ų69.476%0.76134%0.337SS*.Hα-helixtrans-64-28.6178.9-71.1-176.7178178.50113.2D127 I128 N129K125-D127 VanDerWaalsContact C-N 3.33Å; K125-I128 WeakPolarHBondContact O-CG2 3.32Å; K125-N129 VanDerWaalsContact O-CG 3.3Å; K125-N129 PolarHBondContact O-N 3.17Å; K125-N129 PolarHBondContact O-ND2 2.95Å
126V62.2Low78.5Confident93 Ų9369.5 Ų69.556%0.56434%0.337SS*.Hα-helixtrans-69.6-39.8179.3-179.90000109.7D124 N129 N130D124-V126 VanDerWaalsContact C-N 3.27Å; D124-V126 PolarHBondContact O-N 3.41Å; D124-V126 WeakPolarHBondContact OD1-CB 3.31Å; D124-V126 PolarHBondContact OD1-N 2.77Å; V126-N129 PolarHBondContact O-N 2.71Å; V126-N130 PolarHBondContact O-N 3.42Å; V126-N130 PolarHBondContact O-ND2 3.46Å
127D78.4Confident78.8Confident50 Ų5070 Ų7027%0.26734%0.341SS..Hα-helixtrans-70.9-33.3-175.5-107.24.4000113.8R121 D124 K125R121-D127 HydrophobicContact CB-CB 3.97Å; R121-D127 HydrophobicContact CG-CB 3.78Å; R121-D127 WeakPolarHBondContact CG-OD2 3.33Å; R121-D127 IonicContact NE-OD1 3.6Å; R121-D127 IonicContact NE-OD2 3.88Å; R121-D127 PolarHBondContact NE-OD2 2.94Å; R121-D127 PolarHBondContact NH1-O 3.48Å; D124-D127 HydrophobicContact CB-CB 4.01Å; D124-D127 PolarHBondContact O-N 3.02Å; K125-D127 VanDerWaalsContact C-N 3.33Å
128I84.9Confident79.1Confident25 Ų2571.6 Ų71.613%0.12835%0.347CS..Hα-helixtrans-76.4-33.7174.8-163.164.2000112.4D124 K125 N130 I131 Y132D124-I128 PolarHBondContact O-N 2.98Å; K125-I128 WeakPolarHBondContact O-CG2 3.32Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 2.86Å; I128-I131 HydrophobicContact CD1-CB 4.39Å; I128-I131 HydrophobicContact CD1-CD1 3.8Å; I128-I131 WeakPolarHBondContact O-CB 3.48Å; I128-I131 PolarHBondContact O-N 3.29Å; I128-I131 VanDerWaalsContact O-N 3.07Å; I128-Y132 HydrophobicContact CD1-CE1 4.19Å; I128-Y132 HydrophobicContact CG1-CE1 3.87Å; I128-Y132 HydrophobicContact CG1-CE2 4.09Å; I128-Y132 WeakPolarHBondContact CG1-OH 3.31Å; I128-Y132 HydrophobicContact CG2-CE2 4.44Å; I128-Y132 PolarHBondContact O-N 3.42Å; I128-Y132 VanDerWaalsContact O-N 3.11Å
129N86.8Confident79.5Confident72 Ų7271.5 Ų71.539%0.38535%0.347SS..Hα-helixtrans-63.8-37.6175.3-74-16.2000111.4K125 V126 I131 Y132 M133 Y151K125-N129 VanDerWaalsContact O-CG 3.3Å; K125-N129 PolarHBondContact O-N 3.17Å; K125-N129 PolarHBondContact O-ND2 2.95Å; V126-N129 PolarHBondContact O-N 2.71Å; N129-I131 PolarHBondContact O-N 3.07Å; N129-Y132 WeakPolarHBondContact O-CB 3.4Å; N129-Y132 PolarHBondContact O-N 3.11Å; N129-Y132 VanDerWaalsContact O-N 3.11Å; N129-M133 WeakPolarHBondContact O-CG 3.28Å; N129-M133 PolarHBondContact O-N 3.4Å; N129-Y151 PolarHBondContact OD1-OH 2.83Å
130N87.9Confident80.4Confident90 Ų9069.3 Ų69.348%0.48134%0.337SS..Hα-helixtrans-59.9-35.1173.1-70.5-24.7000112.1V126 I128 L134V126-N130 PolarHBondContact O-N 3.42Å; V126-N130 PolarHBondContact O-ND2 3.46Å; I128-N130 VanDerWaalsContact C-N 3.29Å; I128-N130 PolarHBondContact O-N 2.86Å; N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.26Å; N130-L134 PolarHBondContact O-N 3.4Å
131I89.8Confident81.9Confident1 Ų169 Ų691%0.00534%0.338CS..Hα-helixtrans-67.7-40.5175-68.3161.4000110.9I72 L113 V117 L118 I128 N129 L134 A135I72-I131 HydrophobicContact CG2-CG2 4.44Å; L113-I131 HydrophobicContact CD1-CG2 3.54Å; V117-I131 HydrophobicContact CG1-CD1 4.09Å; L118-I131 HydrophobicContact CD2-CD1 4.05Å; L118-I131 HydrophobicContact CD2-CG2 4.37Å; I128-I131 HydrophobicContact CD1-CB 4.39Å; I128-I131 HydrophobicContact CD1-CD1 3.8Å; I128-I131 WeakPolarHBondContact O-CB 3.48Å; I128-I131 PolarHBondContact O-N 3.29Å; I128-I131 VanDerWaalsContact O-N 3.07Å; N129-I131 PolarHBondContact O-N 3.07Å; I131-L134 PolarHBondContact O-N 3.31Å; I131-A135 WeakPolarHBondContact O-CB 3.08Å; I131-A135 PolarHBondContact O-N 3.36Å
132Y91.7Very high83.4Confident19 Ų1972.3 Ų72.38%0.07536%0.356CS..Hα-helixtrans-63.8-44.8176.3-58.3-22.1000111.5S54 V56 I72 I128 N129 L134 A135 L136 Y151 V153S54-Y132 WeakPolarHBondContact OG-CE1 3.44Å; S54-Y132 PolarHBondContact OG-OH 3.38Å; V56-Y132 HydrophobicContact CG2-CD1 3.62Å; V56-Y132 HydrophobicContact CG2-CD2 4.36Å; V56-Y132 HydrophobicContact CG2-CE1 4.06Å; V56-Y132 HydrophobicContact CG2-CG 3.78Å; I72-Y132 HydrophobicContact CD1-CD1 3.3Å; I72-Y132 HydrophobicContact CD1-CE1 3.54Å; I128-Y132 HydrophobicContact CD1-CE1 4.19Å; I128-Y132 HydrophobicContact CG1-CE1 3.87Å; I128-Y132 HydrophobicContact CG1-CE2 4.09Å; I128-Y132 WeakPolarHBondContact CG1-OH 3.31Å; I128-Y132 HydrophobicContact CG2-CE2 4.44Å; I128-Y132 PolarHBondContact O-N 3.42Å; I128-Y132 VanDerWaalsContact O-N 3.11Å; N129-Y132 WeakPolarHBondContact O-CB 3.4Å; N129-Y132 PolarHBondContact O-N 3.11Å; N129-Y132 VanDerWaalsContact O-N 3.11Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.25Å; Y132-A135 PolarHBondContact O-N 3.44Å; Y132-L136 WeakPolarHBondContact O-CG 3.45Å; Y132-L136 PolarHBondContact O-N 3.16Å; Y132-Y151 AromaticContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CG-CE2 4.16Å; Y132-V153 HydrophobicContact CD2-CG2 4.19Å; Y132-V153 HydrophobicContact CE2-CG2 3.65Å
133M91.5Very high85.2Confident81 Ų8168.2 Ų68.240%0.39934%0.339SS..Hα-helixtrans-63.3-38.4175.3-66.7-53-60.900112.4N129 L136 S137 Y151N129-M133 WeakPolarHBondContact O-CG 3.28Å; N129-M133 PolarHBondContact O-N 3.4Å; M133-L136 PolarHBondContact O-N 2.97Å; M133-L136 HydrophobicContact SD-CD1 4.13Å; M133-S137 WeakPolarHBondContact O-CB 3.12Å; M133-S137 PolarHBondContact O-N 2.91Å; M133-S137 PolarHBondContact O-OG 2.89Å; M133-Y151 HydrophobicContact SD-CD1 4.24Å; M133-Y151 HydrophobicContact SD-CE1 3.65Å
134L92.5Very high86.9Confident60 Ų6062.6 Ų62.631%0.31433%0.329SS..Hα-helixtrans-62.4-46174.1177.564.2000111.2L88 L90 N130 I131 Y132 L136 S137 F138L88-L134 HydrophobicContact CB-CD2 4.01Å; L88-L134 HydrophobicContact CD1-CD2 4.05Å; L90-L134 HydrophobicContact CD1-CD2 4.03Å; L90-L134 HydrophobicContact CD1-CG 4.07Å; N130-L134 VanDerWaalsContact O-CB 3.31Å; N130-L134 WeakPolarHBondContact O-CB 3.26Å; N130-L134 PolarHBondContact O-N 3.4Å; I131-L134 PolarHBondContact O-N 3.31Å; Y132-L134 VanDerWaalsContact C-N 3.32Å; Y132-L134 PolarHBondContact O-N 3.25Å; L134-L136 PolarHBondContact O-N 3.29Å; L134-S137 PolarHBondContact O-N 2.87Å; L134-F138 WeakPolarHBondContact O-CB 3.13Å; L134-F138 PolarHBondContact O-N 3.49Å
135A94.3Very high88.3Confident1 Ų159.4 Ų59.41%0.00831%0.312CS..Hα-helixtrans-64.2-39.5179.300000112.4I70 I72 I131 Y132 A139I70-A135 HydrophobicContact CG2-CB 4.25Å; I72-A135 HydrophobicContact CD1-CB 4.38Å; I72-A135 HydrophobicContact CG1-CB 4.47Å; I131-A135 WeakPolarHBondContact O-CB 3.08Å; I131-A135 PolarHBondContact O-N 3.36Å; Y132-A135 PolarHBondContact O-N 3.44Å; A135-A139 PolarHBondContact O-N 3.43Å
136L94.1Very high89.7Confident7 Ų753.5 Ų53.54%0.03729%0.293CS..Hα-helixtrans-63.4-48.2172.8-69.4168.2000111.2V56 T58 I70 Y132 M133 L134 F138 A139 Q140 L147 Y151V56-L136 HydrophobicContact CG1-CD2 4.48Å; T58-L136 HydrophobicContact CG2-CD2 3.54Å; I70-L136 HydrophobicContact CD1-CD2 3.89Å; I70-L136 HydrophobicContact CD1-CG 4.48Å; Y132-L136 WeakPolarHBondContact O-CG 3.45Å; Y132-L136 PolarHBondContact O-N 3.16Å; M133-L136 PolarHBondContact O-N 2.97Å; M133-L136 HydrophobicContact SD-CD1 4.13Å; L134-L136 PolarHBondContact O-N 3.29Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 PolarHBondContact O-N 3.46Å; L136-A139 WeakPolarHBondContact O-CB 3.13Å; L136-A139 PolarHBondContact O-N 2.89Å; L136-A139 VanDerWaalsContact O-N 3.13Å; L136-Q140 WeakPolarHBondContact O-CG 3.28Å; L136-Q140 PolarHBondContact O-N 3.13Å; L136-L147 HydrophobicContact CB-CD1 4.34Å; L136-L147 HydrophobicContact CD2-CD1 3.78Å; L136-Y151 HydrophobicContact CD1-CD1 3.68Å; L136-Y151 HydrophobicContact CD1-CE1 4.3Å; L136-Y151 HydrophobicContact CD1-CG 4.07Å
137S93.8Very high91.2Very high44 Ų4449.5 Ų49.531%0.30827%0.268SS..Hα-helixtrans-60.8-41.6179-58.50000111.6M133 L134 Q140 Q141M133-S137 WeakPolarHBondContact O-CB 3.12Å; M133-S137 PolarHBondContact O-N 2.91Å; M133-S137 PolarHBondContact O-OG 2.89Å; L134-S137 PolarHBondContact O-N 2.87Å; S137-Q140 PolarHBondContact O-N 2.74Å; S137-Q141 WeakPolarHBondContact O-CB 3.34Å; S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.17Å; S137-Q141 PolarHBondContact O-N 3.27Å
138F94.4Very high91.9Very high39 Ų3948.3 Ų48.317%0.17126%0.264CS..Hα-helixtrans-57.3-50.4172.6170.1-95.4000111.1L90 L109 V111 L134 L136 Q140 Q141 Q142L90-F138 HydrophobicContact CD2-CB 4.09Å; L90-F138 HydrophobicContact CD2-CD1 3.84Å; L90-F138 HydrophobicContact CD2-CD2 3.39Å; L90-F138 HydrophobicContact CD2-CE1 4.14Å; L90-F138 HydrophobicContact CD2-CE2 3.69Å; L90-F138 HydrophobicContact CD2-CG 3.47Å; L90-F138 VanDerWaalsContact CD2-CG 3.47Å; L90-F138 HydrophobicContact CD2-CZ 4.08Å; L109-F138 HydrophobicContact CD2-CD1 4.28Å; L109-F138 HydrophobicContact CD2-CE1 4.25Å; V111-F138 HydrophobicContact CG2-CD1 4.07Å; V111-F138 HydrophobicContact CG2-CE1 4.26Å; L134-F138 WeakPolarHBondContact O-CB 3.13Å; L134-F138 PolarHBondContact O-N 3.49Å; L136-F138 VanDerWaalsContact C-N 3.3Å; L136-F138 PolarHBondContact O-N 3.46Å; F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.28Å; F138-Q141 PolarHBondContact O-N 3.27Å; F138-Q142 HydrophobicContact CD2-CG 4.14Å; F138-Q142 HydrophobicContact CE1-CB 4.33Å; F138-Q142 HydrophobicContact CE1-CG 4.46Å; F138-Q142 HydrophobicContact CE2-CB 4.11Å; F138-Q142 HydrophobicContact CE2-CG 3.46Å; F138-Q142 VanDerWaalsContact CE2-CG 3.46Å; F138-Q142 HydrophobicContact CZ-CB 3.96Å; F138-Q142 HydrophobicContact CZ-CG 3.63Å; F138-Q142 WeakPolarHBondContact O-CB 3.22Å; F138-Q142 PolarHBondContact O-N 3.35Å
139A94.1Very high91.9Very high0 Ų055.6 Ų55.60%030%0.297CS..Hα-helixtrans-59.3-40.7179.600000112.3L68 I70 L109 A135 L136 H143 L147L68-A139 HydrophobicContact CD2-CB 4.11Å; I70-A139 HydrophobicContact CD1-CB 3.94Å; L109-A139 HydrophobicContact CD2-CB 3.62Å; A135-A139 PolarHBondContact O-N 3.43Å; L136-A139 WeakPolarHBondContact O-CB 3.13Å; L136-A139 PolarHBondContact O-N 2.89Å; L136-A139 VanDerWaalsContact O-N 3.13Å; A139-H143 WeakPolarHBondContact O-CB 3.37Å; A139-H143 PolarHBondContact O-N 2.8Å; A139-H143 VanDerWaalsContact O-N 3.16Å; A139-L147 HydrophobicContact CB-CD1 4.12Å
140Q94.2Very high92Very high75 Ų7559.8 Ų59.835%0.3531%0.314SS..Hα-helixtrans-62.2-47.2175.3-65.2-175.4154.900112L136 S137 F138 G144 M145 L147L136-Q140 WeakPolarHBondContact O-CG 3.28Å; L136-Q140 PolarHBondContact O-N 3.13Å; S137-Q140 PolarHBondContact O-N 2.74Å; F138-Q140 VanDerWaalsContact C-N 3.3Å; F138-Q140 PolarHBondContact O-N 3.28Å; Q140-G144 WeakPolarHBondContact O-CA 3.41Å; Q140-G144 PolarHBondContact O-N 2.64Å; Q140-M145 VanDerWaalsContact CA-O 3.28Å; Q140-M145 WeakPolarHBondContact CA-O 3.35Å; Q140-M145 VanDerWaalsContact CB-O 3.29Å; Q140-M145 WeakPolarHBondContact CB-O 3.39Å; Q140-M145 VanDerWaalsContact CG-O 3.3Å; Q140-M145 WeakPolarHBondContact CG-O 3.38Å; Q140-M145 PolarHBondContact O-N 2.93Å; Q140-L147 HydrophobicContact CG-CB 4.16Å; Q140-L147 HydrophobicContact CG-CD1 3.8Å; Q140-L147 HydrophobicContact CG-CG 3.75Å
141Q92.6Very high92.2Very high162 Ų16258.6 Ų58.676%0.75730%0.304SS*.Hα-helixtrans-71.6-46.3-175.7-71.1174.44.200112.6S137 F138S137-Q141 WeakPolarHBondContact O-CB 3.34Å; S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.17Å; S137-Q141 PolarHBondContact O-N 3.27Å; F138-Q141 PolarHBondContact O-N 3.27Å
142Q92.2Very high92.2Very high126 Ų12660.3 Ų60.359%0.58932%0.316SS*.Hα-helixtrans-74.9-32-176.2-101.7-62.2-27.300113.5F138F138-Q142 HydrophobicContact CD2-CG 4.14Å; F138-Q142 HydrophobicContact CE1-CB 4.33Å; F138-Q142 HydrophobicContact CE1-CG 4.46Å; F138-Q142 HydrophobicContact CE2-CB 4.11Å; F138-Q142 HydrophobicContact CE2-CG 3.46Å; F138-Q142 VanDerWaalsContact CE2-CG 3.46Å; F138-Q142 HydrophobicContact CZ-CB 3.96Å; F138-Q142 HydrophobicContact CZ-CG 3.63Å; F138-Q142 WeakPolarHBondContact O-CB 3.22Å; F138-Q142 PolarHBondContact O-N 3.35Å
143H90.8Very high92.1Very high56 Ų5663.1 Ų63.126%0.25934%0.335SS..Hα-helixtrans-114.69.3-173.9-58.5-57.5000113.8L95 L109 A139 M145L95-H143 HydrophobicContact CD2-CB 4.18Å; L109-H143 WeakPolarHBondContact CD1-NE2 3.26Å; A139-H143 WeakPolarHBondContact O-CB 3.37Å; A139-H143 PolarHBondContact O-N 2.8Å; A139-H143 VanDerWaalsContact O-N 3.16Å; H143-M145 VanDerWaalsContact C-N 3.34Å; H143-M145 HydrophobicContact CB-CE 3.34Å; H143-M145 PolarHBondContact O-N 2.83Å
144G90.7Very high91.2Very high64 Ų6462.2 Ų62.266%0.6633%0.334SS*.THydrogen-bonded Turntrans56.644.3174.100000113.1Q140Q140-G144 WeakPolarHBondContact O-CA 3.41Å; Q140-G144 PolarHBondContact O-N 2.64Å
145M92.8Very high89.7Confident8 Ų861.6 Ų61.64%0.03934%0.335CS..  trans-120.1150.6-178.567.6177.485.300111.9I60 E62 L68 L95 Q140 H143 L147I60-M145 HydrophobicContact CD1-SD 4.35Å; I60-M145 HydrophobicContact CG1-SD 4.35Å; I60-M145 HydrophobicContact CG2-CB 4.46Å; E62-M145 WeakPolarHBondContact O-CA 3.49Å; E62-M145 WeakPolarHBondContact O-CB 3.3Å; L68-M145 HydrophobicContact CD2-SD 3.93Å; L95-M145 HydrophobicContact CD1-CE 4.07Å; L95-M145 HydrophobicContact CD2-CE 3.47Å; L95-M145 VanDerWaalsContact CD2-CE 3.47Å; L95-M145 HydrophobicContact CG-CE 4.42Å; Q140-M145 VanDerWaalsContact CA-O 3.28Å; Q140-M145 WeakPolarHBondContact CA-O 3.35Å; Q140-M145 VanDerWaalsContact CB-O 3.29Å; Q140-M145 WeakPolarHBondContact CB-O 3.39Å; Q140-M145 VanDerWaalsContact CG-O 3.3Å; Q140-M145 WeakPolarHBondContact CG-O 3.38Å; Q140-M145 PolarHBondContact O-N 2.93Å; H143-M145 VanDerWaalsContact C-N 3.34Å; H143-M145 HydrophobicContact CB-CE 3.34Å; H143-M145 PolarHBondContact O-N 2.83Å; M145-L147 HydrophobicContact CG-CD2 4.03Å; M145-L147 HydrophobicContact CG-CG 4.24Å; M145-L147 HydrophobicContact SD-CD2 3.67Å; M145-L147 HydrophobicContact SD-CG 4.36Å
146S93.8Very high88.2Confident50 Ų5072.2 Ų72.235%0.3537%0.374SS..EExtended strand (participates in β ladder)trans-99.3125.3173.2-59.90000108.6L61 E62L61-S146 PolarHBondContact N-O 2.86Å; E62-S146 PolarHBondContact N-O 2.92Å; E62-S146 PolarHBondContact O-N 3.18Å
147L94.9Very high86.7Confident10 Ų1075.3 Ų75.35%0.05240%0.396CS..EExtended strand (participates in β ladder)trans-109.8154.4-179.7-59.5178.3000111.1T58 Q59 I60 L68 L136 A139 Q140 M145T58-L147 HydrophobicContact CG2-CB 4.22Å; T58-L147 HydrophobicContact CG2-CD1 4.11Å; T58-L147 HydrophobicContact CG2-CD2 4.03Å; T58-L147 HydrophobicContact CG2-CG 4.35Å; Q59-L147 CarbonylContact O-C 3.53Å; Q59-L147 WeakPolarHBondContact O-CA 3.41Å; I60-L147 HydrophobicContact CB-CD2 4.37Å; I60-L147 HydrophobicContact CG1-CD2 3.9Å; L68-L147 HydrophobicContact CB-CD2 4.37Å; L68-L147 HydrophobicContact CD2-CD1 3.72Å; L68-L147 HydrophobicContact CD2-CD2 3.72Å; L68-L147 HydrophobicContact CD2-CG 4.39Å; L136-L147 HydrophobicContact CB-CD1 4.34Å; L136-L147 HydrophobicContact CD2-CD1 3.78Å; A139-L147 HydrophobicContact CB-CD1 4.12Å; Q140-L147 HydrophobicContact CG-CB 4.16Å; Q140-L147 HydrophobicContact CG-CD1 3.8Å; Q140-L147 HydrophobicContact CG-CG 3.75Å; M145-L147 HydrophobicContact CG-CD2 4.03Å; M145-L147 HydrophobicContact CG-CG 4.24Å; M145-L147 HydrophobicContact SD-CD2 3.67Å; M145-L147 HydrophobicContact SD-CG 4.36Å
148S91.9Very high85.2Confident25 Ų2574.5 Ų74.518%0.17539%0.39CS..EExtended strand (participates in β ladder)trans-63.7141.7166.2-178.70000110.1T58 Q59 E150T58-S148 PolarHBondContact OG1-O 2.75Å; Q59-S148 PolarHBondContact O-N 2.74Å; S148-E150 PolarHBondContact O-N 2.73Å; S148-E150 PolarHBondContact OG-N 2.82Å; S148-E150 VanDerWaalsContact OG-N 3.13Å
149Q86.1Confident84.1Confident178 Ų17875.7 Ų75.783%0.83240%0.395SS*.EExtended strand (participates in β ladder)trans-67-22.4171.1-65.2-176.3-2.600111.6
150E89.1Confident82.8Confident159 Ų15977.7 Ų77.774%0.74342%0.416SS*.EExtended strand (participates in β ladder)trans-82.6133.6176.1-62.6-177.6-178.100110.7T58 S148T58-E150 PolarHBondContact OG1-O 2.83Å; S148-E150 PolarHBondContact O-N 2.73Å; S148-E150 PolarHBondContact OG-N 2.82Å; S148-E150 VanDerWaalsContact OG-N 3.13Å
151Y91.6Very high81.6Confident66 Ų6677.9 Ų77.926%0.25942%0.42SS..EExtended strand (participates in β ladder)trans-141.2158.3174.469.8-92.1000111.3V56 R57 N129 Y132 M133 L136 V153V56-Y151 HydrophobicContact CG1-CD2 3.63Å; V56-Y151 HydrophobicContact CG1-CG 3.91Å; R57-Y151 CarbonylContact O-C 3.56Å; R57-Y151 VanDerWaalsContact O-CA 3.32Å; R57-Y151 WeakPolarHBondContact O-CA 3.44Å; N129-Y151 PolarHBondContact OD1-OH 2.83Å; Y132-Y151 AromaticContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CD2-CE2 3.65Å; Y132-Y151 HydrophobicContact CG-CE2 4.16Å; M133-Y151 HydrophobicContact SD-CD1 4.24Å; M133-Y151 HydrophobicContact SD-CE1 3.65Å; L136-Y151 HydrophobicContact CD1-CD1 3.68Å; L136-Y151 HydrophobicContact CD1-CE1 4.3Å; L136-Y151 HydrophobicContact CD1-CG 4.07Å; Y151-V153 HydrophobicContact CE2-CG2 4.4Å
152S89.4Confident80.5Confident37 Ų3773.6 Ų73.626%0.25941%0.406SS..EExtended strand (participates in β ladder)trans-127.6143.9175.458.60000109.9R57R57-S152 PolarHBondContact N-O 3.05Å; R57-S152 PolarHBondContact NE-OG 3.2Å; R57-S152 PolarHBondContact NH2-OG 2.89Å; R57-S152 PolarHBondContact O-N 2.88Å; R57-S152 PolarHBondContact O-OG 3.23Å
153V88.8Confident79.6Confident77 Ų7771.9 Ų71.947%0.46740%0.401SS..EExtended strand (participates in β ladder)trans-92120.3173.5-176.40000108.3C55 Y132 Y151C55-V153 CarbonylContact O-C 3.59Å; C55-V153 WeakPolarHBondContact O-CA 3.35Å; Y132-V153 HydrophobicContact CD2-CG2 4.19Å; Y132-V153 HydrophobicContact CE2-CG2 3.65Å; Y151-V153 HydrophobicContact CE2-CG2 4.4Å
154V73.4Confident79.1Confident62 Ų6272.1 Ų72.138%0.37640%0.404SS..  trans-104.9-28.6-157.8-170.60000115.9C55 R57C55-V154 PolarHBondContact O-N 3.46Å; R57-V154 HydrophobicContact CB-CB 4.46Å; R57-V154 HydrophobicContact CB-CG2 3.24Å; R57-V154 HydrophobicContact CG-CG2 4.21Å
155S62Low78.7Confident48 Ų4869.3 Ų69.334%0.33637%0.374SS..  trans-177.5177.3168.265.80000110.3S157S155-S157 VanDerWaalsContact C-N 3.34Å; S155-S157 PolarHBondContact OG-N 2.77Å; S155-S157 PolarHBondContact OG-O 2.93Å; S155-S157 PolarHBondContact OG-OG 3.17Å
156R61.8Low78.3Confident224 Ų22470.4 Ų70.485%0.84538%0.379SS*.SBendtrans-92.113.4167.4-60.6-174.9-169.9-114.64113.1L52L52-R156 WeakPolarHBondContact CD2-O 3.43Å
157S62.3Low77.8Confident71 Ų7172.4 Ų72.450%0.49739%0.391SS..SBendtrans-110.3139.9173.250.50000109S155S155-S157 VanDerWaalsContact C-N 3.34Å; S155-S157 PolarHBondContact OG-N 2.77Å; S155-S157 PolarHBondContact OG-O 2.93Å; S155-S157 PolarHBondContact OG-OG 3.17Å
158P63.3Low77.4Confident28 Ų2872.9 Ų72.918%0.18239%0.393CS..  trans-67143.2-177.625.1-27.9000108.6L52 G160 P162 L165L52-P158 HydrophobicContact CD1-CB 4.49Å; L52-P158 HydrophobicContact CD2-CB 3.86Å; L52-P158 VanDerWaalsContact CD2-CD 3.44Å; L52-P158 HydrophobicContact CD2-CG 4.14Å; P158-G160 PolarHBondContact O-N 2.96Å; P158-P162 HydrophobicContact CG-CB 4.49Å; P158-P162 HydrophobicContact CG-CG 3.95Å; P158-L165 HydrophobicContact CB-CD1 3.96Å
159K69.6Low77.3Confident63 Ų6372.2 Ų72.227%0.27439%0.387SS..SBendtrans-74.7111.1163.6-172.265.1173.1171.70107Y69 N71 F106 V108Y69-K159 HydrophobicContact CD1-CB 3.93Å; Y69-K159 HydrophobicContact CD1-CD 4.43Å; Y69-K159 HydrophobicContact CD1-CG 3.91Å; Y69-K159 HydrophobicContact CD2-CG 3.94Å; Y69-K159 HydrophobicContact CE1-CD 4.33Å; Y69-K159 HydrophobicContact CE1-CG 4.28Å; Y69-K159 HydrophobicContact CE2-CG 4.33Å; Y69-K159 HydrophobicContact CG-CB 3.93Å; Y69-K159 HydrophobicContact CG-CG 3.72Å; N71-K159 PolarHBondContact ND2-O 3.24Å; N71-K159 PolarHBondContact OD1-N 3.16Å; F106-K159 HydrophobicContact CE2-CG 4.39Å; V108-K159 WeakPolarHBondContact CG1-O 3.41Å; V108-K159 HydrophobicContact CG2-CG 4.15Å
160G66.9Low77.1Confident43 Ų4365.9 Ų65.944%0.44337%0.369SS..SBendtrans112178.9-171.100000112.4P158P158-G160 PolarHBondContact O-N 2.96Å
161N70.6Confident76.8Confident79 Ų7959.1 Ų59.142%0.42234%0.338SS..  trans-74.6138.7173.3-177.6-25.1000109.5D163 D164 L165N161-D163 PolarHBondContact O-N 3.32Å; N161-D163 VanDerWaalsContact O-N 3.16Å; N161-D163 PolarHBondContact OD1-N 3.5Å; N161-D164 VanDerWaalsContact CB-OD2 3.25Å; N161-D164 WeakPolarHBondContact CB-OD2 3.33Å; N161-D164 PolarHBondContact N-OD2 2.94Å; N161-D164 VanDerWaalsContact N-OD2 3.13Å; N161-D164 WeakPolarHBondContact O-CB 3.36Å; N161-D164 PolarHBondContact O-N 2.87Å; N161-L165 PolarHBondContact O-N 3.19Å
162P68.6Low75.6Confident71 Ų7161.2 Ų61.246%0.46135%0.35SS..Hα-helixtrans-50.3-30.4171-2832.6000115.3P158 L165 Q166P158-P162 HydrophobicContact CG-CB 4.49Å; P158-P162 HydrophobicContact CG-CG 3.95Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; P162-Q166 PolarHBondContact O-N 3.05Å
163D73.3Confident74.2Confident90 Ų9066 Ų6648%0.48137%0.366SS..Hα-helixtrans-70.6-36175.7-67.9-32.6000111.4N161 L165 Q166 C167N161-D163 PolarHBondContact O-N 3.32Å; N161-D163 VanDerWaalsContact O-N 3.16Å; N161-D163 PolarHBondContact OD1-N 3.5Å; D163-L165 VanDerWaalsContact C-N 3.25Å; D163-L165 PolarHBondContact O-N 3.11Å; D163-Q166 PolarHBondContact O-N 3.48Å; D163-C167 PolarHBondContact O-N 3.42Å; D163-C167 VanDerWaalsContact O-N 3.08Å; D163-C167 PolarHBondContact O-SG 2.99Å
164D79.6Confident72.2Confident62 Ų6268.5 Ų68.533%0.33238%0.376SS..Hα-helixtrans-65.4-33.6176.7-51.2-25.8000111.2N161 Q166 C167 R168N161-D164 VanDerWaalsContact CB-OD2 3.25Å; N161-D164 WeakPolarHBondContact CB-OD2 3.33Å; N161-D164 PolarHBondContact N-OD2 2.94Å; N161-D164 VanDerWaalsContact N-OD2 3.13Å; N161-D164 WeakPolarHBondContact O-CB 3.36Å; N161-D164 PolarHBondContact O-N 2.87Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 2.69Å; D164-C167 PolarHBondContact O-N 2.88Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 WeakPolarHBondContact O-CG 3.26Å; D164-R168 PolarHBondContact O-N 3.08Å
165L82.1Confident70.6Confident5 Ų570.7 Ų70.73%0.02639%0.391CS..Hα-helixtrans-61.6-43.9176.9176.4158000111.8P50 L52 N71 D110 P158 N161 P162 D163 L169P50-L165 HydrophobicContact CB-CD2 4.12Å; P50-L165 HydrophobicContact CG-CD2 3.77Å; L52-L165 HydrophobicContact CB-CD1 4.44Å; L52-L165 HydrophobicContact CD1-CD1 4.07Å; N71-L165 HydrophobicContact CB-CD1 4.15Å; D110-L165 HydrophobicContact CB-CG 4.43Å; D110-L165 VanDerWaalsContact OD2-CA 3.28Å; D110-L165 WeakPolarHBondContact OD2-CA 3.41Å; P158-L165 HydrophobicContact CB-CD1 3.96Å; N161-L165 PolarHBondContact O-N 3.19Å; P162-L165 WeakPolarHBondContact O-CB 3.47Å; P162-L165 PolarHBondContact O-N 3.38Å; D163-L165 VanDerWaalsContact C-N 3.25Å; D163-L165 PolarHBondContact O-N 3.11Å; L165-L169 HydrophobicContact CD2-CD1 4.07Å; L165-L169 PolarHBondContact O-N 2.92Å
166Q85.2Confident69.6Low31 Ų3173.9 Ų73.915%0.14540%0.404CS..Hα-helixtrans-64.3-48.1176.8-70.417448.200110.3P49 P50 P162 D163 D164 R168 L169 G170 F171P49-Q166 HydrophobicContact CB-CG 4.18Å; P50-Q166 HydrophobicContact CG-CG 4.06Å; P162-Q166 PolarHBondContact O-N 3.05Å; D163-Q166 PolarHBondContact O-N 3.48Å; D164-Q166 VanDerWaalsContact C-N 3.33Å; D164-Q166 PolarHBondContact O-N 2.69Å; Q166-R168 PolarHBondContact O-N 3.34Å; Q166-L169 PolarHBondContact O-N 3.38Å; Q166-G170 PolarHBondContact O-N 2.96Å; Q166-F171 HydrophobicContact CB-CB 3.99Å; Q166-F171 HydrophobicContact CB-CD1 3.86Å; Q166-F171 HydrophobicContact CB-CG 4.3Å; Q166-F171 HydrophobicContact CG-CD1 4.13Å; Q166-F171 WeakPolarHBondContact O-CA 3.37Å; Q166-F171 VanDerWaalsContact O-CB 3.26Å; Q166-F171 WeakPolarHBondContact O-CB 3.37Å; Q166-F171 PolarHBondContact O-N 3.49Å
167C82.8Confident68.6Low91 Ų9166.1 Ų66.162%0.61538%0.378SS*.Hα-helixtrans-58.8-45.1178.8-67.90000112.6D163 D164 L169 G170D163-C167 PolarHBondContact O-N 3.42Å; D163-C167 VanDerWaalsContact O-N 3.08Å; D163-C167 PolarHBondContact O-SG 2.99Å; D164-C167 PolarHBondContact O-N 2.88Å; C167-L169 VanDerWaalsContact C-N 3.31Å; C167-L169 PolarHBondContact O-N 3.3Å; C167-G170 PolarHBondContact O-N 3.4Å
168R88.1Confident67.6Low21 Ų2166.6 Ų66.68%0.07938%0.382CS..Hα-helixtrans-65.7-32.7-179.2-75.3-173.3-57.5-95.9-11.4112.7G93 K94 E96 D110 D164 Q166 G170G93-R168 CarbonylContact C-O 3.48Å; G93-R168 WeakPolarHBondContact CA-O 2.93Å; K94-R168 PolarHBondContact N-O 2.81Å; K94-R168 WeakPolarHBondContact O-CD 3.28Å; E96-R168 WeakPolarHBondContact OE2-CD 3.19Å; E96-R168 IonicContact OE2-CZ 3.9Å; E96-R168 IonicContact OE2-NE 2.83Å; E96-R168 IonicContact OE2-NH1 3.7Å; E96-R168 PolarHBondContact OE2-NH1 3.13Å; D110-R168 IonicContact OD1-CZ 3.99Å; D110-R168 IonicContact OD1-NE 3.71Å; D110-R168 IonicContact OD1-NH2 3.76Å; D110-R168 PolarHBondContact OD1-NH2 2.67Å; D110-R168 VanDerWaalsContact OD2-CB 3.26Å; D110-R168 WeakPolarHBondContact OD2-CB 3.38Å; D110-R168 IonicContact OD2-CZ 3.29Å; D110-R168 IonicContact OD2-NE 2.74Å; D110-R168 PolarHBondContact OD2-NE 2.97Å; D110-R168 IonicContact OD2-NH2 3.18Å; D110-R168 PolarHBondContact OD2-NH2 3.3Å; D164-R168 WeakPolarHBondContact O-CB 3.4Å; D164-R168 WeakPolarHBondContact O-CG 3.26Å; D164-R168 PolarHBondContact O-N 3.08Å; Q166-R168 PolarHBondContact O-N 3.34Å; R168-G170 PolarHBondContact O-N 3.5Å
169L88.6Confident66.4Low11 Ų1175 Ų756%0.05842%0.415CS..THydrogen-bonded Turntrans-78.75.8172.7-72.1171.6000113.7P50 C73 W75 D110 A112 L165 Q166 C167 F171P50-L169 HydrophobicContact CB-CD1 3.62Å; P50-L169 HydrophobicContact CG-CD1 3.67Å; C73-L169 HydrophobicContact CB-CD1 4.19Å; W75-L169 WeakPolarHBondContact CH2-O 3.41Å; W75-L169 HydrophobicContact CZ3-CB 4.07Å; W75-L169 WeakPolarHBondContact CZ3-O 3.31Å; D110-L169 HydrophobicContact CB-CD1 4.12Å; D110-L169 HydrophobicContact CB-CD2 4.02Å; D110-L169 HydrophobicContact CB-CG 3.79Å; A112-L169 HydrophobicContact CB-CD1 4.01Å; A112-L169 HydrophobicContact CB-CD2 3.98Å; L165-L169 HydrophobicContact CD2-CD1 4.07Å; L165-L169 PolarHBondContact O-N 2.92Å; Q166-L169 PolarHBondContact O-N 3.38Å; C167-L169 VanDerWaalsContact C-N 3.31Å; C167-L169 PolarHBondContact O-N 3.3Å; L169-F171 PolarHBondContact O-N 3.27Å
170G83.1Confident64.9Low44 Ų4477 Ų7745%0.45443%0.426SS..THydrogen-bonded Turntrans70.316.3-176.800000113.1Q166 C167 R168 Q172Q166-G170 PolarHBondContact O-N 2.96Å; C167-G170 PolarHBondContact O-N 3.4Å; R168-G170 PolarHBondContact O-N 3.5Å; G170-Q172 PolarHBondContact O-N 3.03Å
171F81.1Confident63.6Low18 Ų1880.9 Ų80.98%0.07944%0.436CS..  trans-74.598.8169.5-175.7-92.4000108.7N47 P49 P50 W75 Q166 L169 K173N47-F171 VanDerWaalsContact O-CE2 3.32Å; N47-F171 WeakPolarHBondContact O-CE2 3.41Å; P49-F171 HydrophobicContact CB-CD1 4.31Å; P49-F171 HydrophobicContact CB-CE1 3.9Å; P49-F171 HydrophobicContact CB-CE2 4.26Å; P49-F171 HydrophobicContact CB-CZ 3.87Å; P50-F171 HydrophobicContact CG-CB 4.49Å; W75-F171 HydrophobicContact CH2-CB 4.43Å; W75-F171 HydrophobicContact CZ2-CB 4.22Å; W75-F171 AromaticContact CZ2-CD2 3.87Å; W75-F171 HydrophobicContact CZ2-CD2 3.87Å; Q166-F171 HydrophobicContact CB-CB 3.99Å; Q166-F171 HydrophobicContact CB-CD1 3.86Å; Q166-F171 HydrophobicContact CB-CG 4.3Å; Q166-F171 HydrophobicContact CG-CD1 4.13Å; Q166-F171 WeakPolarHBondContact O-CA 3.37Å; Q166-F171 VanDerWaalsContact O-CB 3.26Å; Q166-F171 WeakPolarHBondContact O-CB 3.37Å; Q166-F171 PolarHBondContact O-N 3.49Å; L169-F171 PolarHBondContact O-N 3.27Å; F171-K173 HydrophobicContact CD1-CB 4.42Å; F171-K173 HydrophobicContact CE1-CB 3.89Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 3.33Å
172Q67.2Low62.1Low110 Ų11085.8 Ų85.851%0.51446%0.456SS..  trans-82110.1164.1-64.6176.444.700107.3G170 L174 E204G170-Q172 PolarHBondContact O-N 3.03Å; Q172-L174 PolarHBondContact O-N 3.25Å; Q172-E204 PolarHBondContact NE2-OE1 3.36Å
173K59.3Low60.6Low137 Ų13787.4 Ų87.460%0.59646%0.464SS*.  trans-63.398.9159.5-164.8173.7-173.4175.50104.6F171 P175F171-K173 HydrophobicContact CD1-CB 4.42Å; F171-K173 HydrophobicContact CE1-CB 3.89Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 3.33Å; K173-P175 VanDerWaalsContact O-N 3.1Å
174L48Very low59.2Low130 Ų13085.3 Ų85.368%0.68145%0.453SS*.  trans-44.5128.4163.6-136.283.7000104.3Q172 I176Q172-L174 PolarHBondContact O-N 3.25Å; L174-I176 WeakPolarHBondContact O-CG1 3.39Å; L174-I176 PolarHBondContact O-N 2.85Å
175P40Very low57.5Low108 Ų10888.6 Ų88.670%0.70148%0.475SS*.  trans-55.3101.9178.3-8.215.1000104.4K173 I177K173-P175 VanDerWaalsContact O-N 3.1Å; P175-I177 VanDerWaalsContact C-N 3.32Å; P175-I177 WeakPolarHBondContact O-CG1 3.37Å; P175-I177 PolarHBondContact O-N 3.39Å
176I40.5Very low55.6Low115 Ų11592.8 Ų92.859%0.5951%0.511SS*.  trans-64.7117.1178.1-53.4179.300099.9L174 S178L174-I176 WeakPolarHBondContact O-CG1 3.39Å; L174-I176 PolarHBondContact O-N 2.85Å; I176-S178 WeakPolarHBondContact CB-OG 3.39Å; I176-S178 WeakPolarHBondContact CG2-OG 3.49Å; I176-S178 PolarHBondContact O-N 3.47Å
177I40.8Very low53.8Low60 Ų6096.4 Ų96.431%0.30854%0.539SS..  trans-68.539.9176.7-52.1169.4000107.6P175 K179 Q180 L181 I184P175-I177 VanDerWaalsContact C-N 3.32Å; P175-I177 WeakPolarHBondContact O-CG1 3.37Å; P175-I177 PolarHBondContact O-N 3.39Å; I177-K179 PolarHBondContact O-N 3.3Å; I177-Q180 HydrophobicContact CG2-CB 3.42Å; I177-Q180 VanDerWaalsContact CG2-CB 3.42Å; I177-Q180 HydrophobicContact CG2-CG 3.89Å; I177-Q180 PolarHBondContact O-N 3.48Å; I177-Q180 VanDerWaalsContact O-N 3.09Å; I177-L181 PolarHBondContact O-N 3.47Å; I177-I184 HydrophobicContact CB-CD1 4.48Å; I177-I184 HydrophobicContact CG2-CD1 3.41Å; I177-I184 VanDerWaalsContact CG2-CD1 3.41Å
178S41.3Very low52.5Low82 Ų8295.8 Ų95.857%0.57353%0.527SS*.THydrogen-bonded Turntrans-61.7-27.6-178.1-58.20000110.9I176I176-S178 WeakPolarHBondContact CB-OG 3.39Å; I176-S178 WeakPolarHBondContact CG2-OG 3.49Å; I176-S178 PolarHBondContact O-N 3.47Å
179K37.7Very low51.8Low203 Ų20398.8 Ų98.888%0.88355%0.548SS*.THydrogen-bonded Turntrans-89.5-12.5175.5-74.9-172.6176.7-1790114.9I177I177-K179 PolarHBondContact O-N 3.3Å
180Q38.2Very low51Low107 Ų107103.1 Ų103.150%0.558%0.577SS.*THydrogen-bonded Turntrans-111.4-2.5172.2-43177.5-75.800113.9I177 E182 T183 I184I177-Q180 HydrophobicContact CG2-CB 3.42Å; I177-Q180 VanDerWaalsContact CG2-CB 3.42Å; I177-Q180 HydrophobicContact CG2-CG 3.89Å; I177-Q180 PolarHBondContact O-N 3.48Å; I177-Q180 VanDerWaalsContact O-N 3.09Å; Q180-E182 PolarHBondContact O-N 3.16Å; Q180-T183 CarbonylContact O-C 3.6Å; Q180-T183 PolarHBondContact O-N 3.25Å; Q180-I184 HydrophobicContact CB-CD1 3.77Å; Q180-I184 HydrophobicContact CB-CG1 4.11Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.36Å
181L39Very low50.4Low124 Ų124104 Ų10465%0.64958%0.58SS**Hα-helixtrans-62.9-25.8177.2-163.466.1000112.1I177 T183I177-L181 PolarHBondContact O-N 3.47Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.94Å
182E39.5Very low50Low181 Ų181104.8 Ų104.885%0.84659%0.59SS**Hα-helixtrans-74.4-14.3171.7-65.8-174.2174.600113.6Q180Q180-E182 PolarHBondContact O-N 3.16Å
183T36.3Very low50.3Low105 Ų105103.4 Ų103.464%0.64459%0.586SS**Hα-helixtrans-110.5-18.4179.8-30.20000113.4Q180 L181 T185Q180-T183 CarbonylContact O-C 3.6Å; Q180-T183 PolarHBondContact O-N 3.25Å; L181-T183 VanDerWaalsContact C-N 3.27Å; L181-T183 PolarHBondContact O-N 2.94Å; T183-T185 PolarHBondContact O-N 3.44Å
184I44.9Very low50.7Low47 Ų47102.1 Ų102.124%0.24159%0.585CS.*Hα-helixtrans-78.1-17.5-174-75166000113.2I177 Q180 A186 Q188I177-I184 HydrophobicContact CB-CD1 4.48Å; I177-I184 HydrophobicContact CG2-CD1 3.41Å; I177-I184 VanDerWaalsContact CG2-CD1 3.41Å; Q180-I184 HydrophobicContact CB-CD1 3.77Å; Q180-I184 HydrophobicContact CB-CG1 4.11Å; Q180-I184 WeakPolarHBondContact O-CB 3.36Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.36Å; I184-A186 PolarHBondContact O-N 3.14Å; I184-Q188 HydrophobicContact CG2-CG 4.19Å
185T43.6Very low51.9Low130 Ų130105.6 Ų105.680%0.79859%0.589SS**THydrogen-bonded Turntrans-65.8-1.4-177.115.10000115.3T183T183-T185 PolarHBondContact O-N 3.44Å
186A43.2Very low53.3Low94 Ų94104.2 Ų104.278%0.77757%0.573SS**THydrogen-bonded Turntrans-130-8.5-174.400000118.7I184I184-A186 PolarHBondContact O-N 3.14Å
187S47.4Very low54.6Low106 Ų106103.4 Ų103.474%0.74157%0.569SS**THydrogen-bonded Turntrans-156.211.1-175.787.70000120.9T189S187-T189 PolarHBondContact O-N 3.24Å
188Q55.6Low55.7Low78 Ų78103.9 Ų103.936%0.36458%0.578SS.*  trans-79.2118.4177-71-85.2-17.300110.7I184 L193I184-Q188 HydrophobicContact CG2-CG 4.19Å; Q188-L193 HydrophobicContact CB-CD1 4.46Å; Q188-L193 HydrophobicContact CB-CD2 4.33Å; Q188-L193 HydrophobicContact CB-CG 4.19Å
189T73.3Confident56.4Low85 Ų85103.7 Ų103.752%0.52158%0.576SS.*  trans-74.9149.9169.653.60000110.3S187 A191 A192 L193S187-T189 PolarHBondContact O-N 3.24Å; T189-A191 PolarHBondContact O-N 2.99Å; T189-A191 VanDerWaalsContact O-N 3.08Å; T189-A192 WeakPolarHBondContact O-CB 3.39Å; T189-A192 PolarHBondContact O-N 2.93Å; T189-L193 PolarHBondContact O-N 2.76Å
190P70.3Confident57Low102 Ų10297.6 Ų97.666%0.66256%0.559SS**Hα-helixtrans-52.7-33.5178.3-28.335.1000113.8L193 L194P190-L193 PolarHBondContact O-N 2.89Å; P190-L194 WeakPolarHBondContact O-CG 3.39Å; P190-L194 PolarHBondContact O-N 3.23Å
191A70.9Confident57.4Low62 Ų6299.4 Ų99.451%0.51257%0.568SS.*Hα-helixtrans-67.2-35.617700000113.5T189 R195T189-A191 PolarHBondContact O-N 2.99Å; T189-A191 VanDerWaalsContact O-N 3.08Å; A191-R195 WeakPolarHBondContact O-CG 3.25Å; A191-R195 PolarHBondContact O-N 3.03Å
192A73.3Confident57.3Low35 Ų35104.6 Ų104.629%0.28958%0.578SS.*Hα-helixtrans-68.2-41.2176.700000111.1T189 R195 Q196T189-A192 WeakPolarHBondContact O-CB 3.39Å; T189-A192 PolarHBondContact O-N 2.93Å; A192-R195 PolarHBondContact O-N 2.64Å; A192-Q196 PolarHBondContact O-N 2.86Å; A192-Q196 VanDerWaalsContact O-N 3.08Å
193L73.4Confident57.1Low80 Ų80100.9 Ų100.942%0.41957%0.573SS.*Hα-helixtrans-62.9-44.8174.3-69170.7000111.8Q188 T189 P190 R195 Q196 I197Q188-L193 HydrophobicContact CB-CD1 4.46Å; Q188-L193 HydrophobicContact CB-CD2 4.33Å; Q188-L193 HydrophobicContact CB-CG 4.19Å; T189-L193 PolarHBondContact O-N 2.76Å; P190-L193 PolarHBondContact O-N 2.89Å; L193-R195 PolarHBondContact O-N 2.95Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 2.75Å; L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.39Å
194L68Low57.2Low110 Ų110101.4 Ų101.458%0.57657%0.568SS**Hα-helixtrans-61.4-43.3176.8-73.6174.1000112P190 Q196 I197 S198P190-L194 WeakPolarHBondContact O-CG 3.39Å; P190-L194 PolarHBondContact O-N 3.23Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 2.79Å; L194-I197 PolarHBondContact O-N 3.18Å; L194-S198 PolarHBondContact O-N 3.19Å; L194-S198 PolarHBondContact O-OG 3.3Å; L194-S198 VanDerWaalsContact O-OG 3.05Å
195R72.8Confident56.7Low204 Ų204108.5 Ų108.577%0.7760%0.6SS**Hα-helixtrans-60.1-37.9175-75.3179.878.81634.5112.1A191 A192 L193 S199A191-R195 WeakPolarHBondContact O-CG 3.25Å; A191-R195 PolarHBondContact O-N 3.03Å; A192-R195 PolarHBondContact O-N 2.64Å; L193-R195 PolarHBondContact O-N 2.95Å; R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.17Å; R195-S199 PolarHBondContact O-OG 3.05Å
196Q69.8Low56.2Low79 Ų79109.8 Ų109.837%0.36960%0.602SS.*Hα-helixtrans-66.2-45.7176.9-168.5176.7-35.600111.3A192 L193 L194 S198 S199 S200A192-Q196 PolarHBondContact O-N 2.86Å; A192-Q196 VanDerWaalsContact O-N 3.08Å; L193-Q196 WeakPolarHBondContact O-CB 3.48Å; L193-Q196 PolarHBondContact O-N 2.75Å; L194-Q196 VanDerWaalsContact C-N 3.27Å; L194-Q196 PolarHBondContact O-N 2.79Å; Q196-S198 PolarHBondContact O-N 3.2Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.17Å; Q196-S199 PolarHBondContact O-OG 3.45Å; Q196-S200 PolarHBondContact O-N 2.9Å; Q196-S200 PolarHBondContact O-OG 3.05Å
197I68.3Low55.8Low97 Ų97109.9 Ų109.950%0.49760%0.597SS.*Hα-helixtrans-60.4-45.7176.2-64.5164.5000110.7L193 L194 S199 S200L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.39Å; L194-I197 PolarHBondContact O-N 3.18Å; I197-S199 PolarHBondContact O-N 3.46Å; I197-S200 PolarHBondContact O-N 3.41Å
198S62.5Low55.1Low71 Ų71109.1 Ų109.150%0.49760%0.597SS.*Hα-helixtrans-63.7-28.6177.9-58.60000113.3L194 Q196L194-S198 PolarHBondContact O-N 3.19Å; L194-S198 PolarHBondContact O-OG 3.3Å; L194-S198 VanDerWaalsContact O-OG 3.05Å; Q196-S198 PolarHBondContact O-N 3.2Å
199S57.4Low54.1Low77 Ų77109.9 Ų109.954%0.53862%0.616SS.*Hα-helixtrans-77.1-27.2176.869.80000113.4R195 Q196 I197R195-S199 WeakPolarHBondContact O-CB 3.49Å; R195-S199 PolarHBondContact O-N 3.17Å; R195-S199 PolarHBondContact O-OG 3.05Å; Q196-S199 PolarHBondContact O-N 3.05Å; Q196-S199 VanDerWaalsContact O-N 3.17Å; Q196-S199 PolarHBondContact O-OG 3.45Å; I197-S199 PolarHBondContact O-N 3.46Å
200S49.6Very low52.2Low76 Ų76114.3 Ų114.353%0.53163%0.631SS.*Hα-helixtrans-78.3-15.6179.4-62.70000114.2Q196 I197Q196-S200 PolarHBondContact O-N 2.9Å; Q196-S200 PolarHBondContact O-OG 3.05Å; I197-S200 PolarHBondContact O-N 3.41Å
201Q46.3Very low50.5Low145 Ų145115.1 Ų115.168%0.67863%0.629SS**THydrogen-bonded Turntrans-85.81.1-177.1-73.3-177-21.200115S203Q201-S203 PolarHBondContact O-N 2.86Å
202R36.1Very low48.5Very low232 Ų232119 Ų11988%0.87564%0.64SS**THydrogen-bonded Turntrans-90.311.1-170.7-76.3-170.6176.7-169.1-2.1116.2
203S35.2Very low46.3Very low104 Ų104120.1 Ų120.173%0.72764%0.644SS**THydrogen-bonded Turntrans-126.222.9-176.8-172.10000114.6Q201Q201-S203 PolarHBondContact O-N 2.86Å
204E39.4Very low44.3Very low116 Ų116126.8 Ų126.854%0.54266%0.664SS.*  trans-116.690.3179.6-62.6-167.7165.400110.5Q172 D206Q172-E204 PolarHBondContact NE2-OE1 3.36Å; E204-D206 PolarHBondContact O-N 3.26Å
205E34Very low42.5Very low196 Ų196127.1 Ų127.192%0.91667%0.673SS**SBendtrans-71.2114.8150.6-78.4-17816400107.8
206D33.1Very low40.6Very low157 Ų157121.9 Ų121.984%0.8467%0.673SS**SBendtrans6461.1156.9-146.821.7000119.3E204E204-D206 PolarHBondContact O-N 3.26Å
207S35.8Very low38.9Very low95 Ų95127.4 Ų127.466%0.66470%0.699SS**  trans-139.393.1155.9-80.20000110.7A209S207-A209 PolarHBondContact O-N 2.97Å
208A32Very low37.3Very low91 Ų91131.8 Ų131.875%0.75272%0.717SS**  trans-53.8109.417100000109.8Q210A208-Q210 PolarHBondContact O-N 3.44Å
209A34.1Very low35.9Very low93 Ų93135.4 Ų135.477%0.76974%0.736SS**  trans-60.1102.9169.500000108.6S207 I211S207-A209 PolarHBondContact O-N 2.97Å; A209-I211 PolarHBondContact O-N 3.42Å; A209-I211 VanDerWaalsContact O-N 3.13Å
210Q33.8Very low35.2Very low179 Ų179141.6 Ų141.684%0.83675%0.754SS**  trans-71.8107.7174.1-69.5-175.720.800108.8A208 I212A208-Q210 PolarHBondContact O-N 3.44Å; Q210-I212 PolarHBondContact O-N 3.01Å
211I33.8Very low34.4Very low119 Ų119141.5 Ų141.561%0.6176%0.758SS**  trans-66.3115.3167.4-58.1177000106.7V14 A209 C213V14-I211 HydrophobicContact CG2-CD1 4.36Å; A209-I211 PolarHBondContact O-N 3.42Å; A209-I211 VanDerWaalsContact O-N 3.13Å; I211-C213 PolarHBondContact O-N 3.19Å
212I29.4Very low34.2Very low143 Ų143142.8 Ų142.873%0.73377%0.769SS**  trans-71.993.1177.6-57.4174.2000108.4Q210Q210-I212 PolarHBondContact O-N 3.01Å
213C26.6Very low34.2Very low58 Ų58139.2 Ų139.239%0.39277%0.767SS.*  trans-99.7109.4163.6-69.30000108.1Q13 I211Q13-C213 PolarHBondContact OE1-SG 3.01Å; I211-C213 PolarHBondContact O-N 3.19Å
214R32Very low34.2Very low220 Ų220141.9 Ų141.983%0.8377%0.771SS**  trans-86.7134.8157.9-87-174.6171169.2-3108
215P30.2Very low34Very low117 Ų117144.6 Ų144.676%0.7678%0.784SS**  -129.5157.3103.18.912.6000113.2
216A34.1Very low34.1Very low94 Ų94140.9 Ų140.978%0.77777%0.774SS**  trans-80.1143.7176.500000111.9
217E32.8Very low34.3Very low195 Ų195140.5 Ų140.591%0.91177%0.771SS**  trans150.199.6138.3-83.6-178.3-17400109.4
218Q34.2Very low34.4Very low190 Ų190141 Ų14189%0.88877%0.774SS**  trans-110.9108.6170.2-82.1-177.4-10.100109.3
219T33.2Very low34.6Very low146 Ų146140.7 Ų140.790%0.89677%0.767SS**  trans-71.2137.4158310000109.3
220K43.1Very low35.1Very low207 Ų207142.2 Ų142.290%0.977%0.766SS**  trans-63.2133.3-177.6-63.3173.9175.7177.10111.8
221A33.7Very low35.4Very low74 Ų74142.8 Ų142.861%0.61277%0.767SS**  trans-160.7136.9136.700000109.1L223A221-L223 PolarHBondContact O-N 3.42Å; A221-L223 VanDerWaalsContact O-N 3.12Å
222N40.9Very low36.1Very low173 Ų173145 Ų14593%0.92577%0.774SS**  trans-48.8114.5174.5-58.9-60.8000110.7
223L37.5Very low37.4Very low156 Ų156140.3 Ų140.382%0.81776%0.761SS**  trans-132.120.7-172.9-95.4159.8000113.5A221 Q225A221-L223 PolarHBondContact O-N 3.42Å; A221-L223 VanDerWaalsContact O-N 3.12Å; L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.03Å
224I35.4Very low39.6Very low161 Ų161140.9 Ų140.983%0.82676%0.764SS**  trans-92.779.5162.7-51.7178.4000107.3
225Q34.2Very low42Very low172 Ų172134.7 Ų134.780%0.80475%0.745SS**  trans-88117.7148.2-165.5168.38.200105.2L223 I227L223-Q225 VanDerWaalsContact C-N 3.31Å; L223-Q225 PolarHBondContact O-N 3.03Å; Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 WeakPolarHBondContact O-CG1 3.33Å; Q225-I227 PolarHBondContact O-N 3.21Å
226V36.7Very low44.6Very low119 Ų119134.8 Ų134.872%0.72174%0.735SS**  trans-55.797.2172.9177.10000107.1S228V226-S228 PolarHBondContact O-N 3.41Å
227I36.9Very low47.2Very low149 Ų149130.6 Ų130.676%0.76470%0.7SS**  trans-80.4103.7162.7-27.5-180000103.2Q225 S229Q225-I227 VanDerWaalsContact C-N 3.29Å; Q225-I227 WeakPolarHBondContact O-CG1 3.33Å; Q225-I227 PolarHBondContact O-N 3.21Å; I227-S229 PolarHBondContact O-N 3.06Å
228S37.5Very low49.9Very low106 Ų106128.6 Ų128.674%0.74169%0.69SS**  trans-61.172.5156.8-49.30000106.9V226 T230V226-S228 PolarHBondContact O-N 3.41Å; S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 VanDerWaalsContact O-N 3.09Å
229S36.1Very low52.6Low84 Ų84123.5 Ų123.559%0.58766%0.664SS**  trans-73.3104173.2-168.10000105.1I227 F231I227-S229 PolarHBondContact O-N 3.06Å; S229-F231 PolarHBondContact O-N 3.4Å
230T45.2Very low55.3Low124 Ų124120.3 Ų120.376%0.76164%0.644SS**  trans-58.379.3160.531.80000107.9S228 Q232S228-T230 PolarHBondContact O-N 2.93Å; S228-T230 VanDerWaalsContact O-N 3.09Å; T230-Q232 PolarHBondContact O-N 3.46Å
231F38.9Very low57.5Low192 Ų192112.5 Ų112.584%0.84261%0.614SS**  trans-7078.6162.5-138.6-89.3000105.9S229 G233S229-F231 PolarHBondContact O-N 3.4Å; F231-G233 PolarHBondContact O-N 2.88Å
232Q49.4Very low60.1Low164 Ų164114.1 Ų114.177%0.76661%0.608SS**  trans-68.4107.5165-105.2171.7-32.700104.9T230T230-Q232 PolarHBondContact O-N 3.46Å
233G55.8Low62.4Low45 Ų45108.3 Ų108.346%0.46458%0.579SS.*  trans-54.7177.3164.700000111.2F231 Q235F231-G233 PolarHBondContact O-N 2.88Å; G233-Q235 PolarHBondContact O-N 3.07Å; G233-Q235 VanDerWaalsContact O-N 3.15Å
234P73.1Confident64.8Low71 Ų71105.4 Ų105.446%0.46156%0.56SS.*SBendtrans-46.2126.8177.1-25.433.3000110.2H287P234-H287 HydrophobicContact CB-CB 3.67Å; P234-H287 HydrophobicContact CG-CB 4.46Å
235Q82.6Confident67.2Low90 Ų90100.9 Ų100.942%0.42154%0.543SS..BIsolated β-bridgetrans-73.1143.4-174.5-167.2-174.3-27.600108.9G233 P237 V285 Y286 H287G233-Q235 PolarHBondContact O-N 3.07Å; G233-Q235 VanDerWaalsContact O-N 3.15Å; Q235-P237 WeakPolarHBondContact O-CD 3.26Å; Q235-V285 PolarHBondContact N-O 2.64Å; Q235-Y286 HydrophobicContact CB-CD1 4.25Å; Q235-Y286 HydrophobicContact CB-CE1 4.33Å; Q235-Y286 VanDerWaalsContact O-CA 3.27Å; Q235-Y286 WeakPolarHBondContact O-CA 3.38Å; Q235-Y286 WeakPolarHBondContact O-CD1 3.36Å; Q235-H287 PolarHBondContact O-N 3.06Å; Q235-H287 VanDerWaalsContact O-N 3.17Å
236E84.3Confident69.5Low119 Ų11994.5 Ų94.556%0.55651%0.514SS*.PPolyproline II helixtrans-71.8122.1166.1-166.6175176.900108.4Y239 L288E236-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; E236-L288 HydrophobicContact CG-CD1 4.33Å
237P89.7Confident71.4Confident5 Ų596.6 Ų96.63%0.03253%0.526CS..PPolyproline II helixtrans-71.1155.2177.530.4-34.1000110.9Q235 Y239 V258 L260 Y286 L288Q235-P237 WeakPolarHBondContact O-CD 3.26Å; P237-Y239 WeakPolarHBondContact O-CD1 3.42Å; P237-Y239 PolarHBondContact O-N 3.5Å; P237-V258 HydrophobicContact CB-CG1 3.54Å; P237-V258 HydrophobicContact CG-CG1 3.51Å; P237-L260 HydrophobicContact CB-CD2 3.9Å; P237-L260 HydrophobicContact CG-CD2 4.38Å; P237-Y286 HydrophobicContact CB-CD1 3.67Å; P237-Y286 HydrophobicContact CB-CE1 4.01Å; P237-Y286 HydrophobicContact CB-CG 4.25Å; P237-Y286 HydrophobicContact CG-CD1 4.27Å; P237-L288 HydrophobicContact CG-CB 3.84Å; P237-L288 HydrophobicContact CG-CD2 4.18Å; P237-L288 HydrophobicContact CG-CG 4.45Å
238E89.1Confident73.2Confident153 Ų15393.5 Ų93.572%0.71552%0.523SS*.EExtended strand (participates in β ladder)trans-72.1129.3171.1-172.3174.3-171.700109.2E259E238-E259 HydrophobicContact CB-CB 4.47Å; E238-E259 PolarHBondContact O-N 3.37Å
239Y90.6Very high74.9Confident84 Ų8491 Ų9133%0.32951%0.514SS..EExtended strand (participates in β ladder)trans-140.2157.4-177.469.3-91.1000112.9E236 P237 V241 L256 T257 L288 L290E236-Y239 WeakPolarHBondContact OE1-CE1 3.5Å; P237-Y239 WeakPolarHBondContact O-CD1 3.42Å; P237-Y239 PolarHBondContact O-N 3.5Å; Y239-V241 HydrophobicContact CD2-CG2 3.92Å; Y239-V241 HydrophobicContact CE2-CG2 4.18Å; Y239-L256 HydrophobicContact CD2-CD1 4.13Å; Y239-L256 HydrophobicContact CG-CD1 4.41Å; Y239-T257 CarbonylContact C-O 3.56Å; Y239-T257 WeakPolarHBondContact CA-O 3.27Å; Y239-T257 WeakPolarHBondContact CB-O 3.23Å; Y239-L288 HydrophobicContact CD1-CD1 3.57Å; Y239-L288 HydrophobicContact CD1-CD2 4.29Å; Y239-L288 HydrophobicContact CE1-CD1 3.56Å; Y239-L288 HydrophobicContact CG-CD1 4.31Å; Y239-L288 HydrophobicContact CG-CD2 4.36Å; Y239-L290 HydrophobicContact CD2-CD2 4.35Å; Y239-L290 HydrophobicContact CE2-CD1 3.67Å; Y239-L290 HydrophobicContact CE2-CD2 4.2Å
240V89.9Confident77Confident79 Ų7990.8 Ų90.848%0.47951%0.509SS..EExtended strand (participates in β ladder)trans-134.6133.5173.7-177.80000108.6E242 T257V240-E242 HydrophobicContact CG1-CG 4.01Å; V240-T257 PolarHBondContact N-O 2.98Å; V240-T257 PolarHBondContact O-N 3.33Å
241V90.2Very high78.8Confident43 Ų4386.5 Ų86.526%0.26148%0.483SS..EExtended strand (participates in β ladder)trans-119.1123.5177.9-178.60000108.5Y239 V254 E255 L256 L290 P293Y239-V241 HydrophobicContact CD2-CG2 3.92Å; Y239-V241 HydrophobicContact CE2-CG2 4.18Å; V241-V254 HydrophobicContact CG1-CG1 3.9Å; V241-E255 WeakPolarHBondContact CA-O 3.44Å; V241-L256 HydrophobicContact CG2-CD1 3.55Å; V241-L290 HydrophobicContact CG2-CD2 3.24Å; V241-L290 HydrophobicContact CG2-CG 4.47Å; V241-P293 HydrophobicContact CG1-CG 4.03Å
242E88.6Confident81.1Confident108 Ų10885.1 Ų85.151%0.50547%0.473SS..EExtended strand (participates in β ladder)trans-125.3136.5179.9-62.6-173.716500110.6V240 E255V240-E242 HydrophobicContact CG1-CG 4.01Å; E242-E255 PolarHBondContact N-O 3.17Å; E242-E255 PolarHBondContact O-N 2.91Å
243V89.4Confident83Confident50 Ų5078.5 Ų78.530%0.30344%0.444SS..EExtended strand (participates in β ladder)trans-97.4113170.8-175.90000108P251 V254 P293 K294V243-P251 HydrophobicContact CG1-CB 3.68Å; V243-V254 HydrophobicContact CG2-CG2 4.43Å; V243-P293 HydrophobicContact CG2-CB 4.19Å; V243-P293 HydrophobicContact CG2-CG 3.5Å; V243-K294 HydrophobicContact CG1-CD 4.21Å
244K86.7Confident84.6Confident95 Ų9576.5 Ų76.541%0.41342%0.423SS..EExtended strand (participates in β ladder)trans-83.3119.2175.5-68.3-177.6170.3176.40109.7R252 S253 E255K244-R252 PolarHBondContact O-N 2.96Å; K244-S253 PolarHBondContact N-O 3.47Å; K244-S253 PolarHBondContact O-N 3.39Å; K244-E255 WeakPolarHBondContact CE-OE2 3.48Å; K244-E255 IonicContact NZ-OE2 3.2Å; K244-E255 PolarHBondContact NZ-OE2 3.24Å
245S87.1Confident85.5Confident67 Ų6775 Ų7547%0.46941%0.41SS..EExtended strand (participates in β ladder)trans-99.6156.9173.1-63.90000111.7G249 V250S245-G249 PolarHBondContact OG-O 3.35Å; S245-V250 CarbonylContact C-O 3.5Å; S245-V250 WeakPolarHBondContact CA-O 3.26Å; S245-V250 WeakPolarHBondContact CB-O 3.33Å
246D81.8Confident86Confident38 Ų3870.9 Ų70.920%0.20339%0.391CS..  trans-80.1180171.467.115.6000113.1A248 G249 V250 R252D246-A248 PolarHBondContact O-N 3.08Å; D246-A248 VanDerWaalsContact O-N 3.07Å; D246-A248 WeakPolarHBondContact OD1-CA 3.43Å; D246-A248 WeakPolarHBondContact OD1-CB 3.49Å; D246-A248 PolarHBondContact OD1-N 3.45Å; D246-G249 PolarHBondContact O-N 2.98Å; D246-G249 PolarHBondContact OD1-N 2.94Å; D246-G249 VanDerWaalsContact OD1-N 3.14Å; D246-V250 PolarHBondContact N-O 3.23Å; D246-V250 PolarHBondContact OD1-N 3.17Å; D246-R252 HydrophobicContact CB-CG 4.18Å; D246-R252 VanDerWaalsContact CB-NE 3.34Å; D246-R252 IonicContact OD2-CZ 3.15Å; D246-R252 IonicContact OD2-NE 2.64Å; D246-R252 PolarHBondContact OD2-NE 3.32Å; D246-R252 IonicContact OD2-NH2 4Å; D246-R252 PolarHBondContact OD2-NH2 2.69Å
247V76.6Confident86.4Confident162 Ų16266.6 Ų66.698%0.98237%0.373SS*.THydrogen-bonded Turntrans-60.1-18.8179.8-167.50000112.2
248A74.4Confident86.5Confident84 Ų8466.4 Ų66.469%0.69437%0.372SS*.THydrogen-bonded Turntrans-94.83.3175.900000113.2D246 V250D246-A248 PolarHBondContact O-N 3.08Å; D246-A248 VanDerWaalsContact O-N 3.07Å; D246-A248 WeakPolarHBondContact OD1-CA 3.43Å; D246-A248 WeakPolarHBondContact OD1-CB 3.49Å; D246-A248 PolarHBondContact OD1-N 3.45Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 HydrophobicContact CB-CG2 4.47Å
249G74.4Confident86.6Confident53 Ų5362 Ų6255%0.54635%0.351SS..SBendtrans81.14.9179.500000114.6S245 D246S245-G249 PolarHBondContact OG-O 3.35Å; D246-G249 PolarHBondContact O-N 2.98Å; D246-G249 PolarHBondContact OD1-N 2.94Å; D246-G249 VanDerWaalsContact OD1-N 3.14Å
250V79.1Confident86.7Confident80 Ų8058 Ų5849%0.48534%0.335SS..  trans-81.1127.6-179.3-177.30000109.3S245 D246 A248 R252S245-V250 CarbonylContact C-O 3.5Å; S245-V250 WeakPolarHBondContact CA-O 3.26Å; S245-V250 WeakPolarHBondContact CB-O 3.33Å; D246-V250 PolarHBondContact N-O 3.23Å; D246-V250 PolarHBondContact OD1-N 3.17Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 HydrophobicContact CB-CG2 4.47Å; V250-R252 PolarHBondContact O-N 2.61Å
251P83.8Confident86.5Confident34 Ų3458.5 Ų58.522%0.22134%0.34CS..EExtended strand (participates in β ladder)trans-62.5127.7177.331-40.2000110.7V243 K294 V318V243-P251 HydrophobicContact CG1-CB 3.68Å; P251-K294 HydrophobicContact CB-CD 3.67Å; P251-K294 VanDerWaalsContact CB-NZ 3.29Å; P251-K294 HydrophobicContact CG-CD 3.8Å; P251-V318 HydrophobicContact CB-CG1 4.43Å; P251-V318 HydrophobicContact CB-CG2 4.34Å; P251-V318 HydrophobicContact CG-CG1 4.41Å
252R86.1Confident86.3Confident164 Ų16462.1 Ų62.162%0.61935%0.352SS*.EExtended strand (participates in β ladder)trans-114-32.5178-71.1-161.8-179.11794.7113.7K244 D246 V250 A317 V318K244-R252 PolarHBondContact O-N 2.96Å; D246-R252 HydrophobicContact CB-CG 4.18Å; D246-R252 VanDerWaalsContact CB-NE 3.34Å; D246-R252 IonicContact OD2-CZ 3.15Å; D246-R252 IonicContact OD2-NE 2.64Å; D246-R252 PolarHBondContact OD2-NE 3.32Å; D246-R252 IonicContact OD2-NH2 4Å; D246-R252 PolarHBondContact OD2-NH2 2.69Å; V250-R252 PolarHBondContact O-N 2.61Å; R252-A317 WeakPolarHBondContact O-CA 3.21Å; R252-V318 PolarHBondContact O-N 3.38Å
253S88.9Confident86.2Confident25 Ų2557 Ų5718%0.17533%0.328CS..EExtended strand (participates in β ladder)trans-150.9148.6-179.760.50000112.2K244 A316K244-S253 PolarHBondContact N-O 3.47Å; K244-S253 PolarHBondContact O-N 3.39Å; S253-A316 CarbonylContact C-O 3.6Å; S253-A316 WeakPolarHBondContact CA-O 3.24Å; S253-A316 WeakPolarHBondContact CB-O 3.49Å
254V91.3Very high85.6Confident2 Ų263.7 Ų63.71%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-98.7131.8167.6-177.50000108.1V241 V243 F292 P293 V296 T315 A316 V318V241-V254 HydrophobicContact CG1-CG1 3.9Å; V243-V254 HydrophobicContact CG2-CG2 4.43Å; V254-F292 HydrophobicContact CG1-CD1 3.91Å; V254-F292 HydrophobicContact CG1-CE1 4.33Å; V254-P293 HydrophobicContact CG1-CG 4.49Å; V254-V296 HydrophobicContact CB-CG1 3.98Å; V254-V296 HydrophobicContact CG2-CG1 3.66Å; V254-T315 WeakPolarHBondContact O-CA 3.31Å; V254-A316 PolarHBondContact N-O 3.4Å; V254-A316 PolarHBondContact O-N 2.87Å; V254-V318 HydrophobicContact CG2-CG2 3.77Å
255E91.8Very high85.4Confident39 Ų3960.8 Ų60.818%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-116.5119.8172.2-173.5169.7144.600109.7V241 E242 K244 T313 L314V241-E255 WeakPolarHBondContact CA-O 3.44Å; E242-E255 PolarHBondContact N-O 3.17Å; E242-E255 PolarHBondContact O-N 2.91Å; K244-E255 WeakPolarHBondContact CE-OE2 3.48Å; K244-E255 IonicContact NZ-OE2 3.2Å; K244-E255 PolarHBondContact NZ-OE2 3.24Å; E255-T313 HydrophobicContact CG-CG2 3.88Å; E255-L314 CarbonylContact C-O 3.59Å; E255-L314 WeakPolarHBondContact CA-O 3.34Å
256L91.7Very high84.9Confident5 Ų560.7 Ų60.73%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-105.7124.2172.1165.367.4000108.5Y239 V241 V258 V278 L290 T313 L314Y239-L256 HydrophobicContact CD2-CD1 4.13Å; Y239-L256 HydrophobicContact CG-CD1 4.41Å; V241-L256 HydrophobicContact CG2-CD1 3.55Å; L256-V258 HydrophobicContact CD1-CG2 3.79Å; L256-V258 HydrophobicContact CD2-CG2 3.99Å; L256-V258 HydrophobicContact CG-CG2 3.75Å; L256-V278 HydrophobicContact CD2-CG1 3.63Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; L256-L290 HydrophobicContact CD1-CD2 3.92Å; L256-L290 HydrophobicContact CD2-CD2 4.33Å; L256-T313 CarbonylContact O-C 3.42Å; L256-T313 WeakPolarHBondContact O-CA 3.2Å; L256-L314 HydrophobicContact CB-CB 4.21Å; L256-L314 HydrophobicContact CD2-CD2 4.22Å; L256-L314 PolarHBondContact N-O 3.1Å; L256-L314 PolarHBondContact O-N 3.11Å
257T92.2Very high84.9Confident28 Ų2864.4 Ų64.417%0.17236%0.361CS..EExtended strand (participates in β ladder)trans-114.1124.1174-660000109.5Y239 V240 R311 L312Y239-T257 CarbonylContact C-O 3.56Å; Y239-T257 WeakPolarHBondContact CA-O 3.27Å; Y239-T257 WeakPolarHBondContact CB-O 3.23Å; V240-T257 PolarHBondContact N-O 2.98Å; V240-T257 PolarHBondContact O-N 3.33Å; T257-R311 HydrophobicContact CG2-CG 3.72Å; T257-L312 CarbonylContact C-O 3.58Å; T257-L312 WeakPolarHBondContact CA-O 3.46Å
258V93.1Very high85.2Confident2 Ų260.7 Ų60.71%0.01233%0.333CS..EExtended strand (participates in β ladder)trans-123124.4-178.4-169.30000110P237 L256 L260 L280 L288 R311 L312P237-V258 HydrophobicContact CB-CG1 3.54Å; P237-V258 HydrophobicContact CG-CG1 3.51Å; L256-V258 HydrophobicContact CD1-CG2 3.79Å; L256-V258 HydrophobicContact CD2-CG2 3.99Å; L256-V258 HydrophobicContact CG-CG2 3.75Å; V258-L260 HydrophobicContact CG1-CD2 3.84Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; V258-L280 HydrophobicContact CB-CD2 4.4Å; V258-L280 HydrophobicContact CG1-CD2 3.93Å; V258-L280 HydrophobicContact CG2-CD2 4.46Å; V258-L288 HydrophobicContact CG1-CD2 4.22Å; V258-L288 HydrophobicContact CG2-CD2 3.8Å; V258-R311 WeakPolarHBondContact O-CA 3.44Å; V258-R311 WeakPolarHBondContact O-CG 3.48Å; V258-L312 HydrophobicContact CB-CB 4.4Å; V258-L312 PolarHBondContact N-O 3.04Å; V258-L312 PolarHBondContact O-N 3.49Å
259E91.9Very high85.8Confident61 Ų6157.5 Ų57.529%0.28531%0.306SS..EExtended strand (participates in β ladder)trans-85.8121.1176.2-63.6-68.3173.600110.1E238 P261 R311E238-E259 HydrophobicContact CB-CB 4.47Å; E238-E259 PolarHBondContact O-N 3.37Å; E259-P261 VanDerWaalsContact C-CD 3.44Å; E259-P261 WeakPolarHBondContact O-CD 3.41Å; E259-R311 VanDerWaalsContact CD-CD 3.4Å; E259-R311 WeakPolarHBondContact OE1-CD 3.47Å; E259-R311 IonicContact OE1-CZ 3.87Å; E259-R311 IonicContact OE1-NE 2.76Å; E259-R311 IonicContact OE1-NH1 3.04Å; E259-R311 PolarHBondContact OE1-NH1 2.93Å
260L90.8Very high86.6Confident0 Ų060.5 Ų60.50%031%0.306CS..  trans-127.961.3-172.3-62.4172.9000111.3P237 V258 K262 V263 L280 Y286 F305 R310 L312P237-L260 HydrophobicContact CB-CD2 3.9Å; P237-L260 HydrophobicContact CG-CD2 4.38Å; V258-L260 HydrophobicContact CG1-CD2 3.84Å; V258-L260 HydrophobicContact CG1-CG 4.05Å; L260-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact O-N 3.08Å; L260-V263 HydrophobicContact CB-CB 3.97Å; L260-V263 HydrophobicContact CB-CG2 3.8Å; L260-V263 HydrophobicContact CD1-CG2 4.35Å; L260-V263 HydrophobicContact CD2-CG2 4.42Å; L260-V263 HydrophobicContact CG-CG2 4.43Å; L260-V263 PolarHBondContact O-N 2.77Å; L260-L280 HydrophobicContact CD1-CD2 4.05Å; L260-L280 HydrophobicContact CD2-CD2 4Å; L260-Y286 HydrophobicContact CB-CE2 4.36Å; L260-Y286 HydrophobicContact CD2-CD1 4.49Å; L260-Y286 HydrophobicContact CD2-CD2 3.54Å; L260-Y286 HydrophobicContact CD2-CE2 3.91Å; L260-Y286 HydrophobicContact CD2-CG 3.89Å; L260-F305 HydrophobicContact CB-CE2 4.37Å; L260-F305 HydrophobicContact CD1-CE2 4.29Å; L260-R310 CarbonylContact C-O 3.5Å; L260-R310 VanDerWaalsContact C-O 3.3Å; L260-R310 WeakPolarHBondContact CA-O 3.36Å; L260-R310 PolarHBondContact N-O 3.02Å; L260-L312 HydrophobicContact CD1-CB 3.86Å; L260-L312 HydrophobicContact CD1-CD2 4.48Å
261P86.6Confident87.1Confident89 Ų8959 Ų5958%0.57830%0.295SS*.THydrogen-bonded Turntrans-58.9-27.4-173.222.4-33.7000113.9E259 Y286E259-P261 VanDerWaalsContact C-CD 3.44Å; E259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-Y286 VanDerWaalsContact CD-OH 3.27Å; P261-Y286 WeakPolarHBondContact CD-OH 3.43Å; P261-Y286 WeakPolarHBondContact CG-OH 3.31Å
262K85.2Confident87.5Confident119 Ų11964.7 Ų64.752%0.51731%0.312SS..THydrogen-bonded Turntrans-84.4-11.4-179.8-60173.1-175.1169.20114L260 V285 Y286L260-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact O-N 3.08Å; K262-V285 HydrophobicContact CB-CG1 3.6Å; K262-V285 HydrophobicContact CD-CG1 3.72Å; K262-V285 HydrophobicContact CG-CG1 4.31Å; K262-Y286 HydrophobicContact CB-CE2 3.84Å; K262-Y286 HydrophobicContact CD-CE2 4.41Å; K262-Y286 HydrophobicContact CG-CE2 4.38Å; K262-Y286 WeakPolarHBondContact CG-OH 3.39Å
263V86.6Confident87.7Confident0 Ų058.6 Ų58.60%029%0.293CS..  trans-89.2126.3-175.5174.80000111.6L260 S265 E268 V282 Y286 F305 R310L260-V263 HydrophobicContact CB-CB 3.97Å; L260-V263 HydrophobicContact CB-CG2 3.8Å; L260-V263 HydrophobicContact CD1-CG2 4.35Å; L260-V263 HydrophobicContact CD2-CG2 4.42Å; L260-V263 HydrophobicContact CG-CG2 4.43Å; L260-V263 PolarHBondContact O-N 2.77Å; V263-S265 VanDerWaalsContact CG1-O 3.3Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å; V263-E268 HydrophobicContact CG1-CB 4.46Å; V263-V282 HydrophobicContact CG2-CG1 4Å; V263-V282 HydrophobicContact CG2-CG2 3.92Å; V263-Y286 HydrophobicContact CG2-CD2 3.96Å; V263-Y286 HydrophobicContact CG2-CE2 4.11Å; V263-F305 HydrophobicContact CB-CZ 4.31Å; V263-F305 HydrophobicContact CG1-CE2 4.32Å; V263-F305 HydrophobicContact CG1-CZ 3.97Å; V263-R310 WeakPolarHBondContact O-CD 3.33Å; V263-R310 PolarHBondContact O-NE 3.15Å; V263-R310 PolarHBondContact O-NH1 2.96Å
264R77.9Confident87.8Confident190 Ų19059.5 Ų59.572%0.71730%0.299SS*.  trans-93.1-32.6-177.4-68.2-173.9179.8-174.62.2113.5E268 R310R264-E268 WeakPolarHBondContact CB-OE1 3.47Å; R264-E268 PolarHBondContact N-OE2 3.38Å; R264-R310 PolarHBondContact O-NH1 3.39Å
265S81.3Confident87.6Confident34 Ų3464.8 Ų64.824%0.23832%0.322CS..  trans-143.2153.4-177.5-170.50000112.2V263 S267 E268V263-S265 VanDerWaalsContact CG1-O 3.3Å; V263-S265 WeakPolarHBondContact CG1-O 3.43Å; S265-S267 PolarHBondContact O-N 2.97Å; S265-S267 PolarHBondContact OG-N 2.95Å; S265-S267 PolarHBondContact OG-OG 3.25Å; S265-E268 WeakPolarHBondContact CB-OE1 3.45Å; S265-E268 PolarHBondContact N-OE1 3.05Å; S265-E268 WeakPolarHBondContact O-CB 3.32Å; S265-E268 PolarHBondContact O-N 3.38Å; S265-E268 VanDerWaalsContact O-N 3.16Å
266M78.4Confident87.5Confident66 Ų6669.5 Ų69.533%0.32534%0.344SS..G310 helixtrans-64.1-22172-86.6-63.2-76.900113.7E268 C269 F305 L312M266-E268 PolarHBondContact O-N 3.39Å; M266-C269 PolarHBondContact O-N 3.45Å; M266-C269 HydrophobicContact SD-CB 4.3Å; M266-F305 HydrophobicContact CG-CB 3.21Å; M266-F305 HydrophobicContact CG-CD1 3.9Å; M266-F305 HydrophobicContact CG-CG 3.69Å; M266-F305 HydrophobicContact SD-CB 3.37Å; M266-F305 WeakPolarHBondContact SD-CB 3.4Å; M266-F305 HydrophobicContact SD-CD1 4.5Å; M266-F305 HydrophobicContact SD-CD2 4.16Å; M266-F305 HydrophobicContact SD-CG 3.8Å; M266-L312 HydrophobicContact CE-CD1 3.88Å; M266-L312 HydrophobicContact SD-CD1 3.81Å
267S81.9Confident87.4Confident115 Ų11571.8 Ų71.880%0.80436%0.356SS*.G310 helixtrans-63.2-18.6175.3-48.30000112.9S265S265-S267 PolarHBondContact O-N 2.97Å; S265-S267 PolarHBondContact OG-N 2.95Å; S265-S267 PolarHBondContact OG-OG 3.25Å
268E82.6Confident87.4Confident84 Ų8470.5 Ų70.539%0.39335%0.348SS..G310 helixtrans-86-9.2177-62156.9-133.200112.1V263 R264 S265 M266 V282V263-E268 HydrophobicContact CG1-CB 4.46Å; R264-E268 WeakPolarHBondContact CB-OE1 3.47Å; R264-E268 PolarHBondContact N-OE2 3.38Å; S265-E268 WeakPolarHBondContact CB-OE1 3.45Å; S265-E268 PolarHBondContact N-OE1 3.05Å; S265-E268 WeakPolarHBondContact O-CB 3.32Å; S265-E268 PolarHBondContact O-N 3.38Å; S265-E268 VanDerWaalsContact O-N 3.16Å; M266-E268 PolarHBondContact O-N 3.39Å; E268-V282 HydrophobicContact CB-CG1 4.48Å
269C85.8Confident87.4Confident17 Ų1772 Ų7212%0.11536%0.356CS..EExtended strand (participates in β ladder)trans-106.3130.7-177.2-60.40000111.3M266 L280 E281 V282M266-C269 PolarHBondContact O-N 3.45Å; M266-C269 HydrophobicContact SD-CB 4.3Å; C269-L280 HydrophobicContact CB-CD1 3.99Å; C269-E281 WeakPolarHBondContact CA-O 3.47Å; C269-V282 HydrophobicContact CB-CG2 4.41Å
270Q90.9Very high87.4Confident116 Ų11669.2 Ų69.254%0.54234%0.343SS..EExtended strand (participates in β ladder)trans-102.4114164.1-62.3-178.339.700108.3L280 E281Q270-L280 WeakPolarHBondContact O-CA 3.41Å; Q270-E281 HydrophobicContact CB-CB 4.35Å; Q270-E281 PolarHBondContact N-O 2.72Å; Q270-E281 PolarHBondContact O-N 3Å
271L91.1Very high87.4Confident50 Ų5072.2 Ų72.226%0.26236%0.357SS..EExtended strand (participates in β ladder)trans-112.6126.3178.2-177.269.1000109.1V273 V278 L279 L280 A303 L312 L314L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 4.28Å; L271-V278 HydrophobicContact CD1-CG2 3.6Å; L271-L279 CarbonylContact C-O 3.51Å; L271-L279 WeakPolarHBondContact CA-O 3.48Å; L271-L280 HydrophobicContact CD1-CB 4.16Å; L271-L280 HydrophobicContact CD1-CD1 4.3Å; L271-A303 HydrophobicContact CD2-CB 3.43Å; L271-A303 VanDerWaalsContact CD2-CB 3.43Å; L271-L312 HydrophobicContact CD1-CD2 4.39Å; L271-L312 HydrophobicContact CD2-CD2 4.41Å; L271-L314 HydrophobicContact CD2-CD1 4.36Å
272R91.4Very high87.5Confident152 Ų15268.4 Ų68.457%0.57433%0.332SS*.EExtended strand (participates in β ladder)trans-124.3132.7172.8-56.9-174.3-174.9-177.25.2108.7V278 L279R272-V278 WeakPolarHBondContact O-CA 3.36Å; R272-V278 WeakPolarHBondContact O-CG2 3.25Å; R272-L279 HydrophobicContact CB-CB 4.36Å; R272-L279 PolarHBondContact N-O 3.05Å; R272-L279 PolarHBondContact O-N 3.44Å
273V90.9Very high87.3Confident36 Ų3671 Ų7122%0.21835%0.346CS..EExtended strand (participates in β ladder)trans-123.4126.4-179.1-176.20000107.3L271 V278 F292 V296 A301 L314L271-V273 HydrophobicContact CD2-CG2 4.49Å; L271-V273 HydrophobicContact CG-CG2 4.28Å; V273-V278 HydrophobicContact CG2-CG2 4.17Å; V273-F292 HydrophobicContact CG1-CE2 3.87Å; V273-F292 HydrophobicContact CG1-CZ 3.98Å; V273-V296 HydrophobicContact CG1-CG2 4.5Å; V273-A301 HydrophobicContact CB-CB 4.34Å; V273-A301 HydrophobicContact CG1-CB 3.96Å; V273-A301 HydrophobicContact CG2-CB 4.44Å; V273-L314 HydrophobicContact CG2-CD1 3.98Å; V273-L314 HydrophobicContact CG2-CD2 3.88Å
274S89.6Confident87Confident44 Ų4477.8 Ų77.831%0.30838%0.383SS..  trans-114.3175.6172-36.50000109.6E276 D277 F292 V296 E298S274-E276 PolarHBondContact O-N 3.32Å; S274-D277 WeakPolarHBondContact CB-OD1 3.36Å; S274-D277 PolarHBondContact N-O 2.87Å; S274-D277 PolarHBondContact OG-OD1 3.08Å; S274-F292 WeakPolarHBondContact O-CE2 3.44Å; S274-V296 WeakPolarHBondContact O-CG2 2.96Å; S274-E298 VanDerWaalsContact CA-OE1 3.26Å; S274-E298 WeakPolarHBondContact CA-OE1 3.27Å
275K88Confident87.4Confident114 Ų11470.8 Ų70.850%0.49636%0.361SS..SBendtrans-56.9-32.6175.7-62.9-176.2-173172.80113.7T295 V296 E298 L319K275-T295 CarbonylContact O-C 3.58Å; K275-T295 VanDerWaalsContact O-CA 3.3Å; K275-T295 WeakPolarHBondContact O-CA 3.45Å; K275-V296 PolarHBondContact O-N 3.47Å; K275-E298 HydrophobicContact CG-CG 4.04Å; K275-E298 VanDerWaalsContact CG-OE1 3.28Å; K275-E298 WeakPolarHBondContact CG-OE1 3.45Å; K275-E298 PolarHBondContact N-OE1 2.93Å; K275-L319 HydrophobicContact CD-CD1 4.48Å
276E88.8Confident87.7Confident137 Ų13769.6 Ų69.664%0.6435%0.351SS*.SBendtrans-114.8-19.3-168.2-68.1168-160.600112.6S274 E291 F292 T295S274-E276 PolarHBondContact O-N 3.32Å; E276-E291 CarbonylContact O-C 3.55Å; E276-E291 WeakPolarHBondContact O-CA 3.39Å; E276-F292 PolarHBondContact O-N 3.22Å; E276-T295 HydrophobicContact CG-CG2 4.29Å
277D91.5Very high88.3Confident54 Ų5470.1 Ų70.129%0.28935%0.353SS..EExtended strand (participates in β ladder)trans-146.6168.5-173.565.324.6000114S274 L290 F292S274-D277 WeakPolarHBondContact CB-OD1 3.36Å; S274-D277 PolarHBondContact N-O 2.87Å; S274-D277 PolarHBondContact OG-OD1 3.08Å; D277-L290 CarbonylContact C-O 3.48Å; D277-L290 VanDerWaalsContact CA-O 3.28Å; D277-L290 WeakPolarHBondContact CA-O 3.5Å; D277-F292 WeakPolarHBondContact O-CE2 3.38Å
278V91.6Very high88.7Confident1 Ų164.8 Ų64.81%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-137.2135.1170.855.10000110.4L256 L271 R272 V273 L290 F292 L314L256-V278 HydrophobicContact CD2-CG1 3.63Å; L256-V278 HydrophobicContact CD2-CG2 4.29Å; L271-V278 HydrophobicContact CD1-CG2 3.6Å; R272-V278 WeakPolarHBondContact O-CA 3.36Å; R272-V278 WeakPolarHBondContact O-CG2 3.25Å; V273-V278 HydrophobicContact CG2-CG2 4.17Å; V278-L290 HydrophobicContact CG1-CB 4.03Å; V278-L290 HydrophobicContact CG1-CD2 4.27Å; V278-L290 PolarHBondContact N-O 2.98Å; V278-L290 PolarHBondContact O-N 2.97Å; V278-F292 HydrophobicContact CB-CE1 4.16Å; V278-F292 HydrophobicContact CB-CE2 4.12Å; V278-F292 HydrophobicContact CB-CZ 3.6Å; V278-F292 HydrophobicContact CG1-CD1 4.49Å; V278-F292 HydrophobicContact CG1-CE1 3.75Å; V278-F292 HydrophobicContact CG1-CE2 4.44Å; V278-F292 HydrophobicContact CG1-CZ 3.73Å; V278-L314 HydrophobicContact CB-CD2 4.3Å; V278-L314 HydrophobicContact CG2-CD2 3.76Å
279L92.6Very high89.1Confident32 Ų3266 Ų6617%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-116.6123.8175.5176.666.2000109.7L271 R272 E281 L288 L289L271-L279 CarbonylContact C-O 3.51Å; L271-L279 WeakPolarHBondContact CA-O 3.48Å; R272-L279 HydrophobicContact CB-CB 4.36Å; R272-L279 PolarHBondContact N-O 3.05Å; R272-L279 PolarHBondContact O-N 3.44Å; L279-E281 HydrophobicContact CD1-CG 3.88Å; L279-E281 HydrophobicContact CD2-CG 4.26Å; L279-E281 HydrophobicContact CG-CG 3.94Å; L279-L288 CarbonylContact C-O 3.51Å; L279-L288 WeakPolarHBondContact CA-O 3.44Å; L279-L289 HydrophobicContact CB-CD1 4.26Å; L279-L289 HydrophobicContact CD1-CB 4.2Å; L279-L289 HydrophobicContact CD1-CD1 4.33Å
280L91.8Very high89.3Confident3 Ų366.3 Ų66.32%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-119121.4171.4172.370000109.8V258 L260 C269 Q270 L271 L288 L312V258-L280 HydrophobicContact CB-CD2 4.4Å; V258-L280 HydrophobicContact CG1-CD2 3.93Å; V258-L280 HydrophobicContact CG2-CD2 4.46Å; L260-L280 HydrophobicContact CD1-CD2 4.05Å; L260-L280 HydrophobicContact CD2-CD2 4Å; C269-L280 HydrophobicContact CB-CD1 3.99Å; Q270-L280 WeakPolarHBondContact O-CA 3.41Å; L271-L280 HydrophobicContact CD1-CB 4.16Å; L271-L280 HydrophobicContact CD1-CD1 4.3Å; L280-L288 HydrophobicContact CB-CB 4.26Å; L280-L288 PolarHBondContact N-O 2.94Å; L280-L288 PolarHBondContact O-N 3.08Å; L280-L312 HydrophobicContact CD1-CD2 3.97Å; L280-L312 HydrophobicContact CD2-CD2 4.11Å
281E91.1Very high89.1Confident64 Ų6468.5 Ų68.530%0.29933%0.334SS..EExtended strand (participates in β ladder)trans-123.7132.2178.6-61.8-178.5121.100110.9C269 Q270 L279 H287C269-E281 WeakPolarHBondContact CA-O 3.47Å; Q270-E281 HydrophobicContact CB-CB 4.35Å; Q270-E281 PolarHBondContact N-O 2.72Å; Q270-E281 PolarHBondContact O-N 3Å; L279-E281 HydrophobicContact CD1-CG 3.88Å; L279-E281 HydrophobicContact CD2-CG 4.26Å; L279-E281 HydrophobicContact CG-CG 3.94Å; E281-H287 IonicContact OE1-CE1 2.56Å; E281-H287 IonicContact OE1-ND1 2.89Å
282V87.9Confident89Confident8 Ų867 Ų675%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-128.8116.2169.6-175.70000106.6V263 E268 C269 D284 V285 Y286V263-V282 HydrophobicContact CG2-CG1 4Å; V263-V282 HydrophobicContact CG2-CG2 3.92Å; E268-V282 HydrophobicContact CB-CG1 4.48Å; C269-V282 HydrophobicContact CB-CG2 4.41Å; V282-D284 PolarHBondContact O-N 3.36Å; V282-V285 HydrophobicContact CB-CB 4.19Å; V282-V285 HydrophobicContact CG1-CB 3.76Å; V282-V285 HydrophobicContact CG1-CG1 4.48Å; V282-V285 HydrophobicContact CG1-CG2 4.16Å; V282-V285 PolarHBondContact O-N 2.86Å; V282-Y286 HydrophobicContact CB-CD2 4.49Å; V282-Y286 HydrophobicContact CG2-CD2 4.39Å; V282-Y286 PolarHBondContact N-O 2.68Å; V282-Y286 PolarHBondContact O-N 3.46Å; V282-Y286 VanDerWaalsContact O-N 3.1Å
283E82.3Confident88.7Confident173 Ų17363.5 Ų63.581%0.80832%0.323SS*.THydrogen-bonded Turntrans-48.1120.4-174.1-170.9172.3-163.200111.4V285E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 3.31Å
284D78.8Confident88.4Confident144 Ų14465.8 Ų65.877%0.7733%0.329SS*.THydrogen-bonded Turntrans55.513.7-178.8-60.6-33.5000116.7V282V282-D284 PolarHBondContact O-N 3.36Å
285V86.5Confident88.3Confident42 Ų4266.8 Ų66.826%0.25533%0.334SS..THydrogen-bonded Turntrans-123.5-56-177.2-173.60000113.2Q235 K262 V282 E283Q235-V285 PolarHBondContact N-O 2.64Å; K262-V285 HydrophobicContact CB-CG1 3.6Å; K262-V285 HydrophobicContact CD-CG1 3.72Å; K262-V285 HydrophobicContact CG-CG1 4.31Å; V282-V285 HydrophobicContact CB-CB 4.19Å; V282-V285 HydrophobicContact CG1-CB 3.76Å; V282-V285 HydrophobicContact CG1-CG1 4.48Å; V282-V285 HydrophobicContact CG1-CG2 4.16Å; V282-V285 PolarHBondContact O-N 2.86Å; E283-V285 WeakPolarHBondContact O-CG2 3.38Å; E283-V285 PolarHBondContact O-N 3.31Å
286Y88.8Confident88.4Confident9 Ų961.4 Ų61.44%0.03531%0.31CS..EExtended strand (participates in β ladder)trans-137.5140.7-175.1-67.2-67.3000112.1Q235 P237 L260 P261 K262 V263 V282Q235-Y286 HydrophobicContact CB-CD1 4.25Å; Q235-Y286 HydrophobicContact CB-CE1 4.33Å; Q235-Y286 VanDerWaalsContact O-CA 3.27Å; Q235-Y286 WeakPolarHBondContact O-CA 3.38Å; Q235-Y286 WeakPolarHBondContact O-CD1 3.36Å; P237-Y286 HydrophobicContact CB-CD1 3.67Å; P237-Y286 HydrophobicContact CB-CE1 4.01Å; P237-Y286 HydrophobicContact CB-CG 4.25Å; P237-Y286 HydrophobicContact CG-CD1 4.27Å; L260-Y286 HydrophobicContact CB-CE2 4.36Å; L260-Y286 HydrophobicContact CD2-CD1 4.49Å; L260-Y286 HydrophobicContact CD2-CD2 3.54Å; L260-Y286 HydrophobicContact CD2-CE2 3.91Å; L260-Y286 HydrophobicContact CD2-CG 3.89Å; P261-Y286 VanDerWaalsContact CD-OH 3.27Å; P261-Y286 WeakPolarHBondContact CD-OH 3.43Å; P261-Y286 WeakPolarHBondContact CG-OH 3.31Å; K262-Y286 HydrophobicContact CB-CE2 3.84Å; K262-Y286 HydrophobicContact CD-CE2 4.41Å; K262-Y286 HydrophobicContact CG-CE2 4.38Å; K262-Y286 WeakPolarHBondContact CG-OH 3.39Å; V263-Y286 HydrophobicContact CG2-CD2 3.96Å; V263-Y286 HydrophobicContact CG2-CE2 4.11Å; V282-Y286 HydrophobicContact CB-CD2 4.49Å; V282-Y286 HydrophobicContact CG2-CD2 4.39Å; V282-Y286 PolarHBondContact N-O 2.68Å; V282-Y286 PolarHBondContact O-N 3.46Å; V282-Y286 VanDerWaalsContact O-N 3.1Å
287H90.3Very high88.4Confident78 Ų7857.2 Ų57.236%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-137125.6169-17786.2000109P234 Q235 E281P234-H287 HydrophobicContact CB-CB 3.67Å; P234-H287 HydrophobicContact CG-CB 4.46Å; Q235-H287 PolarHBondContact O-N 3.06Å; Q235-H287 VanDerWaalsContact O-N 3.17Å; E281-H287 IonicContact OE1-CE1 2.56Å; E281-H287 IonicContact OE1-ND1 2.89Å
288L89.9Confident88.2Confident3 Ų358.7 Ų58.72%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-137117.2176.9174.868.5000109E236 P237 Y239 V258 L279 L280 L290E236-L288 HydrophobicContact CG-CD1 4.33Å; P237-L288 HydrophobicContact CG-CB 3.84Å; P237-L288 HydrophobicContact CG-CD2 4.18Å; P237-L288 HydrophobicContact CG-CG 4.45Å; Y239-L288 HydrophobicContact CD1-CD1 3.57Å; Y239-L288 HydrophobicContact CD1-CD2 4.29Å; Y239-L288 HydrophobicContact CE1-CD1 3.56Å; Y239-L288 HydrophobicContact CG-CD1 4.31Å; Y239-L288 HydrophobicContact CG-CD2 4.36Å; V258-L288 HydrophobicContact CG1-CD2 4.22Å; V258-L288 HydrophobicContact CG2-CD2 3.8Å; L279-L288 CarbonylContact C-O 3.51Å; L279-L288 WeakPolarHBondContact CA-O 3.44Å; L280-L288 HydrophobicContact CB-CB 4.26Å; L280-L288 PolarHBondContact N-O 2.94Å; L280-L288 PolarHBondContact O-N 3.08Å; L288-L290 HydrophobicContact CD1-CB 4.39Å; L288-L290 HydrophobicContact CG-CB 4.47Å
289L91.6Very high88.1Confident109 Ų10966 Ų6657%0.57134%0.337SS*.EExtended strand (participates in β ladder)trans-115.3119.716717763.2000107.7L279L279-L289 HydrophobicContact CB-CD1 4.26Å; L279-L289 HydrophobicContact CD1-CB 4.2Å; L279-L289 HydrophobicContact CD1-CD1 4.33Å
290L89.9Confident87.8Confident24 Ų2467.4 Ų67.413%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-136.1130.5-174.5176.778.7000110.4Y239 V241 L256 D277 V278 L288Y239-L290 HydrophobicContact CD2-CD2 4.35Å; Y239-L290 HydrophobicContact CE2-CD1 3.67Å; Y239-L290 HydrophobicContact CE2-CD2 4.2Å; V241-L290 HydrophobicContact CG2-CD2 3.24Å; V241-L290 HydrophobicContact CG2-CG 4.47Å; L256-L290 HydrophobicContact CD1-CD2 3.92Å; L256-L290 HydrophobicContact CD2-CD2 4.33Å; D277-L290 CarbonylContact C-O 3.48Å; D277-L290 VanDerWaalsContact CA-O 3.28Å; D277-L290 WeakPolarHBondContact CA-O 3.5Å; V278-L290 HydrophobicContact CG1-CB 4.03Å; V278-L290 HydrophobicContact CG1-CD2 4.27Å; V278-L290 PolarHBondContact N-O 2.98Å; V278-L290 PolarHBondContact O-N 2.97Å; L288-L290 HydrophobicContact CD1-CB 4.39Å; L288-L290 HydrophobicContact CG-CB 4.47Å
291E87.4Confident87.7Confident161 Ų16168.9 Ų68.975%0.75236%0.36SS*.EExtended strand (participates in β ladder)trans-79.7135.3169.3-63.6-179.5163.500110.7E276E276-E291 CarbonylContact O-C 3.55Å; E276-E291 WeakPolarHBondContact O-CA 3.39Å
292F87.6Confident87.6Confident20 Ų2068.5 Ų68.59%0.08837%0.367CS..  trans-72.4142.4175.9-68.3-59000111.2V254 V273 S274 E276 D277 V278 K294 V296 L314V254-F292 HydrophobicContact CG1-CD1 3.91Å; V254-F292 HydrophobicContact CG1-CE1 4.33Å; V273-F292 HydrophobicContact CG1-CE2 3.87Å; V273-F292 HydrophobicContact CG1-CZ 3.98Å; S274-F292 WeakPolarHBondContact O-CE2 3.44Å; E276-F292 PolarHBondContact O-N 3.22Å; D277-F292 WeakPolarHBondContact O-CE2 3.38Å; V278-F292 HydrophobicContact CB-CE1 4.16Å; V278-F292 HydrophobicContact CB-CE2 4.12Å; V278-F292 HydrophobicContact CB-CZ 3.6Å; V278-F292 HydrophobicContact CG1-CD1 4.49Å; V278-F292 HydrophobicContact CG1-CE1 3.75Å; V278-F292 HydrophobicContact CG1-CE2 4.44Å; V278-F292 HydrophobicContact CG1-CZ 3.73Å; F292-K294 VanDerWaalsContact CB-O 3.24Å; F292-K294 WeakPolarHBondContact CB-O 3.46Å; F292-K294 PolarHBondContact O-N 2.93Å; F292-K294 VanDerWaalsContact O-N 3.17Å; F292-V296 HydrophobicContact CB-CG1 4.42Å; F292-V296 HydrophobicContact CD1-CG1 4.5Å; F292-V296 HydrophobicContact CD2-CB 4.46Å; F292-V296 HydrophobicContact CD2-CG1 4.12Å; F292-V296 HydrophobicContact CD2-CG2 3.5Å; F292-V296 HydrophobicContact CE2-CG1 4.49Å; F292-V296 HydrophobicContact CE2-CG2 3.41Å; F292-V296 VanDerWaalsContact CE2-CG2 3.41Å; F292-V296 HydrophobicContact CG-CG1 4.11Å; F292-V296 HydrophobicContact CG-CG2 4.32Å; F292-V296 HydrophobicContact CZ-CG2 4.17Å; F292-L314 HydrophobicContact CE1-CD2 4.3Å; F292-L314 HydrophobicContact CZ-CD2 3.98Å
293P85.6Confident87.8Confident78 Ų7870.1 Ų70.151%0.50638%0.381SS..SBendtrans-66.8-17.4176.427.7-35.7000113.2V241 V243 V254V241-P293 HydrophobicContact CG1-CG 4.03Å; V243-P293 HydrophobicContact CG2-CB 4.19Å; V243-P293 HydrophobicContact CG2-CG 3.5Å; V254-P293 HydrophobicContact CG1-CG 4.49Å
294K85Confident88.2Confident83 Ų8366.7 Ų66.736%0.36137%0.372SS..SBendtrans-144.3149.8174.7-63.4-170.2-180-177.30109.2V243 P251 F292 V296 V318V243-K294 HydrophobicContact CG1-CD 4.21Å; P251-K294 HydrophobicContact CB-CD 3.67Å; P251-K294 VanDerWaalsContact CB-NZ 3.29Å; P251-K294 HydrophobicContact CG-CD 3.8Å; F292-K294 VanDerWaalsContact CB-O 3.24Å; F292-K294 WeakPolarHBondContact CB-O 3.46Å; F292-K294 PolarHBondContact O-N 2.93Å; F292-K294 VanDerWaalsContact O-N 3.17Å; K294-V296 PolarHBondContact O-N 3.28Å; K294-V318 HydrophobicContact CB-CG1 3.98Å; K294-V318 HydrophobicContact CB-CG2 4.31Å; K294-V318 HydrophobicContact CD-CG1 4.16Å
295T87.9Confident88.8Confident66 Ų6661 Ų6141%0.40534%0.341SS..  trans-60.5128.5174.744.10000111K275 E276 L319K275-T295 CarbonylContact O-C 3.58Å; K275-T295 VanDerWaalsContact O-CA 3.3Å; K275-T295 WeakPolarHBondContact O-CA 3.45Å; E276-T295 HydrophobicContact CG-CG2 4.29Å; T295-L319 PolarHBondContact O-N 3.45Å
296V89.9Confident88.8Confident0 Ų062.2 Ų62.20%035%0.346CS..BIsolated β-bridgetrans-109.2156.1-178.2-59.80000111.9V254 V273 S274 K275 F292 K294 A316 A317 L319V254-V296 HydrophobicContact CB-CG1 3.98Å; V254-V296 HydrophobicContact CG2-CG1 3.66Å; V273-V296 HydrophobicContact CG1-CG2 4.5Å; S274-V296 WeakPolarHBondContact O-CG2 2.96Å; K275-V296 PolarHBondContact O-N 3.47Å; F292-V296 HydrophobicContact CB-CG1 4.42Å; F292-V296 HydrophobicContact CD1-CG1 4.5Å; F292-V296 HydrophobicContact CD2-CB 4.46Å; F292-V296 HydrophobicContact CD2-CG1 4.12Å; F292-V296 HydrophobicContact CD2-CG2 3.5Å; F292-V296 HydrophobicContact CE2-CG1 4.49Å; F292-V296 HydrophobicContact CE2-CG2 3.41Å; F292-V296 VanDerWaalsContact CE2-CG2 3.41Å; F292-V296 HydrophobicContact CG-CG1 4.11Å; F292-V296 HydrophobicContact CG-CG2 4.32Å; F292-V296 HydrophobicContact CZ-CG2 4.17Å; K294-V296 PolarHBondContact O-N 3.28Å; V296-A316 HydrophobicContact CB-CB 3.81Å; V296-A316 HydrophobicContact CG1-CB 4.1Å; V296-A316 HydrophobicContact CG2-CB 4.14Å; V296-A317 CarbonylContact C-O 3.3Å; V296-A317 VanDerWaalsContact CA-O 3.28Å; V296-A317 WeakPolarHBondContact CA-O 3.5Å; V296-L319 VanDerWaalsContact O-CD1 3.31Å; V296-L319 WeakPolarHBondContact O-CD1 3.48Å
297N88.6Confident88.6Confident49 Ų4968.3 Ų68.326%0.26237%0.372SS..  trans-86.8108.5172.8-175.4-19.8000109.9D299 T300 A301 A317 L319N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.2Å; N297-D299 WeakPolarHBondContact OD1-CB 3.37Å; N297-D299 PolarHBondContact OD1-N 2.86Å; N297-T300 HydrophobicContact CB-CG2 4.07Å; N297-T300 PolarHBondContact O-N 3.41Å; N297-T300 PolarHBondContact O-OG1 2.85Å; N297-A301 PolarHBondContact O-N 3.39Å; N297-A317 PolarHBondContact N-O 3.49Å; N297-L319 HydrophobicContact CB-CD2 3.77Å; N297-L319 HydrophobicContact CB-CG 4.02Å
298E87.6Confident88.4Confident86 Ų8674.1 Ų74.140%0.40240%0.396SS..G310 helixtrans-52.6-39.8178.9-64.3175.4-175.500112.8S274 K275 T300 A301S274-E298 VanDerWaalsContact CA-OE1 3.26Å; S274-E298 WeakPolarHBondContact CA-OE1 3.27Å; K275-E298 HydrophobicContact CG-CG 4.04Å; K275-E298 VanDerWaalsContact CG-OE1 3.28Å; K275-E298 WeakPolarHBondContact CG-OE1 3.45Å; K275-E298 PolarHBondContact N-OE1 2.93Å; E298-T300 PolarHBondContact O-N 3.42Å; E298-A301 VanDerWaalsContact O-CB 3.31Å; E298-A301 WeakPolarHBondContact O-CB 3.48Å; E298-A301 PolarHBondContact O-N 3.19Å; E298-A301 VanDerWaalsContact O-N 3.14Å
299D88.1Confident88.2Confident155 Ų15579.8 Ų79.883%0.82942%0.421SS*.G310 helixtrans-68.8-17.6-178-63.1-45.1000112.8N297N297-D299 VanDerWaalsContact C-N 3.25Å; N297-D299 PolarHBondContact O-N 3.2Å; N297-D299 WeakPolarHBondContact OD1-CB 3.37Å; N297-D299 PolarHBondContact OD1-N 2.86Å
300T87.3Confident88.1Confident60 Ų6078.4 Ų78.437%0.36841%0.408SS..G310 helixtrans-99.9-2178.868.70000113.3N297 E298 A302 A317N297-T300 HydrophobicContact CB-CG2 4.07Å; N297-T300 PolarHBondContact O-N 3.41Å; N297-T300 PolarHBondContact O-OG1 2.85Å; E298-T300 PolarHBondContact O-N 3.42Å; T300-A302 PolarHBondContact O-N 3.36Å; T300-A317 HydrophobicContact CG2-CB 4.19Å; T300-A317 VanDerWaalsContact OG1-CB 3.29Å; T300-A317 WeakPolarHBondContact OG1-CB 3.36Å; T300-A317 PolarHBondContact OG1-N 2.95Å
301A89.3Confident88.1Confident35 Ų3580.5 Ų80.529%0.28941%0.414SS..  trans-69.9124.5-177.700000111V273 N297 E298 L314 T315 A316V273-A301 HydrophobicContact CB-CB 4.34Å; V273-A301 HydrophobicContact CG1-CB 3.96Å; V273-A301 HydrophobicContact CG2-CB 4.44Å; N297-A301 PolarHBondContact O-N 3.39Å; E298-A301 VanDerWaalsContact O-CB 3.31Å; E298-A301 WeakPolarHBondContact O-CB 3.48Å; E298-A301 PolarHBondContact O-N 3.19Å; E298-A301 VanDerWaalsContact O-N 3.14Å; A301-L314 HydrophobicContact CB-CD1 4.36Å; A301-T315 CarbonylContact C-O 3.6Å; A301-T315 WeakPolarHBondContact CA-O 3.49Å; A301-A316 HydrophobicContact CB-CB 4.1Å
302A89.9Confident88.3Confident56 Ų5673 Ų7346%0.46338%0.379SS..EExtended strand (participates in β ladder)trans-130.2130.9177.600000110.2T300 L314 T315T300-A302 PolarHBondContact O-N 3.36Å; A302-L314 CarbonylContact O-C 3.44Å; A302-L314 WeakPolarHBondContact O-CA 3.36Å; A302-T315 PolarHBondContact N-O 3.42Å; A302-T315 PolarHBondContact O-N 3.03Å
303A91.1Very high88.5Confident41 Ų4173.7 Ų73.734%0.33939%0.385SS..EExtended strand (participates in β ladder)trans-117.813317900000111.2L271 L312 T313 L314L271-A303 HydrophobicContact CD2-CB 3.43Å; L271-A303 VanDerWaalsContact CD2-CB 3.43Å; A303-L312 HydrophobicContact CB-CD1 4.18Å; A303-T313 CarbonylContact C-O 3.59Å; A303-T313 WeakPolarHBondContact CA-O 3.44Å; A303-L314 HydrophobicContact CB-CD1 4.08Å
304V90.8Very high88.9Confident101 Ų10170.2 Ų70.261%0.61236%0.363SS*.EExtended strand (participates in β ladder)trans-128124.6-179.3-177.90000109.5T313V304-T313 PolarHBondContact N-O 3.15Å; V304-T313 PolarHBondContact O-N 2.86Å
305F90.8Very high89.2Confident26 Ų2668.8 Ų68.811%0.11436%0.361CS..EExtended strand (participates in β ladder)trans-104.1121.1176.1-177.8-107.8000112.3L260 V263 M266 K307 R311 L312L260-F305 HydrophobicContact CB-CE2 4.37Å; L260-F305 HydrophobicContact CD1-CE2 4.29Å; V263-F305 HydrophobicContact CB-CZ 4.31Å; V263-F305 HydrophobicContact CG1-CE2 4.32Å; V263-F305 HydrophobicContact CG1-CZ 3.97Å; M266-F305 HydrophobicContact CG-CB 3.21Å; M266-F305 HydrophobicContact CG-CD1 3.9Å; M266-F305 HydrophobicContact CG-CG 3.69Å; M266-F305 HydrophobicContact SD-CB 3.37Å; M266-F305 WeakPolarHBondContact SD-CB 3.4Å; M266-F305 HydrophobicContact SD-CD1 4.5Å; M266-F305 HydrophobicContact SD-CD2 4.16Å; M266-F305 HydrophobicContact SD-CG 3.8Å; F305-K307 HydrophobicContact CD1-CG 3.92Å; F305-K307 HydrophobicContact CE1-CB 4.46Å; F305-K307 HydrophobicContact CE1-CG 3.95Å; F305-K307 PolarHBondContact O-N 2.88Å; F305-R311 CarbonylContact C-O 3.41Å; F305-R311 WeakPolarHBondContact CA-O 3.31Å; F305-R311 WeakPolarHBondContact CD2-O 3.14Å; F305-L312 HydrophobicContact CB-CD1 4.17Å; F305-L312 HydrophobicContact CD2-CB 4.25Å
306N87.9Confident89.4Confident67 Ų6765.8 Ų65.836%0.35834%0.342SS..EExtended strand (participates in β ladder)trans-88.9100.8174.9-169.1-43.9000110.4K308 K309 R310 R311N306-K308 PolarHBondContact O-N 3.21Å; N306-K308 WeakPolarHBondContact OD1-CB 3.27Å; N306-K308 PolarHBondContact OD1-N 2.89Å; N306-K309 HydrophobicContact CB-CB 4.19Å; N306-K309 CarbonylContact O-C 3.59Å; N306-K309 PolarHBondContact O-N 3.09Å; N306-K309 PolarHBondContact OD1-N 2.9Å; N306-R310 WeakPolarHBondContact O-CA 3.44Å; N306-R310 PolarHBondContact O-N 3.42Å; N306-R311 PolarHBondContact N-O 2.89Å; N306-R311 PolarHBondContact O-N 3.36Å
307K84.9Confident89.4Confident136 Ų13667.5 Ų67.559%0.59136%0.356SS*.THydrogen-bonded Turntrans-57.6-31.2179.3-64.7-175.1179.8-176.50114.2F305F305-K307 HydrophobicContact CD1-CG 3.92Å; F305-K307 HydrophobicContact CE1-CB 4.46Å; F305-K307 HydrophobicContact CE1-CG 3.95Å; F305-K307 PolarHBondContact O-N 2.88Å
308K84.3Confident89.4Confident201 Ų20166.4 Ų66.487%0.87435%0.352SS*.THydrogen-bonded Turntrans-75.9-41.5-179.8-66.7-175.8178.3-178.70111.6N306N306-K308 PolarHBondContact O-N 3.21Å; N306-K308 WeakPolarHBondContact OD1-CB 3.27Å; N306-K308 PolarHBondContact OD1-N 2.89Å
309K86.8Confident89.1Confident122 Ų12268.9 Ų68.953%0.5337%0.367SS..THydrogen-bonded Turntrans-88.4-7.1179.2-63.9-171.4177.4-176.20113.5N306 R311N306-K309 HydrophobicContact CB-CB 4.19Å; N306-K309 CarbonylContact O-C 3.59Å; N306-K309 PolarHBondContact O-N 3.09Å; N306-K309 PolarHBondContact OD1-N 2.9Å; K309-R311 VanDerWaalsContact C-N 3.3Å; K309-R311 HydrophobicContact CB-CB 4.18Å; K309-R311 PolarHBondContact O-N 3.2Å
310R88.8Confident89.2Confident79 Ų7964.6 Ų64.630%0.29834%0.344SS..THydrogen-bonded Turntrans53.846.6-175.7-63.5-69.3-178.1-152.7-0.2112.1L260 V263 R264 N306L260-R310 CarbonylContact C-O 3.5Å; L260-R310 VanDerWaalsContact C-O 3.3Å; L260-R310 WeakPolarHBondContact CA-O 3.36Å; L260-R310 PolarHBondContact N-O 3.02Å; V263-R310 WeakPolarHBondContact O-CD 3.33Å; V263-R310 PolarHBondContact O-NE 3.15Å; V263-R310 PolarHBondContact O-NH1 2.96Å; R264-R310 PolarHBondContact O-NH1 3.39Å; N306-R310 WeakPolarHBondContact O-CA 3.44Å; N306-R310 PolarHBondContact O-N 3.42Å
311R90.7Very high89.3Confident69 Ų6964.8 Ų64.826%0.2634%0.342SS..EExtended strand (participates in β ladder)trans-134.2132.5-168.9-172.8160.176.5-156.89.6112.9T257 V258 E259 F305 N306 K309T257-R311 HydrophobicContact CG2-CG 3.72Å; V258-R311 WeakPolarHBondContact O-CA 3.44Å; V258-R311 WeakPolarHBondContact O-CG 3.48Å; E259-R311 VanDerWaalsContact CD-CD 3.4Å; E259-R311 WeakPolarHBondContact OE1-CD 3.47Å; E259-R311 IonicContact OE1-CZ 3.87Å; E259-R311 IonicContact OE1-NE 2.76Å; E259-R311 IonicContact OE1-NH1 3.04Å; E259-R311 PolarHBondContact OE1-NH1 2.93Å; F305-R311 CarbonylContact C-O 3.41Å; F305-R311 WeakPolarHBondContact CA-O 3.31Å; F305-R311 WeakPolarHBondContact CD2-O 3.14Å; N306-R311 PolarHBondContact N-O 2.89Å; N306-R311 PolarHBondContact O-N 3.36Å; K309-R311 VanDerWaalsContact C-N 3.3Å; K309-R311 HydrophobicContact CB-CB 4.18Å; K309-R311 PolarHBondContact O-N 3.2Å
312L91.8Very high89.3Confident3 Ų366.4 Ų66.42%0.01635%0.345CS..EExtended strand (participates in β ladder)trans-97.4130.5171.9-176.566.8000109.3T257 V258 L260 M266 L271 L280 A303 F305T257-L312 CarbonylContact C-O 3.58Å; T257-L312 WeakPolarHBondContact CA-O 3.46Å; V258-L312 HydrophobicContact CB-CB 4.4Å; V258-L312 PolarHBondContact N-O 3.04Å; V258-L312 PolarHBondContact O-N 3.49Å; L260-L312 HydrophobicContact CD1-CB 3.86Å; L260-L312 HydrophobicContact CD1-CD2 4.48Å; M266-L312 HydrophobicContact CE-CD1 3.88Å; M266-L312 HydrophobicContact SD-CD1 3.81Å; L271-L312 HydrophobicContact CD1-CD2 4.39Å; L271-L312 HydrophobicContact CD2-CD2 4.41Å; L280-L312 HydrophobicContact CD1-CD2 3.97Å; L280-L312 HydrophobicContact CD2-CD2 4.11Å; A303-L312 HydrophobicContact CB-CD1 4.18Å; F305-L312 HydrophobicContact CB-CD1 4.17Å; F305-L312 HydrophobicContact CD2-CB 4.25Å
313T92.3Very high89.3Confident35 Ų3567.1 Ų67.122%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-119.9117.8171.4-59.70000108.3E255 L256 A303 V304E255-T313 HydrophobicContact CG-CG2 3.88Å; L256-T313 CarbonylContact O-C 3.42Å; L256-T313 WeakPolarHBondContact O-CA 3.2Å; A303-T313 CarbonylContact C-O 3.59Å; A303-T313 WeakPolarHBondContact CA-O 3.44Å; V304-T313 PolarHBondContact N-O 3.15Å; V304-T313 PolarHBondContact O-N 2.86Å
314L93.1Very high89.1Confident5 Ų568.7 Ų68.73%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-103.5133173.2171.869.2000108.8E255 L256 L271 V273 V278 F292 A301 A302 A303E255-L314 CarbonylContact C-O 3.59Å; E255-L314 WeakPolarHBondContact CA-O 3.34Å; L256-L314 HydrophobicContact CB-CB 4.21Å; L256-L314 HydrophobicContact CD2-CD2 4.22Å; L256-L314 PolarHBondContact N-O 3.1Å; L256-L314 PolarHBondContact O-N 3.11Å; L271-L314 HydrophobicContact CD2-CD1 4.36Å; V273-L314 HydrophobicContact CG2-CD1 3.98Å; V273-L314 HydrophobicContact CG2-CD2 3.88Å; V278-L314 HydrophobicContact CB-CD2 4.3Å; V278-L314 HydrophobicContact CG2-CD2 3.76Å; F292-L314 HydrophobicContact CE1-CD2 4.3Å; F292-L314 HydrophobicContact CZ-CD2 3.98Å; A301-L314 HydrophobicContact CB-CD1 4.36Å; A302-L314 CarbonylContact O-C 3.44Å; A302-L314 WeakPolarHBondContact O-CA 3.36Å; A303-L314 HydrophobicContact CB-CD1 4.08Å
315T91.3Very high89Confident53 Ų5366.5 Ų66.533%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-128.7129.5175.3-53.10000109V254 A301 A302V254-T315 WeakPolarHBondContact O-CA 3.31Å; A301-T315 CarbonylContact C-O 3.6Å; A301-T315 WeakPolarHBondContact CA-O 3.49Å; A302-T315 PolarHBondContact N-O 3.42Å; A302-T315 PolarHBondContact O-N 3.03Å
316A92.4Very high88.9Confident2 Ų269.4 Ų69.42%0.01734%0.335CS..EExtended strand (participates in β ladder)trans-137.1144.4174.800000110.3S253 V254 V296 A301S253-A316 CarbonylContact C-O 3.6Å; S253-A316 WeakPolarHBondContact CA-O 3.24Å; S253-A316 WeakPolarHBondContact CB-O 3.49Å; V254-A316 PolarHBondContact N-O 3.4Å; V254-A316 PolarHBondContact O-N 2.87Å; V296-A316 HydrophobicContact CB-CB 3.81Å; V296-A316 HydrophobicContact CG1-CB 4.1Å; V296-A316 HydrophobicContact CG2-CB 4.14Å; A301-A316 HydrophobicContact CB-CB 4.1Å
317A89.9Confident89Confident36 Ų3669.6 Ų69.630%0.29833%0.333SS..EExtended strand (participates in β ladder)trans-73.5144.7175.500000110.5R252 V296 N297 T300R252-A317 WeakPolarHBondContact O-CA 3.21Å; V296-A317 CarbonylContact C-O 3.3Å; V296-A317 VanDerWaalsContact CA-O 3.28Å; V296-A317 WeakPolarHBondContact CA-O 3.5Å; N297-A317 PolarHBondContact N-O 3.49Å; T300-A317 HydrophobicContact CG2-CB 4.19Å; T300-A317 VanDerWaalsContact OG1-CB 3.29Å; T300-A317 WeakPolarHBondContact OG1-CB 3.36Å; T300-A317 PolarHBondContact OG1-N 2.95Å
318V89.2Confident89.3Confident27 Ų2764.1 Ų64.116%0.16431%0.312CS..BIsolated β-bridgetrans-77.7140.6174.4176.40000109.4P251 R252 V254 K294P251-V318 HydrophobicContact CB-CG1 4.43Å; P251-V318 HydrophobicContact CB-CG2 4.34Å; P251-V318 HydrophobicContact CG-CG1 4.41Å; R252-V318 PolarHBondContact O-N 3.38Å; V254-V318 HydrophobicContact CG2-CG2 3.77Å; K294-V318 HydrophobicContact CB-CG1 3.98Å; K294-V318 HydrophobicContact CB-CG2 4.31Å; K294-V318 HydrophobicContact CD-CG1 4.16Å
319L81.6Confident89.8Confident137 Ų13751.6 Ų51.672%0.71726%0.261SS*.  trans-78.40173.1-75.9170.6000112.5K275 T295 V296 N297K275-L319 HydrophobicContact CD-CD1 4.48Å; T295-L319 PolarHBondContact O-N 3.45Å; V296-L319 VanDerWaalsContact O-CD1 3.31Å; V296-L319 WeakPolarHBondContact O-CD1 3.48Å; N297-L319 HydrophobicContact CB-CD2 3.77Å; N297-L319 HydrophobicContact CB-CG 4.02Å

Retrieved 319 of 319 residues in 563.3 ms (Link to these results)