A0A087WV67_HUMAN Loading...

UBX domain-containing protein 8

Involved in endoplasmic reticulum-associated degradation (ERAD) for misfolded lumenal proteins, possibly by tethering VCP to the endoplasmic reticulum membrane. May play a role in reproduction.

AlphaFold DB , UniProt , Accession A0A087WV67, Species HUMAN (Homo sapiens, Human), Gene UBXN8, Length 270 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
1M42.6Very low50.9Low237 Ų237112.4 Ų112.4100%1.16762%0.619SS**  00.60-74.5-176.7177.600114.7
2A43.8Very low51.7Low89 Ų89114.3 Ų114.374%0.73663%0.626SS**  trans-88.7-9.1-175.900000115.9
3S45.3Very low52.3Low92 Ų92110.4 Ų110.464%0.64361%0.612SS**Hα-helixtrans-85.3-15.1-175590000114.9V7S3-V7 WeakPolarHBondContact O-CG2 3.2Å
4R45.9Very low52.8Low217 Ų217105.6 Ų105.682%0.81959%0.594SS**Hα-helixtrans-83.6-24-177-59.2179.584.4111.5-2.4112.9G8R4-G8 PolarHBondContact O-N 3.09Å
5G48.5Very low53.6Low44 Ų44103.9 Ų103.945%0.45459%0.587SS.*Hα-helixtrans-74.7-38.9179.200000113.5G8 I9G5-G8 PolarHBondContact O-N 2.96Å; G5-I9 WeakPolarHBondContact O-CG1 3.45Å; G5-I9 PolarHBondContact O-N 3.39Å
6V53.1Low54Low86 Ų86101.6 Ų101.652%0.52158%0.577SS.*Hα-helixtrans-68.3-41.9-179179.70000110.9G8 I9 F10V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 2.84Å; V6-I9 PolarHBondContact O-N 2.99Å; V6-F10 HydrophobicContact CG1-CD2 4.01Å; V6-F10 HydrophobicContact CG1-CE2 3.81Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3Å
7V52.8Low54.5Low80 Ų80102.5 Ų102.549%0.48558%0.579SS.*Hα-helixtrans-62.5-39.8177.3179.60000111.2S3 I9 F10 F11S3-V7 WeakPolarHBondContact O-CG2 3.2Å; V7-I9 PolarHBondContact O-N 3.15Å; V7-F10 PolarHBondContact O-N 2.99Å; V7-F11 HydrophobicContact CG1-CD2 3.77Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 VanDerWaalsContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.32Å; V7-F11 PolarHBondContact O-N 3.07Å
8G53.7Low54.9Low30 Ų30101.6 Ų101.631%0.30958%0.576SS.*Hα-helixtrans-63.6-37.9177.200000114.1R4 G5 V6 F11 L12R4-G8 PolarHBondContact O-N 3.09Å; G5-G8 PolarHBondContact O-N 2.96Å; V6-G8 VanDerWaalsContact C-N 3.32Å; V6-G8 PolarHBondContact O-N 2.84Å; G8-F11 PolarHBondContact O-N 3.42Å; G8-L12 WeakPolarHBondContact O-CB 3.2Å; G8-L12 WeakPolarHBondContact O-CD1 3.42Å; G8-L12 PolarHBondContact O-N 3.49Å
9I58.8Low55.2Low121 Ų121100 Ų10062%0.62157%0.571SS**Hα-helixtrans-68.6-37.3179.3-64.1163.4000111.1G5 V6 V7 L12 S13G5-I9 WeakPolarHBondContact O-CG1 3.45Å; G5-I9 PolarHBondContact O-N 3.39Å; V6-I9 PolarHBondContact O-N 2.99Å; V7-I9 PolarHBondContact O-N 3.15Å; I9-L12 PolarHBondContact O-N 3.26Å; I9-S13 PolarHBondContact O-N 2.9Å; I9-S13 PolarHBondContact O-OG 3.27Å
10F57Low55.4Low101 Ų101100.9 Ų100.944%0.44357%0.574SS.*Hα-helixtrans-68.6-38.5176.1-83.2-75.5000113.1V6 V7 L12 S13 A14 L48V6-F10 HydrophobicContact CG1-CD2 4.01Å; V6-F10 HydrophobicContact CG1-CE2 3.81Å; V6-F10 VanDerWaalsContact O-CD2 3.28Å; V6-F10 WeakPolarHBondContact O-CD2 3.37Å; V6-F10 PolarHBondContact O-N 3Å; V7-F10 PolarHBondContact O-N 2.99Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-S13 PolarHBondContact O-N 3.43Å; F10-S13 PolarHBondContact O-OG 3.42Å; F10-S13 VanDerWaalsContact O-OG 3.04Å; F10-A14 WeakPolarHBondContact O-CB 3.46Å; F10-A14 PolarHBondContact O-N 3.22Å; F10-L48 HydrophobicContact CE1-CD1 4.08Å; F10-L48 HydrophobicContact CE1-CD2 3.9Å; F10-L48 HydrophobicContact CE2-CD1 4.48Å; F10-L48 HydrophobicContact CZ-CD1 3.56Å; F10-L48 HydrophobicContact CZ-CD2 3.96Å; F10-L48 HydrophobicContact CZ-CG 4.43Å
11F58.9Low55.5Low139 Ų139100.8 Ų100.861%0.6157%0.568SS**Hα-helixtrans-64.9-40.3172.2-79.8-70.2000111.2V7 G8 S13 A14 V15V7-F11 HydrophobicContact CG1-CD2 3.77Å; V7-F11 HydrophobicContact CG1-CE2 3.5Å; V7-F11 VanDerWaalsContact CG1-CE2 3.5Å; V7-F11 WeakPolarHBondContact O-CD2 3.32Å; V7-F11 PolarHBondContact O-N 3.07Å; G8-F11 PolarHBondContact O-N 3.42Å; F11-S13 VanDerWaalsContact C-N 3.34Å; F11-S13 PolarHBondContact O-N 3.4Å; F11-A14 PolarHBondContact O-N 3.1Å; F11-V15 WeakPolarHBondContact O-CB 3.21Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.97Å
12L59.6Low56.2Low135 Ų13596.2 Ų96.271%0.70755%0.548SS*.Hα-helixtrans-67.3-27176-99.6130.7000114.1G8 I9 F10 P16G8-L12 WeakPolarHBondContact O-CB 3.2Å; G8-L12 WeakPolarHBondContact O-CD1 3.42Å; G8-L12 PolarHBondContact O-N 3.49Å; I9-L12 PolarHBondContact O-N 3.26Å; F10-L12 VanDerWaalsContact C-N 3.34Å; L12-P16 WeakPolarHBondContact O-CD 3.39Å; L12-P16 WeakPolarHBondContact O-CG 3.39Å
13S59.7Low56.7Low64 Ų64102.6 Ų102.645%0.44855%0.553SS.*Hα-helixtrans-85-29174650000113.5I9 F10 F11I9-S13 PolarHBondContact O-N 2.9Å; I9-S13 PolarHBondContact O-OG 3.27Å; F10-S13 PolarHBondContact O-N 3.43Å; F10-S13 PolarHBondContact O-OG 3.42Å; F10-S13 VanDerWaalsContact O-OG 3.04Å; F11-S13 VanDerWaalsContact C-N 3.34Å; F11-S13 PolarHBondContact O-N 3.4Å
14A59.7Low57.1Low43 Ų43107.8 Ų107.836%0.35556%0.558SS.*Hα-helixtrans-78-31.1177.500000112.5F10 F11 L17 V18F10-A14 WeakPolarHBondContact O-CB 3.46Å; F10-A14 PolarHBondContact O-N 3.22Å; F11-A14 PolarHBondContact O-N 3.1Å; A14-L17 PolarHBondContact O-N 3.48Å; A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.29Å
15V64.1Low57.2Low80 Ų80100.4 Ų100.449%0.48555%0.55SS..Hα-helixtrans-60.9-44.3179.9166.10000113F11 L17 V18 C19F11-V15 WeakPolarHBondContact O-CB 3.21Å; F11-V15 WeakPolarHBondContact O-CG2 3.36Å; F11-V15 PolarHBondContact O-N 2.97Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.36Å; V15-V18 PolarHBondContact O-N 3.42Å; V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.81Å; V15-C19 PolarHBondContact O-SG 2.9Å
16P61Low57.7Low67 Ų67106.3 Ų106.344%0.43557%0.569SS.*Hα-helixtrans-64.6-33.9174.9-23.432.6000114L12 L20L12-P16 WeakPolarHBondContact O-CD 3.39Å; L12-P16 WeakPolarHBondContact O-CG 3.39Å; P16-L20 VanDerWaalsContact O-CB 3.27Å; P16-L20 WeakPolarHBondContact O-CB 3.45Å; P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 2.98Å
17L61.4Low57.6Low117 Ų117105.9 Ų105.961%0.61357%0.568SS**Hα-helixtrans-68.5-45.9176.1-92.3147.3000111.1A14 V15 L20 E21A14-L17 PolarHBondContact O-N 3.48Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 2.89Å; L17-E21 WeakPolarHBondContact O-CG 3.21Å; L17-E21 PolarHBondContact O-N 3.35Å; L17-E21 VanDerWaalsContact O-N 3.16Å
18V62.2Low58Low86 Ų86109.9 Ų109.952%0.52159%0.587SS.*Hα-helixtrans-69-37.3177.1174.90000111.4A14 V15 E21 L22A14-V18 WeakPolarHBondContact O-CG2 3.47Å; A14-V18 PolarHBondContact O-N 3.29Å; V15-V18 PolarHBondContact O-N 3.42Å; V18-E21 PolarHBondContact O-N 2.83Å; V18-L22 HydrophobicContact CG1-CD1 4.03Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 2.93Å
19C60.2Low58.2Low72 Ų72113.7 Ų113.749%0.48660%0.599SS.*Hα-helixtrans-70.8-29.1175-71.70000113.2V15 R23V15-C19 WeakPolarHBondContact O-CB 3.39Å; V15-C19 PolarHBondContact O-N 2.81Å; V15-C19 PolarHBondContact O-SG 2.9Å; C19-R23 VanDerWaalsContact O-CB 3.25Å; C19-R23 WeakPolarHBondContact O-CB 3.35Å; C19-R23 PolarHBondContact O-N 2.88Å; C19-R23 VanDerWaalsContact O-N 3.09Å
20L59Low58.7Low118 Ų118109.6 Ų109.662%0.61859%0.587SS**Hα-helixtrans-72-38.4173.5-91.5162.7000112.2P16 L17 R23 R24P16-L20 VanDerWaalsContact O-CB 3.27Å; P16-L20 WeakPolarHBondContact O-CB 3.45Å; P16-L20 WeakPolarHBondContact O-CG 3.38Å; P16-L20 PolarHBondContact O-N 2.98Å; L17-L20 PolarHBondContact O-N 2.89Å; L20-R23 PolarHBondContact O-N 3.47Å; L20-R24 PolarHBondContact O-N 3.16Å
21E59.3Low59.5Low99 Ų99112 Ų11246%0.46360%0.602SS.*Hα-helixtrans-68.1-38.2174.5-67.6-66.9167.300111.7L17 V18L17-E21 WeakPolarHBondContact O-CG 3.21Å; L17-E21 PolarHBondContact O-N 3.35Å; L17-E21 VanDerWaalsContact O-N 3.16Å; V18-E21 PolarHBondContact O-N 2.83Å
22L56.6Low60.3Low141 Ų141113.4 Ų113.474%0.73861%0.609SS**Hα-helixtrans-73.4-25.1175.7-88.1154.9000114V18V18-L22 HydrophobicContact CG1-CD1 4.03Å; V18-L22 WeakPolarHBondContact O-CB 3.43Å; V18-L22 PolarHBondContact O-N 2.93Å
23R54.6Low61.1Low223 Ų223111.7 Ų111.784%0.84260%0.6SS**Hα-helixtrans-87.3-17.8179.9-160.9177-159.8-1514.6113.3C19 L20 G25C19-R23 VanDerWaalsContact O-CB 3.25Å; C19-R23 WeakPolarHBondContact O-CB 3.35Å; C19-R23 PolarHBondContact O-N 2.88Å; C19-R23 VanDerWaalsContact O-N 3.09Å; L20-R23 PolarHBondContact O-N 3.47Å; R23-G25 VanDerWaalsContact C-N 3.32Å; R23-G25 PolarHBondContact O-N 2.96Å; R23-G25 VanDerWaalsContact O-N 3.13Å
24R53.1Low61.9Low200 Ų200115.1 Ų115.176%0.75561%0.607SS**SBendtrans-80.288.2164.6-103.9177.6174.4144.8-1.4107.6L20 I26L20-R24 PolarHBondContact O-N 3.16Å; R24-I26 PolarHBondContact O-N 3.45Å
25G48.4Very low62.9Low62 Ų62119 Ų11964%0.63962%0.621SS**  trans-43.5131.5175.500000111R23 P27R23-G25 VanDerWaalsContact C-N 3.32Å; R23-G25 PolarHBondContact O-N 2.96Å; R23-G25 VanDerWaalsContact O-N 3.13Å; G25-P27 WeakPolarHBondContact O-CD 3.44Å
26I58.5Low63.7Low169 Ų169120.1 Ų120.187%0.86762%0.624SS**  trans-29.7103.1-175.1-54.1156.7000111.4R24R24-I26 PolarHBondContact O-N 3.45Å
27P51.6Low64.7Low76 Ų76120.2 Ų120.249%0.49462%0.62SS.*  trans-100.9139.2154.728.9-11.5000107G25 I29G25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-I29 PolarHBondContact O-N 3.41Å
28D60.7Low65.7Low165 Ų165117.1 Ų117.188%0.88261%0.608SS**  trans-37.393.8178-69.2-48.9000113G30D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 VanDerWaalsContact O-N 3.07Å
29I58.3Low67.1Low110 Ų110114.8 Ų114.856%0.56460%0.601SS**  trans-76.4103.9-176.8-93.6159.1000105.9P27 F34P27-I29 PolarHBondContact O-N 3.41Å; I29-F34 HydrophobicContact CG2-CB 4.28Å
30G69.6Low68.4Low35 Ų35119.5 Ų119.536%0.36161%0.609SS.*  trans-60.1140171.900000109.4D28 K32 D33 F34D28-G30 PolarHBondContact O-N 3.14Å; D28-G30 VanDerWaalsContact O-N 3.07Å; G30-K32 PolarHBondContact O-N 2.68Å; G30-D33 PolarHBondContact O-N 2.84Å; G30-F34 PolarHBondContact O-N 3.11Å
31I73.6Confident69.8Low150 Ų150118.8 Ų118.877%0.76961%0.605SS**Hα-helixtrans-49.7-27.9178.3-61.8161.9000111.9L35I31-L35 WeakPolarHBondContact O-CB 3.44Å; I31-L35 PolarHBondContact O-N 3.35Å
32K75.6Confident71.2Confident170 Ų170119.2 Ų119.274%0.73961%0.61SS**Hα-helixtrans-65.5-40.6176.5-63.1-178.8-179.8179.60113.2G30 L35 L36G30-K32 PolarHBondContact O-N 2.68Å; K32-L35 PolarHBondContact O-N 3.13Å; K32-L36 WeakPolarHBondContact O-CB 3.01Å; K32-L36 PolarHBondContact O-N 3.45Å
33D76.5Confident72.9Confident99 Ų99117.6 Ų117.653%0.52960%0.601SS.*Hα-helixtrans-72.7-35.7179.5-62.9-39.8000110.9G30 L36 L37G30-D33 PolarHBondContact O-N 2.84Å; D33-L36 PolarHBondContact O-N 2.78Å; D33-L37 WeakPolarHBondContact O-CB 3.3Å; D33-L37 PolarHBondContact O-N 3.23Å
34F76.5Confident74.5Confident136 Ų136112.5 Ų112.560%0.59659%0.59SS**Hα-helixtrans-64.1-42.2171.1-172.2-97.8000112I29 G30 L37 C38I29-F34 HydrophobicContact CG2-CB 4.28Å; G30-F34 PolarHBondContact O-N 3.11Å; F34-L37 PolarHBondContact O-N 3.08Å; F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.89Å
35L79.8Confident76.2Confident124 Ų124107.7 Ų107.765%0.64958%0.578SS**Hα-helixtrans-66.1-39.3177.3-165.269.5000111.9I31 K32 G39I31-L35 WeakPolarHBondContact O-CB 3.44Å; I31-L35 PolarHBondContact O-N 3.35Å; K32-L35 PolarHBondContact O-N 3.13Å; L35-G39 PolarHBondContact O-N 3.06Å
36L81.7Confident78.3Confident103 Ų103107.4 Ų107.454%0.53957%0.57SS.*Hα-helixtrans-65.6-41.4174.4-86159.4000112.3K32 D33 G39 R40K32-L36 WeakPolarHBondContact O-CB 3.01Å; K32-L36 PolarHBondContact O-N 3.45Å; D33-L36 PolarHBondContact O-N 2.78Å; L36-G39 PolarHBondContact O-N 3.49Å; L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.02Å; L36-R40 VanDerWaalsContact O-N 3.11Å
37L81.8Confident79.9Confident69 Ų69103.6 Ų103.636%0.36155%0.551SS.*Hα-helixtrans-66.4-45176.8-171.367000111.2D33 F34 G39 R40 I41D33-L37 WeakPolarHBondContact O-CB 3.3Å; D33-L37 PolarHBondContact O-N 3.23Å; F34-L37 PolarHBondContact O-N 3.08Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.02Å; L37-R40 PolarHBondContact O-N 3.11Å; L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.98Å; L37-I41 VanDerWaalsContact O-N 3.08Å
38C82.8Confident81.7Confident52 Ų52102.6 Ų102.635%0.35154%0.541SS..Hα-helixtrans-59-44.9175.1-175.80000111.6F34 R40 I41 L42F34-C38 VanDerWaalsContact O-CB 3.27Å; F34-C38 WeakPolarHBondContact O-CB 3.5Å; F34-C38 PolarHBondContact O-N 2.89Å; C38-R40 VanDerWaalsContact C-N 3.35Å; C38-R40 PolarHBondContact O-N 3.28Å; C38-I41 PolarHBondContact O-N 2.93Å; C38-L42 WeakPolarHBondContact O-CG 3.5Å; C38-L42 PolarHBondContact O-N 2.62Å
39G90.4Very high83.2Confident37 Ų3798.4 Ų98.438%0.38152%0.522SS..Hα-helixtrans-60.3-40.4176.600000113.4L35 L36 L37 L42 L43L35-G39 PolarHBondContact O-N 3.06Å; L36-G39 PolarHBondContact O-N 3.49Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.02Å; G39-L42 PolarHBondContact O-N 3.06Å; G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 PolarHBondContact O-N 3.21Å
40R89.1Confident84.8Confident172 Ų17298.1 Ų98.165%0.64952%0.521SS*.Hα-helixtrans-66.2-40.5176.4-72.8176.8178.8177.21.2112.4L36 L37 C38 L43 L44L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.02Å; L36-R40 VanDerWaalsContact O-N 3.11Å; L37-R40 PolarHBondContact O-N 3.11Å; C38-R40 VanDerWaalsContact C-N 3.35Å; C38-R40 PolarHBondContact O-N 3.28Å; R40-L43 PolarHBondContact O-N 3.26Å; R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.29Å
41I87.1Confident85.5Confident103 Ų103100 Ų10053%0.52853%0.525SS..Hα-helixtrans-64.4-44.4177.3-66165.6000110.5L37 C38 L43 L44 L45L37-I41 HydrophobicContact CG-CD1 4.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.45Å; L37-I41 PolarHBondContact O-N 2.98Å; L37-I41 VanDerWaalsContact O-N 3.08Å; C38-I41 PolarHBondContact O-N 2.93Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.39Å; I41-L44 PolarHBondContact O-N 3.49Å; I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 PolarHBondContact O-N 3.31Å
42L89.1Confident86.2Confident108 Ų10896.9 Ų96.957%0.56551%0.51SS*.Hα-helixtrans-63.6-39.3177-69.9174.4000112.2C38 G39 L45 A46C38-L42 WeakPolarHBondContact O-CG 3.5Å; C38-L42 PolarHBondContact O-N 2.62Å; G39-L42 PolarHBondContact O-N 3.06Å; L42-L45 PolarHBondContact O-N 3.15Å; L42-A46 WeakPolarHBondContact O-CB 3.47Å; L42-A46 PolarHBondContact O-N 3.05Å
43L91.4Very high86.5Confident107 Ų10792.1 Ų92.156%0.5650%0.497SS*.Hα-helixtrans-66.6-40.9177.2-170.1146.9000112G39 R40 I41 L45 A46 L47G39-L43 WeakPolarHBondContact O-CB 3.16Å; G39-L43 PolarHBondContact O-N 3.21Å; R40-L43 PolarHBondContact O-N 3.26Å; I41-L43 VanDerWaalsContact C-N 3.34Å; I41-L43 PolarHBondContact O-N 3.39Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L43-A46 PolarHBondContact O-N 3.23Å; L43-L47 HydrophobicContact CD2-CD1 3.63Å; L43-L47 HydrophobicContact CD2-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.42Å
44L88.8Confident86.9Confident116 Ų11691.4 Ų91.461%0.60750%0.496SS*.Hα-helixtrans-63.8-39173.9-71.6172.8000111.8R40 I41 L47 L48R40-L44 VanDerWaalsContact O-CG 3.31Å; R40-L44 WeakPolarHBondContact O-CG 3.3Å; R40-L44 PolarHBondContact O-N 3.29Å; I41-L44 PolarHBondContact O-N 3.49Å; L44-L47 PolarHBondContact O-N 3.03Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 2.88Å
45L89.3Confident87.1Confident98 Ų9888.4 Ų88.451%0.51349%0.489SS..Hα-helixtrans-67.2-38.8176.7-170.163.6000112I41 L42 L43 L48 T49I41-L45 WeakPolarHBondContact O-CB 3.41Å; I41-L45 PolarHBondContact O-N 3.31Å; L42-L45 PolarHBondContact O-N 3.15Å; L43-L45 VanDerWaalsContact C-N 3.33Å; L45-L48 PolarHBondContact O-N 2.74Å; L45-T49 WeakPolarHBondContact O-CG2 3.3Å; L45-T49 PolarHBondContact O-N 2.83Å; L45-T49 PolarHBondContact O-OG1 3.35Å
46A92.8Very high86.8Confident56 Ų5685.4 Ų85.446%0.46348%0.476SS..Hα-helixtrans-64.8-42.4174.500000112.2L42 L43 T49 L50L42-A46 WeakPolarHBondContact O-CB 3.47Å; L42-A46 PolarHBondContact O-N 3.05Å; L43-A46 PolarHBondContact O-N 3.23Å; A46-T49 WeakPolarHBondContact CA-OG1 3.5Å; A46-T49 PolarHBondContact O-N 3.3Å; A46-T49 PolarHBondContact O-OG1 3.49Å; A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.32Å
47L91.9Very high86.2Confident89 Ų8984.5 Ų84.547%0.46648%0.478SS..Hα-helixtrans-67.3-37.3175.4-73.5171.8000112.2L43 L44 L50 T51L43-L47 HydrophobicContact CD2-CD1 3.63Å; L43-L47 HydrophobicContact CD2-CG 4.36Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.42Å; L44-L47 PolarHBondContact O-N 3.03Å; L47-L50 PolarHBondContact O-N 2.76Å; L47-T51 WeakPolarHBondContact O-CB 3.49Å; L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.2Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.3Å
48L89.4Confident85.6Confident55 Ų5589.4 Ų89.429%0.28849%0.492SS..Hα-helixtrans-65.6-44176.9-175.964.5000111.4F10 L44 L45 T51 I52F10-L48 HydrophobicContact CE1-CD1 4.08Å; F10-L48 HydrophobicContact CE1-CD2 3.9Å; F10-L48 HydrophobicContact CE2-CD1 4.48Å; F10-L48 HydrophobicContact CZ-CD1 3.56Å; F10-L48 HydrophobicContact CZ-CD2 3.96Å; F10-L48 HydrophobicContact CZ-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 2.74Å; L48-T51 WeakPolarHBondContact CA-OG1 3.35Å; L48-T51 PolarHBondContact O-N 2.99Å; L48-T51 PolarHBondContact O-OG1 3.13Å; L48-I52 HydrophobicContact CD1-CD1 4.22Å; L48-I52 HydrophobicContact CG-CD1 3.97Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 3.18Å
49T92.1Very high84.8Confident77 Ų7791.9 Ų91.947%0.47250%0.501SS..Hα-helixtrans-66-38176.9480000112L45 A46 S53L45-T49 WeakPolarHBondContact O-CG2 3.3Å; L45-T49 PolarHBondContact O-N 2.83Å; L45-T49 PolarHBondContact O-OG1 3.35Å; A46-T49 WeakPolarHBondContact CA-OG1 3.5Å; A46-T49 PolarHBondContact O-N 3.3Å; A46-T49 PolarHBondContact O-OG1 3.49Å; T49-S53 WeakPolarHBondContact O-CB 3.31Å; T49-S53 PolarHBondContact O-N 3.42Å; T49-S53 PolarHBondContact O-OG 3.22Å
50L90.7Very high83.4Confident104 Ų10495.1 Ų95.155%0.54551%0.51SS..Hα-helixtrans-64.6-46.2174.1-173.868.9000112.1A46 L47 I52 S53 V54A46-L50 WeakPolarHBondContact O-CB 3.47Å; A46-L50 PolarHBondContact O-N 3.32Å; L47-L50 PolarHBondContact O-N 2.76Å; L50-I52 PolarHBondContact O-N 2.82Å; L50-S53 PolarHBondContact O-N 3.03Å; L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.1Å
51T85Confident82.1Confident74 Ų7491.1 Ų91.145%0.45451%0.508SS..Hα-helixtrans-65.4-39.2178.951.40000111.7L47 L48 T55L47-T51 WeakPolarHBondContact O-CB 3.49Å; L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.2Å; L47-T51 PolarHBondContact O-N 3.45Å; L47-T51 PolarHBondContact O-OG1 3.3Å; L48-T51 WeakPolarHBondContact CA-OG1 3.35Å; L48-T51 PolarHBondContact O-N 2.99Å; L48-T51 PolarHBondContact O-OG1 3.13Å; T51-T55 VanDerWaalsContact O-CB 3.29Å; T51-T55 WeakPolarHBondContact O-CB 3.34Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.45Å; T51-T55 PolarHBondContact O-OG1 3.45Å
52I87.8Confident80.7Confident86 Ų8693.3 Ų93.344%0.44151%0.514SS..Hα-helixtrans-63.5-42.3172.5-66.8165.6000110.7L48 L50 T55 T56L48-I52 HydrophobicContact CD1-CD1 4.22Å; L48-I52 HydrophobicContact CG-CD1 3.97Å; L48-I52 WeakPolarHBondContact O-CB 3.3Å; L48-I52 VanDerWaalsContact O-CG1 3.24Å; L48-I52 WeakPolarHBondContact O-CG1 3.47Å; L48-I52 PolarHBondContact O-N 3.18Å; L50-I52 PolarHBondContact O-N 2.82Å; I52-T55 WeakPolarHBondContact CA-OG1 3.41Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.82Å; I52-T56 HydrophobicContact CG2-CG2 3.95Å; I52-T56 VanDerWaalsContact O-CB 3.24Å; I52-T56 WeakPolarHBondContact O-CB 3.41Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.47Å; I52-T56 PolarHBondContact O-OG1 2.82Å
53S82.8Confident79Confident69 Ų6995.2 Ų95.248%0.48352%0.518SS..Hα-helixtrans-65.6-44.6179.9-590000112.1T49 L50 T56 S57T49-S53 WeakPolarHBondContact O-CB 3.31Å; T49-S53 PolarHBondContact O-N 3.42Å; T49-S53 PolarHBondContact O-OG 3.22Å; L50-S53 PolarHBondContact O-N 3.03Å; S53-T56 PolarHBondContact O-OG1 3.49Å; S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 3.02Å
54V85.6Confident77.2Confident84 Ų8493.6 Ų93.651%0.50952%0.516SS..Hα-helixtrans-66.1-44.3177.6174.90000111L50 W58L50-V54 VanDerWaalsContact O-CG2 3.31Å; L50-V54 WeakPolarHBondContact O-CG2 3.39Å; L50-V54 PolarHBondContact O-N 3.1Å; V54-W58 WeakPolarHBondContact O-CB 3.37Å; V54-W58 PolarHBondContact O-N 3.26Å
55T80.2Confident75.9Confident73 Ų7392.8 Ų92.845%0.44852%0.517SS..Hα-helixtrans-71.2-38.7-179.555.30000112.6T51 I52 W58 L59T51-T55 VanDerWaalsContact O-CB 3.29Å; T51-T55 WeakPolarHBondContact O-CB 3.34Å; T51-T55 WeakPolarHBondContact O-CG2 3.42Å; T51-T55 PolarHBondContact O-N 3.45Å; T51-T55 PolarHBondContact O-OG1 3.45Å; I52-T55 WeakPolarHBondContact CA-OG1 3.41Å; I52-T55 PolarHBondContact O-N 2.92Å; I52-T55 PolarHBondContact O-OG1 2.82Å; T55-W58 PolarHBondContact O-N 3.44Å; T55-L59 VanDerWaalsContact O-CB 3.22Å; T55-L59 WeakPolarHBondContact O-CB 3.36Å; T55-L59 WeakPolarHBondContact O-CD1 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.49Å; T55-L59 PolarHBondContact O-N 3.41Å
56T73.9Confident74.3Confident62 Ų6295.7 Ų95.738%0.3853%0.528SS..Hα-helixtrans-68.6-39.8175.2550000111.9I52 S53 L59 N60I52-T56 HydrophobicContact CG2-CG2 3.95Å; I52-T56 VanDerWaalsContact O-CB 3.24Å; I52-T56 WeakPolarHBondContact O-CB 3.41Å; I52-T56 WeakPolarHBondContact O-CG2 3.11Å; I52-T56 PolarHBondContact O-N 3.47Å; I52-T56 PolarHBondContact O-OG1 2.82Å; S53-T56 PolarHBondContact O-OG1 3.49Å; T56-L59 PolarHBondContact O-N 2.78Å; T56-N60 WeakPolarHBondContact O-CB 3.48Å; T56-N60 PolarHBondContact O-N 3.23Å; T56-N60 PolarHBondContact O-ND2 3.26Å; T56-N60 VanDerWaalsContact O-ND2 3.13Å
57S69.1Low72.5Confident83 Ų8397.8 Ų97.858%0.5854%0.535SS*.Hα-helixtrans-62.2-44.1173.7-172.90000111.8S53 S61S53-S57 WeakPolarHBondContact O-CB 3.4Å; S53-S57 PolarHBondContact O-N 3.02Å; S57-S61 PolarHBondContact O-N 3.37Å; S57-S61 VanDerWaalsContact O-N 3.11Å
58W67.5Low70.9Confident172 Ų172101.7 Ų101.765%0.65255%0.545SS*.Hα-helixtrans-63.6-51.6175.7-170.9-54.5000110.9V54 T55 N60 S61 F62V54-W58 WeakPolarHBondContact O-CB 3.37Å; V54-W58 PolarHBondContact O-N 3.26Å; T55-W58 PolarHBondContact O-N 3.44Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 3.36Å; W58-S61 WeakPolarHBondContact O-CB 3.24Å; W58-S61 PolarHBondContact O-N 3.03Å; W58-S61 PolarHBondContact O-OG 3.08Å; W58-F62 AromaticContact CD1-CD2 3.33Å; W58-F62 AromaticContact CD1-CE2 3.4Å; W58-F62 AromaticContact CE2-CE2 3.84Å; W58-F62 HydrophobicContact CG-CD2 4.47Å; W58-F62 HydrophobicContact CG-CE2 4.45Å; W58-F62 HydrophobicContact CZ2-CE2 4.47Å; W58-F62 AromaticContact NE1-CD2 3.38Å; W58-F62 AromaticContact NE1-CE2 2.92Å; W58-F62 AromaticContact NE1-CZ 3.78Å; W58-F62 WeakPolarHBondContact O-CD2 3.39Å; W58-F62 PolarHBondContact O-N 2.97Å; W58-F62 VanDerWaalsContact O-N 3.16Å
59L66Low69.7Low104 Ų104104.3 Ų104.355%0.54556%0.558SS.*Hα-helixtrans-62.1-35.3179.7-74.4165000112.7T55 T56 S61 F62 K63T55-L59 VanDerWaalsContact O-CB 3.22Å; T55-L59 WeakPolarHBondContact O-CB 3.36Å; T55-L59 WeakPolarHBondContact O-CD1 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.49Å; T55-L59 PolarHBondContact O-N 3.41Å; T56-L59 PolarHBondContact O-N 2.78Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-F62 PolarHBondContact O-N 3.3Å; L59-K63 PolarHBondContact O-N 2.95Å
60N61.3Low68.5Low106 Ų106107.7 Ų107.757%0.56757%0.567SS**Hα-helixtrans-70.8-26.4174.8-72-21.9000112.3T56 W58T56-N60 WeakPolarHBondContact O-CB 3.48Å; T56-N60 PolarHBondContact O-N 3.23Å; T56-N60 PolarHBondContact O-ND2 3.26Å; T56-N60 VanDerWaalsContact O-ND2 3.13Å; W58-N60 VanDerWaalsContact C-N 3.3Å; W58-N60 PolarHBondContact O-N 3.36Å
61S61.3Low67.7Low87 Ų87107.3 Ų107.361%0.60856%0.562SS**Hα-helixtrans-74.2-31.4171.584.20000112.9S57 W58 L59S57-S61 PolarHBondContact O-N 3.37Å; S57-S61 VanDerWaalsContact O-N 3.11Å; W58-S61 WeakPolarHBondContact O-CB 3.24Å; W58-S61 PolarHBondContact O-N 3.03Å; W58-S61 PolarHBondContact O-OG 3.08Å; L59-S61 VanDerWaalsContact C-N 3.31Å
62F59.2Low67.2Low149 Ų149109 Ų10965%0.65457%0.565SS**Hα-helixtrans-79.9-23.3177-86-93.9000113.3W58 L59 S64W58-F62 AromaticContact CD1-CD2 3.33Å; W58-F62 AromaticContact CD1-CE2 3.4Å; W58-F62 AromaticContact CE2-CE2 3.84Å; W58-F62 HydrophobicContact CG-CD2 4.47Å; W58-F62 HydrophobicContact CG-CE2 4.45Å; W58-F62 HydrophobicContact CZ2-CE2 4.47Å; W58-F62 AromaticContact NE1-CD2 3.38Å; W58-F62 AromaticContact NE1-CE2 2.92Å; W58-F62 AromaticContact NE1-CZ 3.78Å; W58-F62 WeakPolarHBondContact O-CD2 3.39Å; W58-F62 PolarHBondContact O-N 2.97Å; W58-F62 VanDerWaalsContact O-N 3.16Å; L59-F62 PolarHBondContact O-N 3.3Å; F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3.32Å
63K52.8Low66.9Low149 Ų149111.3 Ų111.365%0.64857%0.574SS**SBendtrans-77.985.2169.5-74.7-174.4179.4-177.40109.3L59 P65L59-K63 PolarHBondContact O-N 2.95Å; K63-P65 WeakPolarHBondContact O-CD 3.43Å; K63-P65 WeakPolarHBondContact O-CG 3.46Å
64S53.9Low67.1Low73 Ų73112.5 Ų112.551%0.5157%0.572SS.*  trans-60.5109.9165.471.20000108.4F62 Q66F62-S64 VanDerWaalsContact C-N 3.35Å; F62-S64 PolarHBondContact O-N 3.32Å; S64-Q66 PolarHBondContact O-N 2.85Å; S64-Q66 VanDerWaalsContact O-N 3.16Å
65P60.3Low67.2Low98 Ų98113.7 Ų113.764%0.63657%0.57SS**Hα-helixtrans-69.2-17.6-173.7-18.633.9000112.4K63 L69K63-P65 WeakPolarHBondContact O-CD 3.43Å; K63-P65 WeakPolarHBondContact O-CG 3.46Å; P65-L69 WeakPolarHBondContact O-CB 3.47Å; P65-L69 PolarHBondContact O-N 2.93Å
66Q57Low67.7Low160 Ų160114 Ų11475%0.74857%0.569SS**Hα-helixtrans-82.8-28.7-164.5-160.21648.500114.3S64 K70S64-Q66 PolarHBondContact O-N 2.85Å; S64-Q66 VanDerWaalsContact O-N 3.16Å; Q66-K70 VanDerWaalsContact O-CB 3.28Å; Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.4Å
67V55.5Low68.6Low100 Ų100115.4 Ų115.461%0.60657%0.571SS**Hα-helixtrans-80.2-41.5-178.4179.90000111.5E71V67-E71 PolarHBondContact O-N 3.45Å
68Y57.1Low69.9Low171 Ų171117.1 Ų117.167%0.67157%0.568SS**Hα-helixtrans-70.4-42.6-179.9-172-95.9000112.5K70 E71 E72Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; Y68-E71 PolarHBondContact O-N 3.09Å; Y68-E72 PolarHBondContact O-N 3.23Å; Y68-E72 VanDerWaalsContact O-N 3.14Å
69L64.8Low71.1Confident109 Ų109117.9 Ų117.957%0.57157%0.571SS**Hα-helixtrans-61.9-41.9176.5-96165.3000112.2P65 E71 E72 E73P65-L69 WeakPolarHBondContact O-CB 3.47Å; P65-L69 PolarHBondContact O-N 2.93Å; L69-E71 PolarHBondContact O-N 2.93Å; L69-E72 PolarHBondContact O-N 2.95Å; L69-E73 WeakPolarHBondContact O-CB 3.32Å; L69-E73 PolarHBondContact O-N 2.86Å
70K66.3Low72.4Confident149 Ų149116.8 Ų116.865%0.64856%0.563SS**Hα-helixtrans-67-37.4-177.7-165.3173.7-174.7178.50112.2Q66 Y68 E74Q66-K70 VanDerWaalsContact O-CB 3.28Å; Q66-K70 WeakPolarHBondContact O-CB 3.48Å; Q66-K70 PolarHBondContact O-N 3.4Å; Y68-K70 VanDerWaalsContact C-N 3.34Å; Y68-K70 PolarHBondContact O-N 3.06Å; K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.14Å; K70-E74 VanDerWaalsContact O-N 3.08Å
71E73.4Confident74.1Confident95 Ų95117.1 Ų117.144%0.44456%0.56SS.*Hα-helixtrans-70.4-36.3176.6-159-169.1149.900112.1V67 Y68 L69 K75V67-E71 PolarHBondContact O-N 3.45Å; Y68-E71 PolarHBondContact O-N 3.09Å; L69-E71 PolarHBondContact O-N 2.93Å; E71-K75 WeakPolarHBondContact O-CB 3.28Å; E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.47Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.07Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.3Å; E71-K75 PolarHBondContact OE1-NZ 2.83Å
72E76.1Confident75.8Confident110 Ų110117.5 Ų117.551%0.51455%0.554SS.*Hα-helixtrans-70.8-39.8177.1-162.5174.6-165.600111.9Y68 L69 K75 N76Y68-E72 PolarHBondContact O-N 3.23Å; Y68-E72 VanDerWaalsContact O-N 3.14Å; L69-E72 PolarHBondContact O-N 2.95Å; E72-K75 PolarHBondContact O-N 3.44Å; E72-N76 WeakPolarHBondContact O-CB 3.25Å; E72-N76 PolarHBondContact O-N 3.16Å
73E80.8Confident77.6Confident135 Ų135114.8 Ų114.863%0.63155%0.55SS*.Hα-helixtrans-63.1-43.9174.6-169.8174.4-166.700111.6L69 K75 N76 E77L69-E73 WeakPolarHBondContact O-CB 3.32Å; L69-E73 PolarHBondContact O-N 2.86Å; E73-K75 VanDerWaalsContact C-N 3.35Å; E73-K75 PolarHBondContact O-N 2.89Å; E73-N76 WeakPolarHBondContact O-CB 3.08Å; E73-N76 PolarHBondContact O-N 3Å; E73-E77 PolarHBondContact O-N 3.25Å
74E86.2Confident79.6Confident93 Ų93114.6 Ų114.644%0.43555%0.545SS..Hα-helixtrans-64.3-39.6176.3-167.5-170.9158.100111.8K70 E77 K78K70-E74 WeakPolarHBondContact O-CB 3.3Å; K70-E74 PolarHBondContact O-N 3.14Å; K70-E74 VanDerWaalsContact O-N 3.08Å; E74-E77 PolarHBondContact O-N 3.21Å; E74-K78 HydrophobicContact CG-CD 4.48Å; E74-K78 WeakPolarHBondContact O-CB 3.43Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.23Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 WeakPolarHBondContact OE1-CE 3.27Å; E74-K78 IonicContact OE1-NZ 3.89Å; E74-K78 PolarHBondContact OE1-NZ 3.42Å
75K89.1Confident81.7Confident110 Ų110116.9 Ų116.948%0.47855%0.545SS..Hα-helixtrans-65-40.6175.1-79.8169.1173.2163.60111.9E71 E72 E73 R79E71-K75 WeakPolarHBondContact O-CB 3.28Å; E71-K75 VanDerWaalsContact O-CG 3.3Å; E71-K75 WeakPolarHBondContact O-CG 3.47Å; E71-K75 PolarHBondContact O-N 3.19Å; E71-K75 VanDerWaalsContact O-N 3.07Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.3Å; E71-K75 PolarHBondContact OE1-NZ 2.83Å; E72-K75 PolarHBondContact O-N 3.44Å; E73-K75 VanDerWaalsContact C-N 3.35Å; E73-K75 PolarHBondContact O-N 2.89Å; K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.43Å; K75-R79 PolarHBondContact O-N 2.86Å; K75-R79 VanDerWaalsContact O-N 3.08Å
76N90.8Very high83.5Confident80 Ų80118.4 Ų118.443%0.42854%0.542SS..Hα-helixtrans-59.6-51.2172.1162.99.3000110.5E72 E73 K78 R79 Q80E72-N76 WeakPolarHBondContact O-CB 3.25Å; E72-N76 PolarHBondContact O-N 3.16Å; E73-N76 WeakPolarHBondContact O-CB 3.08Å; E73-N76 PolarHBondContact O-N 3Å; N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 2.94Å; N76-R79 WeakPolarHBondContact O-CA 3.39Å; N76-R79 WeakPolarHBondContact O-CB 3.39Å; N76-R79 PolarHBondContact O-N 3.44Å; N76-Q80 PolarHBondContact O-N 3.24Å; N76-Q80 WeakPolarHBondContact OD1-CG 3.35Å; N76-Q80 PolarHBondContact OD1-NE2 3.01Å
77E93Very high85.4Confident91 Ų91116.4 Ų116.443%0.42553%0.533SS..Hα-helixtrans-60.1-42.3-178.2-161.3-165.9164.800111.6E73 E74 R79 Q80 K81E73-E77 PolarHBondContact O-N 3.25Å; E74-E77 PolarHBondContact O-N 3.21Å; E77-R79 PolarHBondContact O-N 2.99Å; E77-Q80 PolarHBondContact O-N 3.01Å; E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.32Å; E77-K81 PolarHBondContact O-N 2.91Å; E77-K81 WeakPolarHBondContact OE1-CE 3.13Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 3.48Å; E77-K81 IonicContact OE2-NZ 3.59Å
78K95.3Very high87.3Confident119 Ų119118.3 Ų118.352%0.51754%0.535SS..Hα-helixtrans-59.9-42.5173.8-74.9173.2-177.11700112.2E74 N76 K81 L82E74-K78 HydrophobicContact CG-CD 4.48Å; E74-K78 WeakPolarHBondContact O-CB 3.43Å; E74-K78 VanDerWaalsContact O-CG 3.29Å; E74-K78 WeakPolarHBondContact O-CG 3.23Å; E74-K78 PolarHBondContact O-N 3.43Å; E74-K78 WeakPolarHBondContact OE1-CE 3.27Å; E74-K78 IonicContact OE1-NZ 3.89Å; E74-K78 PolarHBondContact OE1-NZ 3.42Å; N76-K78 VanDerWaalsContact C-N 3.31Å; N76-K78 PolarHBondContact O-N 2.94Å; K78-K81 PolarHBondContact O-N 2.77Å; K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 2.92Å
79R93.6Very high89.3Confident187 Ų187115.4 Ų115.471%0.70653%0.528SS*.Hα-helixtrans-63.3-44.4175.8-73.2174.7-179.9-153.71.3111.3K75 N76 E77 L82 V83K75-R79 VanDerWaalsContact O-CG 3.31Å; K75-R79 WeakPolarHBondContact O-CG 3.43Å; K75-R79 PolarHBondContact O-N 2.86Å; K75-R79 VanDerWaalsContact O-N 3.08Å; N76-R79 WeakPolarHBondContact O-CA 3.39Å; N76-R79 WeakPolarHBondContact O-CB 3.39Å; N76-R79 PolarHBondContact O-N 3.44Å; E77-R79 PolarHBondContact O-N 2.99Å; R79-L82 PolarHBondContact O-N 3.19Å; R79-V83 WeakPolarHBondContact O-CG2 3.47Å; R79-V83 PolarHBondContact O-N 3.24Å
80Q92.9Very high90.8Very high81 Ų81112.4 Ų112.438%0.37952%0.519SS..Hα-helixtrans-62.4-45.5177-66.8-173.117.700112N76 E77 L82 V83 R84N76-Q80 PolarHBondContact O-N 3.24Å; N76-Q80 WeakPolarHBondContact OD1-CG 3.35Å; N76-Q80 PolarHBondContact OD1-NE2 3.01Å; E77-Q80 PolarHBondContact O-N 3.01Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.95Å; Q80-V83 PolarHBondContact O-N 3.43Å; Q80-R84 WeakPolarHBondContact O-CG 3.21Å; Q80-R84 PolarHBondContact O-N 3.25Å; Q80-R84 VanDerWaalsContact OE1-NH2 3.08Å
81K96.1Very high92.2Very high114 Ų114111.1 Ų111.150%0.49652%0.515SS..Hα-helixtrans-59-42.3176-74.5175.4-178.8168.50111.5E77 K78 R84 K85E77-K81 WeakPolarHBondContact O-CB 3.45Å; E77-K81 WeakPolarHBondContact O-CG 3.32Å; E77-K81 PolarHBondContact O-N 2.91Å; E77-K81 WeakPolarHBondContact OE1-CE 3.13Å; E77-K81 IonicContact OE1-NZ 2.66Å; E77-K81 PolarHBondContact OE1-NZ 3.48Å; E77-K81 IonicContact OE2-NZ 3.59Å; K78-K81 PolarHBondContact O-N 2.77Å; K81-R84 PolarHBondContact O-N 2.85Å; K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.3Å
82L97.1Very high93.3Very high95 Ų95108.2 Ų108.250%0.49751%0.51SS..Hα-helixtrans-62.6-43.7177.2-175.368.7000112.1K78 R79 Q80 K85 K86K78-L82 WeakPolarHBondContact O-CB 3.4Å; K78-L82 PolarHBondContact O-N 2.92Å; R79-L82 PolarHBondContact O-N 3.19Å; Q80-L82 VanDerWaalsContact C-N 3.31Å; Q80-L82 PolarHBondContact O-N 2.95Å; L82-K85 PolarHBondContact O-N 2.66Å; L82-K86 WeakPolarHBondContact O-CG 3.45Å; L82-K86 PolarHBondContact O-N 2.98Å
83V96.6Very high94.4Very high92 Ų92107.9 Ų107.956%0.55851%0.509SS*.Hα-helixtrans-63.3-46.6178.1173.10000110.8R79 Q80 K85 K86 Q87R79-V83 WeakPolarHBondContact O-CG2 3.47Å; R79-V83 PolarHBondContact O-N 3.24Å; Q80-V83 PolarHBondContact O-N 3.43Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 2.85Å; V83-K86 PolarHBondContact O-N 3.29Å; V83-Q87 PolarHBondContact O-N 3.36Å
84R96.4Very high95.1Very high145 Ų145108.2 Ų108.255%0.54751%0.508SS..Hα-helixtrans-58.5-44.7176.4-69.8-179.2-172.9112.86.4111.6Q80 K81 Q87 Q88Q80-R84 WeakPolarHBondContact O-CG 3.21Å; Q80-R84 PolarHBondContact O-N 3.25Å; Q80-R84 VanDerWaalsContact OE1-NH2 3.08Å; K81-R84 PolarHBondContact O-N 2.85Å; R84-Q87 PolarHBondContact O-N 2.72Å; R84-Q88 PolarHBondContact O-N 3.29Å
85K97.8Very high95.7Very high120 Ų120106.2 Ų106.252%0.52251%0.507SS..Hα-helixtrans-61.5-47.3178.2-168.5-176.6-176.1-163.90112K81 L82 V83 Q87 Q88 E89K81-K85 WeakPolarHBondContact O-CB 3.43Å; K81-K85 PolarHBondContact O-N 3.3Å; L82-K85 PolarHBondContact O-N 2.66Å; V83-K85 VanDerWaalsContact C-N 3.33Å; V83-K85 PolarHBondContact O-N 2.85Å; K85-Q87 VanDerWaalsContact C-N 3.28Å; K85-Q87 PolarHBondContact O-N 3.1Å; K85-Q88 PolarHBondContact O-N 2.88Å; K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 IonicContact NZ-OE1 3.93Å; K85-E89 WeakPolarHBondContact O-CG 3.31Å; K85-E89 PolarHBondContact O-N 2.97Å
86K97.4Very high96.1Very high130 Ų130104.3 Ų104.357%0.56551%0.508SS*.Hα-helixtrans-59.8-39.5176.6-75.3-175.9175.8-1720112.3L82 V83 E89 A90L82-K86 WeakPolarHBondContact O-CG 3.45Å; L82-K86 PolarHBondContact O-N 2.98Å; V83-K86 PolarHBondContact O-N 3.29Å; K86-E89 PolarHBondContact O-N 3.35Å; K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 2.68Å
87Q96.4Very high96.4Very high118 Ų118106.6 Ų106.655%0.55151%0.51SS*.Hα-helixtrans-66.4-41.8176.9-173.2173.3-2.400111.7V83 R84 K85 A90 Q91V83-Q87 PolarHBondContact O-N 3.36Å; R84-Q87 PolarHBondContact O-N 2.72Å; K85-Q87 VanDerWaalsContact C-N 3.28Å; K85-Q87 PolarHBondContact O-N 3.1Å; Q87-A90 PolarHBondContact O-N 2.83Å; Q87-Q91 WeakPolarHBondContact O-CG 3.3Å; Q87-Q91 PolarHBondContact O-N 3.23Å
88Q96.8Very high96.6Very high141 Ų141108.5 Ų108.566%0.65952%0.515SS*.Hα-helixtrans-65-41.6176-171.4176.8400111.9R84 K85 Q91 G92R84-Q88 PolarHBondContact O-N 3.29Å; K85-Q88 PolarHBondContact O-N 2.88Å; Q88-Q91 PolarHBondContact O-N 3.38Å; Q88-G92 PolarHBondContact O-N 3.43Å
89E97.5Very high96.7Very high109 Ų109106.8 Ų106.851%0.50951%0.511SS..Hα-helixtrans-61.3-45.4174.5-74.4170.5-176.600111.2K85 K86 Q91 G92 E93K85-E89 WeakPolarHBondContact CE-OE1 3.23Å; K85-E89 IonicContact NZ-OE1 3.93Å; K85-E89 WeakPolarHBondContact O-CG 3.31Å; K85-E89 PolarHBondContact O-N 2.97Å; K86-E89 PolarHBondContact O-N 3.35Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.8Å; E89-G92 PolarHBondContact O-N 2.93Å; E89-E93 WeakPolarHBondContact O-CB 3.23Å; E89-E93 PolarHBondContact O-N 2.96Å
90A96.9Very high96.9Very high46 Ų46103.3 Ų103.338%0.3850%0.502SS..Hα-helixtrans-63.5-36177.400000112.9K86 Q87 K94K86-A90 WeakPolarHBondContact O-CB 3.48Å; K86-A90 PolarHBondContact O-N 2.68Å; Q87-A90 PolarHBondContact O-N 2.83Å; A90-K94 WeakPolarHBondContact O-CG 3.49Å; A90-K94 PolarHBondContact O-N 2.94Å
91Q95.8Very high97.1Very high123 Ų123104.6 Ų104.658%0.57551%0.512SS*.Hα-helixtrans-71.7-41.8173.4-73.9-173.8-15.700112Q87 Q88 E89 E93 K94 A95Q87-Q91 WeakPolarHBondContact O-CG 3.3Å; Q87-Q91 PolarHBondContact O-N 3.23Å; Q88-Q91 PolarHBondContact O-N 3.38Å; E89-Q91 VanDerWaalsContact C-N 3.32Å; E89-Q91 PolarHBondContact O-N 2.8Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 2.85Å; Q91-K94 WeakPolarHBondContact O-CB 3.44Å; Q91-K94 PolarHBondContact O-N 3Å; Q91-A95 PolarHBondContact O-N 3.02Å
92G97.4Very high97.1Very high33 Ų33102.4 Ų102.434%0.3451%0.508SS..Hα-helixtrans-59.7-43175.300000111.9Q88 E89 K94 A95 S96Q88-G92 PolarHBondContact O-N 3.43Å; E89-G92 PolarHBondContact O-N 2.93Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 3.01Å; G92-A95 PolarHBondContact O-N 2.84Å; G92-S96 WeakPolarHBondContact O-CB 3.4Å; G92-S96 PolarHBondContact O-N 2.88Å; G92-S96 PolarHBondContact O-OG 2.93Å; G92-S96 VanDerWaalsContact O-OG 3.1Å
93E97.5Very high97Very high104 Ų104101.6 Ų101.649%0.48650%0.504SS..Hα-helixtrans-63.5-39.2177.2-161.6-161.1139.600112.1E89 Q91 S96 R97E89-E93 WeakPolarHBondContact O-CB 3.23Å; E89-E93 PolarHBondContact O-N 2.96Å; Q91-E93 VanDerWaalsContact C-N 3.33Å; Q91-E93 PolarHBondContact O-N 2.85Å; E93-S96 PolarHBondContact O-N 3.42Å; E93-R97 WeakPolarHBondContact O-CB 3.38Å; E93-R97 PolarHBondContact O-N 3.35Å; E93-R97 IonicContact OE1-CZ 3.92Å; E93-R97 VanDerWaalsContact OE1-CZ 3.3Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.81Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH2 2.65Å
94K97.1Very high97.1Very high142 Ų142102.1 Ų102.162%0.61750%0.498SS*.Hα-helixtrans-63.3-43.7173.7-73174.9-178.6-175.20111.7A90 Q91 G92 R97 Y98A90-K94 WeakPolarHBondContact O-CG 3.49Å; A90-K94 PolarHBondContact O-N 2.94Å; Q91-K94 WeakPolarHBondContact O-CB 3.44Å; Q91-K94 PolarHBondContact O-N 3Å; G92-K94 VanDerWaalsContact C-N 3.34Å; G92-K94 PolarHBondContact O-N 3.01Å; K94-R97 PolarHBondContact O-N 2.94Å; K94-Y98 PolarHBondContact O-N 3.41Å
95A97.6Very high97.1Very high51 Ų5197.9 Ų97.942%0.42149%0.489SS..Hα-helixtrans-63.9-46.2177.100000111.3Q91 G92 R97 Y98 I99Q91-A95 PolarHBondContact O-N 3.02Å; G92-A95 PolarHBondContact O-N 2.84Å; A95-R97 PolarHBondContact O-N 3.34Å; A95-Y98 WeakPolarHBondContact O-CB 3.46Å; A95-Y98 PolarHBondContact O-N 2.94Å; A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.32Å; A95-I99 PolarHBondContact O-N 2.94Å
96S97.8Very high97.1Very high70 Ų7096.9 Ų96.949%0.4949%0.486SS..Hα-helixtrans-60.2-45.5176-63.80000111.9G92 E93 Y98 I99 E100G92-S96 WeakPolarHBondContact O-CB 3.4Å; G92-S96 PolarHBondContact O-N 2.88Å; G92-S96 PolarHBondContact O-OG 2.93Å; G92-S96 VanDerWaalsContact O-OG 3.1Å; E93-S96 PolarHBondContact O-N 3.42Å; S96-Y98 VanDerWaalsContact C-N 3.29Å; S96-Y98 PolarHBondContact O-N 3.36Å; S96-I99 PolarHBondContact O-N 3.05Å; S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 2.84Å
97R98.1Very high97Very high127 Ų12796.7 Ų96.748%0.47949%0.487SS..Hα-helixtrans-59-39.8174.6-88.4-169.1-96.1168.6-10112.4E93 K94 A95 N101E93-R97 WeakPolarHBondContact O-CB 3.38Å; E93-R97 PolarHBondContact O-N 3.35Å; E93-R97 IonicContact OE1-CZ 3.92Å; E93-R97 VanDerWaalsContact OE1-CZ 3.3Å; E93-R97 IonicContact OE1-NE 2.63Å; E93-R97 PolarHBondContact OE1-NE 2.81Å; E93-R97 IonicContact OE1-NH2 3.74Å; E93-R97 PolarHBondContact OE1-NH2 3.29Å; E93-R97 IonicContact OE2-NH2 2.65Å; K94-R97 PolarHBondContact O-N 2.94Å; A95-R97 PolarHBondContact O-N 3.34Å; R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.5Å; R97-N101 PolarHBondContact O-N 3.13Å
98Y97.3Very high97Very high132 Ų13296.5 Ų96.552%0.51849%0.487SS..Hα-helixtrans-67.2-43.8177.2-180-100.1000111.9K94 A95 S96 E100 V102 L103K94-Y98 PolarHBondContact O-N 3.41Å; A95-Y98 WeakPolarHBondContact O-CB 3.46Å; A95-Y98 PolarHBondContact O-N 2.94Å; S96-Y98 VanDerWaalsContact C-N 3.29Å; S96-Y98 PolarHBondContact O-N 3.36Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 3.35Å; Y98-V102 HydrophobicContact CD2-CB 3.88Å; Y98-V102 HydrophobicContact CD2-CG1 4.39Å; Y98-V102 HydrophobicContact CD2-CG2 3.64Å; Y98-V102 HydrophobicContact CE2-CB 3.73Å; Y98-V102 HydrophobicContact CE2-CG1 3.72Å; Y98-V102 HydrophobicContact CE2-CG2 3.77Å; Y98-V102 HydrophobicContact CG-CB 4.46Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CA 3.4Å; Y98-V102 VanDerWaalsContact O-CB 3.28Å; Y98-V102 WeakPolarHBondContact O-CB 3.43Å; Y98-V102 PolarHBondContact O-N 2.9Å; Y98-L103 HydrophobicContact CD1-CD1 4.12Å; Y98-L103 HydrophobicContact CD1-CG 4.04Å; Y98-L103 HydrophobicContact CE1-CD1 3.91Å; Y98-L103 HydrophobicContact CE1-CD2 3.73Å; Y98-L103 HydrophobicContact CE1-CG 3.67Å; Y98-L103 PolarHBondContact O-N 2.73Å
99I97.2Very high97Very high83 Ų8394.5 Ų94.543%0.42648%0.479SS..Iπ-helixtrans-59-45.7176.5-67.2162.7000110.2A95 S96 L103 K104A95-I99 VanDerWaalsContact O-CG1 3.31Å; A95-I99 WeakPolarHBondContact O-CG1 3.32Å; A95-I99 PolarHBondContact O-N 2.94Å; S96-I99 PolarHBondContact O-N 3.05Å; I99-L103 HydrophobicContact CG1-CD1 4.09Å; I99-L103 PolarHBondContact O-N 3.42Å; I99-K104 PolarHBondContact O-N 2.78Å
100E96.8Very high97Very high113 Ų11395.5 Ų95.553%0.52848%0.481SS..Iπ-helixtrans-75.2-42-176-171.7163.8-146.600113.7S96 Y98 P105S96-E100 WeakPolarHBondContact O-CB 3.29Å; S96-E100 PolarHBondContact O-N 2.84Å; Y98-E100 VanDerWaalsContact C-N 3.3Å; Y98-E100 PolarHBondContact O-N 3.35Å; E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.47Å
101N96.8Very high97Very high108 Ų10898.3 Ų98.358%0.57849%0.489SS*.Iπ-helixtrans-92-18.8-173.6-64-20000113.9R97R97-N101 VanDerWaalsContact O-CB 3.23Å; R97-N101 WeakPolarHBondContact O-CB 3.5Å; R97-N101 PolarHBondContact O-N 3.13Å
102V96Very high96.9Very high68 Ų68100.4 Ų100.441%0.41249%0.492SS..Iπ-helixtrans-118.7-54.6-175.5-173.50000111.3Y98 H106Y98-V102 HydrophobicContact CD2-CB 3.88Å; Y98-V102 HydrophobicContact CD2-CG1 4.39Å; Y98-V102 HydrophobicContact CD2-CG2 3.64Å; Y98-V102 HydrophobicContact CE2-CB 3.73Å; Y98-V102 HydrophobicContact CE2-CG1 3.72Å; Y98-V102 HydrophobicContact CE2-CG2 3.77Å; Y98-V102 HydrophobicContact CG-CB 4.46Å; Y98-V102 HydrophobicContact CG-CG2 4.48Å; Y98-V102 WeakPolarHBondContact O-CA 3.4Å; Y98-V102 VanDerWaalsContact O-CB 3.28Å; Y98-V102 WeakPolarHBondContact O-CB 3.43Å; Y98-V102 PolarHBondContact O-N 2.9Å; V102-H106 VanDerWaalsContact O-CB 3.23Å; V102-H106 WeakPolarHBondContact O-CB 3.29Å; V102-H106 PolarHBondContact O-N 2.97Å
103L96.2Very high96.9Very high79 Ų79104.3 Ų104.341%0.41450%0.499SS..Iπ-helixtrans-73-49-172.9-61.1-177.4000112.5Y98 I99 H106 Q107Y98-L103 HydrophobicContact CD1-CD1 4.12Å; Y98-L103 HydrophobicContact CD1-CG 4.04Å; Y98-L103 HydrophobicContact CE1-CD1 3.91Å; Y98-L103 HydrophobicContact CE1-CD2 3.73Å; Y98-L103 HydrophobicContact CE1-CG 3.67Å; Y98-L103 PolarHBondContact O-N 2.73Å; I99-L103 HydrophobicContact CG1-CD1 4.09Å; I99-L103 PolarHBondContact O-N 3.42Å; L103-H106 PolarHBondContact O-N 2.85Å; L103-Q107 PolarHBondContact O-N 3.46Å
104K97.3Very high96.8Very high102 Ų102105 Ų10544%0.44351%0.506SS..Hα-helixtrans-59-51.1179-74.4-175.7-176.2177.10112.5I99 H106 Q107 E108I99-K104 PolarHBondContact O-N 2.78Å; K104-H106 VanDerWaalsContact C-N 3.27Å; K104-H106 PolarHBondContact O-N 2.9Å; K104-Q107 PolarHBondContact O-N 2.93Å; K104-Q107 VanDerWaalsContact O-N 3.1Å; K104-E108 WeakPolarHBondContact O-CG 3.32Å; K104-E108 PolarHBondContact O-N 2.84Å
105P98.4Very high96.7Very high56 Ų56102.7 Ų102.736%0.36450%0.497SS..Hα-helixtrans-64.3-34.4-178.7-24.537.4000112.2E100 M109E100-P105 VanDerWaalsContact O-CD 3.23Å; E100-P105 WeakPolarHBondContact O-CD 3.47Å; P105-M109 WeakPolarHBondContact O-CB 3.49Å; P105-M109 PolarHBondContact O-N 3.48Å
106H96.4Very high96.5Very high99 Ų99104.2 Ų104.246%0.45850%0.496SS..Hα-helixtrans-67-39.9175.8-174.8-107.8000112V102 L103 K104 K110V102-H106 VanDerWaalsContact O-CB 3.23Å; V102-H106 WeakPolarHBondContact O-CB 3.29Å; V102-H106 PolarHBondContact O-N 2.97Å; L103-H106 PolarHBondContact O-N 2.85Å; K104-H106 VanDerWaalsContact C-N 3.27Å; K104-H106 PolarHBondContact O-N 2.9Å; H106-K110 WeakPolarHBondContact CE1-CE 3.48Å; H106-K110 WeakPolarHBondContact O-CG 3.34Å; H106-K110 PolarHBondContact O-N 3.09Å; H106-K110 VanDerWaalsContact O-N 3.1Å
107Q96.1Very high96.4Very high126 Ų126109 Ų10959%0.58950%0.503SS*.Hα-helixtrans-67.2-44.6174.4-174.9175.4-25.200111.9L103 K104 M109 K110 L111L103-Q107 PolarHBondContact O-N 3.46Å; K104-Q107 PolarHBondContact O-N 2.93Å; K104-Q107 VanDerWaalsContact O-N 3.1Å; Q107-M109 PolarHBondContact O-N 3.17Å; Q107-K110 WeakPolarHBondContact O-CB 3.46Å; Q107-K110 PolarHBondContact O-N 3.11Å; Q107-L111 PolarHBondContact O-N 3.1Å
108E96.5Very high96.2Very high114 Ų114108.4 Ų108.453%0.53350%0.504SS..Hα-helixtrans-62.1-41.5175.8-72.9176.4-167.800111.9K104 K110 L111 R112K104-E108 WeakPolarHBondContact O-CG 3.32Å; K104-E108 PolarHBondContact O-N 2.84Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; E108-L111 PolarHBondContact O-N 3.48Å; E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 PolarHBondContact O-N 2.94Å
109M96.4Very high96.1Very high100 Ų100104.4 Ų104.449%0.49349%0.489SS..Hα-helixtrans-61.7-40.9175.1-175.6-165.9-64.400111.5P105 Q107 R112 K113P105-M109 WeakPolarHBondContact O-CB 3.49Å; P105-M109 PolarHBondContact O-N 3.48Å; Q107-M109 PolarHBondContact O-N 3.17Å; M109-R112 PolarHBondContact O-N 3.21Å; M109-K113 HydrophobicContact CG-CD 4.4Å; M109-K113 WeakPolarHBondContact O-CB 3.41Å; M109-K113 WeakPolarHBondContact O-CG 3.44Å; M109-K113 PolarHBondContact O-N 3.43Å
110K96.8Very high95.8Very high129 Ų129106.1 Ų106.156%0.56150%0.495SS*.Hα-helixtrans-62.8-44.2175.7-78.3179.5172.9-177.40111.6H106 Q107 E108 K113 L114H106-K110 WeakPolarHBondContact CE1-CE 3.48Å; H106-K110 WeakPolarHBondContact O-CG 3.34Å; H106-K110 PolarHBondContact O-N 3.09Å; H106-K110 VanDerWaalsContact O-N 3.1Å; Q107-K110 WeakPolarHBondContact O-CB 3.46Å; Q107-K110 PolarHBondContact O-N 3.11Å; E108-K110 VanDerWaalsContact C-N 3.32Å; E108-K110 PolarHBondContact O-N 3.17Å; K110-K113 PolarHBondContact O-N 3.37Å; K110-L114 PolarHBondContact O-N 3.46Å; K110-L114 VanDerWaalsContact O-N 3.08Å
111L96.8Very high95.6Very high105 Ų105108.3 Ų108.355%0.5551%0.507SS..Hα-helixtrans-64-45.4176.7-71.8172.6000111.4Q107 E108 K113 L114 E115Q107-L111 PolarHBondContact O-N 3.1Å; E108-L111 PolarHBondContact O-N 3.48Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.99Å; L111-L114 VanDerWaalsContact O-N 3.13Å; L111-E115 WeakPolarHBondContact O-CB 3.41Å; L111-E115 PolarHBondContact O-N 3.47Å
112R94.8Very high95.4Very high167 Ų167106.7 Ų106.763%0.6350%0.501SS*.Hα-helixtrans-59.8-44.1175.2-79.8-160.6-178-169.13112.7E108 M109 L114 E115 E116E108-R112 WeakPolarHBondContact O-CB 3.36Å; E108-R112 PolarHBondContact O-N 2.94Å; M109-R112 PolarHBondContact O-N 3.21Å; R112-L114 VanDerWaalsContact C-N 3.26Å; R112-L114 PolarHBondContact O-N 3.24Å; R112-E115 WeakPolarHBondContact O-CB 3.39Å; R112-E115 PolarHBondContact O-N 3.29Å; R112-E116 WeakPolarHBondContact O-CB 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.3Å; R112-E116 WeakPolarHBondContact O-CG 3.04Å; R112-E116 PolarHBondContact O-N 2.87Å
113K96.8Very high95Very high115 Ų115106.3 Ų106.350%0.551%0.51SS..Hα-helixtrans-61.4-36.5175.8-77.6178179177.40112.2M109 K110 L111 R117M109-K113 HydrophobicContact CG-CD 4.4Å; M109-K113 WeakPolarHBondContact O-CB 3.41Å; M109-K113 WeakPolarHBondContact O-CG 3.44Å; M109-K113 PolarHBondContact O-N 3.43Å; K110-K113 PolarHBondContact O-N 3.37Å; L111-K113 PolarHBondContact O-N 3.24Å; K113-R117 WeakPolarHBondContact O-CG 3.37Å; K113-R117 PolarHBondContact O-N 3.07Å
114L96.5Very high94.6Very high119 Ų119105.5 Ų105.562%0.62351%0.505SS*.Hα-helixtrans-68.9-43.4176.6-17365.8000111K110 L111 R112 R117 F118K110-L114 PolarHBondContact O-N 3.46Å; K110-L114 VanDerWaalsContact O-N 3.08Å; L111-L114 WeakPolarHBondContact O-CB 3.44Å; L111-L114 PolarHBondContact O-N 2.99Å; L111-L114 VanDerWaalsContact O-N 3.13Å; R112-L114 VanDerWaalsContact C-N 3.26Å; R112-L114 PolarHBondContact O-N 3.24Å; L114-R117 PolarHBondContact O-N 3Å; L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 2.81Å
115E93.4Very high94Very high94 Ų94103.1 Ų103.144%0.43950%0.504SS..Hα-helixtrans-62-44.7174.7-179.1175.1-158.800111.9L111 R112 R117 F118 Y119L111-E115 WeakPolarHBondContact O-CB 3.41Å; L111-E115 PolarHBondContact O-N 3.47Å; R112-E115 WeakPolarHBondContact O-CB 3.39Å; R112-E115 PolarHBondContact O-N 3.29Å; E115-R117 PolarHBondContact O-N 3.18Å; E115-F118 WeakPolarHBondContact O-CB 3.5Å; E115-F118 PolarHBondContact O-N 3.22Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E115-Y119 HydrophobicContact CG-CD2 3.67Å; E115-Y119 HydrophobicContact CG-CE2 3.33Å; E115-Y119 WeakPolarHBondContact O-CD2 3.42Å; E115-Y119 PolarHBondContact O-N 3.01Å; E115-Y119 WeakPolarHBondContact OE1-CE2 3.49Å
116E94Very high93.1Very high83 Ų83109 Ų10939%0.38852%0.519SS..Hα-helixtrans-56.8-47.6173.4-77170.3-167.200111.7R112 F118 Y119 Q120 L128R112-E116 WeakPolarHBondContact O-CB 3.14Å; R112-E116 VanDerWaalsContact O-CG 3.3Å; R112-E116 WeakPolarHBondContact O-CG 3.04Å; R112-E116 PolarHBondContact O-N 2.87Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.49Å; E116-Y119 PolarHBondContact O-N 3.4Å; E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 WeakPolarHBondContact O-CG 3.49Å; E116-Q120 PolarHBondContact O-N 2.83Å; E116-L128 HydrophobicContact CB-CD1 4.29Å; E116-L128 HydrophobicContact CB-CD2 4.37Å; E116-L128 HydrophobicContact CG-CD1 4.25Å; E116-L128 HydrophobicContact CG-CD2 3.89Å
117R95Very high92.5Very high171 Ų171108.4 Ų108.465%0.64552%0.515SS*.Hα-helixtrans-63.5-39175.9-77.3-175.2-176.4-168.71112.4K113 L114 E115 Q120 M121K113-R117 WeakPolarHBondContact O-CG 3.37Å; K113-R117 PolarHBondContact O-N 3.07Å; L114-R117 PolarHBondContact O-N 3Å; E115-R117 PolarHBondContact O-N 3.18Å; R117-Q120 PolarHBondContact O-N 2.95Å; R117-M121 HydrophobicContact CB-CE 4.5Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 WeakPolarHBondContact O-CG 3.42Å; R117-M121 PolarHBondContact O-N 2.7Å
118F95.7Very high91.9Very high113 Ų113105.5 Ų105.550%0.49650%0.503SS..Hα-helixtrans-59.2-54.3176.9175.7-95.9000110.4L114 E115 E116 Q120 M121 T122L114-F118 WeakPolarHBondContact O-CB 3.4Å; L114-F118 PolarHBondContact O-N 2.81Å; E115-F118 WeakPolarHBondContact O-CB 3.5Å; E115-F118 PolarHBondContact O-N 3.22Å; E115-F118 VanDerWaalsContact O-N 3.16Å; E116-F118 VanDerWaalsContact C-N 3.33Å; E116-F118 PolarHBondContact O-N 3.49Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.86Å; F118-M121 PolarHBondContact O-N 3.32Å; F118-M121 VanDerWaalsContact O-N 3.14Å; F118-T122 HydrophobicContact CE2-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 4.2Å; F118-T122 PolarHBondContact O-N 3.36Å; F118-T122 PolarHBondContact O-OG1 3.39Å
119Y93.3Very high91.2Very high49 Ų49103.7 Ų103.719%0.19250%0.503CS..Hα-helixtrans-67.4-30.9-179.6-69.1-58.4000113.8E115 E116 T122 G123 E124 A125 K127 L128E115-Y119 HydrophobicContact CG-CD2 3.67Å; E115-Y119 HydrophobicContact CG-CE2 3.33Å; E115-Y119 WeakPolarHBondContact O-CD2 3.42Å; E115-Y119 PolarHBondContact O-N 3.01Å; E115-Y119 WeakPolarHBondContact OE1-CE2 3.49Å; E116-Y119 PolarHBondContact O-N 3.4Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.12Å; Y119-G123 PolarHBondContact O-N 3.42Å; Y119-E124 HydrophobicContact CD1-CB 4.05Å; Y119-E124 PolarHBondContact O-N 3.39Å; Y119-A125 PolarHBondContact O-N 2.97Å; Y119-K127 HydrophobicContact CD1-CB 4.44Å; Y119-K127 HydrophobicContact CD1-CD 4.06Å; Y119-K127 HydrophobicContact CE1-CB 4.49Å; Y119-K127 HydrophobicContact CE1-CD 3.7Å; Y119-L128 HydrophobicContact CD2-CD2 3.61Å; Y119-L128 HydrophobicContact CD2-CG 4.42Å; Y119-L128 HydrophobicContact CE2-CD2 4.49Å; Y119-L128 HydrophobicContact CG-CD2 4.25Å
120Q91.8Very high90.1Very high119 Ų119104.7 Ų104.756%0.55652%0.52SS*.Hα-helixtrans-64.7-42.1170.9-75.7172.120.600111.7E116 R117 F118 G123 L128E116-Q120 WeakPolarHBondContact O-CB 3.42Å; E116-Q120 WeakPolarHBondContact O-CG 3.49Å; E116-Q120 PolarHBondContact O-N 2.83Å; R117-Q120 PolarHBondContact O-N 2.95Å; F118-Q120 VanDerWaalsContact C-N 3.34Å; F118-Q120 PolarHBondContact O-N 2.86Å; Q120-G123 PolarHBondContact O-N 3.28Å; Q120-L128 HydrophobicContact CG-CD1 4.17Å
121M92.2Very high89.1Confident159 Ų159101.5 Ų101.578%0.78352%0.524SS*.Hα-helixtrans-70.5-36.9178.4-79.1-170.4-73.300113.2R117 F118 G123R117-M121 HydrophobicContact CB-CE 4.5Å; R117-M121 WeakPolarHBondContact O-CB 3.37Å; R117-M121 WeakPolarHBondContact O-CG 3.42Å; R117-M121 PolarHBondContact O-N 2.7Å; F118-M121 PolarHBondContact O-N 3.32Å; F118-M121 VanDerWaalsContact O-N 3.14Å; M121-G123 PolarHBondContact O-N 3.22Å
122T93Very high87.6Confident74 Ų74104.4 Ų104.445%0.45453%0.534SS..THydrogen-bonded Turntrans-78-5.7176.235.50000113.9F118 Y119 E124F118-T122 HydrophobicContact CE2-CG2 4.47Å; F118-T122 HydrophobicContact CZ-CG2 4.2Å; F118-T122 PolarHBondContact O-N 3.36Å; F118-T122 PolarHBondContact O-OG1 3.39Å; Y119-T122 WeakPolarHBondContact CA-OG1 3.12Å; T122-E124 PolarHBondContact O-N 2.95Å
123G86.8Confident86.6Confident59 Ų59106 Ų10661%0.60855%0.546SS*.THydrogen-bonded Turntrans75.96.8-177.800000114.2Y119 Q120 M121 A125Y119-G123 PolarHBondContact O-N 3.42Å; Q120-G123 PolarHBondContact O-N 3.28Å; M121-G123 PolarHBondContact O-N 3.22Å; G123-A125 PolarHBondContact O-N 3.01Å
124E89Confident85.3Confident62 Ų62107.7 Ų107.729%0.2956%0.559SS.*  trans-90.134.6178.6-58.7-172.413500112.4Y119 T122 W126 K127Y119-E124 HydrophobicContact CD1-CB 4.05Å; Y119-E124 PolarHBondContact O-N 3.39Å; T122-E124 PolarHBondContact O-N 2.95Å; E124-W126 PolarHBondContact O-N 3.33Å; E124-K127 HydrophobicContact CB-CD 4.12Å; E124-K127 HydrophobicContact CB-CG 4.44Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 IonicContact OE1-NZ 3.22Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 WeakPolarHBondContact OE2-CE 3.41Å; E124-K127 IonicContact OE2-NZ 2.7Å; E124-K127 PolarHBondContact OE2-NZ 2.65Å
125A84.6Confident83.3Confident52 Ų52106.1 Ų106.143%0.4357%0.572SS.*G310 helixtrans-59.7-20.8-174.600000113.9Y119 G123 K127 L128Y119-A125 PolarHBondContact O-N 2.97Å; G123-A125 PolarHBondContact O-N 3.01Å; A125-K127 PolarHBondContact O-N 2.83Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.04Å; A125-L128 VanDerWaalsContact O-N 3.11Å
126W79.1Confident80.9Confident179 Ų179105.3 Ų105.368%0.67859%0.589SS**G310 helixtrans-61.8-25.1173.860.3-93.5000113.2E124 L128 S129E124-W126 PolarHBondContact O-N 3.33Å; W126-L128 VanDerWaalsContact C-N 3.26Å; W126-L128 PolarHBondContact O-N 2.96Å; W126-S129 PolarHBondContact O-N 2.91Å; W126-S129 PolarHBondContact O-OG 3.42Å
127K84.8Confident79Confident88 Ų88109.2 Ų109.238%0.38361%0.612SS.*G310 helixtrans-70.8-18.9174.9-66-178-176.5171.30113.6Y119 E124 A125 S129Y119-K127 HydrophobicContact CD1-CB 4.44Å; Y119-K127 HydrophobicContact CD1-CD 4.06Å; Y119-K127 HydrophobicContact CE1-CB 4.49Å; Y119-K127 HydrophobicContact CE1-CD 3.7Å; E124-K127 HydrophobicContact CB-CD 4.12Å; E124-K127 HydrophobicContact CB-CG 4.44Å; E124-K127 WeakPolarHBondContact O-CB 3.36Å; E124-K127 PolarHBondContact O-N 3.31Å; E124-K127 IonicContact OE1-NZ 3.22Å; E124-K127 PolarHBondContact OE1-NZ 2.99Å; E124-K127 WeakPolarHBondContact OE2-CE 3.41Å; E124-K127 IonicContact OE2-NZ 2.7Å; E124-K127 PolarHBondContact OE2-NZ 2.65Å; A125-K127 PolarHBondContact O-N 2.83Å; K127-S129 VanDerWaalsContact C-N 3.35Å
128L82.8Confident76.8Confident65 Ų65109.7 Ų109.734%0.3462%0.622SS.*G310 helixtrans-78.5-23175.4-59.3178.1000112.4E116 Y119 Q120 A125 W126E116-L128 HydrophobicContact CB-CD1 4.29Å; E116-L128 HydrophobicContact CB-CD2 4.37Å; E116-L128 HydrophobicContact CG-CD1 4.25Å; E116-L128 HydrophobicContact CG-CD2 3.89Å; Y119-L128 HydrophobicContact CD2-CD2 3.61Å; Y119-L128 HydrophobicContact CD2-CG 4.42Å; Y119-L128 HydrophobicContact CE2-CD2 4.49Å; Y119-L128 HydrophobicContact CG-CD2 4.25Å; Q120-L128 HydrophobicContact CG-CD1 4.17Å; A125-L128 WeakPolarHBondContact O-CB 3.42Å; A125-L128 PolarHBondContact O-N 3.04Å; A125-L128 VanDerWaalsContact O-N 3.11Å; W126-L128 VanDerWaalsContact C-N 3.26Å; W126-L128 PolarHBondContact O-N 2.96Å
129S81.3Confident74.4Confident76 Ų76107.7 Ų107.753%0.53163%0.633SS.*SBendtrans-74.3130.9176.2740000109.6W126 K127 G131W126-S129 PolarHBondContact O-N 2.91Å; W126-S129 PolarHBondContact O-OG 3.42Å; K127-S129 VanDerWaalsContact C-N 3.35Å; S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.45Å
130S74.3Confident72.1Confident120 Ų120112 Ų11284%0.83967%0.665SS**  trans-66.496.7168.159.10000107.4H132S130-H132 PolarHBondContact O-N 3.3Å
131G75.8Confident69.6Low62 Ų62111.3 Ų111.364%0.63967%0.673SS**  trans-53.3135-177.500000111.5S129 K133S129-G131 VanDerWaalsContact C-N 3.31Å; S129-G131 PolarHBondContact O-N 3.45Å; G131-K133 PolarHBondContact O-N 2.9Å
132H65.8Low67.6Low167 Ų167113.1 Ų113.177%0.77368%0.68SS**  trans-74.9115.3172.5-168.870.1000108.4S130 L134S130-H132 PolarHBondContact O-N 3.3Å; H132-L134 PolarHBondContact O-N 3Å
133K72.3Confident64.8Low200 Ų200114.1 Ų114.187%0.8769%0.686SS**  trans-7196.3174.5-68.6-144.6-179.4-164.50108.9G131 G135G131-K133 PolarHBondContact O-N 2.9Å; K133-G135 PolarHBondContact O-N 3.26Å
134L70.3Confident62.8Low151 Ų151116.5 Ų116.579%0.79169%0.693SS**  trans-72.3119.7166.3-69.3170.9000107.9H132H132-L134 PolarHBondContact O-N 3Å
135G53.8Low60.5Low86 Ų86122.1 Ų122.189%0.88772%0.717SS**  trans-62.1140.1-176.400000112.9K133K133-G135 PolarHBondContact O-N 3.26Å
136G43.6Very low58.4Low77 Ų77127.5 Ų127.579%0.79473%0.733SS**  trans-135.997.4158.500000106.7
137D54.8Low56.8Low164 Ų164123.2 Ų123.288%0.87773%0.727SS**  trans-79.6107.1157.4-173.219.1000106
138E48.5Very low54.8Low181 Ų181123.9 Ų123.985%0.84674%0.742SS**  trans169.8135.5138.8-94.4-172.1-178.200110.1
139G43.9Very low53.3Low72 Ų72126.3 Ų126.374%0.74276%0.756SS**  trans87.3104.4145.700000118S141G139-S141 PolarHBondContact O-N 3.27Å
140T45Very low51.9Low139 Ų139132.8 Ų132.885%0.85377%0.769SS**  trans-17.2121.8154.7-51.20000115.7
141S40.8Very low50.5Low104 Ų104134.7 Ų134.773%0.72776%0.764SS**  trans-158.1108.9147.5-790000110.5G139 T143G139-S141 PolarHBondContact O-N 3.27Å; S141-T143 PolarHBondContact O-N 3.46Å; S141-T143 VanDerWaalsContact O-N 3.09Å
142Q48.9Very low49.1Very low198 Ų198134.6 Ų134.693%0.92576%0.758SS**  trans-50.2112.6155.1-78.3169.2-51.400108.3
143T35.8Very low48.3Very low95 Ų95130.8 Ų130.858%0.58376%0.755SS**  trans-134.499.2157.541.20000107.5S141 F145S141-T143 PolarHBondContact O-N 3.46Å; S141-T143 VanDerWaalsContact O-N 3.09Å; T143-F145 WeakPolarHBondContact O-CD2 3.29Å; T143-F145 PolarHBondContact O-N 3.42Å
144S43.6Very low47.4Very low108 Ų108130.3 Ų130.376%0.75575%0.753SS**  trans-51.5100.5159.444.70000109E146S144-E146 PolarHBondContact O-N 3.02Å
145F41.8Very low46.5Very low180 Ų180127 Ų12779%0.78974%0.742SS**  trans-75.771.1160.2-70.6-79.7000108.1T143 T147T143-F145 WeakPolarHBondContact O-CD2 3.29Å; T143-F145 PolarHBondContact O-N 3.42Å; F145-T147 PolarHBondContact O-N 3.37Å; F145-T147 PolarHBondContact O-OG1 2.88Å
146E39.9Very low46.4Very low166 Ų166130.8 Ų130.878%0.77674%0.737SS**  trans-64.7101.7164.4-169.1147-16300106.7S144 S148S144-E146 PolarHBondContact O-N 3.02Å; E146-S148 PolarHBondContact O-N 3.27Å
147T45.4Very low46.7Very low89 Ų89134.4 Ų134.455%0.54674%0.738SS.*  trans-72.8123.1-166.8-27.40000109F145 N149 R150F145-T147 PolarHBondContact O-N 3.37Å; F145-T147 PolarHBondContact O-OG1 2.88Å; T147-N149 HydrophobicContact CG2-CB 4.18Å; T147-N149 VanDerWaalsContact CG2-ND2 3.3Å; T147-N149 WeakPolarHBondContact CG2-ND2 3.46Å; T147-N149 PolarHBondContact O-N 2.91Å; T147-R150 PolarHBondContact O-N 3.45Å
148S43Very low46.4Very low101 Ų101133.2 Ų133.271%0.70673%0.731SS**THydrogen-bonded Turntrans-50.5-9.6172.1174.90000114.7E146 R150E146-S148 PolarHBondContact O-N 3.27Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 PolarHBondContact O-N 3.34Å
149N50.2Low46.5Very low117 Ų117130 Ų13063%0.62673%0.726SS**Hα-helixtrans-70.2-15.4178.4-62.3-20.3000114.7T147 E151T147-N149 HydrophobicContact CG2-CB 4.18Å; T147-N149 VanDerWaalsContact CG2-ND2 3.3Å; T147-N149 WeakPolarHBondContact CG2-ND2 3.46Å; T147-N149 PolarHBondContact O-N 2.91Å; N149-E151 VanDerWaalsContact C-N 3.32Å
150R53.5Low46.6Very low212 Ų212135.8 Ų135.880%0.873%0.73SS**Hα-helixtrans-74.6-22.1179-171.6169.5167.6179.4-4.7113.1T147 S148T147-R150 PolarHBondContact O-N 3.45Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 PolarHBondContact O-N 3.34Å
151E44.8Very low46.3Very low160 Ų160133.6 Ų133.675%0.74872%0.718SS**Hα-helixtrans-92.8-28.6-177.1-141.8145.6-153.400112.3N149 A153 K154 S155N149-E151 VanDerWaalsContact C-N 3.32Å; E151-A153 VanDerWaalsContact C-N 3.33Å; E151-K154 PolarHBondContact O-N 3.07Å; E151-S155 PolarHBondContact O-OG 3.08Å
152A44.8Very low46.4Very low60 Ų60136.9 Ų136.950%0.49673%0.727SS.*Hα-helixtrans-70.9-25.2171.400000113.4K154A152-K154 VanDerWaalsContact C-N 3.28Å; A152-K154 PolarHBondContact O-N 2.95Å
153A48.9Very low45.7Very low86 Ų86131.1 Ų131.171%0.71171%0.706SS**THydrogen-bonded Turntrans-77.2-11.5174.200000113.5E151E151-A153 VanDerWaalsContact C-N 3.33Å
154K54.3Low45.9Very low190 Ų190135.3 Ų135.383%0.82672%0.719SS**THydrogen-bonded Turntrans-101.3-11.6-178.8-156.5178.6179.9-1730113.4E151 A152E151-K154 PolarHBondContact O-N 3.07Å; A152-K154 VanDerWaalsContact C-N 3.28Å; A152-K154 PolarHBondContact O-N 2.95Å
155S51.3Low45.5Very low82 Ų82137.6 Ų137.657%0.57372%0.715SS**SBendtrans-107.90.2-175.455.50000115E151 N157E151-S155 PolarHBondContact O-OG 3.08Å; S155-N157 PolarHBondContact O-N 3.44Å; S155-N157 VanDerWaalsContact O-N 3.15Å
156Q50.8Low45.4Very low165 Ų165134.8 Ų134.877%0.77172%0.715SS**  trans-82.291.6163.7-69-170.310.600109.4L158Q156-L158 PolarHBondContact O-N 3.08Å
157N51Low45.7Very low153 Ų153131.5 Ų131.582%0.81871%0.71SS**  trans-54.7105.7159.7-72.2-72.1000108.3S155 P159S155-N157 PolarHBondContact O-N 3.44Å; S155-N157 VanDerWaalsContact O-N 3.15Å; N157-P159 WeakPolarHBondContact O-CD 3.31Å
158L48.1Very low45.4Very low140 Ų140132.3 Ų132.373%0.73372%0.717SS**  trans-55.9117.7168.1-122.886.1000108.7Q156 K160Q156-L158 PolarHBondContact O-N 3.08Å; L158-K160 PolarHBondContact O-N 2.63Å
159P50Low45.5Very low113 Ų113131.8 Ų131.873%0.73472%0.719SS**  trans-65.2124.5147.1-6.825.1000105.7N157 P161N157-P159 WeakPolarHBondContact O-CD 3.31Å; P159-P161 WeakPolarHBondContact O-CD 3.28Å
160K47.8Very low44.9Very low193 Ų193134.8 Ų134.884%0.83973%0.729SS**  trans-45.8117.1173.2-68.7169.7-179.9174.20108.9L158 L162L158-K160 PolarHBondContact O-N 2.63Å; K160-L162 PolarHBondContact O-N 2.91Å; K160-L162 VanDerWaalsContact O-N 3.09Å
161P38.3Very low44Very low93 Ų93132.6 Ų132.660%0.60473%0.728SS**  trans-67.9110.5161.4-8.324.8000105.4P159 T163P159-P161 WeakPolarHBondContact O-CD 3.28Å; P161-T163 PolarHBondContact O-N 3.33Å
162L42.2Very low43.8Very low173 Ų173130.8 Ų130.891%0.90673%0.73SS**  trans-62.784.2152.3-88.3159.4000105.6K160 E164K160-L162 PolarHBondContact O-N 2.91Å; K160-L162 VanDerWaalsContact O-N 3.09Å; L162-E164 PolarHBondContact O-N 3.48Å; L162-E164 VanDerWaalsContact O-N 3.07Å
163T35.1Very low43.2Very low78 Ų78133.8 Ų133.848%0.47974%0.742SS.*  trans-8080.2163.6-40.20000106.2P161 F165P161-T163 PolarHBondContact O-N 3.33Å; T163-F165 VanDerWaalsContact CB-CE2 3.46Å; T163-F165 HydrophobicContact CG2-CD1 3.61Å; T163-F165 HydrophobicContact CG2-CD2 3.44Å; T163-F165 VanDerWaalsContact CG2-CD2 3.44Å; T163-F165 HydrophobicContact CG2-CE1 3.44Å; T163-F165 VanDerWaalsContact CG2-CE1 3.44Å; T163-F165 HydrophobicContact CG2-CE2 3.26Å; T163-F165 HydrophobicContact CG2-CG 3.63Å; T163-F165 HydrophobicContact CG2-CZ 3.26Å; T163-F165 VanDerWaalsContact O-CD2 3.32Å; T163-F165 WeakPolarHBondContact O-CD2 3.45Å; T163-F165 PolarHBondContact O-N 3.14Å
164E40.3Very low42.4Very low183 Ų183135.4 Ų135.486%0.85575%0.747SS**  trans-67.584.3150.8-157.6167.6-145.400105.1L162L162-E164 PolarHBondContact O-N 3.48Å; L162-E164 VanDerWaalsContact O-N 3.07Å
165F34.1Very low42.1Very low155 Ų155135.4 Ų135.468%0.6875%0.747SS**  trans-59.8127.1165.1-66-86.8000105.9T163 S167T163-F165 VanDerWaalsContact CB-CE2 3.46Å; T163-F165 HydrophobicContact CG2-CD1 3.61Å; T163-F165 HydrophobicContact CG2-CD2 3.44Å; T163-F165 VanDerWaalsContact CG2-CD2 3.44Å; T163-F165 HydrophobicContact CG2-CE1 3.44Å; T163-F165 VanDerWaalsContact CG2-CE1 3.44Å; T163-F165 HydrophobicContact CG2-CE2 3.26Å; T163-F165 HydrophobicContact CG2-CG 3.63Å; T163-F165 HydrophobicContact CG2-CZ 3.26Å; T163-F165 VanDerWaalsContact O-CD2 3.32Å; T163-F165 WeakPolarHBondContact O-CD2 3.45Å; T163-F165 PolarHBondContact O-N 3.14Å; F165-S167 PolarHBondContact O-N 3.45Å
166P39.8Very low41.8Very low122 Ų122140 Ų14079%0.79276%0.759SS**  trans-54.5120.8155.223.2-28.5000105.4
167S45.7Very low41.5Very low96 Ų96137.6 Ų137.667%0.67175%0.751SS**  trans-34130.3172.8135.90000108.6F165 A169F165-S167 PolarHBondContact O-N 3.45Å; S167-A169 PolarHBondContact O-N 3.46Å
168P39.6Very low41.7Very low107 Ų107131.7 Ų131.770%0.69572%0.721SS**  trans-54.8117.3168.320.7-26.8000105.9E170P168-E170 PolarHBondContact O-N 3.47Å
169A44.7Very low42.3Very low89 Ų89132.2 Ų132.274%0.73672%0.724SS**  trans-39.1129.9170.200000107.9S167 Q171S167-A169 PolarHBondContact O-N 3.46Å; A169-Q171 PolarHBondContact O-N 3.16Å
170E38.3Very low43.3Very low181 Ų181127.8 Ų127.885%0.84669%0.694SS**  trans-23.8104.3178.6-69.4171.3151.600110.5P168 P172P168-E170 PolarHBondContact O-N 3.47Å; E170-P172 VanDerWaalsContact O-N 3.14Å
171Q35.1Very low44.4Very low165 Ų165120.8 Ų120.877%0.77167%0.668SS**  trans-49.8125.3157.6-73178.6-19.800104.9A169 T173A169-Q171 PolarHBondContact O-N 3.16Å; Q171-T173 PolarHBondContact O-N 3.27Å
172P39.5Very low45.7Very low122 Ų122124.3 Ų124.379%0.79268%0.677SS**  trans-50.2115.5179.418.6-29.9000105.9E170 C174E170-P172 VanDerWaalsContact O-N 3.14Å; P172-C174 PolarHBondContact O-N 2.66Å
173T33.3Very low47.3Very low124 Ų124119.9 Ų119.976%0.76165%0.652SS**  trans-40128.1-172.4380000108.3Q171 K175Q171-T173 PolarHBondContact O-N 3.27Å; T173-K175 PolarHBondContact O-N 3.06Å
174C31.1Very low49.1Very low119 Ų119117 Ų11780%0.80464%0.635SS**  trans-14110.6161.3-159.30000109.6P172 E176P172-C174 PolarHBondContact O-N 2.66Å; C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.03Å
175K48.7Very low50.3Low190 Ų190112.1 Ų112.183%0.82662%0.62SS**  trans-49.1103.9178.9-62.3177.1-178.1179.80106.3T173 I177T173-K175 PolarHBondContact O-N 3.06Å; K175-I177 VanDerWaalsContact C-N 3.27Å; K175-I177 PolarHBondContact O-N 3.11Å
176E43.9Very low51.6Low179 Ų179112.8 Ų112.884%0.83663%0.626SS**  trans-58.4103.3170.2-80.9-176.6155.700104C174 P178C174-E176 VanDerWaalsContact C-N 3.33Å; C174-E176 PolarHBondContact O-N 3.03Å; E176-P178 WeakPolarHBondContact O-CD 3.45Å
177I44.9Very low52.5Low114 Ų114113.2 Ų113.259%0.58563%0.626SS**  trans-72111.6169.2-62.2169.9000102.2K175 D179 R223K175-I177 VanDerWaalsContact C-N 3.27Å; K175-I177 PolarHBondContact O-N 3.11Å; I177-D179 PolarHBondContact O-N 2.81Å; I177-D179 VanDerWaalsContact O-N 3.08Å; I177-R223 HydrophobicContact CG2-CG 4.37Å
178P55.9Low53.5Low30 Ų30110.8 Ų110.820%0.19561%0.612CS.*  trans-60123.5177.4-19.934.3000107.2E176 L180 D219E176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-L180 HydrophobicContact CB-CD1 4.44Å; P178-L180 VanDerWaalsContact O-CD1 3.3Å; P178-L180 WeakPolarHBondContact O-CD1 3.47Å; P178-L180 PolarHBondContact O-N 3.36Å; P178-D219 HydrophobicContact CB-CB 3.71Å; P178-D219 HydrophobicContact CG-CB 4.09Å
179D59.1Low54.6Low151 Ų151114.9 Ų114.981%0.80762%0.622SS**  trans-70.698.5174.5-84.8-30.2000107.8I177I177-D179 PolarHBondContact O-N 2.81Å; I177-D179 VanDerWaalsContact O-N 3.08Å
180L71.2Confident56.3Low19 Ų19116 Ų11610%0.09961%0.612CS.*PPolyproline II helixtrans-65.7140.5178.3-95.377.9000111.1P178 R206 D219 W220 R223P178-L180 HydrophobicContact CB-CD1 4.44Å; P178-L180 VanDerWaalsContact O-CD1 3.3Å; P178-L180 WeakPolarHBondContact O-CD1 3.47Å; P178-L180 PolarHBondContact O-N 3.36Å; L180-R206 VanDerWaalsContact CD2-CZ 3.48Å; L180-D219 HydrophobicContact CD1-CB 3.95Å; L180-W220 VanDerWaalsContact CD2-CA 3.42Å; L180-W220 HydrophobicContact CD2-CB 3.46Å; L180-W220 VanDerWaalsContact CD2-CB 3.46Å; L180-W220 HydrophobicContact CD2-CG 3.72Å; L180-R223 HydrophobicContact CD1-CB 4.01Å
181P71.8Confident58.6Low46 Ų46108.7 Ų108.730%0.29958%0.58SS.*PPolyproline II helixtrans-60.7142.2176.126-33.8000110.9R206 Y212 V216P181-R206 PolarHBondContact O-NH2 3.34Å; P181-Y212 HydrophobicContact CB-CE2 4.02Å; P181-Y212 HydrophobicContact CG-CD2 4.19Å; P181-Y212 HydrophobicContact CG-CE2 3.59Å; P181-V216 HydrophobicContact CG-CG1 3.91Å
182E65.1Low61.1Low167 Ų167100.9 Ų100.978%0.7854%0.543SS*.PPolyproline II helixtrans-50.9140.9177.2-172.557-13500111.3
183E75.9Confident63.6Low81 Ų8197.2 Ų97.238%0.37952%0.518SS..PPolyproline II helixtrans-67.7126.2-174.1-67.9-171.1179.500111R206E183-R206 HydrophobicContact CG-CG 4.01Å; E183-R206 WeakPolarHBondContact OE1-CD 3.17Å; E183-R206 WeakPolarHBondContact OE1-CG 3.38Å; E183-R206 IonicContact OE1-CZ 3.78Å; E183-R206 IonicContact OE1-NE 2.84Å
184P73Confident66.4Low18 Ų1891.3 Ų91.312%0.11748%0.482CS..PPolyproline II helixtrans-64.9147.6-179.626.7-33.6000111.6V191 R207 L209P184-V191 HydrophobicContact CB-CG2 3.92Å; P184-V191 HydrophobicContact CG-CG1 4.12Å; P184-V191 HydrophobicContact CG-CG2 4.14Å; P184-R207 VanDerWaalsContact CD-O 3.3Å; P184-R207 WeakPolarHBondContact CD-O 3.3Å; P184-R207 HydrophobicContact CG-CB 4.03Å; P184-R207 PolarHBondContact O-NE 3.06Å; P184-R207 PolarHBondContact O-NH2 3.13Å; P184-L209 HydrophobicContact CB-CD2 4.16Å; P184-L209 HydrophobicContact CB-CG 4.17Å; P184-L209 HydrophobicContact CG-CG 4.26Å
185S64.9Low69.4Low80 Ų8086.2 Ų86.256%0.55945%0.449SS*.PPolyproline II helixtrans-71.7154.417968.10000111.6T187S185-T187 PolarHBondContact O-N 2.77Å; S185-T187 VanDerWaalsContact O-N 3.07Å
186Q61.5Low71.5Confident169 Ų16977.2 Ų77.279%0.7941%0.409SS*.THydrogen-bonded Turntrans-65.4-12.6-171.6-168.5171.620.100114.6
187T59.1Low73.9Confident131 Ų13175.3 Ų75.380%0.80440%0.395SS*.THydrogen-bonded Turntrans-97-5.6-170-46.80000113.8S185S185-T187 PolarHBondContact O-N 2.77Å; S185-T187 VanDerWaalsContact O-N 3.07Å
188A66.5Low76Confident45 Ų4570.4 Ų70.437%0.37237%0.371SS..  trans-80.5131.3178.900000111.5E190 V191A188-E190 PolarHBondContact O-N 3.46Å; A188-V191 HydrophobicContact CB-CG2 3.68Å; A188-V191 WeakPolarHBondContact O-CG2 3.15Å; A188-V191 PolarHBondContact O-N 2.97Å
189E63.4Low77.6Confident192 Ų19272.8 Ų72.890%0.89739%0.386SS*.THydrogen-bonded Turntrans-64.7-11.7-171.2-68.1-179.1163.200114.6
190E81Confident78.8Confident112 Ų11268.9 Ų68.952%0.52337%0.37SS..THydrogen-bonded Turntrans-11926-175.5-65.4178.1-177.700113.6A188 L209 K210A188-E190 PolarHBondContact O-N 3.46Å; E190-L209 WeakPolarHBondContact O-CA 3.42Å; E190-K210 HydrophobicContact CB-CD 4.28Å; E190-K210 WeakPolarHBondContact O-CG 3.01Å; E190-K210 PolarHBondContact O-N 2.79Å
191V86.1Confident79.5Confident29 Ų2971 Ų7118%0.17640%0.397CS..EExtended strand (participates in β ladder)trans-90.9134.1178-179.90000110.9P184 A188 R207 F208 L209P184-V191 HydrophobicContact CB-CG2 3.92Å; P184-V191 HydrophobicContact CG-CG1 4.12Å; P184-V191 HydrophobicContact CG-CG2 4.14Å; A188-V191 HydrophobicContact CB-CG2 3.68Å; A188-V191 WeakPolarHBondContact O-CG2 3.15Å; A188-V191 PolarHBondContact O-N 2.97Å; V191-R207 HydrophobicContact CG1-CB 3.7Å; V191-R207 HydrophobicContact CG1-CG 4.03Å; V191-F208 WeakPolarHBondContact CA-O 3.5Å; V191-L209 HydrophobicContact CG2-CD2 3.75Å
192V88.2Confident80.3Confident1 Ų173.6 Ų73.61%0.00641%0.408CS..EExtended strand (participates in β ladder)trans-117.6135173.1175.60000109.3V194 R207 F208 K210 I255 V257V192-V194 HydrophobicContact CG1-CG2 4.26Å; V192-R207 CarbonylContact O-C 3.49Å; V192-R207 WeakPolarHBondContact O-CA 3.22Å; V192-F208 PolarHBondContact N-O 2.91Å; V192-F208 PolarHBondContact O-N 2.88Å; V192-K210 HydrophobicContact CG2-CD 4.29Å; V192-K210 HydrophobicContact CG2-CG 3.59Å; V192-I255 HydrophobicContact CG1-CG2 3.77Å; V192-V257 WeakPolarHBondContact CG1-O 3.21Å
193T91.4Very high81.6Confident44 Ų4469.1 Ų69.127%0.2739%0.392SS..EExtended strand (participates in β ladder)trans-91.3115.9172.3-50.60000109.6D258 T259T193-D258 WeakPolarHBondContact CA-OD1 3.48Å; T193-D258 VanDerWaalsContact CB-OD1 3.29Å; T193-D258 WeakPolarHBondContact CB-OD1 3.16Å; T193-D258 PolarHBondContact N-OD1 3.16Å; T193-D258 VanDerWaalsContact O-CA 3.32Å; T193-D258 WeakPolarHBondContact O-CA 3.5Å; T193-D258 PolarHBondContact OG1-OD1 3.46Å; T193-T259 PolarHBondContact O-N 3.44Å; T193-T259 VanDerWaalsContact O-N 3.13Å
194V92.1Very high82.3Confident0 Ų068.2 Ų68.20%039%0.39CS..EExtended strand (participates in β ladder)trans-100.5123.9175.7179.90000109.1V192 R205 R206 F208 L217 W220 I255 T259 L261V192-V194 HydrophobicContact CG1-CG2 4.26Å; V194-R205 WeakPolarHBondContact O-CA 3.33Å; V194-R206 PolarHBondContact N-O 3.49Å; V194-R206 PolarHBondContact O-N 2.84Å; V194-F208 HydrophobicContact CB-CD2 3.82Å; V194-F208 HydrophobicContact CB-CE2 3.89Å; V194-F208 HydrophobicContact CG2-CD2 3.68Å; V194-F208 HydrophobicContact CG2-CE2 4.22Å; V194-L217 HydrophobicContact CG1-CD2 4.18Å; V194-L217 HydrophobicContact CG2-CD2 4.36Å; V194-W220 HydrophobicContact CG1-CZ3 4.13Å; V194-I255 HydrophobicContact CG2-CG2 4.16Å; V194-T259 WeakPolarHBondContact CA-O 3.41Å; V194-L261 HydrophobicContact CG1-CB 4.49Å; V194-L261 HydrophobicContact CG1-CD1 3.53Å; V194-L261 HydrophobicContact CG1-CG 3.81Å
195A93.6Very high83.2Confident12 Ų1276.6 Ų76.610%0.09942%0.419CS..EExtended strand (participates in β ladder)trans-105.6110.3175.300000110.3V203 L204 R205 T259 V260 L261A195-V203 HydrophobicContact CB-CG1 4.19Å; A195-L204 CarbonylContact C-O 3.47Å; A195-L204 WeakPolarHBondContact CA-O 3.4Å; A195-R205 HydrophobicContact CB-CG 4.03Å; A195-T259 PolarHBondContact N-O 3.07Å; A195-V260 HydrophobicContact CB-CG2 4.29Å; A195-V260 CarbonylContact O-C 3.58Å; A195-V260 WeakPolarHBondContact O-CA 3.4Å; A195-L261 PolarHBondContact O-N 3.47Å
196L93.1Very high84.5Confident1 Ų174 Ų741%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-90.1119.6177.5-172.868.5000110.8V203 L204 W220 I224 L233 L261 L263L196-V203 CarbonylContact O-C 3.53Å; L196-V203 VanDerWaalsContact O-CA 3.29Å; L196-V203 WeakPolarHBondContact O-CA 3.24Å; L196-L204 HydrophobicContact CB-CB 4.5Å; L196-L204 PolarHBondContact N-O 2.92Å; L196-L204 PolarHBondContact O-N 2.82Å; L196-W220 HydrophobicContact CB-CH2 3.57Å; L196-W220 HydrophobicContact CB-CZ2 4.48Å; L196-W220 HydrophobicContact CB-CZ3 3.6Å; L196-W220 HydrophobicContact CD2-CE3 4.38Å; L196-W220 HydrophobicContact CD2-CH2 4.45Å; L196-W220 HydrophobicContact CD2-CZ3 4.22Å; L196-W220 HydrophobicContact CG-CZ3 4.43Å; L196-I224 HydrophobicContact CD2-CD1 3.71Å; L196-L233 HydrophobicContact CD1-CD2 3.3Å; L196-L261 CarbonylContact C-O 3.59Å; L196-L261 WeakPolarHBondContact CA-O 3.27Å; L196-L261 HydrophobicContact CD1-CB 4.05Å; L196-L263 HydrophobicContact CD1-CB 4.15Å; L196-L263 HydrophobicContact CD1-CD1 4.32Å; L196-L263 HydrophobicContact CD2-CD1 4.01Å; L196-L263 HydrophobicContact CG-CD1 4.41Å
197R93.3Very high85.9Confident139 Ų13969.7 Ų69.753%0.52537%0.373SS..EExtended strand (participates in β ladder)trans-92114.9172.4-63-169.5172.8-162.60.4109.8V203 V260 L261 L263R197-V203 HydrophobicContact CG-CG1 4.32Å; R197-V203 HydrophobicContact CG-CG2 4.07Å; R197-V260 HydrophobicContact CG-CG1 3.86Å; R197-L261 PolarHBondContact N-O 3.24Å; R197-L263 VanDerWaalsContact O-CB 3.32Å; R197-L263 WeakPolarHBondContact O-CB 3.25Å; R197-L263 PolarHBondContact O-N 3.37Å
198C90.8Very high87.3Confident12 Ų1263.6 Ų63.68%0.08134%0.335CS..  trans-87.2150.7179.4-58.20000111.3S200 G201 N202 Y226C198-S200 VanDerWaalsContact CB-OG 3.32Å; C198-S200 WeakPolarHBondContact CB-OG 3.4Å; C198-S200 PolarHBondContact O-N 2.91Å; C198-S200 VanDerWaalsContact O-N 3.11Å; C198-G201 PolarHBondContact O-N 2.96Å; C198-N202 PolarHBondContact N-O 2.68Å; C198-Y226 HydrophobicContact CB-CE2 4.15Å
199P88.6Confident88.4Confident79 Ų7963.3 Ų63.351%0.51333%0.328SS..THydrogen-bonded Turntrans-57.6-24.7172-24.532.8000113.1G201 Y231 L263P199-G201 PolarHBondContact O-N 3.17Å; P199-Y231 HydrophobicContact CG-CE1 4.15Å; P199-L263 HydrophobicContact CG-CD2 3.61Å; P199-L263 WeakPolarHBondContact CG-O 3.01Å
200S83.8Confident89.7Confident69 Ų6956.8 Ų56.848%0.48330%0.296SS..THydrogen-bonded Turntrans-67.5-6.6174.454.90000114C198 N202 Y226C198-S200 VanDerWaalsContact CB-OG 3.32Å; C198-S200 WeakPolarHBondContact CB-OG 3.4Å; C198-S200 PolarHBondContact O-N 2.91Å; C198-S200 VanDerWaalsContact O-N 3.11Å; S200-N202 VanDerWaalsContact C-N 3.32Å; S200-Y226 PolarHBondContact OG-OH 3.01Å
201G85.4Confident90Very high63 Ų6355 Ų5565%0.64930%0.296SS*.SBendtrans88.3-6.1-178.100000114.2C198 P199C198-G201 PolarHBondContact O-N 2.96Å; P199-G201 PolarHBondContact O-N 3.17Å
202N89.3Confident90.1Very high102 Ų10256.3 Ų56.355%0.54530%0.298SS..  trans-80.6149.4176.2-63.4-43.3000111.3C198 S200C198-N202 PolarHBondContact N-O 2.68Å; S200-N202 VanDerWaalsContact C-N 3.32Å
203V92.6Very high90.2Very high73 Ų7357.9 Ų57.944%0.44231%0.309SS..EExtended strand (participates in β ladder)trans-118.7115.3173.7-173.40000109A195 L196 R197A195-V203 HydrophobicContact CB-CG1 4.19Å; L196-V203 CarbonylContact O-C 3.53Å; L196-V203 VanDerWaalsContact O-CA 3.29Å; L196-V203 WeakPolarHBondContact O-CA 3.24Å; R197-V203 HydrophobicContact CG-CG1 4.32Å; R197-V203 HydrophobicContact CG-CG2 4.07Å
204L91.2Very high90Very high62 Ų6255.9 Ų55.933%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-97.8134177.7-60.2174.6000108.8A195 L196 W220 I224A195-L204 CarbonylContact C-O 3.47Å; A195-L204 WeakPolarHBondContact CA-O 3.4Å; L196-L204 HydrophobicContact CB-CB 4.5Å; L196-L204 PolarHBondContact N-O 2.92Å; L196-L204 PolarHBondContact O-N 2.82Å; L204-W220 HydrophobicContact CB-CH2 4.25Å; L204-W220 HydrophobicContact CB-CZ2 3.87Å; L204-I224 HydrophobicContact CD1-CB 4.3Å; L204-I224 HydrophobicContact CD1-CD1 3.44Å; L204-I224 VanDerWaalsContact CD1-CD1 3.44Å; L204-I224 HydrophobicContact CD1-CG1 3.73Å; L204-I224 HydrophobicContact CD1-CG2 3.53Å
205R92.3Very high89.8Confident194 Ų19460.2 Ų60.273%0.73232%0.317SS*.EExtended strand (participates in β ladder)trans-118.9132.7179.9-62-177.3-177.2-175.7-0108.7V194 A195V194-R205 WeakPolarHBondContact O-CA 3.33Å; A195-R205 HydrophobicContact CB-CG 4.03Å
206R90.7Very high89.6Confident24 Ų2460.6 Ų60.69%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-144.3145.4175.8-179162.2-177.81558.3109.9L180 P181 E183 V194 F208 W220L180-R206 VanDerWaalsContact CD2-CZ 3.48Å; P181-R206 PolarHBondContact O-NH2 3.34Å; E183-R206 HydrophobicContact CG-CG 4.01Å; E183-R206 WeakPolarHBondContact OE1-CD 3.17Å; E183-R206 WeakPolarHBondContact OE1-CG 3.38Å; E183-R206 IonicContact OE1-CZ 3.78Å; E183-R206 IonicContact OE1-NE 2.84Å; V194-R206 PolarHBondContact N-O 3.49Å; V194-R206 PolarHBondContact O-N 2.84Å; R206-F208 HydrophobicContact CB-CE2 3.68Å; R206-F208 HydrophobicContact CB-CZ 3.9Å; R206-F208 HydrophobicContact CG-CD2 4.37Å; R206-F208 HydrophobicContact CG-CE1 4.09Å; R206-F208 HydrophobicContact CG-CE2 3.7Å; R206-F208 HydrophobicContact CG-CZ 3.55Å; R206-W220 HydrophobicContact CB-CD2 4.44Å; R206-W220 HydrophobicContact CB-CH2 3.81Å; R206-W220 HydrophobicContact CB-CZ2 3.48Å; R206-W220 VanDerWaalsContact CB-CZ2 3.48Å; R206-W220 HydrophobicContact CB-CZ3 4.41Å
207R91Very high89.5Confident80 Ų8060.6 Ų60.630%0.30232%0.318SS..EExtended strand (participates in β ladder)trans-90.4142.2175.9-67.8-174.6-61.4-102.8-8.7110.1P184 V191 V192P184-R207 VanDerWaalsContact CD-O 3.3Å; P184-R207 WeakPolarHBondContact CD-O 3.3Å; P184-R207 HydrophobicContact CG-CB 4.03Å; P184-R207 PolarHBondContact O-NE 3.06Å; P184-R207 PolarHBondContact O-NH2 3.13Å; V191-R207 HydrophobicContact CG1-CB 3.7Å; V191-R207 HydrophobicContact CG1-CG 4.03Å; V192-R207 CarbonylContact O-C 3.49Å; V192-R207 WeakPolarHBondContact O-CA 3.22Å
208F90Very high89.3Confident2 Ų254.2 Ų54.21%0.00929%0.294CS..EExtended strand (participates in β ladder)trans-137.9154.6177.4-61.6-82.6000109.7V191 V192 V194 R206 Y212 V216 L217 W220 L250V191-F208 WeakPolarHBondContact CA-O 3.5Å; V192-F208 PolarHBondContact N-O 2.91Å; V192-F208 PolarHBondContact O-N 2.88Å; V194-F208 HydrophobicContact CB-CD2 3.82Å; V194-F208 HydrophobicContact CB-CE2 3.89Å; V194-F208 HydrophobicContact CG2-CD2 3.68Å; V194-F208 HydrophobicContact CG2-CE2 4.22Å; R206-F208 HydrophobicContact CB-CE2 3.68Å; R206-F208 HydrophobicContact CB-CZ 3.9Å; R206-F208 HydrophobicContact CG-CD2 4.37Å; R206-F208 HydrophobicContact CG-CE1 4.09Å; R206-F208 HydrophobicContact CG-CE2 3.7Å; R206-F208 HydrophobicContact CG-CZ 3.55Å; F208-Y212 HydrophobicContact CB-CD2 4.38Å; F208-Y212 HydrophobicContact CD1-CD2 4.21Å; F208-V216 HydrophobicContact CD1-CG1 3.93Å; F208-V216 HydrophobicContact CE1-CG1 3.72Å; F208-L217 HydrophobicContact CD2-CD2 4.11Å; F208-L217 HydrophobicContact CE2-CD2 3.83Å; F208-L217 HydrophobicContact CZ-CD2 4.04Å; F208-W220 HydrophobicContact CE2-CD2 4.38Å; F208-W220 AromaticContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CZ3 4.02Å; F208-W220 HydrophobicContact CZ-CB 4.38Å; F208-W220 AromaticContact CZ-CD2 3.83Å; F208-W220 HydrophobicContact CZ-CD2 3.83Å; F208-W220 AromaticContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CG 4.13Å; F208-W220 HydrophobicContact CZ-CZ3 4.27Å; F208-L250 HydrophobicContact CB-CD1 3.59Å; F208-L250 HydrophobicContact CG-CD1 4.3Å
209L89.4Confident89.3Confident40 Ų4056.2 Ų56.221%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-82.9144.1170.9-68.6171.9000109.7P184 E190 V191 S211 Y212 L250P184-L209 HydrophobicContact CB-CD2 4.16Å; P184-L209 HydrophobicContact CB-CG 4.17Å; P184-L209 HydrophobicContact CG-CG 4.26Å; E190-L209 WeakPolarHBondContact O-CA 3.42Å; V191-L209 HydrophobicContact CG2-CD2 3.75Å; L209-S211 PolarHBondContact O-N 3.41Å; L209-Y212 HydrophobicContact CB-CD1 3.81Å; L209-Y212 HydrophobicContact CB-CD2 4.42Å; L209-Y212 HydrophobicContact CB-CE1 3.93Å; L209-Y212 HydrophobicContact CB-CE2 4.5Å; L209-Y212 HydrophobicContact CB-CG 4.09Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CE1 3.61Å; L209-Y212 HydrophobicContact CG-CE1 4.16Å; L209-Y212 WeakPolarHBondContact O-CB 3.17Å; L209-Y212 PolarHBondContact O-N 3.37Å; L209-L250 WeakPolarHBondContact O-CD1 3.39Å
210K89.6Confident89.4Confident54 Ų5453.4 Ų53.424%0.23528%0.283CS..THydrogen-bonded Turntrans-56.9-33.9177.5-70.5172.7-175.1177.50113.1E190 V192 Y212 L250 E251 T256E190-K210 HydrophobicContact CB-CD 4.28Å; E190-K210 WeakPolarHBondContact O-CG 3.01Å; E190-K210 PolarHBondContact O-N 2.79Å; V192-K210 HydrophobicContact CG2-CD 4.29Å; V192-K210 HydrophobicContact CG2-CG 3.59Å; K210-Y212 VanDerWaalsContact C-N 3.26Å; K210-Y212 PolarHBondContact O-N 2.96Å; K210-L250 PolarHBondContact O-N 3.17Å; K210-E251 HydrophobicContact CB-CB 4.45Å; K210-E251 PolarHBondContact O-N 3.44Å; K210-T256 VanDerWaalsContact CE-O 3.25Å; K210-T256 WeakPolarHBondContact CE-O 3.41Å
211S87.3Confident89.6Confident74 Ų7450.1 Ų50.152%0.51726%0.26SS..THydrogen-bonded Turntrans-74.9-7.7178.656.40000114.6L209L209-S211 PolarHBondContact O-N 3.41Å
212Y88.5Confident89.8Confident58 Ų5849 Ų4923%0.22724%0.241CC..SBendtrans-68.9147.8178.1-77.41.9000111.8P181 F208 L209 K210 V216 S249 L250P181-Y212 HydrophobicContact CB-CE2 4.02Å; P181-Y212 HydrophobicContact CG-CD2 4.19Å; P181-Y212 HydrophobicContact CG-CE2 3.59Å; F208-Y212 HydrophobicContact CB-CD2 4.38Å; F208-Y212 HydrophobicContact CD1-CD2 4.21Å; L209-Y212 HydrophobicContact CB-CD1 3.81Å; L209-Y212 HydrophobicContact CB-CD2 4.42Å; L209-Y212 HydrophobicContact CB-CE1 3.93Å; L209-Y212 HydrophobicContact CB-CE2 4.5Å; L209-Y212 HydrophobicContact CB-CG 4.09Å; L209-Y212 HydrophobicContact CD1-CD1 4.32Å; L209-Y212 HydrophobicContact CD1-CE1 3.61Å; L209-Y212 HydrophobicContact CG-CE1 4.16Å; L209-Y212 WeakPolarHBondContact O-CB 3.17Å; L209-Y212 PolarHBondContact O-N 3.37Å; K210-Y212 VanDerWaalsContact C-N 3.26Å; K210-Y212 PolarHBondContact O-N 2.96Å; Y212-V216 HydrophobicContact CD2-CG1 4.39Å; Y212-S249 CarbonylContact O-C 3.16Å; Y212-S249 VanDerWaalsContact O-CA 3.3Å; Y212-S249 WeakPolarHBondContact O-CA 3.38Å; Y212-L250 PolarHBondContact O-N 2.89Å
213S89.8Confident89.8Confident34 Ų3450.3 Ų50.324%0.23824%0.238CC..BIsolated β-bridgetrans-63.9142.5172.5176.50000110.7Q215 V216S213-Q215 PolarHBondContact O-N 2.99Å; S213-Q215 VanDerWaalsContact O-N 3.15Å; S213-Q215 WeakPolarHBondContact OG-CB 3.49Å; S213-Q215 PolarHBondContact OG-N 3.21Å; S213-V216 WeakPolarHBondContact O-CB 3.24Å; S213-V216 WeakPolarHBondContact O-CG2 3.29Å; S213-V216 PolarHBondContact O-N 3.5Å
214S88Confident89.5Confident1 Ų149.4 Ų49.41%0.00723%0.231CC..THydrogen-bonded Turntrans-54.7-28171.769.30000113.9V216 L217 F218 E245 Q248S214-V216 PolarHBondContact O-N 3.48Å; S214-L217 WeakPolarHBondContact O-CB 3.42Å; S214-L217 PolarHBondContact O-N 2.91Å; S214-L217 VanDerWaalsContact O-N 3.09Å; S214-F218 WeakPolarHBondContact O-CD2 3.38Å; S214-E245 PolarHBondContact OG-O 3.44Å; S214-Q248 WeakPolarHBondContact CB-O 3.31Å; S214-Q248 PolarHBondContact N-O 2.97Å; S214-Q248 PolarHBondContact OG-O 2.94Å
215Q88.4Confident89.4Confident92 Ų9249.5 Ų49.543%0.4325%0.247SC..Hα-helixtrans-56.7-33.9176.2-68.1174.8-19.100112.1S213 L217 F218 D219 G246S213-Q215 PolarHBondContact O-N 2.99Å; S213-Q215 VanDerWaalsContact O-N 3.15Å; S213-Q215 WeakPolarHBondContact OG-CB 3.49Å; S213-Q215 PolarHBondContact OG-N 3.21Å; Q215-L217 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; Q215-F218 WeakPolarHBondContact O-CA 3.47Å; Q215-F218 WeakPolarHBondContact O-CB 3.31Å; Q215-F218 PolarHBondContact O-N 3.43Å; Q215-D219 PolarHBondContact O-N 2.99Å; Q215-G246 VanDerWaalsContact NE2-CA 3.33Å
216V89.4Confident89.3Confident20 Ų2042 Ų4212%0.12122%0.219CC..Hα-helixtrans-60.3-29.3180179.20000111.8P181 F208 Y212 S213 S214 W220P181-V216 HydrophobicContact CG-CG1 3.91Å; F208-V216 HydrophobicContact CD1-CG1 3.93Å; F208-V216 HydrophobicContact CE1-CG1 3.72Å; Y212-V216 HydrophobicContact CD2-CG1 4.39Å; S213-V216 WeakPolarHBondContact O-CB 3.24Å; S213-V216 WeakPolarHBondContact O-CG2 3.29Å; S213-V216 PolarHBondContact O-N 3.5Å; S214-V216 PolarHBondContact O-N 3.48Å; V216-W220 WeakPolarHBondContact O-CB 3.18Å; V216-W220 PolarHBondContact O-N 2.96Å
217L89.7Confident89.2Confident1 Ų145.6 Ų45.61%0.00524%0.236CC..Hα-helixtrans-71-37.5174.9-64.1176.3000112.4V194 F208 S214 Q215 W220 M221 L233 L242 L250 I255 L261V194-L217 HydrophobicContact CG1-CD2 4.18Å; V194-L217 HydrophobicContact CG2-CD2 4.36Å; F208-L217 HydrophobicContact CD2-CD2 4.11Å; F208-L217 HydrophobicContact CE2-CD2 3.83Å; F208-L217 HydrophobicContact CZ-CD2 4.04Å; S214-L217 WeakPolarHBondContact O-CB 3.42Å; S214-L217 PolarHBondContact O-N 2.91Å; S214-L217 VanDerWaalsContact O-N 3.09Å; Q215-L217 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact O-N 3.14Å; L217-W220 WeakPolarHBondContact O-CB 3.29Å; L217-W220 PolarHBondContact O-N 2.93Å; L217-M221 WeakPolarHBondContact O-CB 3.36Å; L217-M221 PolarHBondContact O-N 3.41Å; L217-L233 HydrophobicContact CB-CD1 3.83Å; L217-L242 HydrophobicContact CD1-CD1 4.26Å; L217-L250 HydrophobicContact CD1-CD2 3.42Å; L217-L250 VanDerWaalsContact CD1-CD2 3.42Å; L217-L250 HydrophobicContact CD2-CD2 4.39Å; L217-L250 HydrophobicContact CG-CD2 3.79Å; L217-I255 HydrophobicContact CD1-CD1 3.74Å; L217-L261 HydrophobicContact CD1-CD1 3.82Å; L217-L261 HydrophobicContact CD2-CD1 4.37Å
218F89.8Confident89Confident5 Ų544.3 Ų44.32%0.02223%0.234CC..Hα-helixtrans-75.8-33.2177.5-65.9-73.6000111.8S214 Q215 W220 M221 T222 I228 L233 L242 V244S214-F218 WeakPolarHBondContact O-CD2 3.38Å; Q215-F218 WeakPolarHBondContact O-CA 3.47Å; Q215-F218 WeakPolarHBondContact O-CB 3.31Å; Q215-F218 PolarHBondContact O-N 3.43Å; F218-W220 VanDerWaalsContact C-N 3.34Å; F218-M221 HydrophobicContact CD1-SD 4.29Å; F218-M221 WeakPolarHBondContact O-CB 3.46Å; F218-M221 PolarHBondContact O-N 3.4Å; F218-T222 WeakPolarHBondContact O-CB 3.39Å; F218-T222 PolarHBondContact O-N 3Å; F218-T222 PolarHBondContact O-OG1 2.89Å; F218-I228 HydrophobicContact CB-CD1 3.67Å; F218-I228 HydrophobicContact CB-CG1 3.93Å; F218-I228 HydrophobicContact CD1-CG1 4.24Å; F218-I228 HydrophobicContact CD1-CG2 4.26Å; F218-I228 HydrophobicContact CG-CD1 4.44Å; F218-I228 HydrophobicContact CG-CG1 4.49Å; F218-L233 HydrophobicContact CD1-CD1 3.96Å; F218-L233 HydrophobicContact CD1-CG 4.35Å; F218-L233 HydrophobicContact CE1-CB 4.21Å; F218-L233 HydrophobicContact CE1-CD1 3.88Å; F218-L233 HydrophobicContact CE1-CG 4.04Å; F218-L233 HydrophobicContact CG-CD1 4.46Å; F218-L233 HydrophobicContact CZ-CD1 4.32Å; F218-L242 HydrophobicContact CZ-CB 4.11Å; F218-V244 HydrophobicContact CD1-CG2 4.12Å; F218-V244 HydrophobicContact CD2-CG1 4.47Å; F218-V244 HydrophobicContact CD2-CG2 4.29Å; F218-V244 HydrophobicContact CE1-CG2 3.68Å; F218-V244 HydrophobicContact CE2-CB 4.37Å; F218-V244 HydrophobicContact CE2-CG2 3.88Å; F218-V244 HydrophobicContact CG-CG2 4.41Å; F218-V244 HydrophobicContact CZ-CB 4.45Å; F218-V244 HydrophobicContact CZ-CG2 3.55Å
219D90.3Very high88.9Confident54 Ų5447.9 Ų47.929%0.28926%0.26SS..Hα-helixtrans-63.2-44.1168.8-70.4-18.9000110.5P178 L180 Q215 M221 T222 R223P178-D219 HydrophobicContact CB-CB 3.71Å; P178-D219 HydrophobicContact CG-CB 4.09Å; L180-D219 HydrophobicContact CD1-CB 3.95Å; Q215-D219 PolarHBondContact O-N 2.99Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.43Å; D219-T222 PolarHBondContact O-N 2.97Å; D219-R223 PolarHBondContact O-N 2.69Å
220W89.9Confident88.9Confident19 Ų1950 Ų507%0.07227%0.271CS..Hα-helixtrans-58.1-47.3175.6-172.129.6000111.8L180 V194 L196 L204 R206 F208 V216 L217 F218 T222 R223 I224L180-W220 VanDerWaalsContact CD2-CA 3.42Å; L180-W220 HydrophobicContact CD2-CB 3.46Å; L180-W220 VanDerWaalsContact CD2-CB 3.46Å; L180-W220 HydrophobicContact CD2-CG 3.72Å; V194-W220 HydrophobicContact CG1-CZ3 4.13Å; L196-W220 HydrophobicContact CB-CH2 3.57Å; L196-W220 HydrophobicContact CB-CZ2 4.48Å; L196-W220 HydrophobicContact CB-CZ3 3.6Å; L196-W220 HydrophobicContact CD2-CE3 4.38Å; L196-W220 HydrophobicContact CD2-CH2 4.45Å; L196-W220 HydrophobicContact CD2-CZ3 4.22Å; L196-W220 HydrophobicContact CG-CZ3 4.43Å; L204-W220 HydrophobicContact CB-CH2 4.25Å; L204-W220 HydrophobicContact CB-CZ2 3.87Å; R206-W220 HydrophobicContact CB-CD2 4.44Å; R206-W220 HydrophobicContact CB-CH2 3.81Å; R206-W220 HydrophobicContact CB-CZ2 3.48Å; R206-W220 VanDerWaalsContact CB-CZ2 3.48Å; R206-W220 HydrophobicContact CB-CZ3 4.41Å; F208-W220 HydrophobicContact CE2-CD2 4.38Å; F208-W220 AromaticContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CE3 3.89Å; F208-W220 HydrophobicContact CE2-CZ3 4.02Å; F208-W220 HydrophobicContact CZ-CB 4.38Å; F208-W220 AromaticContact CZ-CD2 3.83Å; F208-W220 HydrophobicContact CZ-CD2 3.83Å; F208-W220 AromaticContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CE3 3.7Å; F208-W220 HydrophobicContact CZ-CG 4.13Å; F208-W220 HydrophobicContact CZ-CZ3 4.27Å; V216-W220 WeakPolarHBondContact O-CB 3.18Å; V216-W220 PolarHBondContact O-N 2.96Å; L217-W220 WeakPolarHBondContact O-CB 3.29Å; L217-W220 PolarHBondContact O-N 2.93Å; F218-W220 VanDerWaalsContact C-N 3.34Å; W220-T222 VanDerWaalsContact C-N 3.31Å; W220-T222 PolarHBondContact O-N 3.4Å; W220-R223 PolarHBondContact O-N 3.24Å; W220-I224 HydrophobicContact CD2-CD1 3.93Å; W220-I224 HydrophobicContact CG-CD1 4.02Å; W220-I224 HydrophobicContact CZ2-CD1 4.1Å; W220-I224 WeakPolarHBondContact O-CD1 3.36Å; W220-I224 VanDerWaalsContact O-CG1 3.27Å; W220-I224 WeakPolarHBondContact O-CG1 3.49Å; W220-I224 PolarHBondContact O-N 3.36Å
221M89.6Confident88.9Confident0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-55.5-47175.5-175.9-167.3-138.200111.1L217 F218 D219 R223 I224 G225 Y226 Y231 L233 L263L217-M221 WeakPolarHBondContact O-CB 3.36Å; L217-M221 PolarHBondContact O-N 3.41Å; F218-M221 HydrophobicContact CD1-SD 4.29Å; F218-M221 WeakPolarHBondContact O-CB 3.46Å; F218-M221 PolarHBondContact O-N 3.4Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.43Å; M221-R223 PolarHBondContact O-N 3.32Å; M221-I224 PolarHBondContact O-N 2.99Å; M221-G225 PolarHBondContact O-N 2.93Å; M221-Y226 CarbonylContact C-O 3.56Å; M221-Y226 WeakPolarHBondContact CG-O 3.41Å; M221-Y226 PolarHBondContact O-N 3.46Å; M221-Y226 VanDerWaalsContact O-O 3.09Å; M221-Y231 VanDerWaalsContact CE-CB 3.45Å; M221-L233 HydrophobicContact CE-CD2 3.71Å; M221-L233 HydrophobicContact CE-CG 3.85Å; M221-L233 HydrophobicContact SD-CD2 4.34Å; M221-L233 HydrophobicContact SD-CG 4.14Å; M221-L263 HydrophobicContact CE-CB 4.5Å; M221-L263 HydrophobicContact CE-CD1 3.38Å; M221-L263 HydrophobicContact CE-CD2 4.29Å; M221-L263 HydrophobicContact CE-CG 3.42Å; M221-L263 VanDerWaalsContact CE-CG 3.42Å; M221-L263 HydrophobicContact CG-CD1 3.72Å; M221-L263 HydrophobicContact SD-CD1 4.43Å
222T89.6Confident89.1Confident39 Ų3948 Ų4824%0.23926%0.255CS..Hα-helixtrans-63.6-40.9178.6-56.80000111.7F218 D219 W220 I224 G225 Y226F218-T222 WeakPolarHBondContact O-CB 3.39Å; F218-T222 PolarHBondContact O-N 3Å; F218-T222 PolarHBondContact O-OG1 2.89Å; D219-T222 PolarHBondContact O-N 2.97Å; W220-T222 VanDerWaalsContact C-N 3.31Å; W220-T222 PolarHBondContact O-N 3.4Å; T222-I224 VanDerWaalsContact C-N 3.32Å; T222-I224 PolarHBondContact O-N 3.47Å; T222-G225 WeakPolarHBondContact O-CA 3.47Å; T222-G225 PolarHBondContact O-N 3.29Å; T222-Y226 VanDerWaalsContact CA-O 3.24Å; T222-Y226 WeakPolarHBondContact CA-O 3.28Å; T222-Y226 PolarHBondContact N-O 3.31Å
223R87.8Confident89.3Confident130 Ų13045.3 Ų45.349%0.49125%0.245SC..Hα-helixtrans-64.5-33.4175.4-178.1171.7178.8138.1-5.4113.3I177 L180 D219 W220 M221 G225I177-R223 HydrophobicContact CG2-CG 4.37Å; L180-R223 HydrophobicContact CD1-CB 4.01Å; D219-R223 PolarHBondContact O-N 2.69Å; W220-R223 PolarHBondContact O-N 3.24Å; M221-R223 PolarHBondContact O-N 3.32Å; R223-G225 PolarHBondContact O-N 3.19Å
224I88Confident89.4Confident55 Ų5543.8 Ų43.828%0.28224%0.235SC..Hα-helixtrans-71.8-18.4174.5-64.3158.2000111.2L196 L204 W220 M221 T222 Y226L196-I224 HydrophobicContact CD2-CD1 3.71Å; L204-I224 HydrophobicContact CD1-CB 4.3Å; L204-I224 HydrophobicContact CD1-CD1 3.44Å; L204-I224 VanDerWaalsContact CD1-CD1 3.44Å; L204-I224 HydrophobicContact CD1-CG1 3.73Å; L204-I224 HydrophobicContact CD1-CG2 3.53Å; W220-I224 HydrophobicContact CD2-CD1 3.93Å; W220-I224 HydrophobicContact CG-CD1 4.02Å; W220-I224 HydrophobicContact CZ2-CD1 4.1Å; W220-I224 WeakPolarHBondContact O-CD1 3.36Å; W220-I224 VanDerWaalsContact O-CG1 3.27Å; W220-I224 WeakPolarHBondContact O-CG1 3.49Å; W220-I224 PolarHBondContact O-N 3.36Å; M221-I224 PolarHBondContact O-N 2.99Å; T222-I224 VanDerWaalsContact C-N 3.32Å; T222-I224 PolarHBondContact O-N 3.47Å; I224-Y226 HydrophobicContact CB-CD2 4.25Å; I224-Y226 HydrophobicContact CG2-CD2 3.7Å; I224-Y226 HydrophobicContact CG2-CE2 3.71Å
225G88.4Confident89.6Confident64 Ų6445.4 Ų45.466%0.6624%0.244SC*.THydrogen-bonded Turntrans108.59.8178.700000114.3M221 T222 R223M221-G225 PolarHBondContact O-N 2.93Å; T222-G225 WeakPolarHBondContact O-CA 3.47Å; T222-G225 PolarHBondContact O-N 3.29Å; R223-G225 PolarHBondContact O-N 3.19Å
226Y89.3Confident89.5Confident37 Ų3743.6 Ų43.615%0.14524%0.242CC..  trans-102.6116.1175.9-64.6-75.7000109.6C198 S200 M221 T222 I224 Y231 L263C198-Y226 HydrophobicContact CB-CE2 4.15Å; S200-Y226 PolarHBondContact OG-OH 3.01Å; M221-Y226 CarbonylContact C-O 3.56Å; M221-Y226 WeakPolarHBondContact CG-O 3.41Å; M221-Y226 PolarHBondContact O-N 3.46Å; M221-Y226 VanDerWaalsContact O-O 3.09Å; T222-Y226 VanDerWaalsContact CA-O 3.24Å; T222-Y226 WeakPolarHBondContact CA-O 3.28Å; T222-Y226 PolarHBondContact N-O 3.31Å; I224-Y226 HydrophobicContact CB-CD2 4.25Å; I224-Y226 HydrophobicContact CG2-CD2 3.7Å; I224-Y226 HydrophobicContact CG2-CE2 3.71Å; Y226-Y231 HydrophobicContact CD1-CD1 4.27Å; Y226-Y231 AromaticContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CE1 4.09Å; Y226-Y231 AromaticContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CG 4.13Å; Y226-Y231 AromaticContact CD1-CZ 3.79Å; Y226-Y231 HydrophobicContact CE1-CE1 4.36Å; Y226-Y231 HydrophobicContact CE1-CE2 4.43Å; Y226-Y231 HydrophobicContact CG-CD2 4.45Å; Y226-L263 HydrophobicContact CD1-CD1 4.31Å; Y226-L263 HydrophobicContact CD1-CD2 3.54Å; Y226-L263 HydrophobicContact CD2-CD1 3.65Å; Y226-L263 HydrophobicContact CD2-CD2 4.27Å; Y226-L263 HydrophobicContact CE1-CD2 3.87Å; Y226-L263 HydrophobicContact CE2-CD1 4.29Å; Y226-L263 HydrophobicContact CG-CD1 3.67Å; Y226-L263 HydrophobicContact CG-CD2 3.77Å; Y226-L263 HydrophobicContact CG-CG 4.4Å
227H89.1Confident89.2Confident98 Ų9851.6 Ų51.645%0.45428%0.275SS..  trans-87.4140.9-177.4-166.3-102.6000112S229 L230 Y231H227-S229 PolarHBondContact CE1-OG 3.38Å; H227-S229 WeakPolarHBondContact ND1-CB 3.37Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 3.37Å; H227-S229 PolarHBondContact O-N 3.46Å; H227-S229 VanDerWaalsContact O-N 3.13Å; H227-L230 PolarHBondContact O-N 3.03Å; H227-Y231 PolarHBondContact O-N 2.99Å
228I87.9Confident89.1Confident53 Ų5354.9 Ų54.927%0.27230%0.297SS..THydrogen-bonded Turntrans-58.4-28.4-177-52.9165.6000112.5F218 L230 Y231 V244F218-I228 HydrophobicContact CB-CD1 3.67Å; F218-I228 HydrophobicContact CB-CG1 3.93Å; F218-I228 HydrophobicContact CD1-CG1 4.24Å; F218-I228 HydrophobicContact CD1-CG2 4.26Å; F218-I228 HydrophobicContact CG-CD1 4.44Å; F218-I228 HydrophobicContact CG-CG1 4.49Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; I228-Y231 VanDerWaalsContact O-O 3.12Å; I228-V244 HydrophobicContact CG2-CG2 3.95Å
229S87.3Confident89Confident78 Ų7863 Ų6355%0.54533%0.327SS..THydrogen-bonded Turntrans-68.6-28.7177.2-49.50000113.6H227H227-S229 PolarHBondContact CE1-OG 3.38Å; H227-S229 WeakPolarHBondContact ND1-CB 3.37Å; H227-S229 PolarHBondContact ND1-N 2.98Å; H227-S229 PolarHBondContact ND1-OG 3.37Å; H227-S229 PolarHBondContact O-N 3.46Å; H227-S229 VanDerWaalsContact O-N 3.13Å
230L88.7Confident88.9Confident84 Ų8468.3 Ų68.344%0.4434%0.343SS..THydrogen-bonded Turntrans-104.5-24.7-174.8-63.6177.3000112.4H227 I228 K266H227-L230 PolarHBondContact O-N 3.03Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 3.42Å; L230-K266 PolarHBondContact O-N 2.92Å
231Y90.7Very high88.8Confident56 Ų5672 Ų7222%0.2237%0.37CS..EExtended strand (participates in β ladder)trans-131.2143.1-174.6-62.8-86.2000111.3P199 M221 Y226 H227 I228 L263 E264 E265P199-Y231 HydrophobicContact CG-CE1 4.15Å; M221-Y231 VanDerWaalsContact CE-CB 3.45Å; Y226-Y231 HydrophobicContact CD1-CD1 4.27Å; Y226-Y231 AromaticContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CD2 3.83Å; Y226-Y231 HydrophobicContact CD1-CE1 4.09Å; Y226-Y231 AromaticContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CE2 3.67Å; Y226-Y231 HydrophobicContact CD1-CG 4.13Å; Y226-Y231 AromaticContact CD1-CZ 3.79Å; Y226-Y231 HydrophobicContact CE1-CE1 4.36Å; Y226-Y231 HydrophobicContact CE1-CE2 4.43Å; Y226-Y231 HydrophobicContact CG-CD2 4.45Å; H227-Y231 PolarHBondContact O-N 2.99Å; I228-Y231 VanDerWaalsContact O-O 3.12Å; Y231-L263 HydrophobicContact CD1-CD2 3.32Å; Y231-L263 HydrophobicContact CD1-CG 4.44Å; Y231-L263 HydrophobicContact CE1-CD2 3.93Å; Y231-L263 HydrophobicContact CG-CD2 3.72Å; Y231-E264 CarbonylContact C-O 3.57Å; Y231-E264 WeakPolarHBondContact CA-O 3.18Å; Y231-E264 WeakPolarHBondContact CB-O 3.08Å; Y231-E265 HydrophobicContact CD1-CB 4.35Å; Y231-E265 HydrophobicContact CE1-CB 4.3Å
232S91.1Very high88.7Confident29 Ų2972.9 Ų72.920%0.20337%0.374CS..EExtended strand (participates in β ladder)trans-114.1154.1172.255.30000111.2E264S232-E264 PolarHBondContact N-O 3.38Å; S232-E264 PolarHBondContact O-N 3.47Å
233L92Very high88.1Confident2 Ų273.8 Ų73.81%0.0139%0.386CS..EExtended strand (participates in β ladder)trans-95.9131.5172-67.6175.9000109L196 L217 F218 M221 P241 L242 L261L196-L233 HydrophobicContact CD1-CD2 3.3Å; L217-L233 HydrophobicContact CB-CD1 3.83Å; F218-L233 HydrophobicContact CD1-CD1 3.96Å; F218-L233 HydrophobicContact CD1-CG 4.35Å; F218-L233 HydrophobicContact CE1-CB 4.21Å; F218-L233 HydrophobicContact CE1-CD1 3.88Å; F218-L233 HydrophobicContact CE1-CG 4.04Å; F218-L233 HydrophobicContact CG-CD1 4.46Å; F218-L233 HydrophobicContact CZ-CD1 4.32Å; M221-L233 HydrophobicContact CE-CD2 3.71Å; M221-L233 HydrophobicContact CE-CG 3.85Å; M221-L233 HydrophobicContact SD-CD2 4.34Å; M221-L233 HydrophobicContact SD-CG 4.14Å; L233-P241 CarbonylContact O-C 3.57Å; L233-L242 HydrophobicContact CB-CB 4.31Å; L233-L242 HydrophobicContact CB-CD1 3.94Å; L233-L242 HydrophobicContact CB-CG 4.23Å; L233-L242 WeakPolarHBondContact O-CB 3.36Å; L233-L242 PolarHBondContact O-N 3.25Å; L233-L261 HydrophobicContact CD1-CD1 4.48Å
234S92.1Very high87.3Confident3 Ų371.8 Ų71.82%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-126.8145.1178.3-640000110.8R240 L261 I262 E264S234-R240 CarbonylContact C-O 3.58Å; S234-R240 VanDerWaalsContact CA-O 3.3Å; S234-R240 WeakPolarHBondContact CA-O 3.46Å; S234-L261 CarbonylContact O-C 3.5Å; S234-L261 WeakPolarHBondContact O-CA 3.33Å; S234-I262 PolarHBondContact N-O 2.97Å; S234-I262 PolarHBondContact O-N 3.36Å; S234-E264 VanDerWaalsContact CB-OE2 3.32Å; S234-E264 WeakPolarHBondContact CB-OE2 3.42Å; S234-E264 PolarHBondContact OG-OE2 2.94Å
235T91.8Very high86.5Confident34 Ų3474.5 Ų74.521%0.20940%0.399CS..EExtended strand (participates in β ladder)trans-71.3157.417254.80000111.4P238 R239 R240 L242 L261T235-P238 PolarHBondContact OG1-O 3.25Å; T235-R239 WeakPolarHBondContact O-CA 3.49Å; T235-R240 PolarHBondContact N-O 3.41Å; T235-R240 PolarHBondContact OG1-N 3.47Å; T235-R240 PolarHBondContact OG1-O 3.11Å; T235-L242 HydrophobicContact CG2-CD2 3.93Å; T235-L261 HydrophobicContact CG2-CD2 4.35Å
236S87.2Confident85.5Confident55 Ų5573.9 Ų73.939%0.38539%0.393SS..SBendtrans-71.7-53.818060.20000113.7R239 V260S236-R239 WeakPolarHBondContact O-CG 3.47Å; S236-V260 PolarHBondContact N-O 3.16Å
237F83.8Confident84.6Confident187 Ų18775.2 Ų75.282%0.8242%0.418SS*.SBendtrans-156129.2178.6-172.2-96.9000112.3
238P87.2Confident84.3Confident70 Ų7073.4 Ų73.446%0.45541%0.41SS..SBendcis-62.7141.6-12.728.6-34.3000110.1T235 R240T235-P238 PolarHBondContact OG1-O 3.25Å; P238-R240 PolarHBondContact O-N 3.45Å
239R87.8Confident84.4Confident175 Ų17571.5 Ų71.566%0.6640%0.401SS*.  trans-66.2117.1-179.5-69.7-169.9-175.4-162.36.5109.9T235 S236 E264T235-R239 WeakPolarHBondContact O-CA 3.49Å; S236-R239 WeakPolarHBondContact O-CG 3.47Å; R239-E264 IonicContact NH1-OE1 2.68Å
240R88Confident84.5Confident167 Ų16767.9 Ų67.963%0.6338%0.375SS*.  trans-139.4131176.8-66.8-176.9178.9175.1-0.6109.1S234 T235 P238S234-R240 CarbonylContact C-O 3.58Å; S234-R240 VanDerWaalsContact CA-O 3.3Å; S234-R240 WeakPolarHBondContact CA-O 3.46Å; T235-R240 PolarHBondContact N-O 3.41Å; T235-R240 PolarHBondContact OG1-N 3.47Å; T235-R240 PolarHBondContact OG1-O 3.11Å; P238-R240 PolarHBondContact O-N 3.45Å
241P88.6Confident84.4Confident96 Ų9668.6 Ų68.662%0.62338%0.376SS*.BIsolated β-bridgetrans-68.2136.317229-33000109.4L233 A243L233-P241 CarbonylContact O-C 3.57Å; P241-A243 PolarHBondContact O-N 3.08Å
242L86.3Confident84.3Confident18 Ų1871.1 Ų71.19%0.09439%0.394CS..PPolyproline II helixtrans-75.1122.4172.6-60.2-172.1000108.5L217 F218 L233 T235 I253 I255 L261L217-L242 HydrophobicContact CD1-CD1 4.26Å; F218-L242 HydrophobicContact CZ-CB 4.11Å; L233-L242 HydrophobicContact CB-CB 4.31Å; L233-L242 HydrophobicContact CB-CD1 3.94Å; L233-L242 HydrophobicContact CB-CG 4.23Å; L233-L242 WeakPolarHBondContact O-CB 3.36Å; L233-L242 PolarHBondContact O-N 3.25Å; T235-L242 HydrophobicContact CG2-CD2 3.93Å; L242-I253 HydrophobicContact CD2-CG2 3.56Å; L242-I255 HydrophobicContact CD1-CD1 4.36Å; L242-L261 HydrophobicContact CD1-CD1 4.06Å; L242-L261 HydrophobicContact CD1-CD2 3.96Å
243A78.1Confident84Confident58 Ų5871.6 Ų71.648%0.47939%0.394SS..PPolyproline II helixtrans-70.913617300000109.5P241 E245P241-A243 PolarHBondContact O-N 3.08Å; A243-E245 HydrophobicContact CB-CB 4.45Å; A243-E245 PolarHBondContact O-N 3.04Å
244V69.9Low83.7Confident88 Ų8873.8 Ų73.853%0.53342%0.417SS..  trans-78.162.7168.9-171.10000107.6F218 I228F218-V244 HydrophobicContact CD1-CG2 4.12Å; F218-V244 HydrophobicContact CD2-CG1 4.47Å; F218-V244 HydrophobicContact CD2-CG2 4.29Å; F218-V244 HydrophobicContact CE1-CG2 3.68Å; F218-V244 HydrophobicContact CE2-CB 4.37Å; F218-V244 HydrophobicContact CE2-CG2 3.88Å; F218-V244 HydrophobicContact CG-CG2 4.41Å; F218-V244 HydrophobicContact CZ-CB 4.45Å; F218-V244 HydrophobicContact CZ-CG2 3.55Å; I228-V244 HydrophobicContact CG2-CG2 3.95Å
245E70.9Confident83.4Confident112 Ų11273.8 Ų73.852%0.52342%0.417SS..  trans-93.8110.1175.2-158.3164.2-165.100107.6S214 A243 G247 Q248S214-E245 PolarHBondContact OG-O 3.44Å; A243-E245 HydrophobicContact CB-CB 4.45Å; A243-E245 PolarHBondContact O-N 3.04Å; E245-G247 PolarHBondContact O-N 3.34Å; E245-Q248 PolarHBondContact OE2-NE2 3.43Å
246G68Low83.2Confident51 Ų5175.6 Ų75.653%0.52643%0.428SS..THydrogen-bonded Turntrans-64127.6-17600000111.1Q215Q215-G246 VanDerWaalsContact NE2-CA 3.33Å
247G70.9Confident83.3Confident65 Ų6577.5 Ų77.567%0.6744%0.437SS*.THydrogen-bonded Turntrans102-117200000116.2E245E245-G247 PolarHBondContact O-N 3.34Å
248Q83Confident83.6Confident61 Ų6173.8 Ų73.829%0.28543%0.426SS..  trans-80.2137.2168.8-72.3174.114.900110.7S214 E245 D252 I253S214-Q248 WeakPolarHBondContact CB-O 3.31Å; S214-Q248 PolarHBondContact N-O 2.97Å; S214-Q248 PolarHBondContact OG-O 2.94Å; E245-Q248 PolarHBondContact OE2-NE2 3.43Å; Q248-D252 HydrophobicContact CB-CB 4.26Å; Q248-I253 HydrophobicContact CB-CD1 4.1Å; Q248-I253 HydrophobicContact CB-CG1 3.97Å
249S89.4Confident83.8Confident13 Ų1371.9 Ų71.99%0.09141%0.412CS..BIsolated β-bridgetrans-75.5166.1172.6680000111.4Y212 E251 D252 I253Y212-S249 CarbonylContact O-C 3.16Å; Y212-S249 VanDerWaalsContact O-CA 3.3Å; Y212-S249 WeakPolarHBondContact O-CA 3.38Å; S249-E251 PolarHBondContact O-N 2.96Å; S249-E251 WeakPolarHBondContact OG-CG 3.27Å; S249-D252 WeakPolarHBondContact CB-OD2 2.93Å; S249-D252 PolarHBondContact N-OD2 2.9Å; S249-D252 PolarHBondContact O-N 3.04Å; S249-D252 PolarHBondContact OG-N 3.43Å; S249-D252 PolarHBondContact OG-OD2 3.4Å; S249-I253 PolarHBondContact O-N 3.37Å
250L88.1Confident84.1Confident1 Ų165.7 Ų65.71%0.00539%0.394CS..THydrogen-bonded Turntrans-61.9-35.5175.2-68.3-177.8000111.8F208 L209 K210 Y212 L217 I253 G254 I255F208-L250 HydrophobicContact CB-CD1 3.59Å; F208-L250 HydrophobicContact CG-CD1 4.3Å; L209-L250 WeakPolarHBondContact O-CD1 3.39Å; K210-L250 PolarHBondContact O-N 3.17Å; Y212-L250 PolarHBondContact O-N 2.89Å; L217-L250 HydrophobicContact CD1-CD2 3.42Å; L217-L250 VanDerWaalsContact CD1-CD2 3.42Å; L217-L250 HydrophobicContact CD2-CD2 4.39Å; L217-L250 HydrophobicContact CG-CD2 3.79Å; L250-I253 PolarHBondContact O-N 3.38Å; L250-G254 PolarHBondContact O-N 3.26Å; L250-I255 HydrophobicContact CB-CB 4.18Å; L250-I255 HydrophobicContact CB-CG2 4.42Å; L250-I255 HydrophobicContact CD2-CD1 3.98Å; L250-I255 WeakPolarHBondContact O-CA 3.37Å; L250-I255 VanDerWaalsContact O-CB 3.31Å; L250-I255 WeakPolarHBondContact O-CB 3.35Å; L250-I255 PolarHBondContact O-N 2.95Å
251E87.9Confident84.3Confident99 Ų9957.8 Ų57.846%0.46336%0.364SS..THydrogen-bonded Turntrans-65.8-40175.157.6180-173.200112.7K210 S249 I253 G254 T256K210-E251 HydrophobicContact CB-CB 4.45Å; K210-E251 PolarHBondContact O-N 3.44Å; S249-E251 PolarHBondContact O-N 2.96Å; S249-E251 WeakPolarHBondContact OG-CG 3.27Å; E251-I253 PolarHBondContact O-N 2.83Å; E251-G254 WeakPolarHBondContact O-CA 3.33Å; E251-G254 PolarHBondContact O-N 3.48Å; E251-T256 HydrophobicContact CB-CG2 4.49Å
252D87.4Confident84.6Confident110 Ų11054.8 Ų54.859%0.58834%0.343SS*.THydrogen-bonded Turntrans-63.1-33178.7-64.6-39.4000112.3Q248 S249 G254Q248-D252 HydrophobicContact CB-CB 4.26Å; S249-D252 WeakPolarHBondContact CB-OD2 2.93Å; S249-D252 PolarHBondContact N-OD2 2.9Å; S249-D252 PolarHBondContact O-N 3.04Å; S249-D252 PolarHBondContact OG-N 3.43Å; S249-D252 PolarHBondContact OG-OD2 3.4Å; D252-G254 PolarHBondContact O-N 3.15Å
253I85.8Confident84.9Confident39 Ų3954.2 Ų54.220%0.234%0.34CS..THydrogen-bonded Turntrans-78.6-8.9177.1-66.6-178.8000112L242 Q248 S249 L250 E251 I255L242-I253 HydrophobicContact CD2-CG2 3.56Å; Q248-I253 HydrophobicContact CB-CD1 4.1Å; Q248-I253 HydrophobicContact CB-CG1 3.97Å; S249-I253 PolarHBondContact O-N 3.37Å; L250-I253 PolarHBondContact O-N 3.38Å; E251-I253 PolarHBondContact O-N 2.83Å; I253-I255 HydrophobicContact CG2-CD1 4.3Å; I253-I255 HydrophobicContact CG2-CG1 4.48Å
254G84.6Confident85.5Confident48 Ų4854.4 Ų54.450%0.49533%0.331SS..THydrogen-bonded Turntrans91.815.6-179.800000114.2L250 E251 D252 T256L250-G254 PolarHBondContact O-N 3.26Å; E251-G254 WeakPolarHBondContact O-CA 3.33Å; E251-G254 PolarHBondContact O-N 3.48Å; D252-G254 PolarHBondContact O-N 3.15Å; G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 2.86Å; G254-T256 VanDerWaalsContact O-N 3.16Å
255I86.6Confident86.5Confident3 Ų357.2 Ų57.22%0.01534%0.338CS..  trans-87.869.7172.6-60169.1000108.4V192 V194 L217 L242 L250 I253 T259 L261V192-I255 HydrophobicContact CG1-CG2 3.77Å; V194-I255 HydrophobicContact CG2-CG2 4.16Å; L217-I255 HydrophobicContact CD1-CD1 3.74Å; L242-I255 HydrophobicContact CD1-CD1 4.36Å; L250-I255 HydrophobicContact CB-CB 4.18Å; L250-I255 HydrophobicContact CB-CG2 4.42Å; L250-I255 HydrophobicContact CD2-CD1 3.98Å; L250-I255 WeakPolarHBondContact O-CA 3.37Å; L250-I255 VanDerWaalsContact O-CB 3.31Å; L250-I255 WeakPolarHBondContact O-CB 3.35Å; L250-I255 PolarHBondContact O-N 2.95Å; I253-I255 HydrophobicContact CG2-CD1 4.3Å; I253-I255 HydrophobicContact CG2-CG1 4.48Å; I255-T259 HydrophobicContact CB-CG2 4.46Å; I255-T259 HydrophobicContact CG1-CG2 4.42Å; I255-T259 HydrophobicContact CG2-CG2 4.12Å; I255-T259 WeakPolarHBondContact CG2-OG1 3.39Å; I255-L261 HydrophobicContact CD1-CD1 4.48Å; I255-L261 HydrophobicContact CD1-CD2 4.48Å
256T87.8Confident87.3Confident72 Ų7257.4 Ų57.444%0.44234%0.337SS..  trans-94.2-22.8-178.252.40000113.6K210 E251 G254K210-T256 VanDerWaalsContact CE-O 3.25Å; K210-T256 WeakPolarHBondContact CE-O 3.41Å; E251-T256 HydrophobicContact CB-CG2 4.49Å; G254-T256 VanDerWaalsContact C-N 3.28Å; G254-T256 PolarHBondContact O-N 2.86Å; G254-T256 VanDerWaalsContact O-N 3.16Å
257V89.3Confident87.8Confident95 Ų9563.6 Ų63.658%0.57635%0.352SS*.SBendtrans-126171-179.1-62.50000109.9V192 T259V192-V257 WeakPolarHBondContact CG1-O 3.21Å; V257-T259 HydrophobicContact CG2-CG2 4.41Å; V257-T259 WeakPolarHBondContact O-CG2 3.44Å; V257-T259 PolarHBondContact O-N 2.91Å
258D91Very high87.9Confident109 Ų10968.1 Ų68.158%0.58336%0.356SS*.SBendtrans-53.1114172.8-71-11.5000110.5T193T193-D258 WeakPolarHBondContact CA-OD1 3.48Å; T193-D258 VanDerWaalsContact CB-OD1 3.29Å; T193-D258 WeakPolarHBondContact CB-OD1 3.16Å; T193-D258 PolarHBondContact N-OD1 3.16Å; T193-D258 VanDerWaalsContact O-CA 3.32Å; T193-D258 WeakPolarHBondContact O-CA 3.5Å; T193-D258 PolarHBondContact OG1-OD1 3.46Å
259T91.1Very high86.7Confident29 Ų2971.9 Ų71.918%0.17838%0.383CS..EExtended strand (participates in β ladder)trans-117.2152.1-172.356.50000111.9T193 V194 A195 I255 V257T193-T259 PolarHBondContact O-N 3.44Å; T193-T259 VanDerWaalsContact O-N 3.13Å; V194-T259 WeakPolarHBondContact CA-O 3.41Å; A195-T259 PolarHBondContact N-O 3.07Å; I255-T259 HydrophobicContact CB-CG2 4.46Å; I255-T259 HydrophobicContact CG1-CG2 4.42Å; I255-T259 HydrophobicContact CG2-CG2 4.12Å; I255-T259 WeakPolarHBondContact CG2-OG1 3.39Å; V257-T259 HydrophobicContact CG2-CG2 4.41Å; V257-T259 WeakPolarHBondContact O-CG2 3.44Å; V257-T259 PolarHBondContact O-N 2.91Å
260V93.1Very high84.4Confident46 Ų4682.4 Ų82.428%0.27944%0.439SS..EExtended strand (participates in β ladder)trans-107.6120.3172.3-177.60000108.3A195 R197 S236A195-V260 HydrophobicContact CB-CG2 4.29Å; A195-V260 CarbonylContact O-C 3.58Å; A195-V260 WeakPolarHBondContact O-CA 3.4Å; R197-V260 HydrophobicContact CG-CG1 3.86Å; S236-V260 PolarHBondContact N-O 3.16Å
261L93.3Very high84.2Confident1 Ų186.5 Ų86.51%0.00546%0.46CS..EExtended strand (participates in β ladder)trans-102.5142.5172.9-59.8-177.8000109.7V194 A195 L196 R197 L217 L233 S234 T235 L242 I255V194-L261 HydrophobicContact CG1-CB 4.49Å; V194-L261 HydrophobicContact CG1-CD1 3.53Å; V194-L261 HydrophobicContact CG1-CG 3.81Å; A195-L261 PolarHBondContact O-N 3.47Å; L196-L261 CarbonylContact C-O 3.59Å; L196-L261 WeakPolarHBondContact CA-O 3.27Å; L196-L261 HydrophobicContact CD1-CB 4.05Å; R197-L261 PolarHBondContact N-O 3.24Å; L217-L261 HydrophobicContact CD1-CD1 3.82Å; L217-L261 HydrophobicContact CD2-CD1 4.37Å; L233-L261 HydrophobicContact CD1-CD1 4.48Å; S234-L261 CarbonylContact O-C 3.5Å; S234-L261 WeakPolarHBondContact O-CA 3.33Å; T235-L261 HydrophobicContact CG2-CD2 4.35Å; L242-L261 HydrophobicContact CD1-CD1 4.06Å; L242-L261 HydrophobicContact CD1-CD2 3.96Å; I255-L261 HydrophobicContact CD1-CD1 4.48Å; I255-L261 HydrophobicContact CD1-CD2 4.48Å
262I93.8Very high84Confident33 Ų3385.8 Ų85.817%0.16946%0.46CS..EExtended strand (participates in β ladder)trans-110.3128179.3-55.3176.7000107.1S234 E264S234-I262 PolarHBondContact N-O 2.97Å; S234-I262 PolarHBondContact O-N 3.36Å; I262-E264 HydrophobicContact CB-CG 4.5Å; I262-E264 HydrophobicContact CG2-CG 3.8Å
263L92.6Very high83.8Confident6 Ų684.5 Ų84.53%0.03145%0.453CS..EExtended strand (participates in β ladder)trans-90.9112.1175.8-168.8144000108.5L196 R197 P199 M221 Y226 Y231L196-L263 HydrophobicContact CD1-CB 4.15Å; L196-L263 HydrophobicContact CD1-CD1 4.32Å; L196-L263 HydrophobicContact CD2-CD1 4.01Å; L196-L263 HydrophobicContact CG-CD1 4.41Å; R197-L263 VanDerWaalsContact O-CB 3.32Å; R197-L263 WeakPolarHBondContact O-CB 3.25Å; R197-L263 PolarHBondContact O-N 3.37Å; P199-L263 HydrophobicContact CG-CD2 3.61Å; P199-L263 WeakPolarHBondContact CG-O 3.01Å; M221-L263 HydrophobicContact CE-CB 4.5Å; M221-L263 HydrophobicContact CE-CD1 3.38Å; M221-L263 HydrophobicContact CE-CD2 4.29Å; M221-L263 HydrophobicContact CE-CG 3.42Å; M221-L263 VanDerWaalsContact CE-CG 3.42Å; M221-L263 HydrophobicContact CG-CD1 3.72Å; M221-L263 HydrophobicContact SD-CD1 4.43Å; Y226-L263 HydrophobicContact CD1-CD1 4.31Å; Y226-L263 HydrophobicContact CD1-CD2 3.54Å; Y226-L263 HydrophobicContact CD2-CD1 3.65Å; Y226-L263 HydrophobicContact CD2-CD2 4.27Å; Y226-L263 HydrophobicContact CE1-CD2 3.87Å; Y226-L263 HydrophobicContact CE2-CD1 4.29Å; Y226-L263 HydrophobicContact CG-CD1 3.67Å; Y226-L263 HydrophobicContact CG-CD2 3.77Å; Y226-L263 HydrophobicContact CG-CG 4.4Å; Y231-L263 HydrophobicContact CD1-CD2 3.32Å; Y231-L263 HydrophobicContact CD1-CG 4.44Å; Y231-L263 HydrophobicContact CE1-CD2 3.93Å; Y231-L263 HydrophobicContact CG-CD2 3.72Å
264E90.9Very high83.7Confident61 Ų6187.2 Ų87.229%0.28547%0.468SS..EExtended strand (participates in β ladder)trans-113.6147.3-174.7-64.4-177.2154.100109.9Y231 S232 S234 R239 I262Y231-E264 CarbonylContact C-O 3.57Å; Y231-E264 WeakPolarHBondContact CA-O 3.18Å; Y231-E264 WeakPolarHBondContact CB-O 3.08Å; S232-E264 PolarHBondContact N-O 3.38Å; S232-E264 PolarHBondContact O-N 3.47Å; S234-E264 VanDerWaalsContact CB-OE2 3.32Å; S234-E264 WeakPolarHBondContact CB-OE2 3.42Å; S234-E264 PolarHBondContact OG-OE2 2.94Å; R239-E264 IonicContact NH1-OE1 2.68Å; I262-E264 HydrophobicContact CB-CG 4.5Å; I262-E264 HydrophobicContact CG2-CG 3.8Å
265E90.7Very high83.6Confident147 Ų14789.6 Ų89.669%0.68747%0.466SS*.EExtended strand (participates in β ladder)trans-74.1129.5173.3-171.7172.1-173.300108.9Y231 E267Y231-E265 HydrophobicContact CD1-CB 4.35Å; Y231-E265 HydrophobicContact CE1-CB 4.3Å; E265-E267 PolarHBondContact O-N 3.32Å
266K87.8Confident83.4Confident117 Ų11795.4 Ų95.451%0.50950%0.496SS..PPolyproline II helixtrans-75.4122.4179.8-171.1177.4-179.4178.50108.5L230 Q268L230-K266 PolarHBondContact O-N 2.92Å; K266-Q268 PolarHBondContact O-N 2.69Å
267E79.3Confident83.1Confident180 Ų18097.1 Ų97.184%0.84150%0.5SS*.PPolyproline II helixtrans-61.4120.5172.5-67.6-173.8171.200109.3E265 T269E265-E267 PolarHBondContact O-N 3.32Å; E267-T269 PolarHBondContact O-N 3.09Å; E267-T269 VanDerWaalsContact O-N 3.11Å
268Q72.4Confident82.6Confident161 Ų16197.2 Ų97.275%0.75250%0.495SS*.  trans-70.9106.3172.8-70.1176.913.400107.7K266 N270K266-Q268 PolarHBondContact O-N 2.69Å; Q268-N270 PolarHBondContact O-N 3.13Å; Q268-N270 VanDerWaalsContact O-N 3.1Å
269T58.3Low81.9Confident139 Ų13996.3 Ų96.385%0.85349%0.487SS*.  trans-65.8106.7167.949.30000108E267E267-T269 PolarHBondContact O-N 3.09Å; E267-T269 VanDerWaalsContact O-N 3.11Å
270N40Very low81.1Confident235 Ų235102.4 Ų102.4100%1.25752%0.515SS*.  trans-690166.2-103.3-40.1000111Q268Q268-N270 PolarHBondContact O-N 3.13Å; Q268-N270 VanDerWaalsContact O-N 3.1Å

Retrieved 270 of 270 residues in 380.4 ms (Link to these results)