A0A5K4F4I2_SCHMA Loading...

Integrin

AlphaFold DB , UniProt , Accession A0A5K4F4I2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,286 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
1M53Low76.9Confident194 Ų194132.4 Ų132.496%0.95663%0.633SS**  0-640-94.4-160.6-140.500112.8T3 E4 F5M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.32Å; M1-E4 PolarHBondContact O-N 2.9Å; M1-F5 PolarHBondContact O-N 3.47Å; M1-F5 VanDerWaalsContact O-N 3.11Å
2L64.8Low77.3Confident155 Ų155127.3 Ų127.381%0.81262%0.616SS**Hα-helixtrans-61.3-34-178.9-87.7147.9000114.3Y6L2-Y6 PolarHBondContact O-N 2.94Å
3T72Confident77.6Confident106 Ų106123.5 Ų123.565%0.6560%0.6SS**Hα-helixtrans-72.2-37.1176.642.40000113.4M1 Y6 W7M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.32Å; T3-Y6 PolarHBondContact O-N 2.89Å; T3-W7 PolarHBondContact O-N 3.43Å
4E76.9Confident77.6Confident135 Ų135121.9 Ų121.963%0.63159%0.594SS**Hα-helixtrans-70-36.7175.7-69.5-164.8162.700111.8M1 Y6 W7 I8M1-E4 PolarHBondContact O-N 2.9Å; E4-Y6 VanDerWaalsContact C-N 3.3Å; E4-Y6 PolarHBondContact O-N 3.27Å; E4-W7 PolarHBondContact O-N 3.29Å; E4-I8 VanDerWaalsContact O-CG1 3.32Å; E4-I8 WeakPolarHBondContact O-CG1 3.48Å; E4-I8 PolarHBondContact O-N 3.37Å
5F79.3Confident77.1Confident141 Ų141124.3 Ų124.362%0.61860%0.596SS**Hα-helixtrans-60.3-39.9174.1-114.2-88.5000112.4M1 I8 I9M1-F5 PolarHBondContact O-N 3.47Å; M1-F5 VanDerWaalsContact O-N 3.11Å; F5-I8 PolarHBondContact O-N 3.38Å; F5-I9 HydrophobicContact CD1-CD1 4.38Å; F5-I9 VanDerWaalsContact O-CG1 3.28Å; F5-I9 WeakPolarHBondContact O-CG1 3.27Å; F5-I9 PolarHBondContact O-N 3.49Å
6Y79Confident76.5Confident180 Ų180123.4 Ų123.471%0.70659%0.593SS**Hα-helixtrans-66.5-38.6178.4-122.3-88.9000112.6L2 T3 E4 I9 L10L2-Y6 PolarHBondContact O-N 2.94Å; T3-Y6 PolarHBondContact O-N 2.89Å; E4-Y6 VanDerWaalsContact C-N 3.3Å; E4-Y6 PolarHBondContact O-N 3.27Å; Y6-I9 PolarHBondContact O-N 3.37Å; Y6-L10 WeakPolarHBondContact O-CB 3.34Å; Y6-L10 PolarHBondContact O-N 2.85Å
7W81.8Confident75.4Confident171 Ų171125.8 Ų125.865%0.64860%0.597SS**Hα-helixtrans-69.2-37.8176.8-9194.5000112.7T3 E4 L10 L11T3-W7 PolarHBondContact O-N 3.43Å; E4-W7 PolarHBondContact O-N 3.29Å; W7-L10 PolarHBondContact O-N 2.8Å; W7-L11 HydrophobicContact CE3-CD1 4.48Å; W7-L11 WeakPolarHBondContact O-CB 3.43Å; W7-L11 WeakPolarHBondContact O-CG 2.99Å; W7-L11 PolarHBondContact O-N 2.97Å
8I84.6Confident73.9Confident103 Ų103120.8 Ų120.853%0.52858%0.584SS.*Hα-helixtrans-64.1-45.3174.9-66.6165.4000110.1E4 F5 L11 T12E4-I8 VanDerWaalsContact O-CG1 3.32Å; E4-I8 WeakPolarHBondContact O-CG1 3.48Å; E4-I8 PolarHBondContact O-N 3.37Å; F5-I8 PolarHBondContact O-N 3.38Å; I8-L11 PolarHBondContact O-N 3.42Å; I8-T12 PolarHBondContact O-N 3.45Å; I8-T12 PolarHBondContact O-OG1 3.44Å
9I86Confident72.5Confident83 Ų83120.6 Ų120.643%0.42658%0.58SS.*Hα-helixtrans-62.5-45.9177.7-67.3166.2000110.7F5 Y6 L11 T12 I13F5-I9 HydrophobicContact CD1-CD1 4.38Å; F5-I9 VanDerWaalsContact O-CG1 3.28Å; F5-I9 WeakPolarHBondContact O-CG1 3.27Å; F5-I9 PolarHBondContact O-N 3.49Å; Y6-I9 PolarHBondContact O-N 3.37Å; I9-L11 PolarHBondContact O-N 3.3Å; I9-T12 VanDerWaalsContact CA-OG1 3.27Å; I9-T12 WeakPolarHBondContact CA-OG1 3.42Å; I9-T12 PolarHBondContact O-N 3.35Å; I9-T12 PolarHBondContact O-OG1 3.32Å; I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.05Å
10L84.8Confident71.1Confident86 Ų86119.9 Ų119.945%0.4558%0.579SS.*Hα-helixtrans-62.1-43.6178.6-167.679.8000111.7Y6 W7 I13 I14Y6-L10 WeakPolarHBondContact O-CB 3.34Å; Y6-L10 PolarHBondContact O-N 2.85Å; W7-L10 PolarHBondContact O-N 2.8Å; L10-I13 PolarHBondContact O-N 2.86Å; L10-I14 HydrophobicContact CD2-CD1 4.35Å; L10-I14 HydrophobicContact CG-CD1 4.07Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.42Å; L10-I14 PolarHBondContact O-N 3.45Å
11L83.3Confident69.5Low102 Ų102123.2 Ų123.253%0.53459%0.591SS.*Hα-helixtrans-64.5-40.3176.2-82162.2000111.7W7 I8 I9 I14 Y15W7-L11 HydrophobicContact CE3-CD1 4.48Å; W7-L11 WeakPolarHBondContact O-CB 3.43Å; W7-L11 WeakPolarHBondContact O-CG 2.99Å; W7-L11 PolarHBondContact O-N 2.97Å; I8-L11 PolarHBondContact O-N 3.42Å; I9-L11 PolarHBondContact O-N 3.3Å; L11-I14 PolarHBondContact O-N 3.47Å; L11-Y15 WeakPolarHBondContact O-CB 3.31Å; L11-Y15 PolarHBondContact O-N 3.3Å
12T81.8Confident68.8Low71 Ų71123.6 Ų123.644%0.43658%0.583SS.*Hα-helixtrans-64.8-38.2173.844.20000112.4I8 I9 Y15 I16I8-T12 PolarHBondContact O-N 3.45Å; I8-T12 PolarHBondContact O-OG1 3.44Å; I9-T12 VanDerWaalsContact CA-OG1 3.27Å; I9-T12 WeakPolarHBondContact CA-OG1 3.42Å; I9-T12 PolarHBondContact O-N 3.35Å; I9-T12 PolarHBondContact O-OG1 3.32Å; T12-Y15 PolarHBondContact O-N 3.25Å; T12-I16 WeakPolarHBondContact O-CB 3.45Å; T12-I16 WeakPolarHBondContact O-CD1 3.33Å; T12-I16 WeakPolarHBondContact O-CG1 3.46Å; T12-I16 PolarHBondContact O-N 2.96Å
13I80.9Confident67.6Low79 Ų79120.6 Ų120.641%0.40557%0.567SS.*Hα-helixtrans-66-44.6175.5-68.8169.4000110I9 L10 Y15 I16 Y17I9-I13 HydrophobicContact CG2-CD1 3.76Å; I9-I13 HydrophobicContact CG2-CG1 4.4Å; I9-I13 VanDerWaalsContact O-CG1 3.27Å; I9-I13 WeakPolarHBondContact O-CG1 3.41Å; I9-I13 PolarHBondContact O-N 3.05Å; L10-I13 PolarHBondContact O-N 2.86Å; I13-Y15 VanDerWaalsContact C-N 3.28Å; I13-Y15 PolarHBondContact O-N 3.16Å; I13-I16 PolarHBondContact O-N 2.96Å; I13-Y17 HydrophobicContact CG2-CD2 3.61Å; I13-Y17 HydrophobicContact CG2-CE2 3.84Å; I13-Y17 WeakPolarHBondContact O-CB 3.27Å; I13-Y17 WeakPolarHBondContact O-CD2 3.35Å; I13-Y17 PolarHBondContact O-N 3.47Å
14I78.1Confident65.8Low101 Ų101119.8 Ų119.852%0.51857%0.566SS.*Hα-helixtrans-62.9-36.6175.4-67.2166000110.9L10 L11 G18L10-I14 HydrophobicContact CD2-CD1 4.35Å; L10-I14 HydrophobicContact CG-CD1 4.07Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.42Å; L10-I14 PolarHBondContact O-N 3.45Å; L11-I14 PolarHBondContact O-N 3.47Å; I14-G18 VanDerWaalsContact O-CA 3.31Å; I14-G18 WeakPolarHBondContact O-CA 3.31Å; I14-G18 PolarHBondContact O-N 3.29Å
15Y70.7Confident64.1Low158 Ų158118.3 Ų118.362%0.6256%0.561SS**Hα-helixtrans-70-40.2177.2-149.1-95.5000111.7L11 T12 I13 F19L11-Y15 WeakPolarHBondContact O-CB 3.31Å; L11-Y15 PolarHBondContact O-N 3.3Å; T12-Y15 PolarHBondContact O-N 3.25Å; I13-Y15 VanDerWaalsContact C-N 3.28Å; I13-Y15 PolarHBondContact O-N 3.16Å; Y15-F19 AromaticContact CD1-CD2 3.72Å; Y15-F19 HydrophobicContact CD1-CD2 3.72Å; Y15-F19 AromaticContact CD1-CE2 3.87Å; Y15-F19 HydrophobicContact CD1-CE2 3.87Å; Y15-F19 AromaticContact CE1-CD2 3.57Å; Y15-F19 HydrophobicContact CE1-CD2 3.57Å; Y15-F19 AromaticContact CE1-CE2 3.22Å; Y15-F19 HydrophobicContact CE1-CE2 3.22Å; Y15-F19 HydrophobicContact CE1-CZ 4.06Å; Y15-F19 HydrophobicContact CE2-CE2 4.07Å; Y15-F19 HydrophobicContact CG-CD2 4.35Å; Y15-F19 AromaticContact CZ-CE2 3.35Å; Y15-F19 WeakPolarHBondContact O-CB 3.47Å; Y15-F19 WeakPolarHBondContact O-CD2 3.3Å; Y15-F19 PolarHBondContact O-N 3.37Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.29Å
16I67Low62.1Low109 Ų109116 Ų11656%0.55956%0.559SS**Hα-helixtrans-66.5-49.2176.5-68.4164000110.5T12 I13 G18 F19 D20T12-I16 WeakPolarHBondContact O-CB 3.45Å; T12-I16 WeakPolarHBondContact O-CD1 3.33Å; T12-I16 WeakPolarHBondContact O-CG1 3.46Å; T12-I16 PolarHBondContact O-N 2.96Å; I13-I16 PolarHBondContact O-N 2.96Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 2.9Å; I16-F19 PolarHBondContact O-N 2.81Å; I16-D20 PolarHBondContact O-N 3.27Å
17Y57.1Low60.4Low165 Ų165111.8 Ų111.865%0.64755%0.548SS*.Hα-helixtrans-72.5-25.2177.8-81.5-78.7000113.5I13I13-Y17 HydrophobicContact CG2-CD2 3.61Å; I13-Y17 HydrophobicContact CG2-CE2 3.84Å; I13-Y17 WeakPolarHBondContact O-CB 3.27Å; I13-Y17 WeakPolarHBondContact O-CD2 3.35Å; I13-Y17 PolarHBondContact O-N 3.47Å
18G50Low59Low35 Ų35105 Ų10536%0.36153%0.531SS..Hα-helixtrans-74.8-31174.800000112.7I14 I16I14-G18 VanDerWaalsContact O-CA 3.31Å; I14-G18 WeakPolarHBondContact O-CA 3.31Å; I14-G18 PolarHBondContact O-N 3.29Å; I16-G18 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 2.9Å
19F46.4Very low58.2Low118 Ų118100.2 Ų100.252%0.51851%0.507SS..Hα-helixtrans-80-31.2176.2-98.2-94.8000113.4Y15 I16 K21 Y22Y15-F19 AromaticContact CD1-CD2 3.72Å; Y15-F19 HydrophobicContact CD1-CD2 3.72Å; Y15-F19 AromaticContact CD1-CE2 3.87Å; Y15-F19 HydrophobicContact CD1-CE2 3.87Å; Y15-F19 AromaticContact CE1-CD2 3.57Å; Y15-F19 HydrophobicContact CE1-CD2 3.57Å; Y15-F19 AromaticContact CE1-CE2 3.22Å; Y15-F19 HydrophobicContact CE1-CE2 3.22Å; Y15-F19 HydrophobicContact CE1-CZ 4.06Å; Y15-F19 HydrophobicContact CE2-CE2 4.07Å; Y15-F19 HydrophobicContact CG-CD2 4.35Å; Y15-F19 AromaticContact CZ-CE2 3.35Å; Y15-F19 WeakPolarHBondContact O-CB 3.47Å; Y15-F19 WeakPolarHBondContact O-CD2 3.3Å; Y15-F19 PolarHBondContact O-N 3.37Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.29Å; I16-F19 PolarHBondContact O-N 2.81Å; F19-K21 PolarHBondContact O-N 2.74Å; F19-Y22 PolarHBondContact O-N 3.11Å
20D44.5Very low58.3Low105 Ų10596.4 Ų96.456%0.56149%0.487SS*.Hα-helixtrans-61.3-27.8173.5-96.2-15.5000112.7I16 Y22I16-D20 PolarHBondContact O-N 3.27Å; D20-Y22 VanDerWaalsContact C-N 3.34Å
21K37.6Very low58.6Low190 Ų19092.6 Ų92.683%0.82647%0.468SS*.THydrogen-bonded Turntrans-78.3-11.8175-81.5-162.7174.9-171.20115F19F19-K21 PolarHBondContact O-N 2.74Å
22Y37.6Very low58.9Low202 Ų20288.2 Ų88.279%0.79244%0.444SS*.THydrogen-bonded Turntrans-103.95.5177.2-86.4-79.9000113.7F19 D20 S24F19-Y22 PolarHBondContact O-N 3.11Å; D20-Y22 VanDerWaalsContact C-N 3.34Å; Y22-S24 PolarHBondContact O-N 3.45Å
23I39.5Very low59.3Low93 Ų9386 Ų8648%0.47743%0.43SS..  trans-77.582.6167.8-48179.4000107.4L25I23-L25 HydrophobicContact CG2-CD1 4.38Å; I23-L25 HydrophobicContact CG2-CG 3.87Å; I23-L25 PolarHBondContact O-N 2.88Å
24S34.7Very low59.5Low89 Ų8987.3 Ų87.362%0.62243%0.433SS*.  trans-64.181.7157.9-169.30000106.8Y22 V26Y22-S24 PolarHBondContact O-N 3.45Å; S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.35Å
25L42.4Very low59.8Low103 Ų10383.2 Ų83.254%0.53941%0.413SS..  trans-58.6101.9162.9-86.7152.3000105.2I23 N27I23-L25 HydrophobicContact CG2-CD1 4.38Å; I23-L25 HydrophobicContact CG2-CG 3.87Å; I23-L25 PolarHBondContact O-N 2.88Å; L25-N27 PolarHBondContact O-N 3Å
26V37.4Very low60.7Low92 Ų9276.8 Ų76.856%0.55839%0.39SS*.  trans-6682.4172.5-1760000107.2S24S24-V26 VanDerWaalsContact C-N 3.29Å; S24-V26 PolarHBondContact O-N 3.35Å
27N43Very low61.8Low92 Ų9273.1 Ų73.149%0.49237%0.372SS..  trans-90.586.3157-85.1-3.7000106.6L25L25-N27 PolarHBondContact O-N 3Å
28G52.4Low63.4Low28 Ų2867 Ų6729%0.28935%0.35SS..  trans-155.9132.9162.500000107
29F66.7Low65.5Low3 Ų365.6 Ų65.61%0.01333%0.334CS..SBendtrans-134.9121.2160.7-177.6-109.1000110.7I31 N411 H435 Q447 V500 V735 D737F29-I31 PolarHBondContact O-N 3.37Å; F29-N411 HydrophobicContact CE1-CB 3.59Å; F29-N411 HydrophobicContact CZ-CB 4.25Å; F29-H435 AromaticContact CD1-NE2 3.6Å; F29-H435 AromaticContact CE1-NE2 3.84Å; F29-Q447 VanDerWaalsContact C-OE1 3.26Å; F29-Q447 PolarHBondContact O-OE1 3.43Å; F29-V500 HydrophobicContact CE1-CG2 4.33Å; F29-V500 HydrophobicContact CE2-CG1 4.13Å; F29-V500 HydrophobicContact CE2-CG2 4.22Å; F29-V500 HydrophobicContact CZ-CB 4.31Å; F29-V500 HydrophobicContact CZ-CG1 3.66Å; F29-V500 HydrophobicContact CZ-CG2 3.57Å; F29-V735 HydrophobicContact CD2-CG2 4.15Å; F29-V735 HydrophobicContact CE2-CG2 3.78Å; F29-D737 HydrophobicContact CD2-CB 4.33Å; F29-D737 HydrophobicContact CE1-CB 4.49Å; F29-D737 HydrophobicContact CE2-CB 3.78Å; F29-D737 VanDerWaalsContact CE2-N 3.35Å; F29-D737 HydrophobicContact CZ-CB 3.84Å
30N88.5Confident67.7Low3 Ų363.5 Ų63.52%0.01633%0.331CS..SBendtrans54.9-32.1-177.8103.8-53.6000118.1D32 I410 A497 R498 V500 V735N30-D32 PolarHBondContact O-N 2.9Å; N30-I410 PolarHBondContact ND2-O 2.73Å; N30-A497 CarbonylContact O-C 3.56Å; N30-A497 WeakPolarHBondContact O-CA 3.42Å; N30-R498 WeakPolarHBondContact O-CB 3.5Å; N30-R498 PolarHBondContact O-N 3.47Å; N30-V500 HydrophobicContact CB-CG2 3.99Å; N30-V735 HydrophobicContact CB-CG2 3.84Å
31I91.7Very high70Confident7 Ų759 Ų594%0.03631%0.31CS..BIsolated β-bridgetrans-76.7122.5171.1-55.5-163.1000111.3F29 L33 I410 I433 Q447 I449 M482 L495F29-I31 PolarHBondContact O-N 3.37Å; I31-L33 HydrophobicContact CG2-CD2 4.44Å; I31-I410 HydrophobicContact CD1-CD1 3.43Å; I31-I410 VanDerWaalsContact CD1-CD1 3.43Å; I31-I410 HydrophobicContact CG1-CD1 3.59Å; I31-I433 HydrophobicContact CD1-CD1 3.38Å; I31-I433 HydrophobicContact CD1-CG1 4.43Å; I31-I433 HydrophobicContact CG1-CD1 4.02Å; I31-Q447 PolarHBondContact O-NE2 3.19Å; I31-I449 HydrophobicContact CG2-CD1 4.3Å; I31-M482 HydrophobicContact CD1-CB 4.05Å; I31-M482 HydrophobicContact CD1-SD 4.19Å; I31-L495 HydrophobicContact CG2-CB 3.47Å; I31-L495 VanDerWaalsContact CG2-CB 3.47Å; I31-L495 HydrophobicContact CG2-CD1 3.98Å; I31-L495 HydrophobicContact CG2-CG 4.36Å
32D89.7Confident72.6Confident9 Ų953 Ų535%0.04829%0.29CS..  trans-76.6122.4177.8-17548.7000112.7N30 K34 S35 R496 R498 I730N30-D32 PolarHBondContact O-N 2.9Å; D32-K34 PolarHBondContact OD1-N 2.96Å; D32-S35 WeakPolarHBondContact OD2-CA 3.46Å; D32-S35 WeakPolarHBondContact OD2-CB 3.37Å; D32-S35 PolarHBondContact OD2-N 2.98Å; D32-S35 PolarHBondContact OD2-OG 3.34Å; D32-S35 VanDerWaalsContact OD2-OG 3.06Å; D32-R496 PolarHBondContact N-O 3.17Å; D32-R498 HydrophobicContact CB-CG 4.21Å; D32-I730 HydrophobicContact CB-CD1 3.81Å
33L88.9Confident75.2Confident24 Ų2449.8 Ų49.813%0.12629%0.287CS..SBendtrans-100.3-10.6176.5-56.4-173.3000113.2I31 I449 L495I31-L33 HydrophobicContact CG2-CD2 4.44Å; L33-I449 HydrophobicContact CD1-CG1 4.48Å; L33-I449 HydrophobicContact CD1-CG2 4.45Å; L33-I449 HydrophobicContact CD2-CB 4.4Å; L33-I449 HydrophobicContact CD2-CD1 3.88Å; L33-I449 HydrophobicContact CD2-CG1 3.93Å; L33-I449 HydrophobicContact CD2-CG2 3.72Å; L33-L495 HydrophobicContact CD2-CD1 3.8Å
34K85Confident77.6Confident107 Ų10748.2 Ų48.247%0.46529%0.294SS..SBendtrans-84.6-28.4-175.3-62.9-59.9-173.1-1740112.5D32 P36D32-K34 PolarHBondContact OD1-N 2.96Å; K34-P36 VanDerWaalsContact O-CD 3.32Å; K34-P36 WeakPolarHBondContact O-CD 3.41Å
35S85.6Confident80.5Confident16 Ų1644.1 Ų44.111%0.11227%0.265CS..SBendtrans-120.456-179-38.60000112.2D32D32-S35 WeakPolarHBondContact OD2-CA 3.46Å; D32-S35 WeakPolarHBondContact OD2-CB 3.37Å; D32-S35 PolarHBondContact OD2-N 2.98Å; D32-S35 PolarHBondContact OD2-OG 3.34Å; D32-S35 VanDerWaalsContact OD2-OG 3.06Å
36P88.6Confident83Confident22 Ų2239.8 Ų39.814%0.14324%0.243CC..  trans-68.1135179.830.7-35.2000111K34 L38 L454 L495K34-P36 VanDerWaalsContact O-CD 3.32Å; K34-P36 WeakPolarHBondContact O-CD 3.41Å; P36-L38 HydrophobicContact CB-CD2 4.24Å; P36-L38 HydrophobicContact CB-CG 4.43Å; P36-L38 HydrophobicContact CG-CG 4.49Å; P36-L38 PolarHBondContact O-N 2.9Å; P36-L454 HydrophobicContact CB-CD2 4.01Å; P36-L454 HydrophobicContact CB-CG 4.39Å; P36-L454 HydrophobicContact CG-CB 4.48Å; P36-L454 HydrophobicContact CG-CG 4.49Å; P36-L495 HydrophobicContact CB-CD2 3.57Å
37L90Very high85.9Confident33 Ų3335.4 Ų35.417%0.17322%0.217CC..EExtended strand (participates in β ladder)trans-89.392.2173.2-61.8176.9000109.2L81 V494 A727L37-L81 HydrophobicContact CD1-CD1 3.54Å; L37-L81 HydrophobicContact CD1-CG 3.9Å; L37-V494 HydrophobicContact CB-CB 4.13Å; L37-V494 PolarHBondContact N-O 2.97Å; L37-V494 PolarHBondContact O-N 2.61Å; L37-A727 HydrophobicContact CD2-CB 4.14Å
38L92.1Very high88.4Confident37 Ų3731 Ų3119%0.19419%0.194CC..EExtended strand (participates in β ladder)trans-80.9134.7-177.6-60.8178.5000112.3P36 Q455 S456 V492 A493P36-L38 HydrophobicContact CB-CD2 4.24Å; P36-L38 HydrophobicContact CB-CG 4.43Å; P36-L38 HydrophobicContact CG-CG 4.49Å; P36-L38 PolarHBondContact O-N 2.9Å; L38-Q455 VanDerWaalsContact CD1-O 3.32Å; L38-Q455 WeakPolarHBondContact CD1-O 3.47Å; L38-S456 VanDerWaalsContact CD1-CA 3.46Å; L38-V492 WeakPolarHBondContact CA-O 3.27Å; L38-A493 HydrophobicContact CD2-CB 3.67Å
39K93.3Very high90.6Very high4 Ų430.9 Ų30.92%0.01719%0.185CC..EExtended strand (participates in β ladder)trans-119.2129.3172.8-45.9-66.4173.1170.20108.6F47 I65 C79 P80 L81 R83 S491 V492K39-F47 HydrophobicContact CB-CE1 4.17Å; K39-F47 HydrophobicContact CB-CZ 4.38Å; K39-I65 HydrophobicContact CB-CD1 4.42Å; K39-C79 HydrophobicContact CD-CB 4.21Å; K39-C79 HydrophobicContact CG-CB 4.38Å; K39-P80 PolarHBondContact NZ-O 2.99Å; K39-L81 PolarHBondContact NZ-O 3.39Å; K39-R83 PolarHBondContact NZ-O 3.35Å; K39-S491 CarbonylContact O-C 3.57Å; K39-S491 WeakPolarHBondContact O-CA 3.24Å; K39-V492 HydrophobicContact CB-CB 4.33Å; K39-V492 PolarHBondContact N-O 2.9Å; K39-V492 PolarHBondContact O-N 3.25Å
40T92.2Very high92Very high74 Ų7431.3 Ų31.345%0.45419%0.188SC..EExtended strand (participates in β ladder)trans-120.4126.2-178.351.80000110.5
41G92.2Very high92.3Very high12 Ų1232.1 Ų32.112%0.12419%0.192CC..  trans-94.4-179.8172.100000113S490G41-S490 PolarHBondContact N-O 3.43Å
42P93.3Very high92.4Very high63 Ų6332.2 Ų32.241%0.40919%0.193SC..  trans-58.3144.2174.7-20.431.7000112.1G44 S45 F77 S490P42-G44 PolarHBondContact O-N 2.93Å; P42-S45 VanDerWaalsContact O-CB 3.3Å; P42-S45 WeakPolarHBondContact O-CB 3.4Å; P42-S45 PolarHBondContact O-N 2.93Å; P42-S45 PolarHBondContact O-OG 3.38Å; P42-F77 HydrophobicContact CG-CZ 4.3Å; P42-S490 WeakPolarHBondContact O-CB 3.2Å; P42-S490 PolarHBondContact O-OG 3.16Å
43D91.8Very high92.5Very high135 Ų13531.9 Ų31.972%0.72219%0.192SC*.THydrogen-bonded Turntrans-64.3137.4-179.5-65.9-26.6000111.7S45 R458D43-S45 PolarHBondContact O-N 3.5Å; D43-R458 IonicContact OD1-CZ 2.8Å; D43-R458 IonicContact OD1-NH1 3.23Å; D43-R458 PolarHBondContact OD1-NH1 3.36Å
44G90.6Very high92.6Very high60 Ų6030.9 Ų30.962%0.61919%0.186SC*.THydrogen-bonded Turntrans733.6-179.100000115.3P42 S46 T69P42-G44 PolarHBondContact O-N 2.93Å; G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 2.89Å; G44-T69 PolarHBondContact O-OG1 2.98Å
45S94.7Very high92.9Very high3 Ų327 Ų272%0.02117%0.171CC..SBendtrans-80.4-7.3-179.167.30000114.4P42 D43 F47 S67 T69 E70 S490P42-S45 VanDerWaalsContact O-CB 3.3Å; P42-S45 WeakPolarHBondContact O-CB 3.4Å; P42-S45 PolarHBondContact O-N 2.93Å; P42-S45 PolarHBondContact O-OG 3.38Å; D43-S45 PolarHBondContact O-N 3.5Å; S45-F47 PolarHBondContact O-N 2.8Å; S45-F47 WeakPolarHBondContact OG-CB 3.41Å; S45-F47 PolarHBondContact OG-N 3.08Å; S45-S67 VanDerWaalsContact CB-OG 3.26Å; S45-S67 WeakPolarHBondContact CB-OG 3.2Å; S45-S67 CarbonylContact O-C 3.58Å; S45-S67 PolarHBondContact O-OG 3Å; S45-S67 PolarHBondContact OG-OG 2.88Å; S45-S67 VanDerWaalsContact OG-OG 3.1Å; S45-T69 WeakPolarHBondContact CA-OG1 2.88Å; S45-T69 CarbonylContact O-C 3.56Å; S45-T69 PolarHBondContact O-N 3.25Å; S45-T69 PolarHBondContact O-OG1 2.61Å; S45-E70 PolarHBondContact O-N 2.84Å; S45-S490 PolarHBondContact N-OG 2.99Å
46S95.6Very high93.1Very high12 Ų1227.6 Ų27.68%0.08417%0.172CC..  trans57.930.3-170.7-53.30000112.6G44 G48 F49 T69 A487 S490G44-S46 VanDerWaalsContact C-N 3.28Å; G44-S46 PolarHBondContact O-N 2.89Å; S46-G48 PolarHBondContact O-N 3.31Å; S46-F49 WeakPolarHBondContact O-CB 3.48Å; S46-F49 PolarHBondContact O-N 3Å; S46-F49 VanDerWaalsContact O-N 3.08Å; S46-T69 WeakPolarHBondContact CB-OG1 3.29Å; S46-T69 PolarHBondContact N-OG1 3.23Å; S46-T69 PolarHBondContact OG-OG1 3.22Å; S46-A487 WeakPolarHBondContact CA-O 3.17Å; S46-S490 PolarHBondContact N-OG 3.06Å
47F97.2Very high93Very high0 Ų032 Ų320%019%0.189CC..THydrogen-bonded Turntrans-55.9128.7176.3179.8-86.7000110.8K39 S45 I65 S67 F77 S490 S491 V492K39-F47 HydrophobicContact CB-CE1 4.17Å; K39-F47 HydrophobicContact CB-CZ 4.38Å; S45-F47 PolarHBondContact O-N 2.8Å; S45-F47 WeakPolarHBondContact OG-CB 3.41Å; S45-F47 PolarHBondContact OG-N 3.08Å; F47-I65 HydrophobicContact CD1-CG2 3.97Å; F47-I65 HydrophobicContact CD2-CG2 3.85Å; F47-I65 HydrophobicContact CE1-CD1 3.62Å; F47-I65 HydrophobicContact CE1-CG2 3.9Å; F47-I65 HydrophobicContact CE2-CB 4.09Å; F47-I65 HydrophobicContact CE2-CD1 4.22Å; F47-I65 HydrophobicContact CE2-CG2 3.78Å; F47-I65 HydrophobicContact CG-CG2 3.97Å; F47-I65 HydrophobicContact CZ-CB 4.09Å; F47-I65 HydrophobicContact CZ-CD1 3.37Å; F47-I65 HydrophobicContact CZ-CG1 4.31Å; F47-I65 HydrophobicContact CZ-CG2 3.82Å; F47-S67 VanDerWaalsContact CA-OG 3.31Å; F47-S67 WeakPolarHBondContact CA-OG 3.48Å; F47-S67 PolarHBondContact N-OG 2.78Å; F47-F77 HydrophobicContact CD2-CB 4.45Å; F47-F77 AromaticContact CD2-CD2 3.74Å; F47-F77 HydrophobicContact CD2-CD2 3.74Å; F47-F77 HydrophobicContact CD2-CE2 4.13Å; F47-F77 HydrophobicContact CD2-CG 4.03Å; F47-F77 HydrophobicContact CE2-CB 3.7Å; F47-F77 HydrophobicContact CE2-CD1 4.15Å; F47-F77 AromaticContact CE2-CD2 3.83Å; F47-F77 HydrophobicContact CE2-CD2 3.83Å; F47-F77 AromaticContact CE2-CG 3.62Å; F47-F77 HydrophobicContact CE2-CG 3.62Å; F47-S490 CarbonylContact O-C 3.54Å; F47-S490 VanDerWaalsContact O-C 3.29Å; F47-S490 VanDerWaalsContact O-CA 3.28Å; F47-S490 WeakPolarHBondContact O-CA 3.07Å; F47-S491 PolarHBondContact O-N 3.4Å; F47-V492 HydrophobicContact CD1-CG2 4.03Å; F47-V492 HydrophobicContact CE1-CB 4.34Å; F47-V492 HydrophobicContact CE1-CG2 3.85Å
48G96.4Very high92.8Very high0 Ų033.8 Ų33.80%021%0.205CC..THydrogen-bonded Turntrans93.515.4-171.600000113.6S46 G66 S466 V492S46-G48 PolarHBondContact O-N 3.31Å; G48-G66 PolarHBondContact N-O 2.96Å; G48-G66 VanDerWaalsContact N-O 3.15Å; G48-S466 PolarHBondContact O-OG 3.28Å; G48-V492 VanDerWaalsContact CA-CG2 3.42Å
49F97.5Very high92.6Very high25 Ų2534.4 Ų34.411%0.1122%0.22CC..SBendtrans-67.1-39.1175.7-169.9-85.1000112.4S46 G66 P68 Y110 F465 S466S46-F49 WeakPolarHBondContact O-CB 3.48Å; S46-F49 PolarHBondContact O-N 3Å; S46-F49 VanDerWaalsContact O-N 3.08Å; F49-G66 PolarHBondContact N-O 3.39Å; F49-P68 HydrophobicContact CB-CG 3.68Å; F49-P68 HydrophobicContact CD1-CG 3.88Å; F49-P68 HydrophobicContact CD2-CG 3.78Å; F49-P68 HydrophobicContact CE1-CG 4.5Å; F49-P68 HydrophobicContact CE2-CG 4.39Å; F49-P68 HydrophobicContact CG-CG 3.5Å; F49-P68 VanDerWaalsContact CG-CG 3.5Å; F49-Y110 HydrophobicContact CD1-CD2 4.28Å; F49-Y110 HydrophobicContact CD1-CG 4.48Å; F49-Y110 WeakPolarHBondContact CD1-O 3.29Å; F49-Y110 HydrophobicContact CE1-CD1 4.1Å; F49-Y110 AromaticContact CE1-CD2 3.42Å; F49-Y110 HydrophobicContact CE1-CD2 3.42Å; F49-Y110 VanDerWaalsContact CE1-CD2 3.42Å; F49-Y110 HydrophobicContact CE1-CE1 4.13Å; F49-Y110 AromaticContact CE1-CE2 3.48Å; F49-Y110 HydrophobicContact CE1-CE2 3.48Å; F49-Y110 VanDerWaalsContact CE1-CE2 3.48Å; F49-Y110 AromaticContact CE1-CG 3.75Å; F49-Y110 HydrophobicContact CE1-CG 3.75Å; F49-Y110 AromaticContact CE1-CZ 3.84Å; F49-Y110 WeakPolarHBondContact CE1-O 3.29Å; F49-Y110 HydrophobicContact CE2-CE2 4.35Å; F49-Y110 AromaticContact CZ-CD2 3.65Å; F49-Y110 HydrophobicContact CZ-CD2 3.65Å; F49-Y110 HydrophobicContact CZ-CE1 4.49Å; F49-Y110 AromaticContact CZ-CE2 3.28Å; F49-Y110 HydrophobicContact CZ-CE2 3.28Å; F49-Y110 HydrophobicContact CZ-CG 4.4Å; F49-Y110 AromaticContact CZ-CZ 3.75Å; F49-F465 HydrophobicContact CD1-CE1 4.3Å; F49-F465 HydrophobicContact CD2-CD1 4.35Å; F49-F465 AromaticContact CD2-CE1 3.44Å; F49-F465 HydrophobicContact CD2-CE1 3.44Å; F49-F465 VanDerWaalsContact CD2-CE1 3.44Å; F49-F465 AromaticContact CD2-CZ 3.89Å; F49-F465 HydrophobicContact CD2-CZ 3.89Å; F49-F465 HydrophobicContact CE1-CE1 4.23Å; F49-F465 AromaticContact CE2-CE1 3.37Å; F49-F465 HydrophobicContact CE2-CE1 3.37Å; F49-F465 AromaticContact CE2-CZ 3.38Å; F49-F465 HydrophobicContact CE2-CZ 3.38Å; F49-F465 AromaticContact CG-CE1 3.91Å; F49-F465 HydrophobicContact CG-CE1 3.91Å; F49-F465 AromaticContact CZ-CE1 3.77Å; F49-F465 HydrophobicContact CZ-CE1 3.77Å; F49-F465 AromaticContact CZ-CZ 3.82Å; F49-F465 HydrophobicContact CZ-CZ 3.82Å; F49-S466 VanDerWaalsContact O-CB 3.24Å; F49-S466 WeakPolarHBondContact O-CB 3.28Å
50S97Very high92.4Very high12 Ų1237.2 Ų37.28%0.08423%0.233CC..EExtended strand (participates in β ladder)trans-134.8144.8174.1650000109.6G66 G109 Y110 M112S50-G66 PolarHBondContact O-N 3.08Å; S50-G66 WeakPolarHBondContact OG-CA 3.39Å; S50-G109 PolarHBondContact OG-O 3.5Å; S50-Y110 WeakPolarHBondContact CB-O 3.09Å; S50-M112 VanDerWaalsContact C-CE 3.43Å; S50-M112 WeakPolarHBondContact O-CE 3.26Å; S50-M112 VanDerWaalsContact OG-CE 3.26Å; S50-M112 WeakPolarHBondContact OG-CE 3.47Å
51L95.8Very high92.3Very high19 Ų1935.6 Ų35.610%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-134138.3-172-62177.4000110.9V63 I65 S466 A483 V492L51-V63 HydrophobicContact CD2-CG1 4.31Å; L51-I65 HydrophobicContact CD2-CB 4.44Å; L51-I65 HydrophobicContact CD2-CD1 4.46Å; L51-I65 HydrophobicContact CD2-CG1 3.87Å; L51-I65 HydrophobicContact CD2-CG2 4.17Å; L51-S466 WeakPolarHBondContact CD1-OG 3.47Å; L51-S466 WeakPolarHBondContact CG-OG 3.38Å; L51-A483 HydrophobicContact CD1-CB 4.12Å; L51-V492 HydrophobicContact CD1-CG1 4.24Å; L51-V492 HydrophobicContact CD2-CB 4.47Å; L51-V492 HydrophobicContact CD2-CG1 3.87Å; L51-V492 HydrophobicContact CD2-CG2 3.7Å
52M92.8Very high92.3Very high10 Ų1035 Ų355%0.04921%0.214CC..EExtended strand (participates in β ladder)trans-146.9126174.5-173.3174.368.800109.9Y54 V63 V64 M112 I123M52-Y54 HydrophobicContact CE-CD2 4.43Å; M52-V63 WeakPolarHBondContact O-CA 3.43Å; M52-V64 HydrophobicContact CE-CB 4.39Å; M52-V64 PolarHBondContact N-O 3.29Å; M52-V64 PolarHBondContact O-N 2.91Å; M52-M112 HydrophobicContact CB-CE 4.01Å; M52-M112 HydrophobicContact SD-CB 4.44Å; M52-I123 HydrophobicContact CE-CB 3.74Å; M52-I123 HydrophobicContact CE-CD1 3.9Å; M52-I123 HydrophobicContact CE-CG1 4.44Å; M52-I123 HydrophobicContact CE-CG2 3.39Å
53G91.6Very high92.4Very high2 Ų232.1 Ų32.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-65.4141.2168.600000109.2S119G53-S119 WeakPolarHBondContact O-CB 3.14Å; G53-S119 PolarHBondContact O-OG 3.15Å
54Y91.5Very high92.5Very high2 Ų225.7 Ų25.71%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-146.8137.7-175-173.5-104.8000111.9M52 H56 G62 V64 W78 S119 G121 I123 E149 L151M52-Y54 HydrophobicContact CE-CD2 4.43Å; Y54-H56 HydrophobicContact CD1-CB 4.42Å; Y54-H56 HydrophobicContact CE1-CB 4.25Å; Y54-G62 PolarHBondContact N-O 3.04Å; Y54-G62 PolarHBondContact O-N 3.03Å; Y54-V64 HydrophobicContact CD1-CG2 4.14Å; Y54-V64 HydrophobicContact CG-CG2 3.91Å; Y54-W78 HydrophobicContact CD1-CE3 4.27Å; Y54-W78 HydrophobicContact CD1-CH2 4.12Å; Y54-W78 AromaticContact CD1-CZ3 3.79Å; Y54-W78 HydrophobicContact CD1-CZ3 3.79Å; Y54-W78 HydrophobicContact CG-CZ3 4.32Å; Y54-W78 WeakPolarHBondContact O-CH2 3.41Å; Y54-S119 WeakPolarHBondContact CD2-O 3.46Å; Y54-S119 VanDerWaalsContact CE2-O 3.29Å; Y54-S119 WeakPolarHBondContact CE2-O 3.33Å; Y54-G121 WeakPolarHBondContact CE2-O 3.3Å; Y54-G121 PolarHBondContact OH-O 3.15Å; Y54-I123 HydrophobicContact CD2-CG2 3.74Å; Y54-I123 HydrophobicContact CE2-CG2 3.41Å; Y54-I123 VanDerWaalsContact CE2-CG2 3.41Å; Y54-E149 VanDerWaalsContact OH-CA 3.27Å; Y54-E149 WeakPolarHBondContact OH-CA 3.48Å; Y54-E149 PolarHBondContact OH-O 3.29Å; Y54-L151 HydrophobicContact CD1-CD1 4.12Å; Y54-L151 HydrophobicContact CD1-CD2 4.26Å; Y54-L151 HydrophobicContact CD1-CG 4.46Å; Y54-L151 HydrophobicContact CE1-CD1 3.88Å; Y54-L151 HydrophobicContact CE1-CD2 3.67Å; Y54-L151 HydrophobicContact CE1-CG 3.78Å; Y54-L151 HydrophobicContact CE2-CD2 4.23Å
55T91.3Very high92.8Very high25 Ų2522.8 Ų22.815%0.15313%0.131CC..EExtended strand (participates in β ladder)trans-104.3104.7173.1-55.30000108.3K61 N118 S119T55-K61 HydrophobicContact CG2-CG 4.35Å; T55-N118 PolarHBondContact OG1-O 2.76Å; T55-S119 PolarHBondContact N-O 2.69Å; T55-S119 VanDerWaalsContact N-O 3.14Å
56H89.1Confident92.9Very high30 Ų3022.7 Ų22.714%0.13913%0.13CC..  trans-65.8155.3-179.1-175.3-106.6000111.7Y54 S58 G59 Q60 W78Y54-H56 HydrophobicContact CD1-CB 4.42Å; Y54-H56 HydrophobicContact CE1-CB 4.25Å; H56-S58 PolarHBondContact ND1-N 3.1Å; H56-S58 PolarHBondContact ND1-OG 3.28Å; H56-S58 PolarHBondContact O-N 2.81Å; H56-G59 WeakPolarHBondContact O-CA 3.31Å; H56-G59 PolarHBondContact O-N 2.82Å; H56-Q60 WeakPolarHBondContact CB-O 3.29Å; H56-Q60 PolarHBondContact N-O 3.5Å; H56-W78 HydrophobicContact CB-CH2 4.04Å; H56-W78 HydrophobicContact CB-CZ2 3.64Å
57F86.2Confident93Very high113 Ų11322.1 Ų22.150%0.49613%0.126SC..THydrogen-bonded Turntrans-53.2-27.3-178.587.6-94.2000113.6G59 R150F57-G59 PolarHBondContact O-N 2.96Å; F57-R150 HydrophobicContact CB-CG 4.47Å; F57-R150 HydrophobicContact CD1-CB 4.12Å; F57-R150 HydrophobicContact CD1-CG 3.62Å; F57-R150 HydrophobicContact CE1-CB 4.46Å; F57-R150 HydrophobicContact CE1-CG 4.04Å; F57-R150 HydrophobicContact CG-CG 4.11Å
58S87.4Confident92.9Very high72 Ų7222.3 Ų22.350%0.50313%0.127SC..THydrogen-bonded Turntrans-74.2-0.7176.867.60000114.1H56 Q60H56-S58 PolarHBondContact ND1-N 3.1Å; H56-S58 PolarHBondContact ND1-OG 3.28Å; H56-S58 PolarHBondContact O-N 2.81Å; S58-Q60 VanDerWaalsContact C-N 3.27Å; S58-Q60 PolarHBondContact O-N 3.38Å
59G87.2Confident92.8Very high49 Ų4925.2 Ų25.251%0.50515%0.145SC..SBendtrans81.4-1.3-171.500000114.1H56 F57 K61H56-G59 WeakPolarHBondContact O-CA 3.31Å; H56-G59 PolarHBondContact O-N 2.82Å; F57-G59 PolarHBondContact O-N 2.96Å; G59-K61 PolarHBondContact O-N 3.01Å
60Q88.7Confident92.6Very high64 Ų6425.9 Ų25.930%0.29915%0.149SC..  trans-77.1124-179.6-175.9171.651.800110.8H56 S58 W78 P80H56-Q60 WeakPolarHBondContact CB-O 3.29Å; H56-Q60 PolarHBondContact N-O 3.5Å; S58-Q60 VanDerWaalsContact C-N 3.27Å; S58-Q60 PolarHBondContact O-N 3.38Å; Q60-W78 HydrophobicContact CG-CZ2 4.4Å; Q60-P80 HydrophobicContact CG-CB 4.13Å
61K90.6Very high92.3Very high39 Ų3928 Ų2817%0.1717%0.173CC..EExtended strand (participates in β ladder)trans-86.2148.4174-63.8-174.8179.1179.10112.2T55 G59 L81 D473 L474 E476T55-K61 HydrophobicContact CG2-CG 4.35Å; G59-K61 PolarHBondContact O-N 3.01Å; K61-L81 PolarHBondContact O-N 3.05Å; K61-D473 WeakPolarHBondContact CD-O 3.49Å; K61-D473 PolarHBondContact NZ-O 2.83Å; K61-L474 HydrophobicContact CB-CD2 4.18Å; K61-E476 HydrophobicContact CD-CG 4.41Å; K61-E476 WeakPolarHBondContact CE-OE1 2.78Å; K61-E476 IonicContact NZ-OE1 3.47Å; K61-E476 PolarHBondContact NZ-OE1 3.11Å
62G92.5Very high91.9Very high0 Ų032.7 Ų32.70%020%0.198CC..EExtended strand (participates in β ladder)trans-179.7-159.5-178.700000112.1Y54 C79Y54-G62 PolarHBondContact N-O 3.04Å; Y54-G62 PolarHBondContact O-N 3.03Å; G62-C79 CarbonylContact C-O 3.57Å; G62-C79 VanDerWaalsContact CA-O 3.28Å; G62-C79 WeakPolarHBondContact CA-O 3.33Å
63V94.2Very high91.8Very high2 Ų233.9 Ų33.91%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-126.8132.8-176.2-168.90000109.7L51 M52 I65 C79 L469 L474 V494L51-V63 HydrophobicContact CD2-CG1 4.31Å; M52-V63 WeakPolarHBondContact O-CA 3.43Å; V63-I65 HydrophobicContact CB-CG1 4.3Å; V63-I65 HydrophobicContact CG1-CD1 4.36Å; V63-I65 HydrophobicContact CG1-CG1 3.78Å; V63-C79 PolarHBondContact N-O 2.83Å; V63-C79 PolarHBondContact O-N 3.16Å; V63-L469 HydrophobicContact CG2-CD2 4.04Å; V63-L474 HydrophobicContact CG2-CD1 4.15Å; V63-V494 HydrophobicContact CG2-CG2 3.91Å
64V95.1Very high91.8Very high0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-92.1128.8165.1179.70000108.1M52 Y54 L76 F77 W78 M112 I123 L151M52-V64 HydrophobicContact CE-CB 4.39Å; M52-V64 PolarHBondContact N-O 3.29Å; M52-V64 PolarHBondContact O-N 2.91Å; Y54-V64 HydrophobicContact CD1-CG2 4.14Å; Y54-V64 HydrophobicContact CG-CG2 3.91Å; V64-L76 HydrophobicContact CG1-CD1 3.58Å; V64-L76 HydrophobicContact CG1-CD2 4.08Å; V64-L76 HydrophobicContact CG1-CG 3.85Å; V64-F77 CarbonylContact C-O 3.59Å; V64-F77 WeakPolarHBondContact CA-O 3.29Å; V64-W78 HydrophobicContact CG2-CE3 3.88Å; V64-W78 HydrophobicContact CG2-CZ3 4.3Å; V64-M112 HydrophobicContact CG1-SD 3.9Å; V64-M112 WeakPolarHBondContact O-CE 3.39Å; V64-I123 HydrophobicContact CG1-CD1 4.19Å; V64-L151 HydrophobicContact CG2-CD1 4.16Å; V64-L151 HydrophobicContact CG2-CD2 4.42Å
65I96.8Very high91.9Very high0 Ų034 Ų340%021%0.206CC..EExtended strand (participates in β ladder)trans-124.5124.1-170.3-59.7176.5000109.8K39 F47 L51 V63 F77 C79 V492K39-I65 HydrophobicContact CB-CD1 4.42Å; F47-I65 HydrophobicContact CD1-CG2 3.97Å; F47-I65 HydrophobicContact CD2-CG2 3.85Å; F47-I65 HydrophobicContact CE1-CD1 3.62Å; F47-I65 HydrophobicContact CE1-CG2 3.9Å; F47-I65 HydrophobicContact CE2-CB 4.09Å; F47-I65 HydrophobicContact CE2-CD1 4.22Å; F47-I65 HydrophobicContact CE2-CG2 3.78Å; F47-I65 HydrophobicContact CG-CG2 3.97Å; F47-I65 HydrophobicContact CZ-CB 4.09Å; F47-I65 HydrophobicContact CZ-CD1 3.37Å; F47-I65 HydrophobicContact CZ-CG1 4.31Å; F47-I65 HydrophobicContact CZ-CG2 3.82Å; L51-I65 HydrophobicContact CD2-CB 4.44Å; L51-I65 HydrophobicContact CD2-CD1 4.46Å; L51-I65 HydrophobicContact CD2-CG1 3.87Å; L51-I65 HydrophobicContact CD2-CG2 4.17Å; V63-I65 HydrophobicContact CB-CG1 4.3Å; V63-I65 HydrophobicContact CG1-CD1 4.36Å; V63-I65 HydrophobicContact CG1-CG1 3.78Å; I65-F77 HydrophobicContact CB-CB 4.44Å; I65-F77 PolarHBondContact N-O 2.9Å; I65-F77 PolarHBondContact O-N 3.39Å; I65-C79 HydrophobicContact CD1-CB 4.23Å; I65-C79 WeakPolarHBondContact CD1-SG 3.41Å; I65-V492 HydrophobicContact CD1-CB 4.1Å; I65-V492 HydrophobicContact CD1-CG1 4.28Å; I65-V492 HydrophobicContact CD1-CG2 3.86Å; I65-V492 HydrophobicContact CG2-CG2 4.19Å
66G97Very high92.2Very high0 Ų032.8 Ų32.80%020%0.199CC..EExtended strand (participates in β ladder)trans-82.3142.3172.200000112.6G48 F49 S50 G109G48-G66 PolarHBondContact N-O 2.96Å; G48-G66 VanDerWaalsContact N-O 3.15Å; F49-G66 PolarHBondContact N-O 3.39Å; S50-G66 PolarHBondContact O-N 3.08Å; S50-G66 WeakPolarHBondContact OG-CA 3.39Å; G66-G109 WeakPolarHBondContact CA-O 3.37Å
67S97.1Very high92.5Very high0 Ų032.1 Ų32.10%020%0.196CC..EExtended strand (participates in β ladder)trans-140.471.9-177-156.20000110S45 F47 T69 E70 G74 G75S45-S67 VanDerWaalsContact CB-OG 3.26Å; S45-S67 WeakPolarHBondContact CB-OG 3.2Å; S45-S67 CarbonylContact O-C 3.58Å; S45-S67 PolarHBondContact O-OG 3Å; S45-S67 PolarHBondContact OG-OG 2.88Å; S45-S67 VanDerWaalsContact OG-OG 3.1Å; F47-S67 VanDerWaalsContact CA-OG 3.31Å; F47-S67 WeakPolarHBondContact CA-OG 3.48Å; F47-S67 PolarHBondContact N-OG 2.78Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.91Å; S67-E70 WeakPolarHBondContact O-CB 3.39Å; S67-E70 PolarHBondContact O-N 3.17Å; S67-E70 VanDerWaalsContact O-N 3.07Å; S67-G74 CarbonylContact O-C 3.58Å; S67-G74 WeakPolarHBondContact O-CA 3.31Å; S67-G75 WeakPolarHBondContact CA-O 3.43Å; S67-G75 PolarHBondContact N-O 2.83Å; S67-G75 PolarHBondContact O-N 2.85Å
68P96Very high92.9Very high4 Ų427.6 Ų27.63%0.02618%0.175CC..THydrogen-bonded Turntrans-69.6-14.6-164.927-35.7000115.4F49 G74 L107 L108F49-P68 HydrophobicContact CB-CG 3.68Å; F49-P68 HydrophobicContact CD1-CG 3.88Å; F49-P68 HydrophobicContact CD2-CG 3.78Å; F49-P68 HydrophobicContact CE1-CG 4.5Å; F49-P68 HydrophobicContact CE2-CG 4.39Å; F49-P68 HydrophobicContact CG-CG 3.5Å; F49-P68 VanDerWaalsContact CG-CG 3.5Å; P68-G74 VanDerWaalsContact O-CA 3.22Å; P68-G74 WeakPolarHBondContact O-CA 3.5Å; P68-L107 HydrophobicContact CB-CB 4.02Å; P68-L107 HydrophobicContact CB-CD2 4.22Å; P68-L108 VanDerWaalsContact CA-O 3.28Å; P68-L108 WeakPolarHBondContact CA-O 3.27Å
69T94.2Very high93.2Very high62 Ų6224.2 Ų24.238%0.3815%0.151SC..THydrogen-bonded Turntrans-105.711.2174.965.20000112.5G44 S45 S46 S67 L107G44-T69 PolarHBondContact O-OG1 2.98Å; S45-T69 WeakPolarHBondContact CA-OG1 2.88Å; S45-T69 CarbonylContact O-C 3.56Å; S45-T69 PolarHBondContact O-N 3.25Å; S45-T69 PolarHBondContact O-OG1 2.61Å; S46-T69 WeakPolarHBondContact CB-OG1 3.29Å; S46-T69 PolarHBondContact N-OG1 3.23Å; S46-T69 PolarHBondContact OG-OG1 3.22Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.91Å; T69-L107 HydrophobicContact CG2-CD2 4.5Å
70E93.4Very high93.5Very high38 Ų3822.1 Ų22.118%0.17813%0.129CC..SBendtrans-69.8126171.2-163.4-91.2149.700111S45 S67 G74 F77 R88S45-E70 PolarHBondContact O-N 2.84Å; S67-E70 WeakPolarHBondContact O-CB 3.39Å; S67-E70 PolarHBondContact O-N 3.17Å; S67-E70 VanDerWaalsContact O-N 3.07Å; E70-G74 CarbonylContact O-C 3.54Å; E70-G74 WeakPolarHBondContact O-CA 3.21Å; E70-G74 PolarHBondContact O-N 2.86Å; E70-F77 HydrophobicContact CG-CE2 4.18Å; E70-F77 HydrophobicContact CG-CZ 4.17Å; E70-R88 IonicContact OE1-NE 2.69Å; E70-R88 PolarHBondContact OE1-NE 2.84Å; E70-R88 IonicContact OE2-CZ 3.33Å; E70-R88 IonicContact OE2-NE 2.65Å; E70-R88 PolarHBondContact OE2-NE 3.17Å; E70-R88 IonicContact OE2-NH2 2.73Å; E70-R88 PolarHBondContact OE2-NH2 3.46Å
71G89.4Confident93.4Very high58 Ų5819.5 Ų19.560%0.59812%0.117SC*.THydrogen-bonded Turntrans57.7-149.3-176.800000112.7
72N87.3Confident93Very high116 Ų11624.3 Ų24.362%0.6214%0.144SC*.THydrogen-bonded Turntrans-82-23.6-177.7-73.7-15.3000113.6G105N72-G105 WeakPolarHBondContact O-CA 3.26Å; N72-G105 PolarHBondContact O-N 3.24Å
73N90.3Very high92.4Very high36 Ų3631.4 Ų31.419%0.19317%0.17CC..THydrogen-bonded Turntrans-129.4-3.6-166.5-72.3-32.6000114.8L93 G105 A106 L107 L108N73-L93 HydrophobicContact CB-CD1 3.55Å; N73-G105 PolarHBondContact OD1-N 3.11Å; N73-A106 HydrophobicContact CB-CB 4.13Å; N73-L107 PolarHBondContact O-N 2.98Å; N73-L107 VanDerWaalsContact O-N 3.08Å; N73-L108 WeakPolarHBondContact O-CB 3.37Å; N73-L108 PolarHBondContact O-N 2.86Å
74G93.4Very high91.4Very high5 Ų535.9 Ų35.95%0.05220%0.202CC..BIsolated β-bridgetrans94.4167.4-170.600000112.5S67 P68 E70S67-G74 CarbonylContact O-C 3.58Å; S67-G74 WeakPolarHBondContact O-CA 3.31Å; P68-G74 VanDerWaalsContact O-CA 3.22Å; P68-G74 WeakPolarHBondContact O-CA 3.5Å; E70-G74 CarbonylContact O-C 3.54Å; E70-G74 WeakPolarHBondContact O-CA 3.21Å; E70-G74 PolarHBondContact O-N 2.86Å
75G93.9Very high90.9Very high0 Ų040.6 Ų40.60%023%0.231CC..EExtended strand (participates in β ladder)trans-153166.3-174.300000113.3S67 L108S67-G75 WeakPolarHBondContact CA-O 3.43Å; S67-G75 PolarHBondContact N-O 2.83Å; S67-G75 PolarHBondContact O-N 2.85Å; G75-L108 PolarHBondContact N-O 2.85Å
76L95.6Very high90.7Very high1 Ų142.3 Ų42.31%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-130.9142.7-178.5-169.373.6000109.3V64 I89 M112 I123 V125 F147V64-L76 HydrophobicContact CG1-CD1 3.58Å; V64-L76 HydrophobicContact CG1-CD2 4.08Å; V64-L76 HydrophobicContact CG1-CG 3.85Å; L76-I89 HydrophobicContact CB-CB 4.27Å; L76-I89 HydrophobicContact CB-CD1 4.47Å; L76-I89 HydrophobicContact CD2-CB 4.23Å; L76-I89 HydrophobicContact CD2-CD1 3.59Å; L76-I89 HydrophobicContact CD2-CG2 4.28Å; L76-I89 HydrophobicContact CG-CB 4.48Å; L76-I89 HydrophobicContact CG-CD1 3.82Å; L76-I89 PolarHBondContact O-N 3.39Å; L76-M112 HydrophobicContact CD1-SD 3.48Å; L76-M112 WeakPolarHBondContact CD1-SD 3.34Å; L76-I123 HydrophobicContact CD2-CD1 4.49Å; L76-V125 HydrophobicContact CD1-CG1 4.13Å; L76-V125 HydrophobicContact CD1-CG2 4.24Å; L76-V125 HydrophobicContact CD2-CG2 3.95Å; L76-F147 HydrophobicContact CD2-CE2 4.48Å; L76-F147 HydrophobicContact CD2-CZ 4.42Å
77F96Very high90.6Very high16 Ų1645.2 Ų45.27%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-131.9141.7-177.3-68-98.5000111.7P42 F47 V64 I65 E70 C86 S87 R88P42-F77 HydrophobicContact CG-CZ 4.3Å; F47-F77 HydrophobicContact CD2-CB 4.45Å; F47-F77 AromaticContact CD2-CD2 3.74Å; F47-F77 HydrophobicContact CD2-CD2 3.74Å; F47-F77 HydrophobicContact CD2-CE2 4.13Å; F47-F77 HydrophobicContact CD2-CG 4.03Å; F47-F77 HydrophobicContact CE2-CB 3.7Å; F47-F77 HydrophobicContact CE2-CD1 4.15Å; F47-F77 AromaticContact CE2-CD2 3.83Å; F47-F77 HydrophobicContact CE2-CD2 3.83Å; F47-F77 AromaticContact CE2-CG 3.62Å; F47-F77 HydrophobicContact CE2-CG 3.62Å; V64-F77 CarbonylContact C-O 3.59Å; V64-F77 WeakPolarHBondContact CA-O 3.29Å; I65-F77 HydrophobicContact CB-CB 4.44Å; I65-F77 PolarHBondContact N-O 2.9Å; I65-F77 PolarHBondContact O-N 3.39Å; E70-F77 HydrophobicContact CG-CE2 4.18Å; E70-F77 HydrophobicContact CG-CZ 4.17Å; F77-C86 HydrophobicContact CD1-CB 4.49Å; F77-S87 CarbonylContact C-O 3.59Å; F77-S87 WeakPolarHBondContact CA-O 3.27Å; F77-R88 HydrophobicContact CD1-CB 4.06Å; F77-R88 HydrophobicContact CE1-CB 3.78Å; F77-R88 HydrophobicContact CE1-CG 4.11Å; F77-R88 HydrophobicContact CZ-CB 4.33Å; F77-R88 HydrophobicContact CZ-CG 4.16Å
78W94.9Very high90.4Very high18 Ų1849.6 Ų49.67%0.06828%0.279CS..EExtended strand (participates in β ladder)trans-103.2124.9169.5168.7-123.3000110.2Y54 H56 Q60 V64 P80 C86 S87 I89 L151Y54-W78 HydrophobicContact CD1-CE3 4.27Å; Y54-W78 HydrophobicContact CD1-CH2 4.12Å; Y54-W78 AromaticContact CD1-CZ3 3.79Å; Y54-W78 HydrophobicContact CD1-CZ3 3.79Å; Y54-W78 HydrophobicContact CG-CZ3 4.32Å; Y54-W78 WeakPolarHBondContact O-CH2 3.41Å; H56-W78 HydrophobicContact CB-CH2 4.04Å; H56-W78 HydrophobicContact CB-CZ2 3.64Å; Q60-W78 HydrophobicContact CG-CZ2 4.4Å; V64-W78 HydrophobicContact CG2-CE3 3.88Å; V64-W78 HydrophobicContact CG2-CZ3 4.3Å; W78-P80 HydrophobicContact CZ2-CG 4.37Å; W78-C86 CarbonylContact O-C 3.57Å; W78-C86 WeakPolarHBondContact O-CA 3.12Å; W78-S87 PolarHBondContact N-O 2.96Å; W78-S87 PolarHBondContact O-N 2.95Å; W78-S87 PolarHBondContact O-OG 2.84Å; W78-I89 HydrophobicContact CB-CD1 4.04Å; W78-I89 HydrophobicContact CB-CG1 4.28Å; W78-L151 HydrophobicContact CB-CD1 4.11Å; W78-L151 HydrophobicContact CD2-CD1 4.23Å; W78-L151 HydrophobicContact CE3-CD1 4.28Å; W78-L151 HydrophobicContact CG-CD1 4.19Å
79C94.6Very high90.3Very high0 Ų050.2 Ų50.20%028%0.282CS..EExtended strand (participates in β ladder)trans-126.799.2-178.1-59.40000110.4K39 G62 V63 I65 C86K39-C79 HydrophobicContact CD-CB 4.21Å; K39-C79 HydrophobicContact CG-CB 4.38Å; G62-C79 CarbonylContact C-O 3.57Å; G62-C79 VanDerWaalsContact CA-O 3.28Å; G62-C79 WeakPolarHBondContact CA-O 3.33Å; V63-C79 PolarHBondContact N-O 2.83Å; V63-C79 PolarHBondContact O-N 3.16Å; I65-C79 HydrophobicContact CD1-CB 4.23Å; I65-C79 WeakPolarHBondContact CD1-SG 3.41Å; C79-C86 HydrophobicContact CB-CB 4.13Å; C79-C86 WeakPolarHBondContact CB-SG 3.4Å; C79-C86 WeakPolarHBondContact SG-CB 3.37Å; C79-C86 CovalentContact SG-SG 2.02Å; C79-C86 PolarHBondContact SG-SG 3.41Å
80P92.4Very high89.9Confident5 Ų553.1 Ų53.13%0.03230%0.295CS..EExtended strand (participates in β ladder)trans-57.1146.3171.4-25.435.3000112.4K39 Q60 W78 L82 R83K39-P80 PolarHBondContact NZ-O 2.99Å; Q60-P80 HydrophobicContact CG-CB 4.13Å; W78-P80 HydrophobicContact CZ2-CG 4.37Å; P80-L82 PolarHBondContact O-N 2.86Å; P80-R83 HydrophobicContact CB-CB 4.15Å; P80-R83 HydrophobicContact CB-CG 4.22Å; P80-R83 PolarHBondContact O-N 2.99Å
81L87.6Confident89.6Confident10 Ų1052.4 Ų52.45%0.05229%0.292CS..THydrogen-bonded Turntrans-55.3-57.6-175.8-178.370.4000112.5L37 K39 K61 R83 L474 D475 V494L37-L81 HydrophobicContact CD1-CD1 3.54Å; L37-L81 HydrophobicContact CD1-CG 3.9Å; K39-L81 PolarHBondContact NZ-O 3.39Å; K61-L81 PolarHBondContact O-N 3.05Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 2.77Å; L81-L474 HydrophobicContact CD1-CB 3.95Å; L81-L474 HydrophobicContact CD1-CD1 3.83Å; L81-L474 HydrophobicContact CD2-CB 3.83Å; L81-L474 WeakPolarHBondContact CD2-O 3.45Å; L81-L474 HydrophobicContact CG-CB 4.37Å; L81-D475 HydrophobicContact CD2-CB 4.03Å; L81-V494 HydrophobicContact CD1-CG1 3.85Å
82L80.5Confident89.4Confident140 Ų14053.7 Ų53.773%0.73329%0.286SS*.THydrogen-bonded Turntrans-80.1-2.9-173-60.8175.7000114.5P80P80-L82 PolarHBondContact O-N 2.86Å
83R80.9Confident89.2Confident148 Ų14848.6 Ų48.656%0.55826%0.258SS*.  trans-104132.8177.9-65.6-171178.3177.7-0.1110.6K39 P80 L81 T85K39-R83 PolarHBondContact NZ-O 3.35Å; P80-R83 HydrophobicContact CB-CB 4.15Å; P80-R83 HydrophobicContact CB-CG 4.22Å; P80-R83 PolarHBondContact O-N 2.99Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 2.77Å; R83-T85 VanDerWaalsContact C-N 3.26Å; R83-T85 PolarHBondContact O-N 3.37Å
84S72.7Confident88.8Confident97 Ų9752.6 Ų52.668%0.67828%0.276SS*.SBendtrans-70-26.1172.352.60000112.7
85T84.6Confident88.3Confident99 Ų9958.6 Ų58.661%0.60730%0.3SS*.  trans-86.5135.1-177.452.40000112.3R83R83-T85 VanDerWaalsContact C-N 3.26Å; R83-T85 PolarHBondContact O-N 3.37Å
86C93.6Very high87.6Confident35 Ų3560.9 Ų60.924%0.23631%0.311CS..  trans-106.9140.7173.9-62.80000110.3F77 W78 C79F77-C86 HydrophobicContact CD1-CB 4.49Å; W78-C86 CarbonylContact O-C 3.57Å; W78-C86 WeakPolarHBondContact O-CA 3.12Å; C79-C86 HydrophobicContact CB-CB 4.13Å; C79-C86 WeakPolarHBondContact CB-SG 3.4Å; C79-C86 WeakPolarHBondContact SG-CB 3.37Å; C79-C86 CovalentContact SG-SG 2.02Å; C79-C86 PolarHBondContact SG-SG 3.41Å
87S93.7Very high86.8Confident61 Ų6161.5 Ų61.543%0.42732%0.315SS..EExtended strand (participates in β ladder)trans-100.3133.3174.351.50000110.6F77 W78F77-S87 CarbonylContact C-O 3.59Å; F77-S87 WeakPolarHBondContact CA-O 3.27Å; W78-S87 PolarHBondContact N-O 2.96Å; W78-S87 PolarHBondContact O-N 2.95Å; W78-S87 PolarHBondContact O-OG 2.84Å
88R94.1Very high85.7Confident93 Ų9369 Ų6935%0.35135%0.35SS..EExtended strand (participates in β ladder)trans-67.8141.1171.2-169.4179.2-173.5-82.1-3.9109.8E70 F77 D90E70-R88 IonicContact OE1-NE 2.69Å; E70-R88 PolarHBondContact OE1-NE 2.84Å; E70-R88 IonicContact OE2-CZ 3.33Å; E70-R88 IonicContact OE2-NE 2.65Å; E70-R88 PolarHBondContact OE2-NE 3.17Å; E70-R88 IonicContact OE2-NH2 2.73Å; E70-R88 PolarHBondContact OE2-NH2 3.46Å; F77-R88 HydrophobicContact CD1-CB 4.06Å; F77-R88 HydrophobicContact CE1-CB 3.78Å; F77-R88 HydrophobicContact CE1-CG 4.11Å; F77-R88 HydrophobicContact CZ-CB 4.33Å; F77-R88 HydrophobicContact CZ-CG 4.16Å; R88-D90 IonicContact CZ-OD1 3.8Å; R88-D90 IonicContact NH1-OD1 2.7Å; R88-D90 PolarHBondContact NH1-OD1 2.96Å
89I93.4Very high84.5Confident16 Ų1672.2 Ų72.28%0.08237%0.367CS..EExtended strand (participates in β ladder)trans-99.1115.3171.7-61.9159.8000106.8L76 W78 F147 L151L76-I89 HydrophobicContact CB-CB 4.27Å; L76-I89 HydrophobicContact CB-CD1 4.47Å; L76-I89 HydrophobicContact CD2-CB 4.23Å; L76-I89 HydrophobicContact CD2-CD1 3.59Å; L76-I89 HydrophobicContact CD2-CG2 4.28Å; L76-I89 HydrophobicContact CG-CB 4.48Å; L76-I89 HydrophobicContact CG-CD1 3.82Å; L76-I89 PolarHBondContact O-N 3.39Å; W78-I89 HydrophobicContact CB-CD1 4.04Å; W78-I89 HydrophobicContact CB-CG1 4.28Å; I89-F147 HydrophobicContact CG2-CD1 4.41Å; I89-F147 HydrophobicContact CG2-CE1 3.9Å; I89-L151 HydrophobicContact CD1-CB 4.05Å; I89-L151 HydrophobicContact CD1-CD1 3.79Å; I89-L151 HydrophobicContact CD1-CG 4.4Å; I89-L151 HydrophobicContact CG1-CB 4.44Å; I89-L151 WeakPolarHBondContact CG2-O 3.48Å
90D85.1Confident83.2Confident124 Ų12480 Ų8066%0.66340%0.403SS*.  trans-83.5131-174.2-68.3-31.8000111.8R88R88-D90 IonicContact CZ-OD1 3.8Å; R88-D90 IonicContact NH1-OD1 2.7Å; R88-D90 PolarHBondContact NH1-OD1 2.96Å
91I87.9Confident81.9Confident22 Ų2281 Ų8111%0.11341%0.41CS..  trans-139.2128.8172.2176.9172.4000109L93 E96 L108 F145 F147 P154I91-L93 HydrophobicContact CD1-CD2 4.16Å; I91-L93 HydrophobicContact CG1-CD2 4.37Å; I91-E96 HydrophobicContact CG1-CG 4.29Å; I91-L108 HydrophobicContact CG2-CD2 3.18Å; I91-F145 HydrophobicContact CD1-CB 4.32Å; I91-F145 HydrophobicContact CD1-CD1 3.74Å; I91-F145 HydrophobicContact CD1-CD2 4.12Å; I91-F145 HydrophobicContact CD1-CE1 4.03Å; I91-F145 HydrophobicContact CD1-CE2 4.4Å; I91-F145 HydrophobicContact CD1-CG 3.79Å; I91-F145 HydrophobicContact CD1-CZ 4.36Å; I91-F147 HydrophobicContact CB-CZ 4.41Å; I91-F147 HydrophobicContact CD1-CZ 3.97Å; I91-P154 HydrophobicContact CB-CG 4.38Å; I91-P154 HydrophobicContact CD1-CB 3.62Å; I91-P154 HydrophobicContact CD1-CG 3.91Å; I91-P154 HydrophobicContact CG1-CB 4.17Å; I91-P154 HydrophobicContact CG1-CG 3.86Å
92D84.6Confident80.8Confident85 Ų8581.7 Ų81.746%0.45542%0.419SS..  trans-97.899.6175-179.2-12.6000108.8E94 K95 E96D92-E94 PolarHBondContact O-N 2.84Å; D92-E94 PolarHBondContact OD1-N 3.35Å; D92-K95 HydrophobicContact CB-CB 3.82Å; D92-K95 VanDerWaalsContact CG-CB 3.49Å; D92-K95 PolarHBondContact O-N 2.72Å; D92-K95 PolarHBondContact OD1-N 2.8Å; D92-K95 VanDerWaalsContact OD1-N 3.17Å; D92-E96 WeakPolarHBondContact O-CG 3.41Å; D92-E96 PolarHBondContact O-N 3.46Å
93L84.3Confident80.4Confident9 Ų978.3 Ų78.35%0.04740%0.401CS..Hα-helixtrans-60.6-31.7-177.8-66177.3000112.7N73 I91 T97 A106 L130 F145N73-L93 HydrophobicContact CB-CD1 3.55Å; I91-L93 HydrophobicContact CD1-CD2 4.16Å; I91-L93 HydrophobicContact CG1-CD2 4.37Å; L93-T97 VanDerWaalsContact O-CB 3.26Å; L93-T97 WeakPolarHBondContact O-CB 3.18Å; L93-T97 WeakPolarHBondContact O-CG2 3.33Å; L93-T97 PolarHBondContact O-N 2.73Å; L93-T97 PolarHBondContact O-OG1 3.08Å; L93-A106 HydrophobicContact CD1-CB 3.87Å; L93-L130 HydrophobicContact CD1-CD1 4.32Å; L93-F145 HydrophobicContact CD2-CE1 4.22Å; L93-F145 HydrophobicContact CD2-CE2 3.69Å; L93-F145 HydrophobicContact CD2-CZ 3.4Å; L93-F145 VanDerWaalsContact CD2-CZ 3.4Å
94E80.8Confident80.4Confident120 Ų12076.8 Ų76.856%0.56140%0.404SS*.Hα-helixtrans-70.5-43.5179.8-58.7-171.317000110.4D92 H98 P101D92-E94 PolarHBondContact O-N 2.84Å; D92-E94 PolarHBondContact OD1-N 3.35Å; E94-H98 PolarHBondContact O-N 3.01Å; E94-H98 VanDerWaalsContact O-N 3.14Å; E94-P101 HydrophobicContact CG-CG 4.2Å
95K82.1Confident81.1Confident131 Ų13173.2 Ų73.257%0.5738%0.383SS*.Hα-helixtrans-63.1-47.1176.7-175.7-171.8170.1-144.30111.9D92 H98D92-K95 HydrophobicContact CB-CB 3.82Å; D92-K95 VanDerWaalsContact CG-CB 3.49Å; D92-K95 PolarHBondContact O-N 2.72Å; D92-K95 PolarHBondContact OD1-N 2.8Å; D92-K95 VanDerWaalsContact OD1-N 3.17Å; K95-H98 PolarHBondContact O-CE1 3.08Å; K95-H98 PolarHBondContact O-ND1 3.13Å
96E80.1Confident81.4Confident49 Ų4968.6 Ų68.623%0.22936%0.355CS..Hα-helixtrans-80.6-22.9-172.7-59.1-52.3147.600113.6I91 D92 F145 P154I91-E96 HydrophobicContact CG1-CG 4.29Å; D92-E96 WeakPolarHBondContact O-CG 3.41Å; D92-E96 PolarHBondContact O-N 3.46Å; E96-F145 HydrophobicContact CB-CE1 4.27Å; E96-P154 HydrophobicContact CG-CG 3.9Å
97T78.6Confident81.5Confident14 Ų1469 Ų699%0.08635%0.354CS..Hα-helixtrans-91-14.7174.463.60000113.3L93 M99 L130 F145 L156L93-T97 VanDerWaalsContact O-CB 3.26Å; L93-T97 WeakPolarHBondContact O-CB 3.18Å; L93-T97 WeakPolarHBondContact O-CG2 3.33Å; L93-T97 PolarHBondContact O-N 2.73Å; L93-T97 PolarHBondContact O-OG1 3.08Å; T97-M99 WeakPolarHBondContact O-CG 3.44Å; T97-M99 PolarHBondContact O-N 3.46Å; T97-M99 VanDerWaalsContact O-N 3.13Å; T97-M99 PolarHBondContact OG1-N 3.23Å; T97-M99 PolarHBondContact OG1-O 2.7Å; T97-L130 HydrophobicContact CG2-CD1 4.38Å; T97-L130 HydrophobicContact CG2-CD2 4.07Å; T97-F145 HydrophobicContact CG2-CZ 4.36Å; T97-L156 HydrophobicContact CG2-CD2 3.97Å
98H73Confident81.5Confident173 Ų17366.2 Ų66.280%0.80134%0.335SS*.THydrogen-bonded Turntrans5324.3-169.4-56.8-55.1000113.6E94 K95E94-H98 PolarHBondContact O-N 3.01Å; E94-H98 VanDerWaalsContact O-N 3.14Å; K95-H98 PolarHBondContact O-CE1 3.08Å; K95-H98 PolarHBondContact O-ND1 3.13Å
99M69.5Low81.6Confident85 Ų8561.8 Ų61.842%0.41932%0.318SS..SBendtrans-139.3148.8-171.9-70.3165.6178.300109.8T97 P101 W132T97-M99 WeakPolarHBondContact O-CG 3.44Å; T97-M99 PolarHBondContact O-N 3.46Å; T97-M99 VanDerWaalsContact O-N 3.13Å; T97-M99 PolarHBondContact OG1-N 3.23Å; T97-M99 PolarHBondContact OG1-O 2.7Å; M99-P101 WeakPolarHBondContact O-CD 3.38Å; M99-W132 HydrophobicContact CE-CE3 3.53Å; M99-W132 HydrophobicContact CE-CZ3 3.32Å; M99-W132 HydrophobicContact CG-CE3 4.4Å; M99-W132 HydrophobicContact SD-CD2 4.14Å; M99-W132 HydrophobicContact SD-CE3 3.18Å; M99-W132 HydrophobicContact SD-CZ3 3.64Å
100Q67.1Low81.8Confident163 Ų16364.8 Ų64.876%0.76233%0.329SS*.  trans-76.2120.4168.7-75.9-178-8.400108.9G102Q100-G102 PolarHBondContact O-N 2.93Å
101P64.9Low82.4Confident28 Ų2859.5 Ų59.518%0.18230%0.301CS..BIsolated β-bridgetrans-55.5128.4173.3-22.532.3000109.6E94 M99 L103 S131E94-P101 HydrophobicContact CG-CG 4.2Å; M99-P101 WeakPolarHBondContact O-CD 3.38Å; P101-L103 PolarHBondContact O-N 3.38Å; P101-S131 VanDerWaalsContact CA-O 3.24Å; P101-S131 WeakPolarHBondContact CA-O 3.18Å
102G64.5Low82.7Confident23 Ų2359.7 Ų59.724%0.23730%0.302CS..SBendtrans-71.5-21.8-175.900000113.6Q100 S131Q100-G102 PolarHBondContact O-N 2.93Å; G102-S131 PolarHBondContact N-O 3.29Å; G102-S131 VanDerWaalsContact N-O 3.14Å; G102-S131 PolarHBondContact N-OG 2.84Å
103L73.5Confident83.2Confident69 Ų6956.2 Ų56.236%0.36128%0.284SS..SBendtrans-144.1143.3-178.4-68.7154.9000109.3P101 S131 V138 L140P101-L103 PolarHBondContact O-N 3.38Å; L103-S131 WeakPolarHBondContact CB-OG 3.44Å; L103-S131 PolarHBondContact N-OG 3.12Å; L103-V138 HydrophobicContact CD1-CG1 3.66Å; L103-V138 HydrophobicContact CG-CG1 3.95Å; L103-L140 HydrophobicContact CD1-CD1 3.73Å; L103-L140 HydrophobicContact CD1-CD2 4.04Å; L103-L140 HydrophobicContact CD1-CG 4.17Å
104N81.4Confident83.5Confident116 Ų11656.7 Ų56.762%0.6229%0.288SS*.SBendtrans-66.4156.1161.8-67.4-18.5000110.1
105G86.6Confident83.7Confident23 Ų2351.1 Ų51.124%0.23726%0.263CS..  trans91.647.4174.100000113.3N72 N73 L107 R129N72-G105 WeakPolarHBondContact O-CA 3.26Å; N72-G105 PolarHBondContact O-N 3.24Å; N73-G105 PolarHBondContact OD1-N 3.11Å; G105-L107 PolarHBondContact O-N 2.79Å; G105-R129 WeakPolarHBondContact O-CB 3.27Å; G105-R129 WeakPolarHBondContact O-CD 3.27Å
106A91Very high83.6Confident2 Ų248.9 Ų48.92%0.01725%0.254CS..  trans-62.3-19-179.700000114.6N73 L93 A127 R129 L130N73-A106 HydrophobicContact CB-CB 4.13Å; L93-A106 HydrophobicContact CD1-CB 3.87Å; A106-A127 HydrophobicContact CB-CB 4.32Å; A106-A127 CarbonylContact O-C 3.57Å; A106-A127 VanDerWaalsContact O-C 3.29Å; A106-A127 WeakPolarHBondContact O-CA 3.48Å; A106-A127 WeakPolarHBondContact O-CB 3.3Å; A106-R129 CarbonylContact O-C 3.55Å; A106-R129 WeakPolarHBondContact O-CA 3.29Å; A106-R129 WeakPolarHBondContact O-CB 3.49Å; A106-R129 PolarHBondContact O-N 2.65Å; A106-L130 HydrophobicContact CB-CB 4.47Å; A106-L130 HydrophobicContact CB-CD1 4.12Å; A106-L130 PolarHBondContact O-N 2.86Å
107L94.7Very high83Confident43 Ų4352.4 Ų52.423%0.22527%0.274CS..  trans61.442.8-176.8-54.8177.7000113.3P68 T69 N73 G105 G109 Y110 P128 R129P68-L107 HydrophobicContact CB-CB 4.02Å; P68-L107 HydrophobicContact CB-CD2 4.22Å; T69-L107 HydrophobicContact CG2-CD2 4.5Å; N73-L107 PolarHBondContact O-N 2.98Å; N73-L107 VanDerWaalsContact O-N 3.08Å; G105-L107 PolarHBondContact O-N 2.79Å; L107-G109 PolarHBondContact O-N 2.62Å; L107-Y110 HydrophobicContact CB-CD2 4.36Å; L107-Y110 HydrophobicContact CD1-CD2 4.31Å; L107-Y110 VanDerWaalsContact O-CB 3.28Å; L107-Y110 WeakPolarHBondContact O-CB 3.42Å; L107-Y110 PolarHBondContact O-N 3.2Å; L107-P128 HydrophobicContact CB-CG 4.34Å; L107-R129 HydrophobicContact CD1-CB 4.22Å; L107-R129 HydrophobicContact CD1-CG 4.14Å; L107-R129 HydrophobicContact CG-CB 4.14Å
108L95.4Very high82.4Confident2 Ų257.1 Ų57.11%0.0130%0.299CS..BIsolated β-bridgetrans-59.9134175.3176.973.9000111.5P68 N73 G75 I91 V125 A127 F145P68-L108 VanDerWaalsContact CA-O 3.28Å; P68-L108 WeakPolarHBondContact CA-O 3.27Å; N73-L108 WeakPolarHBondContact O-CB 3.37Å; N73-L108 PolarHBondContact O-N 2.86Å; G75-L108 PolarHBondContact N-O 2.85Å; I91-L108 HydrophobicContact CG2-CD2 3.18Å; L108-V125 HydrophobicContact CD1-CG1 4.14Å; L108-A127 HydrophobicContact CB-CB 4.2Å; L108-A127 HydrophobicContact CD1-CB 4.23Å; L108-F145 HydrophobicContact CD1-CD2 3.98Å; L108-F145 HydrophobicContact CD1-CE2 4.17Å
109G95.7Very high82.2Confident0 Ų049.7 Ų49.70%027%0.266CS..THydrogen-bonded Turntrans88.115.9-175.500000112.7S50 G66 L107 C126S50-G109 PolarHBondContact OG-O 3.5Å; G66-G109 WeakPolarHBondContact CA-O 3.37Å; L107-G109 PolarHBondContact O-N 2.62Å; G109-C126 PolarHBondContact N-O 2.01Å
110Y97.5Very high82.6Confident80 Ų8053.8 Ų53.831%0.31428%0.277SS..SBendtrans-68-44.1176.7-170.5-86000112.4F49 S50 L107 C126 P128 A183F49-Y110 HydrophobicContact CD1-CD2 4.28Å; F49-Y110 HydrophobicContact CD1-CG 4.48Å; F49-Y110 WeakPolarHBondContact CD1-O 3.29Å; F49-Y110 HydrophobicContact CE1-CD1 4.1Å; F49-Y110 AromaticContact CE1-CD2 3.42Å; F49-Y110 HydrophobicContact CE1-CD2 3.42Å; F49-Y110 VanDerWaalsContact CE1-CD2 3.42Å; F49-Y110 HydrophobicContact CE1-CE1 4.13Å; F49-Y110 AromaticContact CE1-CE2 3.48Å; F49-Y110 HydrophobicContact CE1-CE2 3.48Å; F49-Y110 VanDerWaalsContact CE1-CE2 3.48Å; F49-Y110 AromaticContact CE1-CG 3.75Å; F49-Y110 HydrophobicContact CE1-CG 3.75Å; F49-Y110 AromaticContact CE1-CZ 3.84Å; F49-Y110 WeakPolarHBondContact CE1-O 3.29Å; F49-Y110 HydrophobicContact CE2-CE2 4.35Å; F49-Y110 AromaticContact CZ-CD2 3.65Å; F49-Y110 HydrophobicContact CZ-CD2 3.65Å; F49-Y110 HydrophobicContact CZ-CE1 4.49Å; F49-Y110 AromaticContact CZ-CE2 3.28Å; F49-Y110 HydrophobicContact CZ-CE2 3.28Å; F49-Y110 HydrophobicContact CZ-CG 4.4Å; F49-Y110 AromaticContact CZ-CZ 3.75Å; S50-Y110 WeakPolarHBondContact CB-O 3.09Å; L107-Y110 HydrophobicContact CB-CD2 4.36Å; L107-Y110 HydrophobicContact CD1-CD2 4.31Å; L107-Y110 VanDerWaalsContact O-CB 3.28Å; L107-Y110 WeakPolarHBondContact O-CB 3.42Å; L107-Y110 PolarHBondContact O-N 3.2Å; Y110-C126 PolarHBondContact N-O 2.95Å; Y110-P128 VanDerWaalsContact CB-CD 3.46Å; Y110-P128 HydrophobicContact CD1-CG 3.87Å; Y110-P128 HydrophobicContact CD2-CG 3.99Å; Y110-P128 HydrophobicContact CE1-CG 4.47Å; Y110-P128 HydrophobicContact CG-CG 3.61Å; Y110-A183 WeakPolarHBondContact CD1-O 3.24Å; Y110-A183 HydrophobicContact CE1-CB 4.3Å; Y110-A183 WeakPolarHBondContact CE1-O 3.48Å
111S97Very high83.5Confident12 Ų1246 Ų468%0.08424%0.241CC..EExtended strand (participates in β ladder)trans-138.6152.1176.772.10000110.8C126 G182 V185S111-C126 PolarHBondContact O-N 3.05Å; S111-C126 WeakPolarHBondContact OG-CB 3.33Å; S111-G182 PolarHBondContact OG-O 3.21Å; S111-V185 WeakPolarHBondContact OG-CG1 3.21Å
112M95.4Very high84.7Confident27 Ų2746.4 Ų46.413%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-144.1149.6-175.5-57.9-175.9-63.100111S50 M52 V64 L76 T124 V125S50-M112 VanDerWaalsContact C-CE 3.43Å; S50-M112 WeakPolarHBondContact O-CE 3.26Å; S50-M112 VanDerWaalsContact OG-CE 3.26Å; S50-M112 WeakPolarHBondContact OG-CE 3.47Å; M52-M112 HydrophobicContact CB-CE 4.01Å; M52-M112 HydrophobicContact SD-CB 4.44Å; V64-M112 HydrophobicContact CG1-SD 3.9Å; V64-M112 WeakPolarHBondContact O-CE 3.39Å; L76-M112 HydrophobicContact CD1-SD 3.48Å; L76-M112 WeakPolarHBondContact CD1-SD 3.34Å; M112-T124 CarbonylContact C-O 3.58Å; M112-T124 VanDerWaalsContact CA-O 3.23Å; M112-T124 WeakPolarHBondContact CA-O 3.34Å; M112-V125 HydrophobicContact CG-CB 4.44Å; M112-V125 HydrophobicContact CG-CG1 4.15Å; M112-V125 HydrophobicContact CG-CG2 4.04Å; M112-V125 HydrophobicContact SD-CG2 4.3Å
113S94.1Very high86Confident11 Ų1145.3 Ų45.38%0.07723%0.232CC..EExtended strand (participates in β ladder)trans-150.5153.7172.9-1750000111.2T124 N186 Q187S113-T124 PolarHBondContact N-O 3.23Å; S113-T124 PolarHBondContact O-N 3.05Å; S113-N186 WeakPolarHBondContact OG-CA 3.22Å; S113-Q187 PolarHBondContact OG-N 3.14Å
114S91.2Very high87.1Confident19 Ų1942.2 Ų42.213%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-132.1145.5167.5-174.20000108.8F116 P122S114-F116 VanDerWaalsContact C-N 3.34Å; S114-P122 PolarHBondContact OG-O 3.06Å
115A84.5Confident87.7Confident4 Ų436.7 Ų36.73%0.03319%0.187CC..SBendtrans-85.8-3178.200000114Q187 P189 P192A115-Q187 HydrophobicContact CB-CB 3.86Å; A115-P189 WeakPolarHBondContact O-CA 3.38Å; A115-P192 VanDerWaalsContact CB-CA 3.47Å; A115-P192 HydrophobicContact CB-CB 3.41Å; A115-P192 VanDerWaalsContact CB-CB 3.41Å
116F80.5Confident88.2Confident84 Ų8435.6 Ų35.637%0.36818%0.175SC..SBendtrans-110.3135.6-170.6-64.6-93.8000111.2S114 S119 R120 P122S114-F116 VanDerWaalsContact C-N 3.34Å; F116-S119 WeakPolarHBondContact O-CA 3.21Å; F116-S119 PolarHBondContact O-N 2.85Å; F116-R120 WeakPolarHBondContact CB-O 3.25Å; F116-R120 WeakPolarHBondContact CD1-O 3.34Å; F116-R120 WeakPolarHBondContact CG-O 3.14Å; F116-P122 VanDerWaalsContact CE2-CD 3.44Å; F116-P122 HydrophobicContact CE2-CG 3.76Å
117N68.1Low88.4Confident122 Ų12235.5 Ų35.565%0.65217%0.174SC*.G310 helixtrans-60.3138.2170.3-68.6-1.9000109.2S119 P189N117-S119 PolarHBondContact O-N 3.45Å; N117-P189 WeakPolarHBondContact OD1-CG 3.36Å
118N65.8Low88.4Confident113 Ų11333.8 Ų33.860%0.60417%0.166SC*.G310 helixtrans62.614.4-170.1-54.3-10.8000114.6T55 R120T55-N118 PolarHBondContact OG1-O 2.76Å; N118-R120 PolarHBondContact O-N 3.12Å
119S68.3Low88.3Confident18 Ų1839.1 Ų39.113%0.12619%0.186CC..G310 helixtrans51.942.8174.8-54.50000113.1G53 Y54 T55 F116 N117G53-S119 WeakPolarHBondContact O-CB 3.14Å; G53-S119 PolarHBondContact O-OG 3.15Å; Y54-S119 WeakPolarHBondContact CD2-O 3.46Å; Y54-S119 VanDerWaalsContact CE2-O 3.29Å; Y54-S119 WeakPolarHBondContact CE2-O 3.33Å; T55-S119 PolarHBondContact N-O 2.69Å; T55-S119 VanDerWaalsContact N-O 3.14Å; F116-S119 WeakPolarHBondContact O-CA 3.21Å; F116-S119 PolarHBondContact O-N 2.85Å; N117-S119 PolarHBondContact O-N 3.45Å
120R78.3Confident88Confident170 Ų17039.7 Ų39.764%0.64219%0.189SC*.  trans-99.1102.9169.9-178.3-176.1177.2179.61.5108.2F116 N118F116-R120 WeakPolarHBondContact CB-O 3.25Å; F116-R120 WeakPolarHBondContact CD1-O 3.34Å; F116-R120 WeakPolarHBondContact CG-O 3.14Å; N118-R120 PolarHBondContact O-N 3.12Å
121G84.9Confident87.5Confident1 Ų136.2 Ų36.21%0.0118%0.177CC..SBendtrans154.2-174.5-17800000112.9Y54Y54-G121 WeakPolarHBondContact CE2-O 3.3Å; Y54-G121 PolarHBondContact OH-O 3.15Å
122P89.8Confident86.6Confident36 Ų3638.6 Ų38.623%0.23418%0.184CC..  trans-58.9152.6169.425.5-36.2000112.2S114 F116 E146 F147S114-P122 PolarHBondContact OG-O 3.06Å; F116-P122 VanDerWaalsContact CE2-CD 3.44Å; F116-P122 HydrophobicContact CE2-CG 3.76Å; P122-E146 HydrophobicContact CB-CG 4.12Å; P122-F147 CarbonylContact C-O 3.45Å; P122-F147 WeakPolarHBondContact CA-O 2.97Å; P122-F147 WeakPolarHBondContact CB-O 3.39Å
123I93.2Very high85.5Confident0 Ų040.9 Ų40.90%020%0.202CC..EExtended strand (participates in β ladder)trans-125.7143.3179.267.8163.7000110.5M52 Y54 V64 L76 V125 E146 F147 L151M52-I123 HydrophobicContact CE-CB 3.74Å; M52-I123 HydrophobicContact CE-CD1 3.9Å; M52-I123 HydrophobicContact CE-CG1 4.44Å; M52-I123 HydrophobicContact CE-CG2 3.39Å; Y54-I123 HydrophobicContact CD2-CG2 3.74Å; Y54-I123 HydrophobicContact CE2-CG2 3.41Å; Y54-I123 VanDerWaalsContact CE2-CG2 3.41Å; V64-I123 HydrophobicContact CG1-CD1 4.19Å; L76-I123 HydrophobicContact CD2-CD1 4.49Å; I123-V125 HydrophobicContact CD1-CG2 3.89Å; I123-V125 HydrophobicContact CG1-CG2 4.3Å; I123-E146 CarbonylContact O-C 3.58Å; I123-E146 WeakPolarHBondContact O-CA 3.19Å; I123-F147 HydrophobicContact CG1-CB 3.84Å; I123-F147 HydrophobicContact CG1-CD2 4.39Å; I123-F147 HydrophobicContact CG1-CG 4.44Å; I123-F147 PolarHBondContact N-O 3.19Å; I123-F147 PolarHBondContact O-N 3.15Å; I123-L151 HydrophobicContact CD1-CD2 3.46Å; I123-L151 VanDerWaalsContact CD1-CD2 3.46Å; I123-L151 HydrophobicContact CG1-CD2 3.9Å
124T94.6Very high84.3Confident3 Ų342.7 Ų42.72%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-101.7129.6172.3-570000109.6M112 S113 C144 F145 V185 Q187 L195M112-T124 CarbonylContact C-O 3.58Å; M112-T124 VanDerWaalsContact CA-O 3.23Å; M112-T124 WeakPolarHBondContact CA-O 3.34Å; S113-T124 PolarHBondContact N-O 3.23Å; S113-T124 PolarHBondContact O-N 3.05Å; T124-C144 HydrophobicContact CG2-CB 3.8Å; T124-F145 CarbonylContact C-O 3.48Å; T124-F145 VanDerWaalsContact CA-O 3.32Å; T124-F145 WeakPolarHBondContact CA-O 3.46Å; T124-V185 HydrophobicContact CG2-CG2 4.27Å; T124-Q187 PolarHBondContact OG1-OE1 3.1Å; T124-L195 HydrophobicContact CG2-CD1 4Å; T124-L195 HydrophobicContact CG2-CD2 4.02Å
125V95.7Very high83.1Confident0 Ų047.5 Ų47.50%026%0.256CS..EExtended strand (participates in β ladder)trans-128133.6177.5-178.40000109.4L76 L108 M112 I123 C144 F145 F147L76-V125 HydrophobicContact CD1-CG1 4.13Å; L76-V125 HydrophobicContact CD1-CG2 4.24Å; L76-V125 HydrophobicContact CD2-CG2 3.95Å; L108-V125 HydrophobicContact CD1-CG1 4.14Å; M112-V125 HydrophobicContact CG-CB 4.44Å; M112-V125 HydrophobicContact CG-CG1 4.15Å; M112-V125 HydrophobicContact CG-CG2 4.04Å; M112-V125 HydrophobicContact SD-CG2 4.3Å; I123-V125 HydrophobicContact CD1-CG2 3.89Å; I123-V125 HydrophobicContact CG1-CG2 4.3Å; V125-C144 CarbonylContact O-C 3.34Å; V125-C144 WeakPolarHBondContact O-CA 3.48Å; V125-F145 PolarHBondContact N-O 3.36Å; V125-F145 PolarHBondContact O-N 3.16Å; V125-F147 HydrophobicContact CB-CD2 4.43Å; V125-F147 HydrophobicContact CB-CE2 4.02Å; V125-F147 HydrophobicContact CG2-CD2 4.1Å; V125-F147 HydrophobicContact CG2-CE2 4.05Å
126C96.6Very high82.2Confident0 Ų051.9 Ų51.90%029%0.292CS..EExtended strand (participates in β ladder)trans-115.4156.4-173-56.90000114.5G109 Y110 S111 G143 C144 G182G109-C126 PolarHBondContact N-O 2.01Å; Y110-C126 PolarHBondContact N-O 2.95Å; S111-C126 PolarHBondContact O-N 3.05Å; S111-C126 WeakPolarHBondContact OG-CB 3.33Å; C126-G143 CarbonylContact C-O 3.4Å; C126-G143 WeakPolarHBondContact CA-O 3Å; C126-C144 HydrophobicContact CB-CB 4.09Å; C126-C144 WeakPolarHBondContact CB-SG 3.41Å; C126-C144 WeakPolarHBondContact SG-CB 3.19Å; C126-C144 CovalentContact SG-SG 2.05Å; C126-C144 PolarHBondContact SG-SG 2.76Å; C126-G182 VanDerWaalsContact CB-O 3.28Å; C126-G182 WeakPolarHBondContact CB-O 3.34Å
127A95.4Very high81.7Confident0 Ų050.3 Ų50.30%029%0.291CS..EExtended strand (participates in β ladder)trans-133.186.6179.100000108.9A106 L108 R129 L130 G142 G143 F145A106-A127 HydrophobicContact CB-CB 4.32Å; A106-A127 CarbonylContact O-C 3.57Å; A106-A127 VanDerWaalsContact O-C 3.29Å; A106-A127 WeakPolarHBondContact O-CA 3.48Å; A106-A127 WeakPolarHBondContact O-CB 3.3Å; L108-A127 HydrophobicContact CB-CB 4.2Å; L108-A127 HydrophobicContact CD1-CB 4.23Å; A127-R129 PolarHBondContact O-N 2.87Å; A127-L130 HydrophobicContact CB-CB 4.13Å; A127-L130 VanDerWaalsContact O-CB 3.23Å; A127-L130 WeakPolarHBondContact O-CB 3.35Å; A127-L130 PolarHBondContact O-N 3.22Å; A127-G142 WeakPolarHBondContact O-CA 3.43Å; A127-G143 PolarHBondContact N-O 2.87Å; A127-G143 PolarHBondContact O-N 2.87Å; A127-G143 VanDerWaalsContact O-N 3.08Å; A127-F145 HydrophobicContact CB-CE2 4.38Å
128P94.6Very high82Confident7 Ų746.9 Ų46.95%0.04528%0.275CS..THydrogen-bonded Turntrans-67.5-19.9-171.624.9-34.2000114.2L107 Y110 G142 T180 F181 A183L107-P128 HydrophobicContact CB-CG 4.34Å; Y110-P128 VanDerWaalsContact CB-CD 3.46Å; Y110-P128 HydrophobicContact CD1-CG 3.87Å; Y110-P128 HydrophobicContact CD2-CG 3.99Å; Y110-P128 HydrophobicContact CE1-CG 4.47Å; Y110-P128 HydrophobicContact CG-CG 3.61Å; P128-G142 WeakPolarHBondContact O-CA 3.47Å; P128-T180 VanDerWaalsContact O-CA 3.29Å; P128-T180 WeakPolarHBondContact O-CA 3.3Å; P128-F181 WeakPolarHBondContact CA-O 3.26Å; P128-A183 HydrophobicContact CB-CB 4.38Å
129R91.9Very high82.6Confident114 Ų11444.1 Ų44.143%0.4326%0.256SS..THydrogen-bonded Turntrans-95.27.7174.4-99.5-172.4169.5-104.9-0113.3G105 A106 L107 A127 S131 L140G105-R129 WeakPolarHBondContact O-CB 3.27Å; G105-R129 WeakPolarHBondContact O-CD 3.27Å; A106-R129 CarbonylContact O-C 3.55Å; A106-R129 WeakPolarHBondContact O-CA 3.29Å; A106-R129 WeakPolarHBondContact O-CB 3.49Å; A106-R129 PolarHBondContact O-N 2.65Å; L107-R129 HydrophobicContact CD1-CB 4.22Å; L107-R129 HydrophobicContact CD1-CG 4.14Å; L107-R129 HydrophobicContact CG-CB 4.14Å; A127-R129 PolarHBondContact O-N 2.87Å; R129-S131 PolarHBondContact O-N 3.1Å; R129-S131 VanDerWaalsContact O-N 3.09Å; R129-L140 HydrophobicContact CG-CD2 4.13Å
130L90.9Very high83.5Confident13 Ų1343.4 Ų43.47%0.06825%0.251CS..  trans-56121.9174.3-172.267.5000109.2L93 T97 A106 A127 P141 G142 F145 L156L93-L130 HydrophobicContact CD1-CD1 4.32Å; T97-L130 HydrophobicContact CG2-CD1 4.38Å; T97-L130 HydrophobicContact CG2-CD2 4.07Å; A106-L130 HydrophobicContact CB-CB 4.47Å; A106-L130 HydrophobicContact CB-CD1 4.12Å; A106-L130 PolarHBondContact O-N 2.86Å; A127-L130 HydrophobicContact CB-CB 4.13Å; A127-L130 VanDerWaalsContact O-CB 3.23Å; A127-L130 WeakPolarHBondContact O-CB 3.35Å; A127-L130 PolarHBondContact O-N 3.22Å; L130-P141 WeakPolarHBondContact O-CD 3.48Å; L130-G142 PolarHBondContact O-N 2.9Å; L130-G142 VanDerWaalsContact O-N 3.12Å; L130-F145 HydrophobicContact CD2-CE2 4.32Å; L130-F145 HydrophobicContact CD2-CZ 3.99Å; L130-L156 HydrophobicContact CD2-CD1 4.19Å
131S87.1Confident84Confident7 Ų735.6 Ų35.65%0.04922%0.222CC..  trans-129.6156.6-171700000109.8P101 G102 L103 R129 Y139P101-S131 VanDerWaalsContact CA-O 3.24Å; P101-S131 WeakPolarHBondContact CA-O 3.18Å; G102-S131 PolarHBondContact N-O 3.29Å; G102-S131 VanDerWaalsContact N-O 3.14Å; G102-S131 PolarHBondContact N-OG 2.84Å; L103-S131 WeakPolarHBondContact CB-OG 3.44Å; L103-S131 PolarHBondContact N-OG 3.12Å; R129-S131 PolarHBondContact O-N 3.1Å; R129-S131 VanDerWaalsContact O-N 3.09Å; S131-Y139 VanDerWaalsContact CA-O 3.26Å; S131-Y139 WeakPolarHBondContact CA-O 3.29Å; S131-Y139 WeakPolarHBondContact CB-O 3.37Å
132W78Confident84.4Confident61 Ų6135.5 Ų35.523%0.23122%0.222CC..EExtended strand (participates in β ladder)trans-135.5143173.160-16.9000109M99 Y139 L165M99-W132 HydrophobicContact CE-CE3 3.53Å; M99-W132 HydrophobicContact CE-CZ3 3.32Å; M99-W132 HydrophobicContact CG-CE3 4.4Å; M99-W132 HydrophobicContact SD-CD2 4.14Å; M99-W132 HydrophobicContact SD-CE3 3.18Å; M99-W132 HydrophobicContact SD-CZ3 3.64Å; W132-Y139 PolarHBondContact N-O 2.89Å; W132-Y139 AromaticContact NE1-CD2 3.87Å; W132-Y139 AromaticContact NE1-CG 3.93Å; W132-Y139 PolarHBondContact O-N 3.45Å; W132-Y139 VanDerWaalsContact O-N 3.08Å; W132-L165 HydrophobicContact CH2-CD1 3.65Å; W132-L165 HydrophobicContact CZ2-CD1 3.48Å; W132-L165 VanDerWaalsContact CZ2-CD1 3.48Å; W132-L165 HydrophobicContact CZ2-CD2 4.11Å; W132-L165 HydrophobicContact CZ2-CG 3.97Å
133S72.3Confident84.4Confident75 Ų7533.9 Ų33.952%0.52421%0.211SC..EExtended strand (participates in β ladder)trans-97.1129.6175.5-176.20000109.7
134S68.1Low84.5Confident50 Ų5033.9 Ų33.935%0.3521%0.211SC..EExtended strand (participates in β ladder)trans-105.4163.5160.770.60000108.6A136 S137 Y139S134-A136 PolarHBondContact O-N 3.41Å; S134-S137 PolarHBondContact N-O 2.79Å; S134-S137 PolarHBondContact O-N 2.78Å; S134-S137 PolarHBondContact OG-O 2.76Å; S134-Y139 WeakPolarHBondContact OG-CE2 3.11Å
135A66.1Low84.5Confident119 Ų11933.7 Ų33.798%0.98321%0.21SC*.THydrogen-bonded Turntrans-48.5-17.6-170.500000117.2
136A66Low84.3Confident96 Ų9636.6 Ų36.679%0.79322%0.224SC*.THydrogen-bonded Turntrans-134.8-0.2176.400000115.2S134S134-A136 PolarHBondContact O-N 3.41Å
137S69.7Low84.1Confident51 Ų5136.7 Ų36.736%0.35722%0.224SC..EExtended strand (participates in β ladder)trans-155.3139.6-171.5-57.60000112.6S134S134-S137 PolarHBondContact N-O 2.79Å; S134-S137 PolarHBondContact O-N 2.78Å; S134-S137 PolarHBondContact OG-O 2.76Å
138V74.9Confident83.9Confident51 Ų5138.6 Ų38.631%0.30923%0.234SC..EExtended strand (participates in β ladder)trans-97.8126.9169.6-175.70000108.3L103 L140L103-V138 HydrophobicContact CD1-CG1 3.66Å; L103-V138 HydrophobicContact CG-CG1 3.95Å; V138-L140 HydrophobicContact CG1-CD1 4.01Å
139Y78.8Confident83.7Confident55 Ų5542.5 Ų42.522%0.21625%0.252CS..EExtended strand (participates in β ladder)trans-109.5141.7174-54.3-91.9000109.4S131 W132 S134 P141 R177S131-Y139 VanDerWaalsContact CA-O 3.26Å; S131-Y139 WeakPolarHBondContact CA-O 3.29Å; S131-Y139 WeakPolarHBondContact CB-O 3.37Å; W132-Y139 PolarHBondContact N-O 2.89Å; W132-Y139 AromaticContact NE1-CD2 3.87Å; W132-Y139 AromaticContact NE1-CG 3.93Å; W132-Y139 PolarHBondContact O-N 3.45Å; W132-Y139 VanDerWaalsContact O-N 3.08Å; S134-Y139 WeakPolarHBondContact OG-CE2 3.11Å; Y139-P141 WeakPolarHBondContact O-CD 3.24Å; Y139-R177 HydrophobicContact CD1-CB 3.98Å; Y139-R177 HydrophobicContact CD1-CG 4.1Å; Y139-R177 HydrophobicContact CE1-CG 4.38Å
140L87.3Confident83.6Confident3 Ų343.6 Ų43.62%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-113.872.3176.1-73.483.1000110.5L103 R129 V138 G142 R177 Y178 C179 T180L103-L140 HydrophobicContact CD1-CD1 3.73Å; L103-L140 HydrophobicContact CD1-CD2 4.04Å; L103-L140 HydrophobicContact CD1-CG 4.17Å; R129-L140 HydrophobicContact CG-CD2 4.13Å; V138-L140 HydrophobicContact CG1-CD1 4.01Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 2.82Å; L140-R177 PolarHBondContact N-O 2.74Å; L140-Y178 HydrophobicContact CB-CD1 3.66Å; L140-Y178 HydrophobicContact CB-CE1 4.28Å; L140-Y178 HydrophobicContact CB-CG 4.49Å; L140-Y178 HydrophobicContact CD1-CD1 3.59Å; L140-Y178 HydrophobicContact CD1-CE1 3.28Å; L140-Y178 HydrophobicContact CD2-CD1 3.66Å; L140-Y178 HydrophobicContact CD2-CE1 3.72Å; L140-Y178 HydrophobicContact CG-CD1 3.78Å; L140-Y178 HydrophobicContact CG-CE1 3.9Å; L140-C179 PolarHBondContact O-N 2.63Å; L140-T180 PolarHBondContact O-N 2.76Å
141P88.6Confident83.6Confident5 Ų543.6 Ų43.63%0.03226%0.256CS..EExtended strand (participates in β ladder)trans-64.6-33.6175.627.8-34000112L130 Y139 C164 T180 F181L130-P141 WeakPolarHBondContact O-CD 3.48Å; Y139-P141 WeakPolarHBondContact O-CD 3.24Å; P141-C164 HydrophobicContact CB-CB 3.84Å; P141-T180 PolarHBondContact O-N 2.94Å; P141-F181 WeakPolarHBondContact O-CB 3.47Å; P141-F181 PolarHBondContact O-N 3.33Å
142G91.8Very high83.7Confident0 Ų048 Ų480%028%0.276CS..EExtended strand (participates in β ladder)trans78.4170.8-160.500000111.4A127 P128 L130 L140 P160 F181A127-G142 WeakPolarHBondContact O-CA 3.43Å; P128-G142 WeakPolarHBondContact O-CA 3.47Å; L130-G142 PolarHBondContact O-N 2.9Å; L130-G142 VanDerWaalsContact O-N 3.12Å; L140-G142 VanDerWaalsContact C-N 3.26Å; L140-G142 PolarHBondContact O-N 2.82Å; G142-P160 WeakPolarHBondContact O-CB 3.45Å; G142-F181 WeakPolarHBondContact CA-O 3.39Å
143G91.7Very high84.2Confident1 Ų151.4 Ų51.41%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-161.8157.1-177.900000113.2C126 A127 F181C126-G143 CarbonylContact C-O 3.4Å; C126-G143 WeakPolarHBondContact CA-O 3Å; A127-G143 PolarHBondContact N-O 2.87Å; A127-G143 PolarHBondContact O-N 2.87Å; A127-G143 VanDerWaalsContact O-N 3.08Å; G143-F181 PolarHBondContact N-O 2.89Å
144C94.8Very high85Confident0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-133.4143.8175.5-61.70000110.2T124 V125 C126 N157T124-C144 HydrophobicContact CG2-CB 3.8Å; V125-C144 CarbonylContact O-C 3.34Å; V125-C144 WeakPolarHBondContact O-CA 3.48Å; C126-C144 HydrophobicContact CB-CB 4.09Å; C126-C144 WeakPolarHBondContact CB-SG 3.41Å; C126-C144 WeakPolarHBondContact SG-CB 3.19Å; C126-C144 CovalentContact SG-SG 2.05Å; C126-C144 PolarHBondContact SG-SG 2.76Å; C144-N157 PolarHBondContact O-N 2.6Å
145F93.9Very high86.1Confident0 Ų052 Ų520%028%0.284CS..EExtended strand (participates in β ladder)trans-118.5130.8-177.5-58.9-89.4000109.6I91 L93 E96 T97 L108 T124 V125 A127 L130 F147 P154 Q155 L156I91-F145 HydrophobicContact CD1-CB 4.32Å; I91-F145 HydrophobicContact CD1-CD1 3.74Å; I91-F145 HydrophobicContact CD1-CD2 4.12Å; I91-F145 HydrophobicContact CD1-CE1 4.03Å; I91-F145 HydrophobicContact CD1-CE2 4.4Å; I91-F145 HydrophobicContact CD1-CG 3.79Å; I91-F145 HydrophobicContact CD1-CZ 4.36Å; L93-F145 HydrophobicContact CD2-CE1 4.22Å; L93-F145 HydrophobicContact CD2-CE2 3.69Å; L93-F145 HydrophobicContact CD2-CZ 3.4Å; L93-F145 VanDerWaalsContact CD2-CZ 3.4Å; E96-F145 HydrophobicContact CB-CE1 4.27Å; T97-F145 HydrophobicContact CG2-CZ 4.36Å; L108-F145 HydrophobicContact CD1-CD2 3.98Å; L108-F145 HydrophobicContact CD1-CE2 4.17Å; T124-F145 CarbonylContact C-O 3.48Å; T124-F145 VanDerWaalsContact CA-O 3.32Å; T124-F145 WeakPolarHBondContact CA-O 3.46Å; V125-F145 PolarHBondContact N-O 3.36Å; V125-F145 PolarHBondContact O-N 3.16Å; A127-F145 HydrophobicContact CB-CE2 4.38Å; L130-F145 HydrophobicContact CD2-CE2 4.32Å; L130-F145 HydrophobicContact CD2-CZ 3.99Å; F145-F147 HydrophobicContact CB-CD2 4.44Å; F145-F147 HydrophobicContact CB-CE2 3.93Å; F145-P154 HydrophobicContact CB-CB 4.32Å; F145-P154 HydrophobicContact CD1-CB 4.45Å; F145-Q155 CarbonylContact C-O 3.56Å; F145-Q155 VanDerWaalsContact CA-O 3.29Å; F145-Q155 WeakPolarHBondContact CA-O 3.38Å; F145-L156 HydrophobicContact CD1-CB 4.12Å; F145-L156 HydrophobicContact CD1-CD1 4.2Å; F145-L156 HydrophobicContact CE1-CB 3.94Å; F145-L156 HydrophobicContact CE1-CD1 3.69Å; F145-L156 HydrophobicContact CE1-CG 4.36Å; F145-L156 HydrophobicContact CE2-CD1 4.46Å; F145-L156 HydrophobicContact CZ-CD1 3.82Å
146E92.5Very high87.3Confident60 Ų6048.6 Ų48.628%0.2825%0.249SC..EExtended strand (participates in β ladder)trans-94.8122.1171.8-168176.7104.100109P122 I123 P154 Q155P122-E146 HydrophobicContact CB-CG 4.12Å; I123-E146 CarbonylContact O-C 3.58Å; I123-E146 WeakPolarHBondContact O-CA 3.19Å; E146-P154 CarbonylContact O-C 3.56Å; E146-P154 WeakPolarHBondContact O-CA 3.27Å; E146-Q155 PolarHBondContact N-O 2.83Å; E146-Q155 PolarHBondContact O-N 2.64Å
147F92.6Very high88.5Confident3 Ų344.6 Ų44.61%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-100.8148174.3-68.9-102.6000109.8L76 I89 I91 P122 I123 V125 F145 P154L76-F147 HydrophobicContact CD2-CE2 4.48Å; L76-F147 HydrophobicContact CD2-CZ 4.42Å; I89-F147 HydrophobicContact CG2-CD1 4.41Å; I89-F147 HydrophobicContact CG2-CE1 3.9Å; I91-F147 HydrophobicContact CB-CZ 4.41Å; I91-F147 HydrophobicContact CD1-CZ 3.97Å; P122-F147 CarbonylContact C-O 3.45Å; P122-F147 WeakPolarHBondContact CA-O 2.97Å; P122-F147 WeakPolarHBondContact CB-O 3.39Å; I123-F147 HydrophobicContact CG1-CB 3.84Å; I123-F147 HydrophobicContact CG1-CD2 4.39Å; I123-F147 HydrophobicContact CG1-CG 4.44Å; I123-F147 PolarHBondContact N-O 3.19Å; I123-F147 PolarHBondContact O-N 3.15Å; V125-F147 HydrophobicContact CB-CD2 4.43Å; V125-F147 HydrophobicContact CB-CE2 4.02Å; V125-F147 HydrophobicContact CG2-CD2 4.1Å; V125-F147 HydrophobicContact CG2-CE2 4.05Å; F145-F147 HydrophobicContact CB-CD2 4.44Å; F145-F147 HydrophobicContact CB-CE2 3.93Å; F147-P154 HydrophobicContact CD1-CB 4.07Å; F147-P154 HydrophobicContact CE1-CB 3.7Å; F147-P154 HydrophobicContact CE1-CG 4.13Å; F147-P154 HydrophobicContact CE2-CB 4.21Å; F147-P154 HydrophobicContact CG-CB 4.5Å; F147-P154 HydrophobicContact CZ-CB 3.78Å
148N91.3Very high89.4Confident39 Ų3944.8 Ų44.821%0.20922%0.215CC..  trans-74.6179.1175.472.819.4000112.3R150 L151 E152 E153N148-R150 PolarHBondContact O-N 2.95Å; N148-R150 WeakPolarHBondContact OD1-CA 3.23Å; N148-R150 WeakPolarHBondContact OD1-CB 3.37Å; N148-R150 PolarHBondContact OD1-N 3.25Å; N148-L151 PolarHBondContact O-N 3.15Å; N148-L151 PolarHBondContact OD1-N 3.01Å; N148-E152 PolarHBondContact N-O 2.66Å; N148-E152 PolarHBondContact OD1-N 3.04Å; N148-E152 PolarHBondContact OD1-O 2.87Å; N148-E153 PolarHBondContact ND2-OE2 3.11Å
149E88.7Confident90.1Very high89 Ų8942.4 Ų42.442%0.41620%0.2SC..THydrogen-bonded Turntrans-62.4-15.8-177.7-58.4-171.8173.300114.7Y54Y54-E149 VanDerWaalsContact OH-CA 3.27Å; Y54-E149 WeakPolarHBondContact OH-CA 3.48Å; Y54-E149 PolarHBondContact OH-O 3.29Å
150R90.6Very high90.6Very high138 Ų13839.8 Ų39.852%0.52119%0.19SC..THydrogen-bonded Turntrans-91.80.5175.9-55.2-170.3173.3167.80.5112.9F57 N148 E152F57-R150 HydrophobicContact CB-CG 4.47Å; F57-R150 HydrophobicContact CD1-CB 4.12Å; F57-R150 HydrophobicContact CD1-CG 3.62Å; F57-R150 HydrophobicContact CE1-CB 4.46Å; F57-R150 HydrophobicContact CE1-CG 4.04Å; F57-R150 HydrophobicContact CG-CG 4.11Å; N148-R150 PolarHBondContact O-N 2.95Å; N148-R150 WeakPolarHBondContact OD1-CA 3.23Å; N148-R150 WeakPolarHBondContact OD1-CB 3.37Å; N148-R150 PolarHBondContact OD1-N 3.25Å; R150-E152 HydrophobicContact CB-CB 4.27Å; R150-E152 HydrophobicContact CB-CG 3.94Å; R150-E152 WeakPolarHBondContact CD-OE2 3.46Å; R150-E152 PolarHBondContact O-N 3.09Å
151L90.6Very high90.4Very high12 Ų1241 Ų416%0.06320%0.198CC..SBendtrans61.731.7-170.3-50.6172.4000111.8Y54 V64 W78 I89 I123 N148Y54-L151 HydrophobicContact CD1-CD1 4.12Å; Y54-L151 HydrophobicContact CD1-CD2 4.26Å; Y54-L151 HydrophobicContact CD1-CG 4.46Å; Y54-L151 HydrophobicContact CE1-CD1 3.88Å; Y54-L151 HydrophobicContact CE1-CD2 3.67Å; Y54-L151 HydrophobicContact CE1-CG 3.78Å; Y54-L151 HydrophobicContact CE2-CD2 4.23Å; V64-L151 HydrophobicContact CG2-CD1 4.16Å; V64-L151 HydrophobicContact CG2-CD2 4.42Å; W78-L151 HydrophobicContact CB-CD1 4.11Å; W78-L151 HydrophobicContact CD2-CD1 4.23Å; W78-L151 HydrophobicContact CE3-CD1 4.28Å; W78-L151 HydrophobicContact CG-CD1 4.19Å; I89-L151 HydrophobicContact CD1-CB 4.05Å; I89-L151 HydrophobicContact CD1-CD1 3.79Å; I89-L151 HydrophobicContact CD1-CG 4.4Å; I89-L151 HydrophobicContact CG1-CB 4.44Å; I89-L151 WeakPolarHBondContact CG2-O 3.48Å; I123-L151 HydrophobicContact CD1-CD2 3.46Å; I123-L151 VanDerWaalsContact CD1-CD2 3.46Å; I123-L151 HydrophobicContact CG1-CD2 3.9Å; N148-L151 PolarHBondContact O-N 3.15Å; N148-L151 PolarHBondContact OD1-N 3.01Å
152E90Very high90.2Very high101 Ų10142.2 Ų42.247%0.47221%0.209SC..  trans-116.4176178.8-64.1172.7166.600110.1N148 R150N148-E152 PolarHBondContact N-O 2.66Å; N148-E152 PolarHBondContact OD1-N 3.04Å; N148-E152 PolarHBondContact OD1-O 2.87Å; R150-E152 HydrophobicContact CB-CB 4.27Å; R150-E152 HydrophobicContact CB-CG 3.94Å; R150-E152 WeakPolarHBondContact CD-OE2 3.46Å; R150-E152 PolarHBondContact O-N 3.09Å
153E87.4Confident89.9Confident132 Ų13242.7 Ų42.762%0.61721%0.212SC*.  trans52.958.5172.7-58.3177158.700114.8N148 Q155N148-E153 PolarHBondContact ND2-OE2 3.11Å; E153-Q155 PolarHBondContact O-N 2.9Å
154P90.7Very high89.5Confident13 Ų1342.8 Ų42.88%0.08421%0.212CC..  trans-61.7123.6179.225-33.8000112.4I91 E96 F145 E146 F147I91-P154 HydrophobicContact CB-CG 4.38Å; I91-P154 HydrophobicContact CD1-CB 3.62Å; I91-P154 HydrophobicContact CD1-CG 3.91Å; I91-P154 HydrophobicContact CG1-CB 4.17Å; I91-P154 HydrophobicContact CG1-CG 3.86Å; E96-P154 HydrophobicContact CG-CG 3.9Å; F145-P154 HydrophobicContact CB-CB 4.32Å; F145-P154 HydrophobicContact CD1-CB 4.45Å; E146-P154 CarbonylContact O-C 3.56Å; E146-P154 WeakPolarHBondContact O-CA 3.27Å; F147-P154 HydrophobicContact CD1-CB 4.07Å; F147-P154 HydrophobicContact CE1-CB 3.7Å; F147-P154 HydrophobicContact CE1-CG 4.13Å; F147-P154 HydrophobicContact CE2-CB 4.21Å; F147-P154 HydrophobicContact CG-CB 4.5Å; F147-P154 HydrophobicContact CZ-CB 3.78Å
155Q90Very high88.6Confident123 Ų12345.8 Ų45.858%0.57523%0.228SC*.EExtended strand (participates in β ladder)trans-108.4120.4176.4-62.9-17523.800111.1F145 E146 E153 N157F145-Q155 CarbonylContact C-O 3.56Å; F145-Q155 VanDerWaalsContact CA-O 3.29Å; F145-Q155 WeakPolarHBondContact CA-O 3.38Å; E146-Q155 PolarHBondContact N-O 2.83Å; E146-Q155 PolarHBondContact O-N 2.64Å; E153-Q155 PolarHBondContact O-N 2.9Å; Q155-N157 PolarHBondContact O-N 2.96Å
156L91.2Very high87.5Confident49 Ų4951.4 Ų51.426%0.25726%0.258SS..EExtended strand (participates in β ladder)trans-69127.2176.717867.4000111.2T97 L130 F145 P158T97-L156 HydrophobicContact CG2-CD2 3.97Å; L130-L156 HydrophobicContact CD2-CD1 4.19Å; F145-L156 HydrophobicContact CD1-CB 4.12Å; F145-L156 HydrophobicContact CD1-CD1 4.2Å; F145-L156 HydrophobicContact CE1-CB 3.94Å; F145-L156 HydrophobicContact CE1-CD1 3.69Å; F145-L156 HydrophobicContact CE1-CG 4.36Å; F145-L156 HydrophobicContact CE2-CD1 4.46Å; F145-L156 HydrophobicContact CZ-CD1 3.82Å; L156-P158 WeakPolarHBondContact O-CD 3.31Å
157N91.1Very high86.3Confident12 Ų1250 Ų506%0.06425%0.253CS..  trans-79117.9167-171-28.3000109.9C144 Q155 A159 P160C144-N157 PolarHBondContact O-N 2.6Å; Q155-N157 PolarHBondContact O-N 2.96Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 2.97Å; N157-A159 VanDerWaalsContact OD1-CB 3.24Å; N157-A159 WeakPolarHBondContact OD1-CB 3.1Å; N157-A159 PolarHBondContact OD1-N 2.76Å; N157-P160 WeakPolarHBondContact O-CD 3.19Å
158P88.5Confident84.8Confident55 Ų5558.8 Ų58.836%0.35729%0.294SS..  trans-78.1-8.8-177.832.5-36.7000114.2L156 S161 A162 F217L156-P158 WeakPolarHBondContact O-CD 3.31Å; P158-S161 PolarHBondContact O-N 2.99Å; P158-A162 PolarHBondContact O-N 2.84Å; P158-F217 VanDerWaalsContact CD-CD1 3.41Å; P158-F217 VanDerWaalsContact CD-CE1 3.43Å; P158-F217 HydrophobicContact CG-CB 4.17Å; P158-F217 HydrophobicContact CG-CD1 3.8Å; P158-F217 HydrophobicContact CG-CD2 4.01Å; P158-F217 HydrophobicContact CG-CE1 4.14Å; P158-F217 HydrophobicContact CG-CE2 4.34Å; P158-F217 HydrophobicContact CG-CG 3.71Å; P158-F217 HydrophobicContact CG-CZ 4.39Å
159A89.1Confident83.1Confident1 Ų159 Ų591%0.00831%0.306CS..Hα-helixtrans-62-43-173.800000114.8N157 S161 A162 I163 V212 R219N157-A159 VanDerWaalsContact C-N 3.31Å; N157-A159 PolarHBondContact O-N 2.97Å; N157-A159 VanDerWaalsContact OD1-CB 3.24Å; N157-A159 WeakPolarHBondContact OD1-CB 3.1Å; N157-A159 PolarHBondContact OD1-N 2.76Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.05Å; A159-A162 PolarHBondContact O-N 2.79Å; A159-A162 VanDerWaalsContact O-N 3.12Å; A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.29Å; A159-I163 PolarHBondContact O-N 3.41Å; A159-V212 HydrophobicContact CB-CB 4.19Å; A159-V212 HydrophobicContact CB-CG1 3.46Å; A159-V212 VanDerWaalsContact CB-CG1 3.46Å; A159-V212 HydrophobicContact CB-CG2 3.6Å; A159-R219 HydrophobicContact CB-CB 4.39Å
160P89.3Confident81.4Confident0 Ų056.2 Ų56.20%030%0.296CS..Hα-helixtrans-47.1-50.6172.7-35.140.7000114G142 N157 I163 C164 F181 M197G142-P160 WeakPolarHBondContact O-CB 3.45Å; N157-P160 WeakPolarHBondContact O-CD 3.19Å; P160-I163 PolarHBondContact O-N 3.18Å; P160-C164 WeakPolarHBondContact O-CB 3.49Å; P160-C164 PolarHBondContact O-N 2.75Å; P160-F181 HydrophobicContact CB-CB 3.8Å; P160-F181 HydrophobicContact CB-CD2 4.34Å; P160-F181 HydrophobicContact CB-CG 4.32Å; P160-F181 HydrophobicContact CG-CB 4.08Å; P160-M197 HydrophobicContact CG-CE 4.42Å; P160-M197 HydrophobicContact CG-SD 3.93Å
161S83.5Confident79.6Confident27 Ų2756 Ų5619%0.18931%0.306CS..Hα-helixtrans-64.2-44.2178.4-58.80000111.7P158 A159 I163 C164 L165P158-S161 PolarHBondContact O-N 2.99Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.05Å; S161-I163 VanDerWaalsContact C-N 3.34Å; S161-I163 PolarHBondContact O-N 2.84Å; S161-C164 PolarHBondContact O-N 3.25Å; S161-L165 WeakPolarHBondContact O-CB 3.49Å; S161-L165 VanDerWaalsContact O-CG 3.28Å; S161-L165 WeakPolarHBondContact O-CG 3.29Å; S161-L165 PolarHBondContact O-N 2.99Å
162A84.9Confident77.7Confident31 Ų3163.9 Ų63.926%0.25634%0.339SS..Hα-helixtrans-64.5-35.7179.900000113.2P158 A159 N166P158-A162 PolarHBondContact O-N 2.84Å; A159-A162 PolarHBondContact O-N 2.79Å; A159-A162 VanDerWaalsContact O-N 3.12Å; A162-N166 PolarHBondContact O-N 2.83Å; A162-N166 PolarHBondContact O-ND2 2.88Å
163I86.3Confident75.7Confident11 Ų1161.7 Ų61.76%0.05634%0.335CS..Hα-helixtrans-71.3-46.8176.3-64.5162.9000109.9A159 P160 S161 L165 N166 F181 F202 A210 R219 I221A159-I163 VanDerWaalsContact O-CG1 3.27Å; A159-I163 WeakPolarHBondContact O-CG1 3.29Å; A159-I163 PolarHBondContact O-N 3.41Å; P160-I163 PolarHBondContact O-N 3.18Å; S161-I163 VanDerWaalsContact C-N 3.34Å; S161-I163 PolarHBondContact O-N 2.84Å; I163-L165 VanDerWaalsContact C-N 3.26Å; I163-L165 PolarHBondContact O-N 2.87Å; I163-N166 PolarHBondContact O-N 3.43Å; I163-F181 HydrophobicContact CB-CE2 3.91Å; I163-F181 HydrophobicContact CB-CZ 4.21Å; I163-F181 HydrophobicContact CD1-CE2 4.41Å; I163-F181 HydrophobicContact CD1-CZ 4.12Å; I163-F181 HydrophobicContact CG2-CE2 3.57Å; I163-F181 HydrophobicContact CG2-CZ 3.6Å; I163-F202 HydrophobicContact CG2-CE2 4.21Å; I163-A210 HydrophobicContact CD1-CB 3.8Å; I163-R219 HydrophobicContact CD1-CB 4.11Å; I163-R219 HydrophobicContact CD1-CG 4.38Å; I163-R219 HydrophobicContact CG1-CB 4.23Å; I163-R219 HydrophobicContact CG1-CG 3.93Å; I163-I221 HydrophobicContact CD1-CG2 4.13Å; I163-I221 HydrophobicContact CG1-CG2 4.19Å; I163-I221 HydrophobicContact CG2-CG2 3.54Å
164C82.4Confident73.7Confident2 Ų264 Ų641%0.01435%0.35CS..Hα-helixtrans-66.5-28-177-158.30000113.3P141 P160 S161 R177 C179P141-C164 HydrophobicContact CB-CB 3.84Å; P160-C164 WeakPolarHBondContact O-CB 3.49Å; P160-C164 PolarHBondContact O-N 2.75Å; S161-C164 PolarHBondContact O-N 3.25Å; C164-R177 PolarHBondContact O-NH1 3Å; C164-R177 VanDerWaalsContact O-NH1 3.17Å; C164-C179 WeakPolarHBondContact CA-SG 3.31Å; C164-C179 HydrophobicContact CB-CB 3.79Å; C164-C179 WeakPolarHBondContact CB-SG 3.37Å; C164-C179 WeakPolarHBondContact SG-CB 3.48Å; C164-C179 CovalentContact SG-SG 2.04Å; C164-C179 PolarHBondContact SG-SG 3.02Å
165L76.8Confident71.6Confident64 Ų6466 Ų6634%0.33536%0.36SS..Hα-helixtrans-78.9-30.1177.3-73.2176000114W132 S161 I163 R177W132-L165 HydrophobicContact CH2-CD1 3.65Å; W132-L165 HydrophobicContact CZ2-CD1 3.48Å; W132-L165 VanDerWaalsContact CZ2-CD1 3.48Å; W132-L165 HydrophobicContact CZ2-CD2 4.11Å; W132-L165 HydrophobicContact CZ2-CG 3.97Å; S161-L165 WeakPolarHBondContact O-CB 3.49Å; S161-L165 VanDerWaalsContact O-CG 3.28Å; S161-L165 WeakPolarHBondContact O-CG 3.29Å; S161-L165 PolarHBondContact O-N 2.99Å; I163-L165 VanDerWaalsContact C-N 3.26Å; I163-L165 PolarHBondContact O-N 2.87Å; L165-R177 VanDerWaalsContact C-NH1 3.34Å; L165-R177 PolarHBondContact O-NH1 2.87Å
166N70.9Confident69.8Low117 Ų11766.2 Ų66.263%0.62636%0.364SS*.  trans-103.446.9-170.6-69.4-46.9000113.7A162 I163A162-N166 PolarHBondContact O-N 2.83Å; A162-N166 PolarHBondContact O-ND2 2.88Å; I163-N166 PolarHBondContact O-N 3.43Å
167V66.2Low68.5Low31 Ų3165.5 Ų65.519%0.18836%0.358CS..  trans-85.4124175.8-175.10000110.2S170 F202 Y203V167-S170 VanDerWaalsContact O-CB 3.29Å; V167-S170 WeakPolarHBondContact O-CB 3.48Å; V167-S170 PolarHBondContact O-N 2.87Å; V167-S170 PolarHBondContact O-OG 2.97Å; V167-F202 HydrophobicContact CG1-CZ 4.46Å; V167-F202 HydrophobicContact CG2-CE2 3.73Å; V167-F202 HydrophobicContact CG2-CZ 3.83Å; V167-Y203 HydrophobicContact CG1-CD2 4.04Å; V167-Y203 HydrophobicContact CG1-CE2 4.46Å
168E60.9Low67.9Low188 Ų18870 Ų7088%0.87938%0.375SS*.THydrogen-bonded Turntrans-61.7133.4177.1-70.1-176.5167.800111.8
169G56.5Low67.9Low44 Ų4467.6 Ų67.645%0.45436%0.359SS..THydrogen-bonded Turntrans82.54.3179.900000115.9D171 K172G169-D171 VanDerWaalsContact C-OD1 3.22Å; G169-D171 WeakPolarHBondContact CA-OD1 3.45Å; G169-D171 PolarHBondContact O-N 3.43Å; G169-K172 PolarHBondContact O-N 3.01Å
170S53.1Low68Low29 Ų2968.1 Ų68.120%0.20336%0.363CS..G310 helixtrans-71-10.9-179.161.20000115V167 K172 R177V167-S170 VanDerWaalsContact O-CB 3.29Å; V167-S170 WeakPolarHBondContact O-CB 3.48Å; V167-S170 PolarHBondContact O-N 2.87Å; V167-S170 PolarHBondContact O-OG 2.97Å; S170-K172 PolarHBondContact O-N 3.22Å; S170-R177 PolarHBondContact OG-NH2 3.25Å
171D53.3Low68.3Low135 Ų13568.1 Ų68.172%0.72236%0.363SS*.G310 helixtrans-67.6-12.8170.259.2-45.9000113.3G169G169-D171 VanDerWaalsContact C-OD1 3.22Å; G169-D171 WeakPolarHBondContact CA-OD1 3.45Å; G169-D171 PolarHBondContact O-N 3.43Å
172K50.6Low68.8Low176 Ų17666.9 Ų66.977%0.76535%0.354SS*.G310 helixtrans-104.7-3.4-170.1-61.1-179.1-176.41750116G169 S170G169-K172 PolarHBondContact O-N 3.01Å; S170-K172 PolarHBondContact O-N 3.22Å
173S46.4Very low69.4Low56 Ų5666 Ų6639%0.39235%0.346SS..SBendtrans-134.7148.7-178.963.10000113.3D175S173-D175 PolarHBondContact O-N 2.96Å
174I45.5Very low69.9Low179 Ų17965.9 Ų65.992%0.91835%0.347SS*.  trans-67.894.7170.3-55169.9000107.2
175D46.8Very low70.6Confident56 Ų5666.4 Ų66.430%0.29935%0.35SS..  trans-101.3105.8-163.8-167.62.2000111.8S173 R177S173-D175 PolarHBondContact O-N 2.96Å; D175-R177 HydrophobicContact CB-CG 4.23Å; D175-R177 PolarHBondContact O-N 3.39Å; D175-R177 WeakPolarHBondContact OD1-CG 3.41Å; D175-R177 WeakPolarHBondContact OD2-CD 3.28Å; D175-R177 WeakPolarHBondContact OD2-CG 3.37Å; D175-R177 IonicContact OD2-CZ 3.45Å; D175-R177 IonicContact OD2-NE 3.2Å; D175-R177 PolarHBondContact OD2-NE 3.49Å; D175-R177 IonicContact OD2-NH2 3.77Å
176L53.5Low71.5Confident128 Ų12864.6 Ų64.667%0.6734%0.341SS*.  trans-87.683.2164.4-66.4167.5000107.3Y178L176-Y178 HydrophobicContact CB-CE2 3.83Å; L176-Y178 WeakPolarHBondContact O-CD2 3.21Å; L176-Y178 VanDerWaalsContact O-CE2 3.3Å; L176-Y178 WeakPolarHBondContact O-CE2 3.21Å; L176-Y178 PolarHBondContact O-N 2.75Å
177R62.4Low72.6Confident34 Ų3459.6 Ų59.613%0.12831%0.314CS..  trans-69114.8-171.3-62.4-176.8-171.1-171.75.8112.7Y139 L140 C164 L165 S170 D175Y139-R177 HydrophobicContact CD1-CB 3.98Å; Y139-R177 HydrophobicContact CD1-CG 4.1Å; Y139-R177 HydrophobicContact CE1-CG 4.38Å; L140-R177 PolarHBondContact N-O 2.74Å; C164-R177 PolarHBondContact O-NH1 3Å; C164-R177 VanDerWaalsContact O-NH1 3.17Å; L165-R177 VanDerWaalsContact C-NH1 3.34Å; L165-R177 PolarHBondContact O-NH1 2.87Å; S170-R177 PolarHBondContact OG-NH2 3.25Å; D175-R177 HydrophobicContact CB-CG 4.23Å; D175-R177 PolarHBondContact O-N 3.39Å; D175-R177 WeakPolarHBondContact OD1-CG 3.41Å; D175-R177 WeakPolarHBondContact OD2-CD 3.28Å; D175-R177 WeakPolarHBondContact OD2-CG 3.37Å; D175-R177 IonicContact OD2-CZ 3.45Å; D175-R177 IonicContact OD2-NE 3.2Å; D175-R177 PolarHBondContact OD2-NE 3.49Å; D175-R177 IonicContact OD2-NH2 3.77Å
178Y78.7Confident73.8Confident105 Ų10559 Ų5941%0.41231%0.309SS..EExtended strand (participates in β ladder)trans-116.7105.1166.1-56.8-83.8000108.9L140 L176 H201 F202L140-Y178 HydrophobicContact CB-CD1 3.66Å; L140-Y178 HydrophobicContact CB-CE1 4.28Å; L140-Y178 HydrophobicContact CB-CG 4.49Å; L140-Y178 HydrophobicContact CD1-CD1 3.59Å; L140-Y178 HydrophobicContact CD1-CE1 3.28Å; L140-Y178 HydrophobicContact CD2-CD1 3.66Å; L140-Y178 HydrophobicContact CD2-CE1 3.72Å; L140-Y178 HydrophobicContact CG-CD1 3.78Å; L140-Y178 HydrophobicContact CG-CE1 3.9Å; L176-Y178 HydrophobicContact CB-CE2 3.83Å; L176-Y178 WeakPolarHBondContact O-CD2 3.21Å; L176-Y178 VanDerWaalsContact O-CE2 3.3Å; L176-Y178 WeakPolarHBondContact O-CE2 3.21Å; L176-Y178 PolarHBondContact O-N 2.75Å; Y178-H201 CarbonylContact O-C 3.29Å; Y178-H201 VanDerWaalsContact O-CB 3.29Å; Y178-H201 WeakPolarHBondContact O-CB 3.35Å; Y178-F202 PolarHBondContact O-N 2.77Å
179C88.3Confident75.1Confident5 Ų552.5 Ų52.53%0.03428%0.282CS..EExtended strand (participates in β ladder)trans-95.5-35.9173-62.40000111.4L140 C164 F181 G199 F202L140-C179 PolarHBondContact O-N 2.63Å; C164-C179 WeakPolarHBondContact CA-SG 3.31Å; C164-C179 HydrophobicContact CB-CB 3.79Å; C164-C179 WeakPolarHBondContact CB-SG 3.37Å; C164-C179 WeakPolarHBondContact SG-CB 3.48Å; C164-C179 CovalentContact SG-SG 2.04Å; C164-C179 PolarHBondContact SG-SG 3.02Å; C179-F181 VanDerWaalsContact C-N 3.27Å; C179-F181 HydrophobicContact CB-CD2 3.74Å; C179-F181 HydrophobicContact CB-CE2 3.91Å; C179-F181 PolarHBondContact O-N 3.22Å; C179-G199 CarbonylContact O-C 3.55Å; C179-G199 VanDerWaalsContact O-C 3.25Å; C179-G199 WeakPolarHBondContact O-CA 3.45Å; C179-F202 HydrophobicContact CB-CD2 4.29Å
180T92.5Very high76.5Confident13 Ų1355.7 Ų55.78%0.0829%0.289CS..EExtended strand (participates in β ladder)trans55.137.4177.460.60000114.5P128 L140 P141 A183 H201P128-T180 VanDerWaalsContact O-CA 3.29Å; P128-T180 WeakPolarHBondContact O-CA 3.3Å; L140-T180 PolarHBondContact O-N 2.76Å; P141-T180 PolarHBondContact O-N 2.94Å; T180-A183 PolarHBondContact O-N 3.22Å; T180-H201 HydrophobicContact CG2-CB 4.17Å; T180-H201 PolarHBondContact OG1-N 3.38Å; T180-H201 PolarHBondContact OG1-ND1 2.8Å
181F94.6Very high78.1Confident0 Ų056.8 Ų56.80%029%0.289CS..EExtended strand (participates in β ladder)trans-60.5142.1176.2-83.5-71.9000111.4P128 P141 G142 G143 P160 I163 C179 M197 G198 F202 V208 A210P128-F181 WeakPolarHBondContact CA-O 3.26Å; P141-F181 WeakPolarHBondContact O-CB 3.47Å; P141-F181 PolarHBondContact O-N 3.33Å; G142-F181 WeakPolarHBondContact CA-O 3.39Å; G143-F181 PolarHBondContact N-O 2.89Å; P160-F181 HydrophobicContact CB-CB 3.8Å; P160-F181 HydrophobicContact CB-CD2 4.34Å; P160-F181 HydrophobicContact CB-CG 4.32Å; P160-F181 HydrophobicContact CG-CB 4.08Å; I163-F181 HydrophobicContact CB-CE2 3.91Å; I163-F181 HydrophobicContact CB-CZ 4.21Å; I163-F181 HydrophobicContact CD1-CE2 4.41Å; I163-F181 HydrophobicContact CD1-CZ 4.12Å; I163-F181 HydrophobicContact CG2-CE2 3.57Å; I163-F181 HydrophobicContact CG2-CZ 3.6Å; C179-F181 VanDerWaalsContact C-N 3.27Å; C179-F181 HydrophobicContact CB-CD2 3.74Å; C179-F181 HydrophobicContact CB-CE2 3.91Å; C179-F181 PolarHBondContact O-N 3.22Å; F181-M197 HydrophobicContact CB-SD 4.36Å; F181-M197 HydrophobicContact CD1-CB 4.45Å; F181-M197 HydrophobicContact CD1-CG 3.76Å; F181-M197 HydrophobicContact CD1-SD 3.83Å; F181-M197 HydrophobicContact CE1-CG 4.21Å; F181-M197 HydrophobicContact CE1-SD 4.46Å; F181-M197 HydrophobicContact CG-SD 4.28Å; F181-G198 WeakPolarHBondContact CA-O 3.32Å; F181-F202 HydrophobicContact CE2-CD2 4.36Å; F181-V208 HydrophobicContact CE1-CG1 3.69Å; F181-V208 HydrophobicContact CE2-CG1 4.29Å; F181-V208 HydrophobicContact CZ-CG1 3.35Å; F181-A210 HydrophobicContact CE1-CB 3.72Å; F181-A210 HydrophobicContact CZ-CB 4.29Å
182G95.3Very high79.7Confident0 Ų052.8 Ų52.80%027%0.27CS..THydrogen-bonded Turntrans88.713-17400000113.3S111 C126 G198S111-G182 PolarHBondContact OG-O 3.21Å; C126-G182 VanDerWaalsContact CB-O 3.28Å; C126-G182 WeakPolarHBondContact CB-O 3.34Å; G182-G198 PolarHBondContact N-O 3.41Å; G182-G198 VanDerWaalsContact N-O 3.11Å
183A96.9Very high81.6Confident12 Ų1249.8 Ų49.810%0.09926%0.257CS..SBendtrans-63.6-35.7165.100000110.9Y110 P128 T180 G198 P200Y110-A183 WeakPolarHBondContact CD1-O 3.24Å; Y110-A183 HydrophobicContact CE1-CB 4.3Å; Y110-A183 WeakPolarHBondContact CE1-O 3.48Å; P128-A183 HydrophobicContact CB-CB 4.38Å; T180-A183 PolarHBondContact O-N 3.22Å; A183-G198 PolarHBondContact N-O 3.42Å; A183-P200 VanDerWaalsContact CB-CD 3.45Å; A183-P200 HydrophobicContact CB-CG 3.64Å
184S97.6Very high83.7Confident9 Ų947.5 Ų47.56%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-136.9148.6169.3690000109.8M197 G198 G234 V237S184-M197 WeakPolarHBondContact O-CA 3.41Å; S184-G198 PolarHBondContact O-N 3.11Å; S184-G234 PolarHBondContact OG-O 3.41Å; S184-V237 WeakPolarHBondContact OG-CG1 3.38Å
185V96.7Very high86Confident13 Ų1339 Ų398%0.07920%0.197CC..EExtended strand (participates in β ladder)trans-150.7141.5-176.569.60000111.3S111 T124 L195 F196S111-V185 WeakPolarHBondContact OG-CG1 3.21Å; T124-V185 HydrophobicContact CG2-CG2 4.27Å; V185-L195 HydrophobicContact CG2-CD1 3.29Å; V185-L195 HydrophobicContact CG2-CD2 4.46Å; V185-L195 HydrophobicContact CG2-CG 4Å; V185-F196 CarbonylContact C-O 3.42Å; V185-F196 VanDerWaalsContact CA-O 3.28Å; V185-F196 WeakPolarHBondContact CA-O 3.3Å
186N95.3Very high88.3Confident27 Ų2736.3 Ų36.314%0.14418%0.182CC..EExtended strand (participates in β ladder)trans-151.8147.9177.1-170.9-78.1000111.1S113 F196 V237 D238 T239S113-N186 WeakPolarHBondContact OG-CA 3.22Å; N186-F196 PolarHBondContact N-O 2.82Å; N186-F196 PolarHBondContact O-N 2.84Å; N186-V237 HydrophobicContact CB-CG1 3.87Å; N186-V237 HydrophobicContact CB-CG2 4.32Å; N186-D238 PolarHBondContact ND2-OD1 3.22Å; N186-T239 HydrophobicContact CB-CG2 4.49Å; N186-T239 WeakPolarHBondContact OD1-CB 3.33Å; N186-T239 WeakPolarHBondContact OD1-CG2 3.31Å; N186-T239 PolarHBondContact OD1-OG1 3.09Å
187Q92.8Very high90.4Very high12 Ų1230.2 Ų30.26%0.05615%0.15CC..EExtended strand (participates in β ladder)trans-133.7138175.1-70176.4-92.500108.9S113 A115 T124 P192 L195S113-Q187 PolarHBondContact OG-N 3.14Å; A115-Q187 HydrophobicContact CB-CB 3.86Å; T124-Q187 PolarHBondContact OG1-OE1 3.1Å; Q187-P192 PolarHBondContact NE2-O 2.92Å; Q187-L195 HydrophobicContact CG-CB 4.48Å; Q187-L195 HydrophobicContact CG-CD1 3.43Å; Q187-L195 VanDerWaalsContact CG-CD1 3.43Å
188H91.8Very high92Very high19 Ų1928.6 Ų28.69%0.08814%0.144CC..  trans-96.7138.7179.1-163.6-94.7000111.6N190 R191 T239 D241 L255H188-N190 VanDerWaalsContact C-N 3.27Å; H188-N190 PolarHBondContact ND1-N 2.81Å; H188-N190 PolarHBondContact O-N 2.83Å; H188-R191 CarbonylContact O-C 3.59Å; H188-R191 PolarHBondContact O-N 3.36Å; H188-T239 WeakPolarHBondContact CB-OG1 3.47Å; H188-T239 PolarHBondContact CD2-OG1 2.75Å; H188-D241 IonicContact CE1-OD1 3.25Å; H188-D241 IonicContact CE1-OD2 3.05Å; H188-D241 IonicContact NE2-OD1 3.98Å; H188-L255 HydrophobicContact CB-CD1 3.59Å; H188-L255 HydrophobicContact CB-CD2 3.92Å; H188-L255 HydrophobicContact CB-CG 4.45Å
189P88.2Confident92.7Very high50 Ų5023.6 Ų23.633%0.32513%0.125SC..THydrogen-bonded Turntrans-57.3-33.9-179.9-25.633.1000115.8A115 N117 R191 P192A115-P189 WeakPolarHBondContact O-CA 3.38Å; N117-P189 WeakPolarHBondContact OD1-CG 3.36Å; P189-R191 VanDerWaalsContact C-N 3.26Å; P189-R191 PolarHBondContact O-N 2.97Å; P189-P192 WeakPolarHBondContact O-CD 3.2Å
190N86.9Confident93Very high111 Ų11123.8 Ų23.859%0.59413%0.126SC*.THydrogen-bonded Turntrans-77.5-11.3177.8-67.5-24000113.8H188 D241H188-N190 VanDerWaalsContact C-N 3.27Å; H188-N190 PolarHBondContact ND1-N 2.81Å; H188-N190 PolarHBondContact O-N 2.83Å; N190-D241 PolarHBondContact ND2-OD2 3.23Å
191R87.3Confident92.8Very high53 Ų5326.6 Ų26.620%0.214%0.138CC..SBendtrans-139.766.7175-63.1-163.6-172.6165.99110.5H188 P189 K193 Q194 L255 S288H188-R191 CarbonylContact O-C 3.59Å; H188-R191 PolarHBondContact O-N 3.36Å; P189-R191 VanDerWaalsContact C-N 3.26Å; P189-R191 PolarHBondContact O-N 2.97Å; R191-K193 PolarHBondContact O-N 3.46Å; R191-K193 VanDerWaalsContact O-N 3.09Å; R191-Q194 HydrophobicContact CB-CB 3.99Å; R191-Q194 VanDerWaalsContact NH1-OE1 3.14Å; R191-Q194 WeakPolarHBondContact O-CB 3.29Å; R191-Q194 PolarHBondContact O-N 3.14Å; R191-L255 HydrophobicContact CB-CD2 4.11Å; R191-L255 HydrophobicContact CG-CD2 4.17Å; R191-S288 VanDerWaalsContact CZ-O 3.31Å; R191-S288 PolarHBondContact NH1-O 2.89Å; R191-S288 PolarHBondContact NH1-OG 2.9Å; R191-S288 PolarHBondContact NH2-O 2.85Å
192P86.8Confident92.5Very high50 Ų5027.6 Ų27.633%0.32514%0.142SC..THydrogen-bonded Turntrans-65-25.3-16926.3-35.2000113.5A115 Q187 P189 Q194A115-P192 VanDerWaalsContact CB-CA 3.47Å; A115-P192 HydrophobicContact CB-CB 3.41Å; A115-P192 VanDerWaalsContact CB-CB 3.41Å; Q187-P192 PolarHBondContact NE2-O 2.92Å; P189-P192 WeakPolarHBondContact O-CD 3.2Å; P192-Q194 VanDerWaalsContact C-N 3.26Å; P192-Q194 PolarHBondContact O-N 3.25Å
193K88.6Confident91.8Very high114 Ų11433.4 Ų33.450%0.49617%0.165SC..THydrogen-bonded Turntrans-83.75.2176.9-60.5-179.3174.3-171.70113.9R191 N213 T214 N215R191-K193 PolarHBondContact O-N 3.46Å; R191-K193 VanDerWaalsContact O-N 3.09Å; K193-N213 CarbonylContact O-C 3.55Å; K193-N213 WeakPolarHBondContact O-CA 3.07Å; K193-T214 WeakPolarHBondContact CA-OG1 3.47Å; K193-T214 PolarHBondContact O-N 3.44Å; K193-T214 PolarHBondContact O-OG1 2.86Å; K193-N215 PolarHBondContact NZ-ND2 2.72Å
194Q91.4Very high90.8Very high7 Ų739.7 Ų39.73%0.03319%0.19CC..EExtended strand (participates in β ladder)trans-112.2109.5-179.8-166.4169.4500108.9R191 P192 F196 S211 S288R191-Q194 HydrophobicContact CB-CB 3.99Å; R191-Q194 VanDerWaalsContact NH1-OE1 3.14Å; R191-Q194 WeakPolarHBondContact O-CB 3.29Å; R191-Q194 PolarHBondContact O-N 3.14Å; P192-Q194 VanDerWaalsContact C-N 3.26Å; P192-Q194 PolarHBondContact O-N 3.25Å; Q194-F196 HydrophobicContact CB-CE2 4.32Å; Q194-F196 HydrophobicContact CG-CE2 3.8Å; Q194-F196 HydrophobicContact CG-CZ 3.76Å; Q194-S211 VanDerWaalsContact CG-OG 3.23Å; Q194-S211 WeakPolarHBondContact CG-OG 3.4Å; Q194-S211 PolarHBondContact NE2-OG 3.08Å; Q194-S288 PolarHBondContact NE2-OG 2.88Å
195L94.3Very high90Very high1 Ų141.9 Ų41.91%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-96.5126.1179.8-174.265.6000109.7T124 V185 Q187 M197 S211 V212 T214T124-L195 HydrophobicContact CG2-CD1 4Å; T124-L195 HydrophobicContact CG2-CD2 4.02Å; V185-L195 HydrophobicContact CG2-CD1 3.29Å; V185-L195 HydrophobicContact CG2-CD2 4.46Å; V185-L195 HydrophobicContact CG2-CG 4Å; Q187-L195 HydrophobicContact CG-CB 4.48Å; Q187-L195 HydrophobicContact CG-CD1 3.43Å; Q187-L195 VanDerWaalsContact CG-CD1 3.43Å; L195-M197 HydrophobicContact CD2-CE 3.52Å; L195-M197 HydrophobicContact CG-CE 4.02Å; L195-S211 CarbonylContact O-C 3.59Å; L195-S211 WeakPolarHBondContact O-CA 3.31Å; L195-V212 PolarHBondContact N-O 2.87Å; L195-V212 PolarHBondContact O-N 3.3Å; L195-T214 HydrophobicContact CB-CG2 3.84Å
196F95.8Very high89.4Confident0 Ų044.4 Ų44.40%021%0.209CC..EExtended strand (participates in β ladder)trans-103.7128.6171.8-61.5-90.2000108.7V185 N186 Q194 A210 S211 V237 T239 L255 V257V185-F196 CarbonylContact C-O 3.42Å; V185-F196 VanDerWaalsContact CA-O 3.28Å; V185-F196 WeakPolarHBondContact CA-O 3.3Å; N186-F196 PolarHBondContact N-O 2.82Å; N186-F196 PolarHBondContact O-N 2.84Å; Q194-F196 HydrophobicContact CB-CE2 4.32Å; Q194-F196 HydrophobicContact CG-CE2 3.8Å; Q194-F196 HydrophobicContact CG-CZ 3.76Å; F196-A210 CarbonylContact C-O 3.5Å; F196-A210 WeakPolarHBondContact CA-O 3.29Å; F196-S211 WeakPolarHBondContact CE1-OG 3.47Å; F196-V237 HydrophobicContact CB-CG2 4.07Å; F196-T239 HydrophobicContact CB-CG2 4.44Å; F196-T239 HydrophobicContact CD2-CG2 3.57Å; F196-T239 HydrophobicContact CE2-CG2 3.91Å; F196-T239 HydrophobicContact CG-CG2 3.98Å; F196-L255 HydrophobicContact CE2-CD2 3.6Å; F196-L255 HydrophobicContact CZ-CD2 3.62Å; F196-L255 HydrophobicContact CZ-CG 4.38Å; F196-V257 HydrophobicContact CB-CG2 4.16Å; F196-V257 HydrophobicContact CD1-CB 3.9Å; F196-V257 HydrophobicContact CD1-CG1 3.95Å; F196-V257 HydrophobicContact CD1-CG2 3.74Å; F196-V257 HydrophobicContact CE1-CB 3.99Å; F196-V257 HydrophobicContact CE1-CG1 3.88Å; F196-V257 HydrophobicContact CE1-CG2 4.35Å; F196-V257 HydrophobicContact CG-CB 4.46Å; F196-V257 HydrophobicContact CG-CG2 4Å
197M96.1Very high89.2Confident0 Ų043.3 Ų43.30%021%0.205CC..EExtended strand (participates in β ladder)trans-134.1146.8-176.760.4-17666.300110.9P160 F181 S184 L195 G209 A210 V212 Y259P160-M197 HydrophobicContact CG-CE 4.42Å; P160-M197 HydrophobicContact CG-SD 3.93Å; F181-M197 HydrophobicContact CB-SD 4.36Å; F181-M197 HydrophobicContact CD1-CB 4.45Å; F181-M197 HydrophobicContact CD1-CG 3.76Å; F181-M197 HydrophobicContact CD1-SD 3.83Å; F181-M197 HydrophobicContact CE1-CG 4.21Å; F181-M197 HydrophobicContact CE1-SD 4.46Å; F181-M197 HydrophobicContact CG-SD 4.28Å; S184-M197 WeakPolarHBondContact O-CA 3.41Å; L195-M197 HydrophobicContact CD2-CE 3.52Å; L195-M197 HydrophobicContact CG-CE 4.02Å; M197-G209 CarbonylContact O-C 3.54Å; M197-A210 HydrophobicContact CG-CB 3.81Å; M197-A210 PolarHBondContact N-O 3.1Å; M197-A210 PolarHBondContact O-N 3.39Å; M197-A210 HydrophobicContact SD-CB 4.43Å; M197-V212 HydrophobicContact CE-CB 3.97Å; M197-V212 HydrophobicContact CE-CG2 3.5Å; M197-V212 HydrophobicContact SD-CG2 3.96Å; M197-Y259 WeakPolarHBondContact O-CE1 3.45Å
198G95.8Very high89.2Confident0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans-108.8144.3173.300000112.6F181 G182 A183 S184 G234F181-G198 WeakPolarHBondContact CA-O 3.32Å; G182-G198 PolarHBondContact N-O 3.41Å; G182-G198 VanDerWaalsContact N-O 3.11Å; A183-G198 PolarHBondContact N-O 3.42Å; S184-G198 PolarHBondContact O-N 3.11Å; G198-G234 VanDerWaalsContact CA-O 3.31Å; G198-G234 WeakPolarHBondContact CA-O 3.03Å
199G94.9Very high89.3Confident0 Ų042 Ų420%020%0.199CC..EExtended strand (participates in β ladder)trans-129.984177.500000111C179 H201 F202 G207 V208C179-G199 CarbonylContact O-C 3.55Å; C179-G199 VanDerWaalsContact O-C 3.25Å; C179-G199 WeakPolarHBondContact O-CA 3.45Å; G199-H201 VanDerWaalsContact C-N 3.34Å; G199-H201 PolarHBondContact O-N 3.23Å; G199-F202 VanDerWaalsContact O-CB 3.27Å; G199-F202 WeakPolarHBondContact O-CB 3.41Å; G199-F202 PolarHBondContact O-N 2.86Å; G199-G207 CarbonylContact O-C 3.56Å; G199-G207 VanDerWaalsContact O-CA 3.23Å; G199-G207 WeakPolarHBondContact O-CA 3.39Å; G199-V208 PolarHBondContact N-O 2.84Å; G199-V208 PolarHBondContact O-N 3.47Å; G199-V208 VanDerWaalsContact O-N 3.07Å
200P93.6Very high89.5Confident8 Ų839.7 Ų39.75%0.05218%0.184CC..THydrogen-bonded Turntrans-66.5-25.4-168.222.4-33.1000115.5A183 G207 L232 L233A183-P200 VanDerWaalsContact CB-CD 3.45Å; A183-P200 HydrophobicContact CB-CG 3.64Å; P200-G207 WeakPolarHBondContact O-CA 3.36Å; P200-G207 PolarHBondContact O-N 2.97Å; P200-L232 HydrophobicContact CB-CB 3.95Å; P200-L232 HydrophobicContact CB-CD2 4.45Å; P200-L232 WeakPolarHBondContact O-CA 3.22Å; P200-L233 WeakPolarHBondContact CA-O 3.37Å
201H89.4Confident89.8Confident72 Ų7234.4 Ų34.433%0.33316%0.155SC..THydrogen-bonded Turntrans-91.1-3.2-179.7-62.283.8000113.7Y178 T180 G199 Y203 E205Y178-H201 CarbonylContact O-C 3.29Å; Y178-H201 VanDerWaalsContact O-CB 3.29Å; Y178-H201 WeakPolarHBondContact O-CB 3.35Å; T180-H201 HydrophobicContact CG2-CB 4.17Å; T180-H201 PolarHBondContact OG1-N 3.38Å; T180-H201 PolarHBondContact OG1-ND1 2.8Å; G199-H201 VanDerWaalsContact C-N 3.34Å; G199-H201 PolarHBondContact O-N 3.23Å; H201-Y203 PolarHBondContact O-N 3.44Å; H201-E205 PolarHBondContact O-N 3.09Å
202F87Confident90.1Very high22 Ų2231.9 Ų31.910%0.09615%0.146CC..Hα-helixtrans-54136.6179.7-175.6-90.2000112I163 V167 Y178 C179 F181 G199 K206 G207 V208I163-F202 HydrophobicContact CG2-CE2 4.21Å; V167-F202 HydrophobicContact CG1-CZ 4.46Å; V167-F202 HydrophobicContact CG2-CE2 3.73Å; V167-F202 HydrophobicContact CG2-CZ 3.83Å; Y178-F202 PolarHBondContact O-N 2.77Å; C179-F202 HydrophobicContact CB-CD2 4.29Å; F181-F202 HydrophobicContact CE2-CD2 4.36Å; G199-F202 VanDerWaalsContact O-CB 3.27Å; G199-F202 WeakPolarHBondContact O-CB 3.41Å; G199-F202 PolarHBondContact O-N 2.86Å; F202-K206 PolarHBondContact O-N 2.79Å; F202-G207 PolarHBondContact O-N 3.13Å; F202-V208 HydrophobicContact CB-CB 3.95Å; F202-V208 HydrophobicContact CB-CG1 3.47Å; F202-V208 VanDerWaalsContact CB-CG1 3.47Å; F202-V208 HydrophobicContact CD1-CB 3.63Å; F202-V208 HydrophobicContact CD1-CG1 3.79Å; F202-V208 HydrophobicContact CD1-CG2 4.21Å; F202-V208 HydrophobicContact CD2-CG1 3.8Å; F202-V208 HydrophobicContact CE1-CB 4.26Å; F202-V208 HydrophobicContact CE1-CG1 4.47Å; F202-V208 HydrophobicContact CE1-CG2 4.35Å; F202-V208 HydrophobicContact CE2-CG1 4.48Å; F202-V208 HydrophobicContact CG-CB 3.79Å; F202-V208 HydrophobicContact CG-CG1 3.4Å; F202-V208 VanDerWaalsContact CG-CG1 3.4Å
203Y80.9Confident90.3Very high122 Ų12230.7 Ų30.748%0.47814%0.137SC..Hα-helixtrans47.168.8176.5-163.7-96.3000113.3V167 H201 K206V167-Y203 HydrophobicContact CG1-CD2 4.04Å; V167-Y203 HydrophobicContact CG1-CE2 4.46Å; H201-Y203 PolarHBondContact O-N 3.44Å; Y203-K206 HydrophobicContact CD1-CD 3.93Å; Y203-K206 HydrophobicContact CE1-CD 4.45Å; Y203-K206 WeakPolarHBondContact O-CG 3.43Å
204F75.3Confident90.3Very high144 Ų14426 Ų2663%0.63212%0.118SC*.Hα-helixtrans58.349.4179.1-51.5-83.1000113.7K206F204-K206 PolarHBondContact O-N 2.94Å; F204-K206 VanDerWaalsContact O-N 3.08Å
205E80.7Confident90Very high54 Ų5430.1 Ų30.125%0.25214%0.14SC..Hα-helixtrans61.320.8174.8-54.8-177.7175.600114.7H201 N230 T231 L232H201-E205 PolarHBondContact O-N 3.09Å; E205-N230 WeakPolarHBondContact O-CA 3.49Å; E205-N230 PolarHBondContact O-N 3.1Å; E205-T231 PolarHBondContact O-N 3.13Å; E205-L232 HydrophobicContact CB-CD2 3.94Å; E205-L232 HydrophobicContact CG-CD2 4.44Å; E205-L232 PolarHBondContact O-N 2.87Å
206K85.1Confident89.7Confident66 Ų6634.3 Ų34.329%0.28717%0.166SC..THydrogen-bonded Turntrans-71.5-38.6164.9-69-164.3-175.3-161.50110.5F202 Y203 F204 I227 L233F202-K206 PolarHBondContact O-N 2.79Å; Y203-K206 HydrophobicContact CD1-CD 3.93Å; Y203-K206 HydrophobicContact CE1-CD 4.45Å; Y203-K206 WeakPolarHBondContact O-CG 3.43Å; F204-K206 PolarHBondContact O-N 2.94Å; F204-K206 VanDerWaalsContact O-N 3.08Å; K206-I227 HydrophobicContact CB-CG2 4.05Å; K206-I227 HydrophobicContact CD-CB 4.46Å; K206-I227 WeakPolarHBondContact CD-O 3.45Å; K206-I227 WeakPolarHBondContact CE-O 3.5Å; K206-I227 HydrophobicContact CG-CG2 4.5Å; K206-I227 PolarHBondContact NZ-O 2.91Å; K206-L233 VanDerWaalsContact O-CB 3.29Å; K206-L233 WeakPolarHBondContact O-CB 3.44Å; K206-L233 PolarHBondContact O-N 2.85Å
207G90.3Very high89.3Confident5 Ų538.3 Ų38.35%0.05218%0.184CC..BIsolated β-bridgetrans80.1167.4-176.500000113.1G199 P200 F202 L233G199-G207 CarbonylContact O-C 3.56Å; G199-G207 VanDerWaalsContact O-CA 3.23Å; G199-G207 WeakPolarHBondContact O-CA 3.39Å; P200-G207 WeakPolarHBondContact O-CA 3.36Å; P200-G207 PolarHBondContact O-N 2.97Å; F202-G207 PolarHBondContact O-N 3.13Å; G207-L233 CarbonylContact C-O 3.58Å; G207-L233 VanDerWaalsContact CA-O 3.24Å; G207-L233 WeakPolarHBondContact CA-O 3.38Å
208V92.6Very high88.9Confident4 Ų440.5 Ų40.52%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-154.7147.7-176.873.70000110.9F181 G199 F202 I221 L233F181-V208 HydrophobicContact CE1-CG1 3.69Å; F181-V208 HydrophobicContact CE2-CG1 4.29Å; F181-V208 HydrophobicContact CZ-CG1 3.35Å; G199-V208 PolarHBondContact N-O 2.84Å; G199-V208 PolarHBondContact O-N 3.47Å; G199-V208 VanDerWaalsContact O-N 3.07Å; F202-V208 HydrophobicContact CB-CB 3.95Å; F202-V208 HydrophobicContact CB-CG1 3.47Å; F202-V208 VanDerWaalsContact CB-CG1 3.47Å; F202-V208 HydrophobicContact CD1-CB 3.63Å; F202-V208 HydrophobicContact CD1-CG1 3.79Å; F202-V208 HydrophobicContact CD1-CG2 4.21Å; F202-V208 HydrophobicContact CD2-CG1 3.8Å; F202-V208 HydrophobicContact CE1-CB 4.26Å; F202-V208 HydrophobicContact CE1-CG1 4.47Å; F202-V208 HydrophobicContact CE1-CG2 4.35Å; F202-V208 HydrophobicContact CE2-CG1 4.48Å; F202-V208 HydrophobicContact CG-CB 3.79Å; F202-V208 HydrophobicContact CG-CG1 3.4Å; F202-V208 VanDerWaalsContact CG-CG1 3.4Å; V208-I221 HydrophobicContact CG2-CB 4.04Å; V208-I221 HydrophobicContact CG2-CG2 4.48Å; V208-L233 PolarHBondContact N-O 2.87Å
209G94Very high88.5Confident0 Ų046.3 Ų46.30%022%0.216CC..EExtended strand (participates in β ladder)trans-98.5147.2163.700000110.8M197 I221 T222 Y259M197-G209 CarbonylContact O-C 3.54Å; G209-I221 CarbonylContact O-C 3.52Å; G209-I221 WeakPolarHBondContact O-CA 3.33Å; G209-T222 PolarHBondContact N-OG1 2.86Å; G209-T222 WeakPolarHBondContact O-CG2 3.47Å; G209-T222 PolarHBondContact O-N 2.85Å; G209-T222 PolarHBondContact O-OG1 3.34Å; G209-Y259 VanDerWaalsContact CA-CE1 3.48Å
210A93.4Very high88.2Confident0 Ų047.5 Ų47.50%022%0.223CC..EExtended strand (participates in β ladder)trans-135.2144172.600000111.7I163 F181 F196 M197 V220 I221 Y259I163-A210 HydrophobicContact CD1-CB 3.8Å; F181-A210 HydrophobicContact CE1-CB 3.72Å; F181-A210 HydrophobicContact CZ-CB 4.29Å; F196-A210 CarbonylContact C-O 3.5Å; F196-A210 WeakPolarHBondContact CA-O 3.29Å; M197-A210 HydrophobicContact CG-CB 3.81Å; M197-A210 PolarHBondContact N-O 3.1Å; M197-A210 PolarHBondContact O-N 3.39Å; M197-A210 HydrophobicContact SD-CB 4.43Å; A210-V220 CarbonylContact C-O 3.55Å; A210-V220 VanDerWaalsContact CA-O 3.26Å; A210-V220 WeakPolarHBondContact CA-O 3.38Å; A210-I221 HydrophobicContact CB-CG2 4.18Å; A210-Y259 PolarHBondContact N-OH 3.4Å; A210-Y259 PolarHBondContact O-OH 2.97Å
211S93.3Very high88Confident0 Ų050.6 Ų50.60%024%0.238CC..EExtended strand (participates in β ladder)trans-110.2130.6166.5-170.80000109.7Q194 L195 F196 R219 V220Q194-S211 VanDerWaalsContact CG-OG 3.23Å; Q194-S211 WeakPolarHBondContact CG-OG 3.4Å; Q194-S211 PolarHBondContact NE2-OG 3.08Å; L195-S211 CarbonylContact O-C 3.59Å; L195-S211 WeakPolarHBondContact O-CA 3.31Å; F196-S211 WeakPolarHBondContact CE1-OG 3.47Å; S211-R219 CarbonylContact O-C 3.29Å; S211-R219 WeakPolarHBondContact O-CA 3.43Å; S211-V220 PolarHBondContact N-O 2.87Å; S211-V220 PolarHBondContact O-N 2.87Å
212V92.3Very high88Confident0 Ų047.6 Ų47.60%023%0.225CC..EExtended strand (participates in β ladder)trans-129131.4-175.4-178.20000109.5A159 L195 M197 E218 R219A159-V212 HydrophobicContact CB-CB 4.19Å; A159-V212 HydrophobicContact CB-CG1 3.46Å; A159-V212 VanDerWaalsContact CB-CG1 3.46Å; A159-V212 HydrophobicContact CB-CG2 3.6Å; L195-V212 PolarHBondContact N-O 2.87Å; L195-V212 PolarHBondContact O-N 3.3Å; M197-V212 HydrophobicContact CE-CB 3.97Å; M197-V212 HydrophobicContact CE-CG2 3.5Å; M197-V212 HydrophobicContact SD-CG2 3.96Å; V212-E218 CarbonylContact C-O 3.59Å; V212-E218 VanDerWaalsContact CA-O 3.31Å; V212-E218 WeakPolarHBondContact CA-O 3.12Å; V212-R219 HydrophobicContact CG2-CB 4.18Å
213N90.8Very high87.7Confident25 Ų2551 Ų5113%0.13425%0.252CS..EExtended strand (participates in β ladder)trans-80.1117.8168.3-173.9-59.3000109.1K193 N215 T216 F217 E218K193-N213 CarbonylContact O-C 3.55Å; K193-N213 WeakPolarHBondContact O-CA 3.07Å; N213-N215 PolarHBondContact O-N 3.16Å; N213-N215 WeakPolarHBondContact OD1-CB 3.41Å; N213-N215 PolarHBondContact OD1-N 3.05Å; N213-T216 VanDerWaalsContact CB-OG1 3.24Å; N213-T216 WeakPolarHBondContact CB-OG1 3.21Å; N213-T216 PolarHBondContact OD1-N 3.09Å; N213-T216 PolarHBondContact OD1-OG1 3.01Å; N213-T216 VanDerWaalsContact OD1-OG1 3.12Å; N213-F217 WeakPolarHBondContact O-CA 3.38Å; N213-F217 PolarHBondContact O-N 3.03Å; N213-E218 HydrophobicContact CB-CB 4.19Å; N213-E218 PolarHBondContact N-O 3Å
214T88.5Confident87.3Confident17 Ų1747.1 Ų47.110%0.10424%0.241CC..THydrogen-bonded Turntrans-68.3-21-174.858.80000113.5K193 L195 F217K193-T214 WeakPolarHBondContact CA-OG1 3.47Å; K193-T214 PolarHBondContact O-N 3.44Å; K193-T214 PolarHBondContact O-OG1 2.86Å; L195-T214 HydrophobicContact CB-CG2 3.84Å; T214-F217 VanDerWaalsContact O-CE1 3.24Å; T214-F217 WeakPolarHBondContact O-CE1 3.36Å
215N86.9Confident87.2Confident92 Ų9248.5 Ų48.549%0.49225%0.249SC..THydrogen-bonded Turntrans-88.6-44.5178.2-76.837.7000113.3K193 N213K193-N215 PolarHBondContact NZ-ND2 2.72Å; N213-N215 PolarHBondContact O-N 3.16Å; N213-N215 WeakPolarHBondContact OD1-CB 3.41Å; N213-N215 PolarHBondContact OD1-N 3.05Å
216T87.3Confident87Confident89 Ų8952.4 Ų52.455%0.54627%0.272SS..THydrogen-bonded Turntrans-98.1-11.1-174.357.40000112.9N213 E218N213-T216 VanDerWaalsContact CB-OG1 3.24Å; N213-T216 WeakPolarHBondContact CB-OG1 3.21Å; N213-T216 PolarHBondContact OD1-N 3.09Å; N213-T216 PolarHBondContact OD1-OG1 3.01Å; N213-T216 VanDerWaalsContact OD1-OG1 3.12Å; T216-E218 PolarHBondContact O-N 2.75Å; T216-E218 VanDerWaalsContact O-N 3.08Å; T216-E218 PolarHBondContact OG1-N 3.07Å
217F86.5Confident86.8Confident85 Ų8550 Ų5037%0.37326%0.262SS..  trans55.518.5-170.7-49.7-63.1000113.8P158 N213 T214 R219P158-F217 VanDerWaalsContact CD-CD1 3.41Å; P158-F217 VanDerWaalsContact CD-CE1 3.43Å; P158-F217 HydrophobicContact CG-CB 4.17Å; P158-F217 HydrophobicContact CG-CD1 3.8Å; P158-F217 HydrophobicContact CG-CD2 4.01Å; P158-F217 HydrophobicContact CG-CE1 4.14Å; P158-F217 HydrophobicContact CG-CE2 4.34Å; P158-F217 HydrophobicContact CG-CG 3.71Å; P158-F217 HydrophobicContact CG-CZ 4.39Å; N213-F217 WeakPolarHBondContact O-CA 3.38Å; N213-F217 PolarHBondContact O-N 3.03Å; T214-F217 VanDerWaalsContact O-CE1 3.24Å; T214-F217 WeakPolarHBondContact O-CE1 3.36Å; F217-R219 WeakPolarHBondContact O-CD 3.4Å; F217-R219 PolarHBondContact O-N 3.27Å
218E87.9Confident86.1Confident45 Ų4550.9 Ų50.921%0.2127%0.266CS..  trans-60.6130.7169.1-176.8178.3-147.300109V212 N213 T216 K294 N295V212-E218 CarbonylContact C-O 3.59Å; V212-E218 VanDerWaalsContact CA-O 3.31Å; V212-E218 WeakPolarHBondContact CA-O 3.12Å; N213-E218 HydrophobicContact CB-CB 4.19Å; N213-E218 PolarHBondContact N-O 3Å; T216-E218 PolarHBondContact O-N 2.75Å; T216-E218 VanDerWaalsContact O-N 3.08Å; T216-E218 PolarHBondContact OG1-N 3.07Å; E218-K294 VanDerWaalsContact OE1-CA 3.26Å; E218-K294 WeakPolarHBondContact OE1-CA 3.3Å; E218-K294 WeakPolarHBondContact OE1-CB 3.24Å; E218-K294 WeakPolarHBondContact OE1-CG 3.31Å; E218-N295 PolarHBondContact OE2-N 3.15Å; E218-N295 VanDerWaalsContact OE2-N 3.13Å
219R87.3Confident85.3Confident122 Ų12252.4 Ų52.446%0.4628%0.278SS..EExtended strand (participates in β ladder)trans-129140.8-172.263.1-81.6177.7-98.13.5111.1A159 I163 S211 V212 F217A159-R219 HydrophobicContact CB-CB 4.39Å; I163-R219 HydrophobicContact CD1-CB 4.11Å; I163-R219 HydrophobicContact CD1-CG 4.38Å; I163-R219 HydrophobicContact CG1-CB 4.23Å; I163-R219 HydrophobicContact CG1-CG 3.93Å; S211-R219 CarbonylContact O-C 3.29Å; S211-R219 WeakPolarHBondContact O-CA 3.43Å; V212-R219 HydrophobicContact CG2-CB 4.18Å; F217-R219 WeakPolarHBondContact O-CD 3.4Å; F217-R219 PolarHBondContact O-N 3.27Å
220V90.2Very high84.7Confident25 Ų2553.8 Ų53.815%0.15229%0.285CS..EExtended strand (participates in β ladder)trans-133.3130.7173.6-176.30000107.2A210 S211 N295 I297A210-V220 CarbonylContact C-O 3.55Å; A210-V220 VanDerWaalsContact CA-O 3.26Å; A210-V220 WeakPolarHBondContact CA-O 3.38Å; S211-V220 PolarHBondContact N-O 2.87Å; S211-V220 PolarHBondContact O-N 2.87Å; V220-N295 HydrophobicContact CG2-CB 3.94Å; V220-N295 WeakPolarHBondContact CG2-O 3.42Å; V220-I297 HydrophobicContact CB-CD1 4.06Å; V220-I297 HydrophobicContact CB-CG1 4.15Å; V220-I297 HydrophobicContact CG1-CB 4.17Å; V220-I297 HydrophobicContact CG1-CD1 4.04Å; V220-I297 HydrophobicContact CG1-CG1 3.89Å
221I89Confident84.3Confident73 Ų7354 Ų5437%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-101149.4173.459.1173.8000110I163 V208 G209 A210 S223I163-I221 HydrophobicContact CD1-CG2 4.13Å; I163-I221 HydrophobicContact CG1-CG2 4.19Å; I163-I221 HydrophobicContact CG2-CG2 3.54Å; V208-I221 HydrophobicContact CG2-CB 4.04Å; V208-I221 HydrophobicContact CG2-CG2 4.48Å; G209-I221 CarbonylContact O-C 3.52Å; G209-I221 WeakPolarHBondContact O-CA 3.33Å; A210-I221 HydrophobicContact CB-CG2 4.18Å; I221-S223 PolarHBondContact O-N 3Å
222T88.6Confident84.3Confident9 Ų955.1 Ų55.16%0.05529%0.292CS..  trans-66.3125.9170.656.10000109.6G209 Y259 F286 I297G209-T222 PolarHBondContact N-OG1 2.86Å; G209-T222 WeakPolarHBondContact O-CG2 3.47Å; G209-T222 PolarHBondContact O-N 2.85Å; G209-T222 PolarHBondContact O-OG1 3.34Å; T222-Y259 HydrophobicContact CG2-CD2 4Å; T222-Y259 HydrophobicContact CG2-CE2 3.8Å; T222-F286 VanDerWaalsContact CB-CZ 3.47Å; T222-F286 HydrophobicContact CG2-CD1 4.05Å; T222-F286 HydrophobicContact CG2-CD2 3.94Å; T222-F286 HydrophobicContact CG2-CE1 3.69Å; T222-F286 HydrophobicContact CG2-CE2 3.54Å; T222-F286 HydrophobicContact CG2-CG 4.2Å; T222-F286 HydrophobicContact CG2-CZ 3.44Å; T222-F286 VanDerWaalsContact CG2-CZ 3.44Å; T222-I297 HydrophobicContact CG2-CG2 4.39Å
223S79.9Confident84.4Confident94 Ų9455.1 Ų55.166%0.65729%0.292SS*.  trans-115113.2169.761.60000109.6I221I221-S223 PolarHBondContact O-N 3Å
224V73.5Confident84.6Confident41 Ų4153.9 Ų53.925%0.24829%0.285CS..  trans-131123.1171.9-177.30000107.2I227 L284 F286 P299V224-I227 HydrophobicContact CB-CD1 4.11Å; V224-I227 HydrophobicContact CB-CG1 4.22Å; V224-L284 HydrophobicContact CB-CD1 4.38Å; V224-L284 HydrophobicContact CG2-CD1 4.09Å; V224-F286 HydrophobicContact CG2-CE1 3.66Å; V224-F286 HydrophobicContact CG2-CZ 3.61Å; V224-P299 HydrophobicContact CG2-CB 4.06Å
225E73.4Confident85.1Confident172 Ų17254.8 Ų54.880%0.80429%0.292SS*.THydrogen-bonded Turntrans-63.7148.6172.7-63.6179.5-18000108.9I227E225-I227 PolarHBondContact O-N 2.97Å
226D76.1Confident85.6Confident137 Ų13750.9 Ų50.973%0.73327%0.272SS*.THydrogen-bonded Turntrans64.934.7175.5-49.7-38.3000117.5P228 R302D226-P228 VanDerWaalsContact O-CD 3.31Å; D226-P228 WeakPolarHBondContact O-CD 3.37Å; D226-R302 PolarHBondContact O-NH1 3.19Å
227I80.8Confident86.1Confident15 Ų1547.4 Ų47.48%0.07725%0.251CS..PPolyproline II helixtrans-72.2120.6161-62.2168.4000108.9K206 V224 E225 T231 L233 L284K206-I227 HydrophobicContact CB-CG2 4.05Å; K206-I227 HydrophobicContact CD-CB 4.46Å; K206-I227 WeakPolarHBondContact CD-O 3.45Å; K206-I227 WeakPolarHBondContact CE-O 3.5Å; K206-I227 HydrophobicContact CG-CG2 4.5Å; K206-I227 PolarHBondContact NZ-O 2.91Å; V224-I227 HydrophobicContact CB-CD1 4.11Å; V224-I227 HydrophobicContact CB-CG1 4.22Å; E225-I227 PolarHBondContact O-N 2.97Å; I227-T231 HydrophobicContact CG2-CG2 4.39Å; I227-L233 HydrophobicContact CD1-CD2 3.73Å; I227-L284 HydrophobicContact CD1-CD1 4.23Å; I227-L284 HydrophobicContact CG1-CD1 4.44Å
228P75.4Confident86.6Confident23 Ų2343.9 Ų43.915%0.14924%0.236CC..PPolyproline II helixtrans-63.3148.8175.4-20.233.1000111.9D226 T231 F278D226-P228 VanDerWaalsContact O-CD 3.31Å; D226-P228 WeakPolarHBondContact O-CD 3.37Å; P228-T231 WeakPolarHBondContact O-CB 3.3Å; P228-T231 PolarHBondContact O-OG1 2.04Å; P228-F278 HydrophobicContact CB-CD1 3.94Å; P228-F278 HydrophobicContact CB-CE1 3.82Å
229S76.3Confident86.9Confident37 Ų3742 Ų4226%0.25923%0.227SC..THydrogen-bonded Turntrans-59.5150.5166.952.50000111.3T231S229-T231 VanDerWaalsContact C-N 3.34Å
230N80.8Confident87.2Confident29 Ų2936.1 Ų36.116%0.15521%0.205CC..THydrogen-bonded Turntrans66.230.7-179.3-39.4-62.5000114.2E205 V264 S266E205-N230 WeakPolarHBondContact O-CA 3.49Å; E205-N230 PolarHBondContact O-N 3.1Å; N230-V264 HydrophobicContact CB-CB 4.11Å; N230-V264 PolarHBondContact O-N 3.47Å; N230-S266 WeakPolarHBondContact ND2-CB 3.48Å
231T86.1Confident87.2Confident4 Ų435.7 Ų35.73%0.02520%0.202CC..  trans-94-16.9176.3-56.90000111.8E205 I227 P228 S229 L233 G261 P262 I282E205-T231 PolarHBondContact O-N 3.13Å; I227-T231 HydrophobicContact CG2-CG2 4.39Å; P228-T231 WeakPolarHBondContact O-CB 3.3Å; P228-T231 PolarHBondContact O-OG1 2.04Å; S229-T231 VanDerWaalsContact C-N 3.34Å; T231-L233 PolarHBondContact O-N 3.47Å; T231-L233 VanDerWaalsContact O-N 3.1Å; T231-G261 CarbonylContact O-C 3.56Å; T231-G261 WeakPolarHBondContact O-CA 3.36Å; T231-P262 CarbonylContact C-O 3.56Å; T231-P262 CarbonylContact O-C 3.52Å; T231-P262 VanDerWaalsContact O-N 3.16Å; T231-I282 HydrophobicContact CG2-CD1 3.54Å; T231-I282 HydrophobicContact CG2-CG1 3.48Å; T231-I282 VanDerWaalsContact CG2-CG1 3.48Å
232L93.1Very high87.2Confident23 Ų2338.1 Ų38.112%0.1221%0.206CC..  trans48.239.8177.6-55.7-176.3000113.8P200 E205 G234 S235 P262 V264P200-L232 HydrophobicContact CB-CB 3.95Å; P200-L232 HydrophobicContact CB-CD2 4.45Å; P200-L232 WeakPolarHBondContact O-CA 3.22Å; E205-L232 HydrophobicContact CB-CD2 3.94Å; E205-L232 HydrophobicContact CG-CD2 4.44Å; E205-L232 PolarHBondContact O-N 2.87Å; L232-G234 PolarHBondContact O-N 2.83Å; L232-S235 PolarHBondContact O-N 2.82Å; L232-S235 PolarHBondContact O-OG 2.9Å; L232-P262 HydrophobicContact CB-CG 4.29Å; L232-V264 HydrophobicContact CD1-CG2 3.45Å; L232-V264 VanDerWaalsContact CD1-CG2 3.45Å; L232-V264 HydrophobicContact CG-CG2 3.93Å
233L94.5Very high87.1Confident0 Ų037.7 Ų37.70%020%0.204CC..BIsolated β-bridgetrans-56.3135-178.9-178.671.6000111.7P200 K206 G207 V208 I227 T231 I282 L284P200-L233 WeakPolarHBondContact CA-O 3.37Å; K206-L233 VanDerWaalsContact O-CB 3.29Å; K206-L233 WeakPolarHBondContact O-CB 3.44Å; K206-L233 PolarHBondContact O-N 2.85Å; G207-L233 CarbonylContact C-O 3.58Å; G207-L233 VanDerWaalsContact CA-O 3.24Å; G207-L233 WeakPolarHBondContact CA-O 3.38Å; V208-L233 PolarHBondContact N-O 2.87Å; I227-L233 HydrophobicContact CD1-CD2 3.73Å; T231-L233 PolarHBondContact O-N 3.47Å; T231-L233 VanDerWaalsContact O-N 3.1Å; L233-I282 HydrophobicContact CD1-CD1 4.48Å; L233-I282 HydrophobicContact CD1-CG1 4.49Å; L233-L284 HydrophobicContact CD1-CB 4.44Å; L233-L284 HydrophobicContact CD1-CD1 3.93Å; L233-L284 HydrophobicContact CD1-CG 4.21Å; L233-L284 HydrophobicContact CD2-CD1 3.69Å; L233-L284 HydrophobicContact CG-CD1 4.48Å
234G95.8Very high87.1Confident0 Ų034.9 Ų34.90%018%0.179CC..THydrogen-bonded Turntrans90.616.1-173.700000113.2S184 G198 L232 S236 G260S184-G234 PolarHBondContact OG-O 3.41Å; G198-G234 VanDerWaalsContact CA-O 3.31Å; G198-G234 WeakPolarHBondContact CA-O 3.03Å; L232-G234 PolarHBondContact O-N 2.83Å; G234-S236 VanDerWaalsContact C-N 3.29Å; G234-G260 PolarHBondContact N-O 3.02Å
235S96.9Very high86.9Confident35 Ų3534.3 Ų34.325%0.24518%0.178CC..SBendtrans-71.5-26169.4-64.70000112.4L232 G260 P262L232-S235 PolarHBondContact O-N 2.82Å; L232-S235 PolarHBondContact O-OG 2.9Å; S235-G260 PolarHBondContact N-O 3.41Å; S235-G260 VanDerWaalsContact N-O 3.08Å; S235-P262 VanDerWaalsContact CB-CD 3.44Å; S235-P262 WeakPolarHBondContact OG-CD 3.19Å; S235-P262 WeakPolarHBondContact OG-CG 3.47Å
236S98Very high86.4Confident11 Ų1128.4 Ų28.48%0.07716%0.155CC..EExtended strand (participates in β ladder)trans-137.8152.6171.660.40000110.6G234 Y259 G260 G313 H314 L316G234-S236 VanDerWaalsContact C-N 3.29Å; S236-Y259 WeakPolarHBondContact O-CA 3.26Å; S236-G260 PolarHBondContact O-N 3.3Å; S236-G260 WeakPolarHBondContact OG-CA 3.46Å; S236-G313 PolarHBondContact OG-O 3.35Å; S236-H314 WeakPolarHBondContact CB-O 3.49Å; S236-L316 WeakPolarHBondContact OG-CD2 3.34Å
237V97.8Very high85.8Confident15 Ų1525.3 Ų25.39%0.09114%0.138CC..EExtended strand (participates in β ladder)trans-151135.4179.663.80000111S184 N186 F196 V257 A258 Y259S184-V237 WeakPolarHBondContact OG-CG1 3.38Å; N186-V237 HydrophobicContact CB-CG1 3.87Å; N186-V237 HydrophobicContact CB-CG2 4.32Å; F196-V237 HydrophobicContact CB-CG2 4.07Å; V237-V257 HydrophobicContact CG2-CG2 3.63Å; V237-A258 VanDerWaalsContact CA-O 3.29Å; V237-A258 WeakPolarHBondContact CA-O 3.38Å; V237-Y259 HydrophobicContact CB-CD1 3.95Å; V237-Y259 HydrophobicContact CB-CE1 4.02Å; V237-Y259 HydrophobicContact CG2-CD1 3.75Å; V237-Y259 HydrophobicContact CG2-CE1 3.48Å; V237-Y259 VanDerWaalsContact CG2-CE1 3.48Å
238D96.6Very high84.9Confident11 Ų1130.3 Ų30.36%0.05917%0.172CC..EExtended strand (participates in β ladder)trans-142.9158.5167.5-162.122.7000110.6N186 V257 A258 L316 I317 F318 K406N186-D238 PolarHBondContact ND2-OD1 3.22Å; D238-V257 WeakPolarHBondContact O-CA 3.33Å; D238-A258 PolarHBondContact N-O 2.95Å; D238-A258 PolarHBondContact O-N 2.95Å; D238-L316 HydrophobicContact CB-CD1 3.67Å; D238-I317 WeakPolarHBondContact OD2-CA 3.03Å; D238-F318 HydrophobicContact CB-CD2 4.2Å; D238-F318 PolarHBondContact OD2-N 2.78Å; D238-K406 IonicContact OD1-NZ 3.38Å; D238-K406 WeakPolarHBondContact OD2-CE 3.5Å; D238-K406 IonicContact OD2-NZ 3.84Å; D238-K406 PolarHBondContact OD2-NZ 3.48Å
239T95.2Very high84.2Confident5 Ų533.3 Ų33.33%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-127.8152.4-177.363.90000111.9N186 H188 F196 Y256 V257N186-T239 HydrophobicContact CB-CG2 4.49Å; N186-T239 WeakPolarHBondContact OD1-CB 3.33Å; N186-T239 WeakPolarHBondContact OD1-CG2 3.31Å; N186-T239 PolarHBondContact OD1-OG1 3.09Å; H188-T239 WeakPolarHBondContact CB-OG1 3.47Å; H188-T239 PolarHBondContact CD2-OG1 2.75Å; F196-T239 HydrophobicContact CB-CG2 4.44Å; F196-T239 HydrophobicContact CD2-CG2 3.57Å; F196-T239 HydrophobicContact CE2-CG2 3.91Å; F196-T239 HydrophobicContact CG-CG2 3.98Å; T239-Y256 VanDerWaalsContact CA-O 3.27Å; T239-Y256 WeakPolarHBondContact CA-O 3.49Å; T239-Y256 WeakPolarHBondContact CB-O 3.16Å; T239-V257 HydrophobicContact CG2-CB 4.01Å; T239-V257 HydrophobicContact CG2-CG2 3.88Å
240T93Very high83.4Confident0 Ų035.7 Ų35.70%022%0.216CC..EExtended strand (participates in β ladder)trans-152.8149.4177.5176.50000110.5R242 L243 Y256 F318 D327T240-R242 PolarHBondContact OG1-N 3.15Å; T240-L243 HydrophobicContact CG2-CB 4.17Å; T240-Y256 PolarHBondContact N-O 2.83Å; T240-Y256 PolarHBondContact O-N 3.05Å; T240-F318 HydrophobicContact CG2-CB 4.12Å; T240-F318 HydrophobicContact CG2-CD1 3.76Å; T240-F318 HydrophobicContact CG2-CD2 3.51Å; T240-F318 HydrophobicContact CG2-CE1 3.95Å; T240-F318 HydrophobicContact CG2-CE2 3.71Å; T240-F318 HydrophobicContact CG2-CG 3.53Å; T240-F318 HydrophobicContact CG2-CZ 3.91Å; T240-D327 VanDerWaalsContact CB-OD2 3.29Å; T240-D327 WeakPolarHBondContact CB-OD2 3.35Å; T240-D327 PolarHBondContact OG1-OD2 3.38Å
241D90.1Very high82.2Confident15 Ų1544.5 Ų44.58%0.0825%0.253CS..SBendtrans-110.79.9167.171.2-20.1000113.4H188 N190 Y253 E254 L255H188-D241 IonicContact CE1-OD1 3.25Å; H188-D241 IonicContact CE1-OD2 3.05Å; H188-D241 IonicContact NE2-OD1 3.98Å; N190-D241 PolarHBondContact ND2-OD2 3.23Å; D241-Y253 WeakPolarHBondContact O-CD1 3.33Å; D241-E254 WeakPolarHBondContact CA-O 3.2Å; D241-E254 WeakPolarHBondContact CB-O 3.44Å; D241-L255 HydrophobicContact CB-CD1 4.43Å
242R88.9Confident81Confident125 Ų12547.8 Ų47.847%0.47228%0.276SS..  trans-115.239.4-178.1-57.9-177.6-179.3-174.2-1.1112T240 W326 D327T240-R242 PolarHBondContact OG1-N 3.15Å; R242-W326 HydrophobicContact CB-CE3 4.49Å; R242-W326 WeakPolarHBondContact O-CA 3.26Å; R242-D327 HydrophobicContact CB-CB 4.37Å; R242-D327 PolarHBondContact O-N 2.77Å
243L86.9Confident79.9Confident0 Ų052.5 Ų52.50%029%0.293CS..SBendtrans-91-41175-163.965000112.2T240 Y256 I285 L300 F318 N356 L373 F374T240-L243 HydrophobicContact CG2-CB 4.17Å; L243-Y256 HydrophobicContact CB-CD1 4.48Å; L243-Y256 HydrophobicContact CB-CD2 3.56Å; L243-Y256 HydrophobicContact CB-CE2 3.91Å; L243-Y256 HydrophobicContact CB-CG 3.88Å; L243-Y256 HydrophobicContact CD2-CD1 3.79Å; L243-Y256 HydrophobicContact CD2-CD2 4.31Å; L243-Y256 HydrophobicContact CD2-CE1 4.37Å; L243-Y256 HydrophobicContact CD2-CG 3.75Å; L243-Y256 HydrophobicContact CG-CG 4.47Å; L243-I285 HydrophobicContact CD2-CG2 3.98Å; L243-L300 HydrophobicContact CD2-CD2 3.88Å; L243-F318 HydrophobicContact CD1-CE1 4.14Å; L243-N356 PolarHBondContact O-ND2 3.16Å; L243-L373 HydrophobicContact CD1-CD2 3.36Å; L243-L373 HydrophobicContact CD2-CD2 4.04Å; L243-L373 HydrophobicContact CG-CD2 3.43Å; L243-L373 VanDerWaalsContact CG-CD2 3.43Å; L243-F374 HydrophobicContact CD1-CE2 3.61Å; L243-F374 HydrophobicContact CD1-CZ 3.52Å
244Y80.1Confident79.2Confident34 Ų3454 Ų5413%0.13330%0.301CS..SBendtrans-135.7153.5178.6-64.4-88.8000111.1Y256 L300 W326 Q358 L373Y244-Y256 AromaticContact CD2-CE1 3.71Å; Y244-Y256 HydrophobicContact CD2-CE1 3.71Å; Y244-Y256 HydrophobicContact CD2-CE2 4.14Å; Y244-Y256 AromaticContact CD2-CZ 3.49Å; Y244-Y256 VanDerWaalsContact CD2-CZ 3.49Å; Y244-Y256 WeakPolarHBondContact CD2-OH 3.41Å; Y244-Y256 HydrophobicContact CE2-CE1 4.02Å; Y244-L300 HydrophobicContact CE2-CD1 4.31Å; Y244-L300 HydrophobicContact CE2-CD2 3.57Å; Y244-W326 VanDerWaalsContact O-CZ3 3.25Å; Y244-W326 WeakPolarHBondContact O-CZ3 3.48Å; Y244-Q358 VanDerWaalsContact CD1-OE1 3.29Å; Y244-L373 HydrophobicContact CE1-CD1 3.94Å; Y244-L373 HydrophobicContact CE1-CD2 4.23Å; Y244-L373 HydrophobicContact CE2-CD2 3.99Å
245A68.7Low78.9Confident29 Ų2954.2 Ų54.224%0.2430%0.302CS..PPolyproline II helixtrans-61.8146.417100000112.3L247 W326 P364A245-L247 PolarHBondContact O-N 2.78Å; A245-W326 HydrophobicContact CB-CH2 3.73Å; A245-W326 HydrophobicContact CB-CZ2 4.06Å; A245-P364 VanDerWaalsContact O-CG 3.23Å; A245-P364 WeakPolarHBondContact O-CG 3.18Å
246P64.4Low78.7Confident49 Ų4953.1 Ų53.132%0.31829%0.292SS..PPolyproline II helixtrans-60.8139.2175.324-31.4000110.1Y253P246-Y253 HydrophobicContact CG-CD1 4.43Å; P246-Y253 HydrophobicContact CG-CE1 4.11Å
247L63.2Low78.6Confident72 Ų7252.6 Ų52.638%0.37729%0.288SS..PPolyproline II helixtrans-57.8143176.5-73.1165.1000110.8A245 G249 L250 P364A245-L247 PolarHBondContact O-N 2.78Å; L247-G249 PolarHBondContact O-N 2.86Å; L247-G249 VanDerWaalsContact O-N 3.08Å; L247-L250 HydrophobicContact CB-CD1 3.94Å; L247-L250 PolarHBondContact O-N 2.66Å; L247-P364 HydrophobicContact CD2-CB 3.96Å; L247-P364 HydrophobicContact CD2-CG 3.93Å; L247-P364 HydrophobicContact CG-CG 4.49Å
248P61.1Low78.5Confident119 Ų11951.9 Ų51.977%0.77328%0.284SS*.THydrogen-bonded Turntrans-52.2118178.2-24.932.7000111.9
249G60.4Low78.6Confident86 Ų8651.3 Ų51.389%0.88728%0.281SS*.THydrogen-bonded Turntrans98.8-11.3179.500000115.8L247L247-G249 PolarHBondContact O-N 2.86Å; L247-G249 VanDerWaalsContact O-N 3.08Å
250L58.9Low78.7Confident88 Ų8851.1 Ų51.146%0.46128%0.28SS..  trans-95.3128.2168.5-77.9103.1000110.5L247L247-L250 HydrophobicContact CB-CD1 3.94Å; L247-L250 PolarHBondContact O-N 2.66Å
251K55.8Low78.8Confident213 Ų21351.1 Ų51.193%0.92628%0.28SS*.  trans-85.5-8.2176-72.4-172.4177.4-176.60113.8
252S61.2Low79.1Confident74 Ų7450.5 Ų50.552%0.51728%0.277SS..SBendtrans-106.9129.6-17657.10000110.8
253Y70.4Confident79.1Confident121 Ų12144.6 Ų44.648%0.47525%0.254SS..PPolyproline II helixtrans-61.5137.1166.8-63.2-89.7000110D241 P246D241-Y253 WeakPolarHBondContact O-CD1 3.33Å; P246-Y253 HydrophobicContact CG-CD1 4.43Å; P246-Y253 HydrophobicContact CG-CE1 4.11Å
254E79.5Confident78.9Confident33 Ų3346.4 Ų46.415%0.15427%0.265CS..PPolyproline II helixtrans-77.6150.7171-66.8-174146.800109.6D241 Y256 Q287 N289D241-E254 WeakPolarHBondContact CA-O 3.2Å; D241-E254 WeakPolarHBondContact CB-O 3.44Å; E254-Y256 HydrophobicContact CB-CE2 4.07Å; E254-Y256 WeakPolarHBondContact O-CE2 3.35Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; E254-Q287 VanDerWaalsContact CD-NE2 3.35Å; E254-Q287 PolarHBondContact OE1-NE2 2.92Å; E254-Q287 PolarHBondContact OE2-NE2 3.45Å; E254-N289 WeakPolarHBondContact CG-OD1 3.34Å; E254-N289 PolarHBondContact OE1-ND2 3.14Å; E254-N289 PolarHBondContact OE1-OD1 3.39Å
255L89.7Confident78.6Confident4 Ų448 Ų482%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-98.2135.3-179.3-175.763.9000109.1H188 R191 F196 D241 S288H188-L255 HydrophobicContact CB-CD1 3.59Å; H188-L255 HydrophobicContact CB-CD2 3.92Å; H188-L255 HydrophobicContact CB-CG 4.45Å; R191-L255 HydrophobicContact CB-CD2 4.11Å; R191-L255 HydrophobicContact CG-CD2 4.17Å; F196-L255 HydrophobicContact CE2-CD2 3.6Å; F196-L255 HydrophobicContact CZ-CD2 3.62Å; F196-L255 HydrophobicContact CZ-CG 4.38Å; D241-L255 HydrophobicContact CB-CD1 4.43Å; L255-S288 WeakPolarHBondContact O-CA 3.36Å; L255-S288 VanDerWaalsContact O-CB 3.25Å; L255-S288 WeakPolarHBondContact O-CB 3.3Å; L255-S288 PolarHBondContact O-N 2.9Å
256Y92.4Very high78.3Confident11 Ų1149.2 Ų49.24%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-116.5149.6176.2-57.1-89.3000109.7T239 T240 L243 Y244 E254 F286 Q287 L300T239-Y256 VanDerWaalsContact CA-O 3.27Å; T239-Y256 WeakPolarHBondContact CA-O 3.49Å; T239-Y256 WeakPolarHBondContact CB-O 3.16Å; T240-Y256 PolarHBondContact N-O 2.83Å; T240-Y256 PolarHBondContact O-N 3.05Å; L243-Y256 HydrophobicContact CB-CD1 4.48Å; L243-Y256 HydrophobicContact CB-CD2 3.56Å; L243-Y256 HydrophobicContact CB-CE2 3.91Å; L243-Y256 HydrophobicContact CB-CG 3.88Å; L243-Y256 HydrophobicContact CD2-CD1 3.79Å; L243-Y256 HydrophobicContact CD2-CD2 4.31Å; L243-Y256 HydrophobicContact CD2-CE1 4.37Å; L243-Y256 HydrophobicContact CD2-CG 3.75Å; L243-Y256 HydrophobicContact CG-CG 4.47Å; Y244-Y256 AromaticContact CD2-CE1 3.71Å; Y244-Y256 HydrophobicContact CD2-CE1 3.71Å; Y244-Y256 HydrophobicContact CD2-CE2 4.14Å; Y244-Y256 AromaticContact CD2-CZ 3.49Å; Y244-Y256 VanDerWaalsContact CD2-CZ 3.49Å; Y244-Y256 WeakPolarHBondContact CD2-OH 3.41Å; Y244-Y256 HydrophobicContact CE2-CE1 4.02Å; E254-Y256 HydrophobicContact CB-CE2 4.07Å; E254-Y256 WeakPolarHBondContact O-CE2 3.35Å; E254-Y256 PolarHBondContact OE2-OH 3.43Å; Y256-F286 VanDerWaalsContact CA-O 3.31Å; Y256-F286 WeakPolarHBondContact CA-O 3.29Å; Y256-Q287 HydrophobicContact CD1-CB 4.18Å; Y256-Q287 HydrophobicContact CD1-CG 4.39Å; Y256-Q287 HydrophobicContact CE1-CB 4.04Å; Y256-Q287 HydrophobicContact CE1-CG 3.88Å; Y256-L300 HydrophobicContact CD1-CD2 4.16Å; Y256-L300 HydrophobicContact CE1-CD2 4.28Å
257V95.6Very high77.8Confident0 Ų051.5 Ų51.50%030%0.304CS..EExtended strand (participates in β ladder)trans-134.9132.6178.259.30000109.6F196 V237 D238 T239 Y259 I285 F286 I297F196-V257 HydrophobicContact CB-CG2 4.16Å; F196-V257 HydrophobicContact CD1-CB 3.9Å; F196-V257 HydrophobicContact CD1-CG1 3.95Å; F196-V257 HydrophobicContact CD1-CG2 3.74Å; F196-V257 HydrophobicContact CE1-CB 3.99Å; F196-V257 HydrophobicContact CE1-CG1 3.88Å; F196-V257 HydrophobicContact CE1-CG2 4.35Å; F196-V257 HydrophobicContact CG-CB 4.46Å; F196-V257 HydrophobicContact CG-CG2 4Å; V237-V257 HydrophobicContact CG2-CG2 3.63Å; D238-V257 WeakPolarHBondContact O-CA 3.33Å; T239-V257 HydrophobicContact CG2-CB 4.01Å; T239-V257 HydrophobicContact CG2-CG2 3.88Å; V257-Y259 HydrophobicContact CB-CE2 4.32Å; V257-Y259 HydrophobicContact CG1-CD2 4.41Å; V257-Y259 HydrophobicContact CG1-CE2 3.75Å; V257-Y259 HydrophobicContact CG2-CD2 4.09Å; V257-Y259 HydrophobicContact CG2-CE1 4.38Å; V257-Y259 HydrophobicContact CG2-CE2 3.56Å; V257-I285 CarbonylContact O-C 3.05Å; V257-I285 WeakPolarHBondContact O-CA 3.25Å; V257-F286 HydrophobicContact CG1-CB 3.95Å; V257-F286 PolarHBondContact N-O 3.4Å; V257-F286 PolarHBondContact O-N 3.29Å; V257-I297 HydrophobicContact CG1-CG2 4.35Å
258A97.2Very high77.1Confident0 Ų051.7 Ų51.70%032%0.316CS..EExtended strand (participates in β ladder)trans-105.5132.7171.800000109.8V237 D238 V283 L284 I285 L316 F318V237-A258 VanDerWaalsContact CA-O 3.29Å; V237-A258 WeakPolarHBondContact CA-O 3.38Å; D238-A258 PolarHBondContact N-O 2.95Å; D238-A258 PolarHBondContact O-N 2.95Å; A258-V283 HydrophobicContact CB-CG1 4.19Å; A258-L284 WeakPolarHBondContact CA-O 3.47Å; A258-I285 HydrophobicContact CB-CG1 4.15Å; A258-L316 HydrophobicContact CB-CD1 3.76Å; A258-L316 HydrophobicContact CB-CD2 4.24Å; A258-F318 HydrophobicContact CB-CE2 3.5Å; A258-F318 VanDerWaalsContact CB-CE2 3.5Å; A258-F318 HydrophobicContact CB-CZ 3.63Å
259Y97.8Very high76.4Confident0 Ų049.5 Ų49.50%030%0.3CS..EExtended strand (participates in β ladder)trans-115.5124.8171.1-68.2-80.2000109.9M197 G209 A210 T222 S236 V237 V257 V283 L284 F286M197-Y259 WeakPolarHBondContact O-CE1 3.45Å; G209-Y259 VanDerWaalsContact CA-CE1 3.48Å; A210-Y259 PolarHBondContact N-OH 3.4Å; A210-Y259 PolarHBondContact O-OH 2.97Å; T222-Y259 HydrophobicContact CG2-CD2 4Å; T222-Y259 HydrophobicContact CG2-CE2 3.8Å; S236-Y259 WeakPolarHBondContact O-CA 3.26Å; V237-Y259 HydrophobicContact CB-CD1 3.95Å; V237-Y259 HydrophobicContact CB-CE1 4.02Å; V237-Y259 HydrophobicContact CG2-CD1 3.75Å; V237-Y259 HydrophobicContact CG2-CE1 3.48Å; V237-Y259 VanDerWaalsContact CG2-CE1 3.48Å; V257-Y259 HydrophobicContact CB-CE2 4.32Å; V257-Y259 HydrophobicContact CG1-CD2 4.41Å; V257-Y259 HydrophobicContact CG1-CE2 3.75Å; V257-Y259 HydrophobicContact CG2-CD2 4.09Å; V257-Y259 HydrophobicContact CG2-CE1 4.38Å; V257-Y259 HydrophobicContact CG2-CE2 3.56Å; Y259-V283 WeakPolarHBondContact O-CA 3.45Å; Y259-L284 PolarHBondContact N-O 3Å; Y259-L284 PolarHBondContact O-N 2.92Å; Y259-F286 AromaticContact CD2-CD2 3.87Å; Y259-F286 HydrophobicContact CD2-CD2 3.87Å; Y259-F286 AromaticContact CD2-CE2 3.92Å; Y259-F286 HydrophobicContact CD2-CE2 3.92Å; Y259-F286 HydrophobicContact CE2-CD2 4.35Å
260G97.2Very high75.7Confident0 Ų053.2 Ų53.20%030%0.3CS..EExtended strand (participates in β ladder)trans-90.9138.6175.300000111.9G234 S235 S236 G313G234-G260 PolarHBondContact N-O 3.02Å; S235-G260 PolarHBondContact N-O 3.41Å; S235-G260 VanDerWaalsContact N-O 3.08Å; S236-G260 PolarHBondContact O-N 3.3Å; S236-G260 WeakPolarHBondContact OG-CA 3.46Å; G260-G313 CarbonylContact C-O 3.56Å; G260-G313 VanDerWaalsContact CA-O 3.29Å; G260-G313 WeakPolarHBondContact CA-O 3.13Å
261G95.7Very high75.1Confident0 Ų052.5 Ų52.50%031%0.314CS..EExtended strand (participates in β ladder)trans-128.788.8178.300000110.8T231 G263 G281 I282T231-G261 CarbonylContact O-C 3.56Å; T231-G261 WeakPolarHBondContact O-CA 3.36Å; G261-G263 PolarHBondContact O-N 3.29Å; G261-G281 CarbonylContact O-C 3.09Å; G261-G281 WeakPolarHBondContact O-CA 3.38Å; G261-I282 PolarHBondContact N-O 3.11Å; G261-I282 PolarHBondContact O-N 2.92Å
262P95.2Very high74.6Confident3 Ų349.7 Ų49.72%0.01930%0.302CS..  trans-65.8121.5177.127.2-33.1000111.3T231 L232 S235 R311 F312 H314T231-P262 CarbonylContact C-O 3.56Å; T231-P262 CarbonylContact O-C 3.52Å; T231-P262 VanDerWaalsContact O-N 3.16Å; L232-P262 HydrophobicContact CB-CG 4.29Å; S235-P262 VanDerWaalsContact CB-CD 3.44Å; S235-P262 WeakPolarHBondContact OG-CD 3.19Å; S235-P262 WeakPolarHBondContact OG-CG 3.47Å; P262-R311 HydrophobicContact CB-CB 3.85Å; P262-R311 HydrophobicContact CB-CG 4.28Å; P262-F312 WeakPolarHBondContact CA-O 3.49Å; P262-H314 HydrophobicContact CB-CB 4.2Å
263G90Very high73.8Confident0 Ų052.5 Ų52.50%032%0.316CS..  trans-68.3133.3176.800000112.3G261 G279 R311G261-G263 PolarHBondContact O-N 3.29Å; G263-G279 CarbonylContact C-O 3.58Å; G263-R311 WeakPolarHBondContact O-CG 3.28Å
264V83.2Confident72.8Confident38 Ų3849.9 Ų49.923%0.2331%0.31CS..  trans-104.3130.7174.2-172.70000109.4N230 L232 S266N230-V264 HydrophobicContact CB-CB 4.11Å; N230-V264 PolarHBondContact O-N 3.47Å; L232-V264 HydrophobicContact CD1-CG2 3.45Å; L232-V264 VanDerWaalsContact CD1-CG2 3.45Å; L232-V264 HydrophobicContact CG-CG2 3.93Å; V264-S266 PolarHBondContact O-N 2.71Å
265P72Confident71.3Confident69 Ų6956.8 Ų56.845%0.44834%0.34SS..  trans-57.9119.7171.8-25.435.1000111.3F308P265-F308 HydrophobicContact CB-CE1 3.75Å; P265-F308 HydrophobicContact CB-CZ 3.7Å; P265-F308 HydrophobicContact CG-CE1 4.02Å; P265-F308 HydrophobicContact CG-CZ 4.29Å
266S64.3Low69.5Low54 Ų5461.6 Ų61.638%0.37837%0.369SS..  trans-117126.8169.9178.30000110.1N230 V264 A268N230-S266 WeakPolarHBondContact ND2-CB 3.48Å; V264-S266 PolarHBondContact O-N 2.71Å; S266-A268 PolarHBondContact O-N 3.21Å
267S53.2Low67.7Low97 Ų9763.7 Ų63.768%0.67838%0.384SS*.SBendtrans-78.8-2.4-179-64.20000113.9Y1275S267-Y1275 WeakPolarHBondContact CB-OH 3.38Å; S267-Y1275 PolarHBondContact OG-OH 2.82Å
268A47.2Very low66.2Low76 Ų7666.6 Ų66.663%0.62840%0.396SS*.  trans-152.695.6-171.600000112.2S266S266-A268 PolarHBondContact O-N 3.21Å
269V47.8Very low65.3Low73 Ų7367 Ų6744%0.44240%0.401SS..  trans-119.7119.4151.7-176.20000106.6G271V269-G271 PolarHBondContact O-N 3.49Å
270N44.4Very low64.8Low163 Ų16367.2 Ų67.287%0.87240%0.402SS*.THydrogen-bonded Turntrans-47.9107.7-177.4-68.6-30000111.3F272N270-F272 PolarHBondContact O-N 3.15Å
271G48.1Very low64.6Low73 Ų7367.3 Ų67.375%0.75340%0.403SS*.THydrogen-bonded Turntrans82.81160.700000118.5V269V269-G271 PolarHBondContact O-N 3.49Å
272F45Very low64.5Low154 Ų15467.6 Ų67.668%0.67540%0.404SS*.  trans-89.8111.4171.1-108.4-98.6000110.6N270 F278N270-F272 PolarHBondContact O-N 3.15Å; F272-F278 HydrophobicContact CB-CE2 4.31Å; F272-F278 AromaticContact CD1-CE2 3.89Å; F272-F278 HydrophobicContact CD1-CE2 3.89Å; F272-F278 HydrophobicContact CD1-CZ 4.23Å; F272-F278 HydrophobicContact CG-CE2 4.38Å; F272-F278 HydrophobicContact CG-CZ 4.47Å
273T43.3Very low64.5Low133 Ų13367.4 Ų67.482%0.81640%0.403SS*.  trans-87.71.4-175.147.90000114.4K275T273-K275 PolarHBondContact O-N 3.05Å
274D49.3Very low64.8Low67 Ų6767.6 Ų67.636%0.35840%0.404SS..  trans-83.383.2178.4-163.93.7000111.2T276 T277 F278D274-T276 PolarHBondContact O-N 3.36Å; D274-T276 PolarHBondContact OD1-N 3.42Å; D274-T276 PolarHBondContact OD1-OG1 2.81Å; D274-T277 PolarHBondContact OD2-OG1 2.77Å; D274-F278 WeakPolarHBondContact O-CD2 3.49Å
275K48.5Very low65.3Low178 Ų17865.8 Ų65.877%0.77439%0.393SS*.THydrogen-bonded Turntrans-67.8-6.5176.9-67.3-179.3177.5179.60113.4T273T273-K275 PolarHBondContact O-N 3.05Å
276T51.8Low66.3Low105 Ų10562.6 Ų62.664%0.64437%0.372SS*.THydrogen-bonded Turntrans-91.1-26-170.368.20000113.8D274D274-T276 PolarHBondContact O-N 3.36Å; D274-T276 PolarHBondContact OD1-N 3.42Å; D274-T276 PolarHBondContact OD1-OG1 2.81Å
277T54.2Low67.5Low55 Ų5561.9 Ų61.934%0.33736%0.363SS..THydrogen-bonded Turntrans-108.2-24-173.845.70000114.1D274 G279D274-T277 PolarHBondContact OD2-OG1 2.77Å; T277-G279 PolarHBondContact O-N 2.89Å
278F64.5Low69.1Low60 Ų6057.3 Ų57.326%0.26333%0.331SS..THydrogen-bonded Turntrans-76.5123.1179.7-81.6-91.2000111.7P228 F272 D274 F308P228-F278 HydrophobicContact CB-CD1 3.94Å; P228-F278 HydrophobicContact CB-CE1 3.82Å; F272-F278 HydrophobicContact CB-CE2 4.31Å; F272-F278 AromaticContact CD1-CE2 3.89Å; F272-F278 HydrophobicContact CD1-CE2 3.89Å; F272-F278 HydrophobicContact CD1-CZ 4.23Å; F272-F278 HydrophobicContact CG-CE2 4.38Å; F272-F278 HydrophobicContact CG-CZ 4.47Å; D274-F278 WeakPolarHBondContact O-CD2 3.49Å; F278-F308 WeakPolarHBondContact O-CD2 3.35Å; F278-F308 WeakPolarHBondContact O-CE2 3.46Å
279G78.7Confident70.6Confident10 Ų1055.1 Ų55.110%0.10331%0.309CS..THydrogen-bonded Turntrans85.611.5168.900000115.9G263 T277 G309G263-G279 CarbonylContact C-O 3.58Å; T277-G279 PolarHBondContact O-N 2.89Å; G279-G309 WeakPolarHBondContact O-CA 3.21Å; G279-G309 PolarHBondContact O-N 3.31Å
280T87.1Confident71.9Confident4 Ų458.2 Ų58.23%0.02532%0.316CS..SBendtrans-70.2-3616960.80000111.6G305 S307 S310 F312T280-G305 WeakPolarHBondContact CB-O 3.36Å; T280-G305 WeakPolarHBondContact CG2-O 3.29Å; T280-G305 PolarHBondContact OG1-O 3.32Å; T280-S307 WeakPolarHBondContact CA-O 3.24Å; T280-S310 PolarHBondContact O-OG 3.28Å; T280-S310 VanDerWaalsContact O-OG 3.05Å; T280-F312 WeakPolarHBondContact O-CB 3.32Å; T280-F312 PolarHBondContact O-N 3.18Å
281G92.3Very high72.9Confident2 Ų255.9 Ų55.92%0.02130%0.3CS..  trans99.1159.6-173.800000112.1G261 G305 F312G261-G281 CarbonylContact O-C 3.09Å; G261-G281 WeakPolarHBondContact O-CA 3.38Å; G281-G305 PolarHBondContact O-N 2.87Å; G281-F312 CarbonylContact C-O 3.6Å; G281-F312 WeakPolarHBondContact CA-O 3.46Å
282I94.2Very high73.8Confident5 Ų560.8 Ų60.83%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-138.7158.5-173.969.2179.1000111.7T231 L233 G261 L284 I303 E304 F312T231-I282 HydrophobicContact CG2-CD1 3.54Å; T231-I282 HydrophobicContact CG2-CG1 3.48Å; T231-I282 VanDerWaalsContact CG2-CG1 3.48Å; L233-I282 HydrophobicContact CD1-CD1 4.48Å; L233-I282 HydrophobicContact CD1-CG1 4.49Å; G261-I282 PolarHBondContact N-O 3.11Å; G261-I282 PolarHBondContact O-N 2.92Å; I282-L284 HydrophobicContact CD1-CD1 3.97Å; I282-L284 HydrophobicContact CD1-CD2 4.23Å; I282-L284 HydrophobicContact CD1-CG 3.9Å; I282-L284 HydrophobicContact CG1-CG 4.41Å; I282-I303 CarbonylContact C-O 3.59Å; I282-I303 VanDerWaalsContact CA-O 3.29Å; I282-I303 WeakPolarHBondContact CA-O 3.47Å; I282-E304 HydrophobicContact CG2-CG 4.29Å; I282-F312 PolarHBondContact N-O 3.2Å
283V96.1Very high74.8Confident0 Ų056.6 Ų56.60%031%0.309CS..EExtended strand (participates in β ladder)trans-123127.4162.2174.60000108A258 Y259 I285 I303 F312 L316 L329 V331A258-V283 HydrophobicContact CB-CG1 4.19Å; Y259-V283 WeakPolarHBondContact O-CA 3.45Å; V283-I285 HydrophobicContact CG1-CG1 4.29Å; V283-I303 HydrophobicContact CB-CB 4.46Å; V283-I303 PolarHBondContact N-O 2.76Å; V283-I303 PolarHBondContact O-N 3.08Å; V283-F312 HydrophobicContact CB-CE1 4.27Å; V283-F312 HydrophobicContact CG2-CD1 4.31Å; V283-F312 HydrophobicContact CG2-CE1 3.73Å; V283-F312 HydrophobicContact CG2-CZ 4.29Å; V283-L316 HydrophobicContact CG1-CD2 4.02Å; V283-L316 HydrophobicContact CG2-CD2 4.01Å; V283-L329 HydrophobicContact CG1-CD2 4.42Å; V283-V331 HydrophobicContact CG2-CG1 3.72Å; V283-V331 HydrophobicContact CG2-CG2 4.02Å
284L95.3Very high76Confident4 Ų456.8 Ų56.82%0.02130%0.299CS..EExtended strand (participates in β ladder)trans-112.1124175.7-64178.7000109.2V224 I227 L233 A258 Y259 I282 F286 R302V224-L284 HydrophobicContact CB-CD1 4.38Å; V224-L284 HydrophobicContact CG2-CD1 4.09Å; I227-L284 HydrophobicContact CD1-CD1 4.23Å; I227-L284 HydrophobicContact CG1-CD1 4.44Å; L233-L284 HydrophobicContact CD1-CB 4.44Å; L233-L284 HydrophobicContact CD1-CD1 3.93Å; L233-L284 HydrophobicContact CD1-CG 4.21Å; L233-L284 HydrophobicContact CD2-CD1 3.69Å; L233-L284 HydrophobicContact CG-CD1 4.48Å; A258-L284 WeakPolarHBondContact CA-O 3.47Å; Y259-L284 PolarHBondContact N-O 3Å; Y259-L284 PolarHBondContact O-N 2.92Å; I282-L284 HydrophobicContact CD1-CD1 3.97Å; I282-L284 HydrophobicContact CD1-CD2 4.23Å; I282-L284 HydrophobicContact CD1-CG 3.9Å; I282-L284 HydrophobicContact CG1-CG 4.41Å; L284-F286 HydrophobicContact CB-CD2 4.33Å; L284-F286 HydrophobicContact CB-CE2 3.44Å; L284-F286 VanDerWaalsContact CB-CE2 3.44Å; L284-F286 HydrophobicContact CB-CZ 3.93Å; L284-F286 HydrophobicContact CD1-CE2 4.39Å; L284-F286 HydrophobicContact CD1-CZ 4.15Å; L284-R302 HydrophobicContact CD2-CB 3.57Å; L284-R302 HydrophobicContact CD2-CG 3.66Å
285I94.2Very high77.3Confident0 Ų054 Ų540%028%0.284CS..EExtended strand (participates in β ladder)trans-104.6135.8177.1-52.3-178.7000108.3L243 V257 A258 V283 L300 M301 F318 L329 F374L243-I285 HydrophobicContact CD2-CG2 3.98Å; V257-I285 CarbonylContact O-C 3.05Å; V257-I285 WeakPolarHBondContact O-CA 3.25Å; A258-I285 HydrophobicContact CB-CG1 4.15Å; V283-I285 HydrophobicContact CG1-CG1 4.29Å; I285-L300 HydrophobicContact CG2-CD2 4Å; I285-L300 WeakPolarHBondContact O-CB 3.36Å; I285-L300 PolarHBondContact O-N 2.89Å; I285-M301 HydrophobicContact CB-CG 3.88Å; I285-M301 HydrophobicContact CD1-CG 3.96Å; I285-M301 HydrophobicContact CD1-SD 3.95Å; I285-M301 HydrophobicContact CG1-CG 4.12Å; I285-M301 PolarHBondContact N-O 3.37Å; I285-M301 PolarHBondContact O-N 2.98Å; I285-F318 HydrophobicContact CD1-CZ 4.27Å; I285-L329 HydrophobicContact CD1-CD2 4.16Å; I285-F374 HydrophobicContact CD1-CD2 3.74Å; I285-F374 HydrophobicContact CD1-CE2 3.74Å
286F92.8Very high78.9Confident1 Ų147.9 Ų47.90%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-127.6148179.3-58.5-103.5000111.5T222 V224 Y256 V257 Y259 L284 I297 K298 P299T222-F286 VanDerWaalsContact CB-CZ 3.47Å; T222-F286 HydrophobicContact CG2-CD1 4.05Å; T222-F286 HydrophobicContact CG2-CD2 3.94Å; T222-F286 HydrophobicContact CG2-CE1 3.69Å; T222-F286 HydrophobicContact CG2-CE2 3.54Å; T222-F286 HydrophobicContact CG2-CG 4.2Å; T222-F286 HydrophobicContact CG2-CZ 3.44Å; T222-F286 VanDerWaalsContact CG2-CZ 3.44Å; V224-F286 HydrophobicContact CG2-CE1 3.66Å; V224-F286 HydrophobicContact CG2-CZ 3.61Å; Y256-F286 VanDerWaalsContact CA-O 3.31Å; Y256-F286 WeakPolarHBondContact CA-O 3.29Å; V257-F286 HydrophobicContact CG1-CB 3.95Å; V257-F286 PolarHBondContact N-O 3.4Å; V257-F286 PolarHBondContact O-N 3.29Å; Y259-F286 AromaticContact CD2-CD2 3.87Å; Y259-F286 HydrophobicContact CD2-CD2 3.87Å; Y259-F286 AromaticContact CD2-CE2 3.92Å; Y259-F286 HydrophobicContact CD2-CE2 3.92Å; Y259-F286 HydrophobicContact CE2-CD2 4.35Å; L284-F286 HydrophobicContact CB-CD2 4.33Å; L284-F286 HydrophobicContact CB-CE2 3.44Å; L284-F286 VanDerWaalsContact CB-CE2 3.44Å; L284-F286 HydrophobicContact CB-CZ 3.93Å; L284-F286 HydrophobicContact CD1-CE2 4.39Å; L284-F286 HydrophobicContact CD1-CZ 4.15Å; F286-I297 HydrophobicContact CB-CG2 3.18Å; F286-I297 HydrophobicContact CD1-CG2 3.64Å; F286-I297 HydrophobicContact CD2-CG2 4.49Å; F286-I297 HydrophobicContact CG-CG2 3.55Å; F286-K298 CarbonylContact C-O 3.56Å; F286-K298 WeakPolarHBondContact CA-O 3.15Å; F286-K298 WeakPolarHBondContact CB-O 3.32Å; F286-P299 HydrophobicContact CD1-CB 3.95Å; F286-P299 HydrophobicContact CE1-CB 3.8Å
287Q88.7Confident80.6Confident40 Ų4043.2 Ų43.219%0.18723%0.23CC..EExtended strand (participates in β ladder)trans-89.1122.5170.1-175.4-171.725.700109.3E254 Y256 N289 I297 K298E254-Q287 VanDerWaalsContact CD-NE2 3.35Å; E254-Q287 PolarHBondContact OE1-NE2 2.92Å; E254-Q287 PolarHBondContact OE2-NE2 3.45Å; Y256-Q287 HydrophobicContact CD1-CB 4.18Å; Y256-Q287 HydrophobicContact CD1-CG 4.39Å; Y256-Q287 HydrophobicContact CE1-CB 4.04Å; Y256-Q287 HydrophobicContact CE1-CG 3.88Å; Q287-N289 PolarHBondContact NE2-ND2 3.38Å; Q287-N289 VanDerWaalsContact NE2-ND2 3.19Å; Q287-I297 CarbonylContact O-C 3.57Å; Q287-I297 WeakPolarHBondContact O-CA 3.47Å; Q287-K298 PolarHBondContact N-O 3.49Å; Q287-K298 PolarHBondContact O-N 3.1Å
288S88Confident82.1Confident0 Ų044.9 Ų44.90%023%0.233CC..EExtended strand (participates in β ladder)trans-103.4104.8-179.4-179.20000111.1R191 Q194 L255 N296R191-S288 VanDerWaalsContact CZ-O 3.31Å; R191-S288 PolarHBondContact NH1-O 2.89Å; R191-S288 PolarHBondContact NH1-OG 2.9Å; R191-S288 PolarHBondContact NH2-O 2.85Å; Q194-S288 PolarHBondContact NE2-OG 2.88Å; L255-S288 WeakPolarHBondContact O-CA 3.36Å; L255-S288 VanDerWaalsContact O-CB 3.25Å; L255-S288 WeakPolarHBondContact O-CB 3.3Å; L255-S288 PolarHBondContact O-N 2.9Å; S288-N296 WeakPolarHBondContact CA-O 3.36Å
289N79.1Confident83.1Confident31 Ų3145 Ų4517%0.16624%0.24CC..EExtended strand (participates in β ladder)trans-125.7164.1-175.1-80.8-9000112.3E254 Q287 N296E254-N289 WeakPolarHBondContact CG-OD1 3.34Å; E254-N289 PolarHBondContact OE1-ND2 3.14Å; E254-N289 PolarHBondContact OE1-OD1 3.39Å; Q287-N289 PolarHBondContact NE2-ND2 3.38Å; Q287-N289 VanDerWaalsContact NE2-ND2 3.19Å; N289-N296 PolarHBondContact N-O 2.74Å; N289-N296 PolarHBondContact O-N 3.11Å; N289-N296 VanDerWaalsContact O-O 3.13Å
290K73.7Confident83.4Confident137 Ų13747.6 Ų47.660%0.59625%0.251SS*.EExtended strand (participates in β ladder)trans-99.8114.8168.7-73.1-172177.2-177.40109.5K294K290-K294 CarbonylContact C-O 3.54Å; K290-K294 WeakPolarHBondContact CA-O 3.44Å
291Q65.5Low83.4Confident115 Ų11548.7 Ų48.754%0.53726%0.256SS..EExtended strand (participates in β ladder)trans-109.2123.8172.8-76.9-175.8-13.800109.5G293 K294 N296Q291-G293 PolarHBondContact O-N 2.98Å; Q291-G293 VanDerWaalsContact O-N 3.13Å; Q291-K294 PolarHBondContact N-O 3.15Å; Q291-K294 PolarHBondContact O-N 2.81Å; Q291-N296 HydrophobicContact CB-CB 4.46Å; Q291-N296 HydrophobicContact CG-CB 4.46Å; Q291-N296 PolarHBondContact OE1-ND2 3.04Å
292N66.5Low83.3Confident176 Ų17652.5 Ų52.594%0.94127%0.27SS*.THydrogen-bonded Turntrans50.137.4-179.1-64.4-19.2000114K294N292-K294 PolarHBondContact O-N 3.16Å
293G66.3Low83.2Confident65 Ų6552.6 Ų52.667%0.6727%0.271SS*.THydrogen-bonded Turntrans80.3-8.4-178.600000115.4Q291Q291-G293 PolarHBondContact O-N 2.98Å; Q291-G293 VanDerWaalsContact O-N 3.13Å
294K68.7Low82.9Confident138 Ų13856 Ų5660%0.629%0.286SS*.EExtended strand (participates in β ladder)trans-93.8143.9175.7-64.8-166.2176.8177.90111.4E218 K290 Q291 N292E218-K294 VanDerWaalsContact OE1-CA 3.26Å; E218-K294 WeakPolarHBondContact OE1-CA 3.3Å; E218-K294 WeakPolarHBondContact OE1-CB 3.24Å; E218-K294 WeakPolarHBondContact OE1-CG 3.31Å; K290-K294 CarbonylContact C-O 3.54Å; K290-K294 WeakPolarHBondContact CA-O 3.44Å; Q291-K294 PolarHBondContact N-O 3.15Å; Q291-K294 PolarHBondContact O-N 2.81Å; N292-K294 PolarHBondContact O-N 3.16Å
295N76.4Confident82.7Confident9 Ų956.1 Ų56.15%0.04829%0.289CS..EExtended strand (participates in β ladder)trans-62.1142.5167.8-72.3-11.7000109.7E218 V220E218-N295 PolarHBondContact OE2-N 3.15Å; E218-N295 VanDerWaalsContact OE2-N 3.13Å; V220-N295 HydrophobicContact CG2-CB 3.94Å; V220-N295 WeakPolarHBondContact CG2-O 3.42Å
296N83Confident82.3Confident49 Ų4960.5 Ų60.526%0.26231%0.309SS..EExtended strand (participates in β ladder)trans-141.8147.3172.1-170.715.8000109.9S288 N289 Q291S288-N296 WeakPolarHBondContact CA-O 3.36Å; N289-N296 PolarHBondContact N-O 2.74Å; N289-N296 PolarHBondContact O-N 3.11Å; N289-N296 VanDerWaalsContact O-O 3.13Å; Q291-N296 HydrophobicContact CB-CB 4.46Å; Q291-N296 HydrophobicContact CG-CB 4.46Å; Q291-N296 PolarHBondContact OE1-ND2 3.04Å
297I86.4Confident82Confident6 Ų662 Ų623%0.03132%0.32CS..EExtended strand (participates in β ladder)trans-128.5103.6178.5-51.4172000107.7V220 T222 V257 F286 Q287V220-I297 HydrophobicContact CB-CD1 4.06Å; V220-I297 HydrophobicContact CB-CG1 4.15Å; V220-I297 HydrophobicContact CG1-CB 4.17Å; V220-I297 HydrophobicContact CG1-CD1 4.04Å; V220-I297 HydrophobicContact CG1-CG1 3.89Å; T222-I297 HydrophobicContact CG2-CG2 4.39Å; V257-I297 HydrophobicContact CG1-CG2 4.35Å; F286-I297 HydrophobicContact CB-CG2 3.18Å; F286-I297 HydrophobicContact CD1-CG2 3.64Å; F286-I297 HydrophobicContact CD2-CG2 4.49Å; F286-I297 HydrophobicContact CG-CG2 3.55Å; Q287-I297 CarbonylContact O-C 3.57Å; Q287-I297 WeakPolarHBondContact O-CA 3.47Å
298K85.6Confident81.8Confident91 Ų9165.5 Ų65.540%0.39634%0.335SS..EExtended strand (participates in β ladder)trans-93.5131.6179.6-173.4-173.9173-171.60109.8F286 Q287 L300 E367F286-K298 CarbonylContact C-O 3.56Å; F286-K298 WeakPolarHBondContact CA-O 3.15Å; F286-K298 WeakPolarHBondContact CB-O 3.32Å; Q287-K298 PolarHBondContact N-O 3.49Å; Q287-K298 PolarHBondContact O-N 3.1Å; K298-L300 PolarHBondContact O-N 3.44Å; K298-E367 IonicContact NZ-OE1 2.74Å; K298-E367 PolarHBondContact NZ-OE1 3.4Å
299P87.2Confident81.7Confident63 Ų6366.1 Ų66.141%0.40934%0.341SS..EExtended strand (participates in β ladder)trans-61.2130.9172.525.4-32.6000109.9V224 F286V224-P299 HydrophobicContact CG2-CB 4.06Å; F286-P299 HydrophobicContact CD1-CB 3.95Å; F286-P299 HydrophobicContact CE1-CB 3.8Å
300L84.7Confident82.2Confident63 Ų6364.7 Ų64.733%0.3333%0.334SS..EExtended strand (participates in β ladder)trans-104.8-52.9179.7176.874.6000110.4L243 Y244 Y256 I285 K298L243-L300 HydrophobicContact CD2-CD2 3.88Å; Y244-L300 HydrophobicContact CE2-CD1 4.31Å; Y244-L300 HydrophobicContact CE2-CD2 3.57Å; Y256-L300 HydrophobicContact CD1-CD2 4.16Å; Y256-L300 HydrophobicContact CE1-CD2 4.28Å; I285-L300 HydrophobicContact CG2-CD2 4Å; I285-L300 WeakPolarHBondContact O-CB 3.36Å; I285-L300 PolarHBondContact O-N 2.89Å; K298-L300 PolarHBondContact O-N 3.44Å
301M87.1Confident83.2Confident28 Ų2861.7 Ų61.714%0.13832%0.318CS..EExtended strand (participates in β ladder)trans-157.7162.7-178.464.2-178.2-56.600113I285 I303 E372 L373 F374I285-M301 HydrophobicContact CB-CG 3.88Å; I285-M301 HydrophobicContact CD1-CG 3.96Å; I285-M301 HydrophobicContact CD1-SD 3.95Å; I285-M301 HydrophobicContact CG1-CG 4.12Å; I285-M301 PolarHBondContact N-O 3.37Å; I285-M301 PolarHBondContact O-N 2.98Å; M301-I303 HydrophobicContact CE-CD1 4.19Å; M301-I303 HydrophobicContact CE-CG1 3.99Å; M301-E372 HydrophobicContact CE-CB 4.35Å; M301-L373 HydrophobicContact SD-CB 4.12Å; M301-F374 HydrophobicContact CE-CB 3.92Å; M301-F374 HydrophobicContact CE-CD2 4.35Å; M301-F374 VanDerWaalsContact CE-O 3.26Å; M301-F374 WeakPolarHBondContact CE-O 3.36Å; M301-F374 HydrophobicContact SD-CD2 3.98Å
302R89.1Confident84.6Confident81 Ų8156.2 Ų56.231%0.30629%0.293SS..EExtended strand (participates in β ladder)trans-127.3130.9179.5171176.8173156.6-1.8109.2D226 L284 E304D226-R302 PolarHBondContact O-NH1 3.19Å; L284-R302 HydrophobicContact CD2-CB 3.57Å; L284-R302 HydrophobicContact CD2-CG 3.66Å; R302-E304 HydrophobicContact CG-CG 4.3Å; R302-E304 IonicContact CZ-OE1 3.85Å; R302-E304 IonicContact NE-OE1 3.5Å; R302-E304 PolarHBondContact NE-OE1 2.78Å; R302-E304 IonicContact NH2-OE1 2.79Å; R302-E304 PolarHBondContact NH2-OE1 2.96Å
303I92.7Very high86.1Confident8 Ų847.8 Ų47.84%0.04125%0.248CC..EExtended strand (participates in β ladder)trans-119.4128.1174.2-53.1171.3000107.6I282 V283 M301 F312 L329 F354 F374 Y376I282-I303 CarbonylContact C-O 3.59Å; I282-I303 VanDerWaalsContact CA-O 3.29Å; I282-I303 WeakPolarHBondContact CA-O 3.47Å; V283-I303 HydrophobicContact CB-CB 4.46Å; V283-I303 PolarHBondContact N-O 2.76Å; V283-I303 PolarHBondContact O-N 3.08Å; M301-I303 HydrophobicContact CE-CD1 4.19Å; M301-I303 HydrophobicContact CE-CG1 3.99Å; I303-F312 HydrophobicContact CB-CE1 4.43Å; I303-F312 HydrophobicContact CG2-CE1 4.01Å; I303-F312 HydrophobicContact CG2-CZ 3.86Å; I303-L329 HydrophobicContact CD1-CD2 3.49Å; I303-L329 VanDerWaalsContact CD1-CD2 3.49Å; I303-F354 HydrophobicContact CG2-CE1 4.34Å; I303-F354 HydrophobicContact CG2-CE2 4.32Å; I303-F354 HydrophobicContact CG2-CZ 3.83Å; I303-F374 HydrophobicContact CD1-CB 3.72Å; I303-F374 HydrophobicContact CD1-CD2 4.14Å; I303-F374 HydrophobicContact CD1-CG 4.35Å; I303-Y376 HydrophobicContact CG2-CE2 4.07Å
304E90.4Very high87.5Confident71 Ų7147.6 Ų47.633%0.33223%0.229SC..EExtended strand (participates in β ladder)trans-104.4144.8-179.3-57.2-167.4158.500111.8I282 R302 Y376I282-E304 HydrophobicContact CG2-CG 4.29Å; R302-E304 HydrophobicContact CG-CG 4.3Å; R302-E304 IonicContact CZ-OE1 3.85Å; R302-E304 IonicContact NE-OE1 3.5Å; R302-E304 PolarHBondContact NE-OE1 2.78Å; R302-E304 IonicContact NH2-OE1 2.79Å; R302-E304 PolarHBondContact NH2-OE1 2.96Å; E304-Y376 WeakPolarHBondContact O-CE2 3.39Å; E304-Y376 PolarHBondContact O-OH 2.91Å
305G90.4Very high88.9Confident7 Ų741.5 Ų41.57%0.07220%0.204CC..  trans-67.8150.3172.300000112T280 G281T280-G305 WeakPolarHBondContact CB-O 3.36Å; T280-G305 WeakPolarHBondContact CG2-O 3.29Å; T280-G305 PolarHBondContact OG1-O 3.32Å; G281-G305 PolarHBondContact O-N 2.87Å
306Q86.4Confident90Very high92 Ų9241.6 Ų41.643%0.4321%0.205SC..SBendtrans-84.5-18-175.9-64.6-168.3-29.800115F352 Y376Q306-F352 HydrophobicContact CG-CE1 4.26Å; Q306-Y376 HydrophobicContact CG-CE1 3.99Å; Q306-Y376 HydrophobicContact CG-CE2 4.25Å
307S86.1Confident90.6Very high33 Ų3339.8 Ų39.823%0.23120%0.195CC..SBendtrans-131.5134.5-172.5-67.50000112.3T280 G309 S310 Q336T280-S307 WeakPolarHBondContact CA-O 3.24Å; S307-G309 PolarHBondContact O-N 3Å; S307-S310 VanDerWaalsContact O-CB 3.28Å; S307-S310 WeakPolarHBondContact O-CB 3.31Å; S307-S310 PolarHBondContact O-N 2.9Å; S307-S310 VanDerWaalsContact O-N 3.15Å; S307-S310 PolarHBondContact O-OG 2.84Å; S307-Q336 PolarHBondContact OG-NE2 3.48Å
308F84.8Confident91.1Very high112 Ų11239.5 Ų39.549%0.49119%0.194SC..THydrogen-bonded Turntrans-55.7129.2175.6178-90.8000111.1P265 F278 S310P265-F308 HydrophobicContact CB-CE1 3.75Å; P265-F308 HydrophobicContact CB-CZ 3.7Å; P265-F308 HydrophobicContact CG-CE1 4.02Å; P265-F308 HydrophobicContact CG-CZ 4.29Å; F278-F308 WeakPolarHBondContact O-CD2 3.35Å; F278-F308 WeakPolarHBondContact O-CE2 3.46Å; F308-S310 PolarHBondContact O-N 3.05Å
309G85.2Confident91.6Very high14 Ų1435.5 Ų35.514%0.14418%0.176CC..THydrogen-bonded Turntrans70.311.2178.200000114.8G279 S307 R311 Y335G279-G309 WeakPolarHBondContact O-CA 3.21Å; G279-G309 PolarHBondContact O-N 3.31Å; S307-G309 PolarHBondContact O-N 3Å; G309-R311 PolarHBondContact O-N 3.4Å; G309-Y335 WeakPolarHBondContact O-CB 3.41Å
310S90.7Very high91.9Very high0 Ų033.2 Ų33.20%016%0.161CC..  trans-67.6-18.917768.30000113.4T280 S307 F308 F312 A333 Y335 Q336T280-S310 PolarHBondContact O-OG 3.28Å; T280-S310 VanDerWaalsContact O-OG 3.05Å; S307-S310 VanDerWaalsContact O-CB 3.28Å; S307-S310 WeakPolarHBondContact O-CB 3.31Å; S307-S310 PolarHBondContact O-N 2.9Å; S307-S310 VanDerWaalsContact O-N 3.15Å; S307-S310 PolarHBondContact O-OG 2.84Å; F308-S310 PolarHBondContact O-N 3.05Å; S310-F312 VanDerWaalsContact C-N 3.31Å; S310-F312 PolarHBondContact OG-N 3.08Å; S310-A333 CarbonylContact O-C 3.6Å; S310-A333 VanDerWaalsContact O-C 3.29Å; S310-A333 WeakPolarHBondContact O-CA 3.13Å; S310-Y335 PolarHBondContact O-N 3.15Å; S310-Y335 VanDerWaalsContact O-N 3.16Å; S310-Q336 PolarHBondContact OG-OE1 3.19Å
311R93.7Very high92.4Very high74 Ų7430.2 Ų30.228%0.27915%0.145SC..  trans58.143-172.9-67.4178.9144.3-153.10.7111.5P262 G263 G309 G313 H314 P334 Y335P262-R311 HydrophobicContact CB-CB 3.85Å; P262-R311 HydrophobicContact CB-CG 4.28Å; G263-R311 WeakPolarHBondContact O-CG 3.28Å; G309-R311 PolarHBondContact O-N 3.4Å; R311-G313 PolarHBondContact O-N 3.47Å; R311-H314 HydrophobicContact CB-CB 4.49Å; R311-H314 VanDerWaalsContact O-CB 3.24Å; R311-H314 WeakPolarHBondContact O-CB 3.28Å; R311-H314 PolarHBondContact O-N 3.23Å; R311-H314 VanDerWaalsContact O-N 3.16Å; R311-P334 HydrophobicContact CB-CG 4.48Å; R311-Y335 HydrophobicContact CB-CD2 4.24Å; R311-Y335 HydrophobicContact CG-CD2 4.07Å
312F95.5Very high92.6Very high0 Ų030 Ų300%014%0.144CC..THydrogen-bonded Turntrans-57.6135.5172.5-179.8-96.5000110.8P262 T280 G281 I282 V283 I303 S310 V331 A333 F352 F354P262-F312 WeakPolarHBondContact CA-O 3.49Å; T280-F312 WeakPolarHBondContact O-CB 3.32Å; T280-F312 PolarHBondContact O-N 3.18Å; G281-F312 CarbonylContact C-O 3.6Å; G281-F312 WeakPolarHBondContact CA-O 3.46Å; I282-F312 PolarHBondContact N-O 3.2Å; V283-F312 HydrophobicContact CB-CE1 4.27Å; V283-F312 HydrophobicContact CG2-CD1 4.31Å; V283-F312 HydrophobicContact CG2-CE1 3.73Å; V283-F312 HydrophobicContact CG2-CZ 4.29Å; I303-F312 HydrophobicContact CB-CE1 4.43Å; I303-F312 HydrophobicContact CG2-CE1 4.01Å; I303-F312 HydrophobicContact CG2-CZ 3.86Å; S310-F312 VanDerWaalsContact C-N 3.31Å; S310-F312 PolarHBondContact OG-N 3.08Å; F312-V331 HydrophobicContact CD1-CG1 4.3Å; F312-V331 HydrophobicContact CD2-CB 4.42Å; F312-V331 HydrophobicContact CD2-CG1 3.83Å; F312-V331 HydrophobicContact CE1-CG1 4.03Å; F312-V331 HydrophobicContact CE2-CB 3.72Å; F312-V331 HydrophobicContact CE2-CG1 3.52Å; F312-V331 HydrophobicContact CE2-CG2 4.33Å; F312-V331 HydrophobicContact CG-CG1 4.22Å; F312-V331 HydrophobicContact CZ-CB 3.9Å; F312-V331 HydrophobicContact CZ-CG1 3.63Å; F312-V331 HydrophobicContact CZ-CG2 4.03Å; F312-A333 HydrophobicContact CB-CB 4.32Å; F312-A333 HydrophobicContact CD2-CB 4.37Å; F312-F352 AromaticContact CD2-CD2 3.69Å; F312-F352 HydrophobicContact CD2-CD2 3.69Å; F312-F352 AromaticContact CD2-CE2 3.89Å; F312-F352 HydrophobicContact CD2-CE2 3.89Å; F312-F352 HydrophobicContact CD2-CG 4.15Å; F312-F352 HydrophobicContact CD2-CZ 4.47Å; F312-F352 HydrophobicContact CE2-CB 3.91Å; F312-F352 HydrophobicContact CE2-CD1 4.21Å; F312-F352 AromaticContact CE2-CD2 3.69Å; F312-F352 HydrophobicContact CE2-CD2 3.69Å; F312-F352 HydrophobicContact CE2-CE2 4.26Å; F312-F352 AromaticContact CE2-CG 3.68Å; F312-F352 HydrophobicContact CE2-CG 3.68Å; F312-F354 HydrophobicContact CE2-CE2 4.36Å; F312-F354 HydrophobicContact CZ-CE2 4.09Å; F312-F354 HydrophobicContact CZ-CZ 4.25Å
313G96.9Very high92.6Very high0 Ų028.2 Ų28.20%015%0.152CC..THydrogen-bonded Turntrans86.510.9-172.800000113.9S236 G260 R311 G332S236-G313 PolarHBondContact OG-O 3.35Å; G260-G313 CarbonylContact C-O 3.56Å; G260-G313 VanDerWaalsContact CA-O 3.29Å; G260-G313 WeakPolarHBondContact CA-O 3.13Å; R311-G313 PolarHBondContact O-N 3.47Å; G313-G332 PolarHBondContact N-O 2.78Å
314H97.4Very high92.4Very high60 Ų6030.6 Ų30.628%0.27816%0.164SC..SBendtrans-64.5-40175.6-174.278.8000112.4S236 P262 R311 G332 P334 A402S236-H314 WeakPolarHBondContact CB-O 3.49Å; P262-H314 HydrophobicContact CB-CB 4.2Å; R311-H314 HydrophobicContact CB-CB 4.49Å; R311-H314 VanDerWaalsContact O-CB 3.24Å; R311-H314 WeakPolarHBondContact O-CB 3.28Å; R311-H314 PolarHBondContact O-N 3.23Å; R311-H314 VanDerWaalsContact O-N 3.16Å; H314-G332 PolarHBondContact N-O 3.07Å; H314-P334 HydrophobicContact CB-CG 3.99Å; H314-A402 PolarHBondContact CD2-O 3.06Å
315S98Very high92.3Very high11 Ų1128.9 Ų28.98%0.07717%0.166CC..EExtended strand (participates in β ladder)trans-135.4151.6170.460.90000108.8G332 G401 I404S315-G332 PolarHBondContact O-N 2.79Å; S315-G401 PolarHBondContact OG-O 2.94Å; S315-I404 WeakPolarHBondContact OG-CD1 3.26Å; S315-I404 WeakPolarHBondContact OG-CG1 3.42Å
316L98Very high92.3Very high10 Ų1031.1 Ų31.15%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-157.3153.2175.662.686.8000111.2S236 D238 A258 V283 I330 V331S236-L316 WeakPolarHBondContact OG-CD2 3.34Å; D238-L316 HydrophobicContact CB-CD1 3.67Å; A258-L316 HydrophobicContact CB-CD1 3.76Å; A258-L316 HydrophobicContact CB-CD2 4.24Å; V283-L316 HydrophobicContact CG1-CD2 4.02Å; V283-L316 HydrophobicContact CG2-CD2 4.01Å; L316-I330 CarbonylContact C-O 3.59Å; L316-I330 WeakPolarHBondContact CA-O 3.32Å; L316-I330 WeakPolarHBondContact CB-O 3.27Å; L316-V331 HydrophobicContact CB-CG2 4.42Å
317I97.4Very high92.6Very high11 Ų1127.7 Ų27.76%0.05616%0.156CC..EExtended strand (participates in β ladder)trans-145.4154172.160.1166.9000111.1D238 L319 I330 I404 K406 F418D238-I317 WeakPolarHBondContact OD2-CA 3.03Å; I317-L319 HydrophobicContact CD1-CB 4.38Å; I317-L319 HydrophobicContact CD1-CD2 4.33Å; I317-I330 HydrophobicContact CD1-CD1 4.17Å; I317-I330 HydrophobicContact CG1-CB 3.87Å; I317-I330 HydrophobicContact CG1-CD1 4.32Å; I317-I330 HydrophobicContact CG1-CG1 4.41Å; I317-I330 PolarHBondContact N-O 3.15Å; I317-I330 PolarHBondContact O-N 3.45Å; I317-I404 HydrophobicContact CD1-CG2 3.54Å; I317-I404 HydrophobicContact CG1-CG2 3.72Å; I317-I404 HydrophobicContact CG2-CG2 4.45Å; I317-K406 HydrophobicContact CB-CG 4.47Å; I317-K406 HydrophobicContact CD1-CG 3.97Å; I317-F418 HydrophobicContact CD1-CB 4.13Å
318F96.5Very high93Very high1 Ų126.1 Ų26.10%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-98.5128165-75-65.5000110.9D238 T240 L243 A258 I285 D327 D328 L329 F374 K406D238-F318 HydrophobicContact CB-CD2 4.2Å; D238-F318 PolarHBondContact OD2-N 2.78Å; T240-F318 HydrophobicContact CG2-CB 4.12Å; T240-F318 HydrophobicContact CG2-CD1 3.76Å; T240-F318 HydrophobicContact CG2-CD2 3.51Å; T240-F318 HydrophobicContact CG2-CE1 3.95Å; T240-F318 HydrophobicContact CG2-CE2 3.71Å; T240-F318 HydrophobicContact CG2-CG 3.53Å; T240-F318 HydrophobicContact CG2-CZ 3.91Å; L243-F318 HydrophobicContact CD1-CE1 4.14Å; A258-F318 HydrophobicContact CB-CE2 3.5Å; A258-F318 VanDerWaalsContact CB-CE2 3.5Å; A258-F318 HydrophobicContact CB-CZ 3.63Å; I285-F318 HydrophobicContact CD1-CZ 4.27Å; F318-D327 HydrophobicContact CB-CB 4Å; F318-D327 HydrophobicContact CD1-CB 4.47Å; F318-D328 CarbonylContact C-O 3.5Å; F318-D328 VanDerWaalsContact CA-O 3.3Å; F318-D328 WeakPolarHBondContact CA-O 3.44Å; F318-L329 HydrophobicContact CD1-CB 4.43Å; F318-L329 HydrophobicContact CD1-CD1 4.13Å; F318-L329 HydrophobicContact CE1-CB 4.25Å; F318-L329 HydrophobicContact CE1-CD1 3.82Å; F318-L329 HydrophobicContact CZ-CD1 4.2Å; F318-F374 HydrophobicContact CE1-CE2 4.18Å; F318-F374 HydrophobicContact CE1-CZ 4.4Å; F318-K406 WeakPolarHBondContact O-CE 3.23Å; F318-K406 PolarHBondContact O-NZ 2.67Å
319L95.2Very high93.6Very high6 Ų620.8 Ų20.83%0.03112%0.122CC..EExtended strand (participates in β ladder)trans-158.6128.3-176.7-172.266.2000111.6I317 I321 D328 I330 K406 Q416 D417 F418I317-L319 HydrophobicContact CD1-CB 4.38Å; I317-L319 HydrophobicContact CD1-CD2 4.33Å; L319-I321 HydrophobicContact CB-CG2 4.33Å; L319-I321 HydrophobicContact CD2-CG2 3.77Å; L319-I321 HydrophobicContact CG-CG2 3.98Å; L319-I321 PolarHBondContact O-N 2.85Å; L319-I321 VanDerWaalsContact O-N 3.12Å; L319-D328 PolarHBondContact N-O 2.92Å; L319-D328 WeakPolarHBondContact O-CA 3.44Å; L319-D328 WeakPolarHBondContact O-CB 3.42Å; L319-D328 PolarHBondContact O-N 2.84Å; L319-I330 HydrophobicContact CD2-CD1 4.47Å; L319-K406 HydrophobicContact CD1-CB 4.18Å; L319-K406 HydrophobicContact CD1-CD 4.17Å; L319-K406 HydrophobicContact CD1-CG 4.05Å; L319-Q416 HydrophobicContact CD1-CB 3.56Å; L319-Q416 HydrophobicContact CD1-CG 4.06Å; L319-Q416 HydrophobicContact CD2-CB 4.16Å; L319-Q416 HydrophobicContact CG-CB 3.79Å; L319-D417 WeakPolarHBondContact CD2-O 3.37Å; L319-F418 HydrophobicContact CD2-CB 3.85Å; L319-F418 HydrophobicContact CD2-CD1 4.38Å
320D94.3Very high94.2Very high16 Ų1620.1 Ų20.19%0.08612%0.115CC..  trans-73.791.5170.41785.1000111.3N322 G323 D324 G325 W326 D327 Q416D320-N322 PolarHBondContact OD1-N 3.31Å; D320-N322 PolarHBondContact OD1-OD1 2.88Å; D320-G323 VanDerWaalsContact OD1-CA 3.29Å; D320-G323 WeakPolarHBondContact OD1-CA 3.28Å; D320-G323 PolarHBondContact OD1-N 2.98Å; D320-D324 PolarHBondContact OD1-N 2.87Å; D320-G325 WeakPolarHBondContact OD2-CA 3.25Å; D320-G325 PolarHBondContact OD2-N 2.73Å; D320-W326 WeakPolarHBondContact CA-O 3.45Å; D320-W326 VanDerWaalsContact CB-O 3.29Å; D320-W326 WeakPolarHBondContact CB-O 3.29Å; D320-D327 PolarHBondContact N-OD1 2.91Å; D320-Q416 VanDerWaalsContact O-CB 3.25Å; D320-Q416 WeakPolarHBondContact O-CB 2.99Å; D320-Q416 WeakPolarHBondContact O-CG 3.47Å
321I94Very high94.6Very high0 Ų020.1 Ų20.10%012%0.115CC..SBendtrans-87.2-11.9-177.255158.2000113L319 D328 I330 I353 L355 F418 G436 S437 I442L319-I321 HydrophobicContact CB-CG2 4.33Å; L319-I321 HydrophobicContact CD2-CG2 3.77Å; L319-I321 HydrophobicContact CG-CG2 3.98Å; L319-I321 PolarHBondContact O-N 2.85Å; L319-I321 VanDerWaalsContact O-N 3.12Å; I321-D328 HydrophobicContact CG1-CB 4.05Å; I321-D328 WeakPolarHBondContact CG1-OD2 3.49Å; I321-D328 PolarHBondContact N-OD2 2.93Å; I321-I330 HydrophobicContact CG2-CD1 4.11Å; I321-I353 HydrophobicContact CD1-CG2 3.56Å; I321-L355 HydrophobicContact CD1-CD2 3.69Å; I321-L355 HydrophobicContact CG1-CD2 3.99Å; I321-F418 HydrophobicContact CG2-CD1 4.27Å; I321-G436 CarbonylContact O-C 3.54Å; I321-G436 VanDerWaalsContact O-CA 3.27Å; I321-G436 WeakPolarHBondContact O-CA 3.15Å; I321-S437 PolarHBondContact O-N 3.22Å; I321-I442 HydrophobicContact CB-CD1 4.2Å; I321-I442 HydrophobicContact CD1-CD1 3.63Å; I321-I442 HydrophobicContact CD1-CG1 3.7Å; I321-I442 HydrophobicContact CG1-CD1 4.47Å
322N91.5Very high94.8Very high23 Ų2316.6 Ų16.612%0.12310%0.102CC..SBendtrans-107.9-6.4-176.576.35.1000114.1D320 D324 F415 S437D320-N322 PolarHBondContact OD1-N 3.31Å; D320-N322 PolarHBondContact OD1-OD1 2.88Å; N322-D324 PolarHBondContact ND2-OD2 2.79Å; N322-D324 VanDerWaalsContact OD1-CB 3.26Å; N322-D324 WeakPolarHBondContact OD1-CB 3.46Å; N322-D324 PolarHBondContact OD1-N 2.7Å; N322-D324 PolarHBondContact OD1-OD1 3.04Å; N322-D324 PolarHBondContact OD1-OD2 3.26Å; N322-F415 VanDerWaalsContact O-CE1 3.24Å; N322-F415 WeakPolarHBondContact O-CE1 3.44Å; N322-S437 VanDerWaalsContact CA-O 3.29Å; N322-S437 WeakPolarHBondContact CA-O 3.33Å
323G90.6Very high94.9Very high44 Ų4416.6 Ų16.645%0.45410%0.102SC..SBendtrans72.823.2177.600000113.8D320D320-G323 VanDerWaalsContact OD1-CA 3.29Å; D320-G323 WeakPolarHBondContact OD1-CA 3.28Å; D320-G323 PolarHBondContact OD1-N 2.98Å
324D88.6Confident94.8Very high58 Ų5816.6 Ų16.631%0.3110%0.102SC..SBendtrans-88.3-4.1179.87911.9000113.9D320 N322 W326D320-D324 PolarHBondContact OD1-N 2.87Å; N322-D324 PolarHBondContact ND2-OD2 2.79Å; N322-D324 VanDerWaalsContact OD1-CB 3.26Å; N322-D324 WeakPolarHBondContact OD1-CB 3.46Å; N322-D324 PolarHBondContact OD1-N 2.7Å; N322-D324 PolarHBondContact OD1-OD1 3.04Å; N322-D324 PolarHBondContact OD1-OD2 3.26Å; D324-W326 WeakPolarHBondContact OD1-CB 3.39Å; D324-W326 PolarHBondContact OD1-N 2.9Å
325G88.2Confident94.6Very high35 Ų3517.2 Ų17.236%0.36110%0.103SC..SBendtrans92.4-3.5178.600000114.6D320D320-G325 WeakPolarHBondContact OD2-CA 3.25Å; D320-G325 PolarHBondContact OD2-N 2.73Å
326W88.8Confident94.3Very high53 Ų5317.3 Ų17.320%0.20110%0.102CC..SBendtrans-109.6140.6177.5-57.499.1000111.2R242 Y244 A245 D320 D324 D328 N356 Q358R242-W326 HydrophobicContact CB-CE3 4.49Å; R242-W326 WeakPolarHBondContact O-CA 3.26Å; Y244-W326 VanDerWaalsContact O-CZ3 3.25Å; Y244-W326 WeakPolarHBondContact O-CZ3 3.48Å; A245-W326 HydrophobicContact CB-CH2 3.73Å; A245-W326 HydrophobicContact CB-CZ2 4.06Å; D320-W326 WeakPolarHBondContact CA-O 3.45Å; D320-W326 VanDerWaalsContact CB-O 3.29Å; D320-W326 WeakPolarHBondContact CB-O 3.29Å; D324-W326 WeakPolarHBondContact OD1-CB 3.39Å; D324-W326 PolarHBondContact OD1-N 2.9Å; W326-D328 PolarHBondContact O-N 2.91Å; W326-N356 HydrophobicContact CB-CB 4.12Å; W326-Q358 HydrophobicContact CD2-CB 4.18Å; W326-Q358 HydrophobicContact CD2-CG 3.95Å; W326-Q358 HydrophobicContact CE3-CG 4.41Å; W326-Q358 HydrophobicContact CG-CB 4.09Å; W326-Q358 HydrophobicContact CG-CG 4.34Å; W326-Q358 HydrophobicContact CZ2-CG 4.26Å
327D93.5Very high93.5Very high20 Ų2021.4 Ų21.411%0.10712%0.117CC..  trans-78.2127.7-179.4-74.2-18.4000111T240 R242 F318 D320 N356T240-D327 VanDerWaalsContact CB-OD2 3.29Å; T240-D327 WeakPolarHBondContact CB-OD2 3.35Å; T240-D327 PolarHBondContact OG1-OD2 3.38Å; R242-D327 HydrophobicContact CB-CB 4.37Å; R242-D327 PolarHBondContact O-N 2.77Å; F318-D327 HydrophobicContact CB-CB 4Å; F318-D327 HydrophobicContact CD1-CB 4.47Å; D320-D327 PolarHBondContact N-OD1 2.91Å; D327-N356 WeakPolarHBondContact O-CB 3.17Å; D327-N356 PolarHBondContact O-ND2 3.09Å
328D95.3Very high92.2Very high0 Ų021.8 Ų21.80%012%0.121CC..EExtended strand (participates in β ladder)trans-82.9160.6169.9-52.6-64.2000110.7F318 L319 I321 W326 F354 L355 N356F318-D328 CarbonylContact C-O 3.5Å; F318-D328 VanDerWaalsContact CA-O 3.3Å; F318-D328 WeakPolarHBondContact CA-O 3.44Å; L319-D328 PolarHBondContact N-O 2.92Å; L319-D328 WeakPolarHBondContact O-CA 3.44Å; L319-D328 WeakPolarHBondContact O-CB 3.42Å; L319-D328 PolarHBondContact O-N 2.84Å; I321-D328 HydrophobicContact CG1-CB 4.05Å; I321-D328 WeakPolarHBondContact CG1-OD2 3.49Å; I321-D328 PolarHBondContact N-OD2 2.93Å; W326-D328 PolarHBondContact O-N 2.91Å; D328-F354 WeakPolarHBondContact CB-O 3.43Å; D328-L355 HydrophobicContact CB-CD2 4.42Å; D328-L355 WeakPolarHBondContact OD1-CA 3.45Å; D328-N356 PolarHBondContact OD1-N 2.81Å
329L97.3Very high90.8Very high0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-106.3126.1179.4176.969.5000111.2V283 I285 I303 F318 V331 F354 F374V283-L329 HydrophobicContact CG1-CD2 4.42Å; I285-L329 HydrophobicContact CD1-CD2 4.16Å; I303-L329 HydrophobicContact CD1-CD2 3.49Å; I303-L329 VanDerWaalsContact CD1-CD2 3.49Å; F318-L329 HydrophobicContact CD1-CB 4.43Å; F318-L329 HydrophobicContact CD1-CD1 4.13Å; F318-L329 HydrophobicContact CE1-CB 4.25Å; F318-L329 HydrophobicContact CE1-CD1 3.82Å; F318-L329 HydrophobicContact CZ-CD1 4.2Å; L329-V331 HydrophobicContact CD1-CG2 4.15Å; L329-V331 HydrophobicContact CD2-CG2 3.94Å; L329-V331 HydrophobicContact CG-CG2 3.77Å; L329-F354 HydrophobicContact CB-CB 4.35Å; L329-F354 HydrophobicContact CD2-CD2 4.21Å; L329-F354 HydrophobicContact CG-CD2 4.4Å; L329-F354 PolarHBondContact N-O 3.04Å; L329-F354 PolarHBondContact O-N 3.46Å; L329-F374 HydrophobicContact CB-CD1 4.31Å; L329-F374 HydrophobicContact CB-CD2 4.07Å; L329-F374 HydrophobicContact CB-CE1 3.94Å; L329-F374 HydrophobicContact CB-CE2 3.68Å; L329-F374 HydrophobicContact CB-CG 4.36Å; L329-F374 HydrophobicContact CB-CZ 3.61Å; L329-F374 HydrophobicContact CD2-CD2 3.91Å; L329-F374 HydrophobicContact CD2-CE2 4.13Å; L329-F374 HydrophobicContact CD2-CG 4.45Å; L329-F374 HydrophobicContact CG-CE2 4.5Å
330I98Very high89.1Confident0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-116.9127.9175.9-52.5-179.2000108.9L316 I317 L319 I321 V351 F352 I353 I404 F418L316-I330 CarbonylContact C-O 3.59Å; L316-I330 WeakPolarHBondContact CA-O 3.32Å; L316-I330 WeakPolarHBondContact CB-O 3.27Å; I317-I330 HydrophobicContact CD1-CD1 4.17Å; I317-I330 HydrophobicContact CG1-CB 3.87Å; I317-I330 HydrophobicContact CG1-CD1 4.32Å; I317-I330 HydrophobicContact CG1-CG1 4.41Å; I317-I330 PolarHBondContact N-O 3.15Å; I317-I330 PolarHBondContact O-N 3.45Å; L319-I330 HydrophobicContact CD2-CD1 4.47Å; I321-I330 HydrophobicContact CG2-CD1 4.11Å; I330-V351 HydrophobicContact CG2-CG1 3.23Å; I330-F352 CarbonylContact C-O 3.55Å; I330-F352 WeakPolarHBondContact CA-O 3.42Å; I330-I353 HydrophobicContact CG1-CG1 4.39Å; I330-I353 HydrophobicContact CG2-CG1 4.28Å; I330-I404 HydrophobicContact CG2-CD1 4.05Å; I330-I404 HydrophobicContact CG2-CG2 4.21Å; I330-F418 HydrophobicContact CD1-CD1 3.8Å; I330-F418 HydrophobicContact CD1-CD2 4.24Å; I330-F418 HydrophobicContact CD1-CE1 3.98Å; I330-F418 HydrophobicContact CD1-CE2 4.4Å; I330-F418 HydrophobicContact CD1-CG 3.94Å; I330-F418 HydrophobicContact CD1-CZ 4.27Å
331V98.4Very high87.1Confident0 Ų034.5 Ų34.50%020%0.195CC..EExtended strand (participates in β ladder)trans-130.1128.1-174.5-171.20000111.6V283 F312 L316 L329 V351 F352 F354V283-V331 HydrophobicContact CG2-CG1 3.72Å; V283-V331 HydrophobicContact CG2-CG2 4.02Å; F312-V331 HydrophobicContact CD1-CG1 4.3Å; F312-V331 HydrophobicContact CD2-CB 4.42Å; F312-V331 HydrophobicContact CD2-CG1 3.83Å; F312-V331 HydrophobicContact CE1-CG1 4.03Å; F312-V331 HydrophobicContact CE2-CB 3.72Å; F312-V331 HydrophobicContact CE2-CG1 3.52Å; F312-V331 HydrophobicContact CE2-CG2 4.33Å; F312-V331 HydrophobicContact CG-CG1 4.22Å; F312-V331 HydrophobicContact CZ-CB 3.9Å; F312-V331 HydrophobicContact CZ-CG1 3.63Å; F312-V331 HydrophobicContact CZ-CG2 4.03Å; L316-V331 HydrophobicContact CB-CG2 4.42Å; L329-V331 HydrophobicContact CD1-CG2 4.15Å; L329-V331 HydrophobicContact CD2-CG2 3.94Å; L329-V331 HydrophobicContact CG-CG2 3.77Å; V331-V351 CarbonylContact O-C 3.35Å; V331-V351 WeakPolarHBondContact O-CA 3.44Å; V331-F352 HydrophobicContact CB-CB 4.4Å; V331-F352 PolarHBondContact N-O 2.82Å; V331-F352 PolarHBondContact O-N 2.89Å; V331-F354 HydrophobicContact CG2-CD2 4.47Å; V331-F354 HydrophobicContact CG2-CE2 4.18Å
332G97.8Very high85.1Confident0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-87.4140.7176.700000113.5G313 H314 S315 G401G313-G332 PolarHBondContact N-O 2.78Å; H314-G332 PolarHBondContact N-O 3.07Å; S315-G332 PolarHBondContact O-N 2.79Å; G332-G401 WeakPolarHBondContact CA-O 3.45Å
333A96.6Very high83.2Confident0 Ų038.9 Ų38.90%024%0.237CC..EExtended strand (participates in β ladder)trans-138.778.9175.700000109.6S310 F312 Y335 Q336 G349 A350 F352S310-A333 CarbonylContact O-C 3.6Å; S310-A333 VanDerWaalsContact O-C 3.29Å; S310-A333 WeakPolarHBondContact O-CA 3.13Å; F312-A333 HydrophobicContact CB-CB 4.32Å; F312-A333 HydrophobicContact CD2-CB 4.37Å; A333-Y335 PolarHBondContact O-N 3.48Å; A333-Q336 HydrophobicContact CB-CB 3.92Å; A333-Q336 WeakPolarHBondContact O-CB 2.82Å; A333-Q336 PolarHBondContact O-N 3.26Å; A333-G349 WeakPolarHBondContact O-CA 3.37Å; A333-A350 PolarHBondContact N-O 2.92Å; A333-A350 PolarHBondContact O-N 2.89Å; A333-F352 HydrophobicContact CB-CD2 4.19Å; A333-F352 HydrophobicContact CB-CE2 3.76Å
334P95.5Very high81.5Confident1 Ų139.6 Ų39.61%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-62.6-14.1-167.821.3-32000115.9R311 H314 G349 F400 A402R311-P334 HydrophobicContact CB-CG 4.48Å; H314-P334 HydrophobicContact CB-CG 3.99Å; P334-G349 WeakPolarHBondContact O-CA 3.37Å; P334-F400 WeakPolarHBondContact CA-O 3.18Å; P334-A402 HydrophobicContact CB-CB 4.32Å
335Y92.8Very high79.8Confident73 Ų7341.6 Ų41.629%0.28625%0.252SS..EExtended strand (participates in β ladder)trans-116.79.4178.6-61.8-84000113.2G309 S310 R311 A333 Y337 H348 I397G309-Y335 WeakPolarHBondContact O-CB 3.41Å; S310-Y335 PolarHBondContact O-N 3.15Å; S310-Y335 VanDerWaalsContact O-N 3.16Å; R311-Y335 HydrophobicContact CB-CD2 4.24Å; R311-Y335 HydrophobicContact CG-CD2 4.07Å; A333-Y335 PolarHBondContact O-N 3.48Å; Y335-Y337 PolarHBondContact O-N 2.96Å; Y335-H348 PolarHBondContact O-ND1 3.44Å; Y335-H348 VanDerWaalsContact O-ND1 3.12Å; Y335-I397 HydrophobicContact CD1-CG2 3.79Å; Y335-I397 HydrophobicContact CE1-CG2 3.71Å
336Q91.5Very high78.6Confident13 Ų1346.1 Ų46.16%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-51.1126.1177178.464.728.500110.5S307 S310 A333 H348 G349 A350 F352S307-Q336 PolarHBondContact OG-NE2 3.48Å; S310-Q336 PolarHBondContact OG-OE1 3.19Å; A333-Q336 HydrophobicContact CB-CB 3.92Å; A333-Q336 WeakPolarHBondContact O-CB 2.82Å; A333-Q336 PolarHBondContact O-N 3.26Å; Q336-H348 CarbonylContact O-C 3.56Å; Q336-H348 WeakPolarHBondContact O-CA 3.02Å; Q336-G349 PolarHBondContact O-N 2.84Å; Q336-A350 HydrophobicContact CB-CB 3.6Å; Q336-A350 HydrophobicContact CG-CB 3.58Å; Q336-F352 HydrophobicContact CG-CE2 4.28Å; Q336-F352 HydrophobicContact CG-CZ 4.29Å
337Y81.4Confident78Confident96 Ų9644.5 Ų44.538%0.37625%0.252SS..EExtended strand (participates in β ladder)trans-78.7130174.2-172.8-102.7000110.3Y335 N339 R346 H348Y335-Y337 PolarHBondContact O-N 2.96Å; Y337-N339 WeakPolarHBondContact CE1-OD1 3.37Å; Y337-R346 WeakPolarHBondContact OH-CD 3.3Å; Y337-R346 PolarHBondContact OH-NH1 2.89Å; Y337-H348 AromaticContact CD2-CE1 3.62Å; Y337-H348 AromaticContact CD2-NE2 3.8Å
338S71.2Confident77.7Confident19 Ų1946 Ų4613%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-119.3139.6171.2-174.50000111.4T340S338-T340 VanDerWaalsContact C-N 3.25Å; S338-T340 PolarHBondContact O-N 3.01Å; S338-T340 PolarHBondContact OG-N 2.95Å; S338-T340 PolarHBondContact OG-OG1 3.45Å
339N65.7Low77.5Confident126 Ų12646 Ų4667%0.67426%0.258SS*.EExtended strand (participates in β ladder)trans-76-13.1173.2-78.4-23.9000112.8Y337 T341Y337-N339 WeakPolarHBondContact CE1-OD1 3.37Å; N339-T341 PolarHBondContact O-N 2.88Å
340T59.9Low77.4Confident75 Ų7546 Ų4646%0.4626%0.258SS..EExtended strand (participates in β ladder)trans-69.5117.6-178.455.50000110.7S338S338-T340 VanDerWaalsContact C-N 3.25Å; S338-T340 PolarHBondContact O-N 3.01Å; S338-T340 PolarHBondContact OG-N 2.95Å; S338-T340 PolarHBondContact OG-OG1 3.45Å
341T52.9Low77.3Confident89 Ų8946 Ų4655%0.54626%0.258SS..EExtended strand (participates in β ladder)trans-87.4123.4173.351.40000110.2N339 H345 R346N339-T341 PolarHBondContact O-N 2.88Å; T341-H345 WeakPolarHBondContact CA-O 3.37Å; T341-R346 HydrophobicContact CG2-CG 4.05Å
342V51.5Low77.2Confident41 Ų4146 Ų4625%0.24826%0.258CS..EExtended strand (participates in β ladder)trans-116.1123.5176.4-179.40000107.2G344 H345V342-G344 PolarHBondContact O-N 2.8Å; V342-G344 VanDerWaalsContact O-N 3.14Å; V342-H345 PolarHBondContact N-O 2.87Å; V342-H345 PolarHBondContact O-N 3Å; V342-H345 VanDerWaalsContact O-N 3.1Å
343G51.7Low77.1Confident73 Ų7346.1 Ų46.175%0.75326%0.259SS*.THydrogen-bonded Turntrans62.318-172.400000114.4
344G54.2Low77.1Confident59 Ų5946.1 Ų46.161%0.60826%0.259SS*.THydrogen-bonded Turntrans844.3-175.400000115.1V342V342-G344 PolarHBondContact O-N 2.8Å; V342-G344 VanDerWaalsContact O-N 3.14Å
345H53.5Low76.9Confident100 Ų10047 Ų4746%0.46326%0.263SS..EExtended strand (participates in β ladder)trans-120147.9-179.9-60.90.2000110.9T341 V342T341-H345 WeakPolarHBondContact CA-O 3.37Å; V342-H345 PolarHBondContact N-O 2.87Å; V342-H345 PolarHBondContact O-N 3Å; V342-H345 VanDerWaalsContact O-N 3.1Å
346R64.1Low76.7Confident131 Ų13143.7 Ų43.749%0.49425%0.25SS..EExtended strand (participates in β ladder)trans-88.7129.4177.8-66.4-176.8-177.5164.15.5109.1Y337 T341Y337-R346 WeakPolarHBondContact OH-CD 3.3Å; Y337-R346 PolarHBondContact OH-NH1 2.89Å; T341-R346 HydrophobicContact CG2-CG 4.05Å
347R76Confident76Confident19 Ų1943.9 Ų43.97%0.07225%0.251CS..EExtended strand (participates in β ladder)trans-112.9141.3-179.4-57.2-174.577.4-156.91.2110.6P387 P388 S395 E425R347-P387 PolarHBondContact NH1-O 3.41Å; R347-P388 PolarHBondContact NH1-O 3.31Å; R347-S395 PolarHBondContact NE-O 3.42Å; R347-E425 IonicContact CZ-OE1 3.71Å; R347-E425 IonicContact CZ-OE2 3.67Å; R347-E425 IonicContact NH2-OE1 2.7Å; R347-E425 PolarHBondContact NH2-OE1 3.33Å; R347-E425 IonicContact NH2-OE2 3.69Å; R347-E425 PolarHBondContact NH2-OE2 3.34Å
348H85.7Confident75.5Confident50 Ų5039.8 Ų39.823%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-93.2157174.6-74-110.2000112Y335 Q336 Y337 H396 I397 P398Y335-H348 PolarHBondContact O-ND1 3.44Å; Y335-H348 VanDerWaalsContact O-ND1 3.12Å; Q336-H348 CarbonylContact O-C 3.56Å; Q336-H348 WeakPolarHBondContact O-CA 3.02Å; Y337-H348 AromaticContact CD2-CE1 3.62Å; Y337-H348 AromaticContact CD2-NE2 3.8Å; H348-H396 PolarHBondContact N-O 3.35Å; H348-I397 HydrophobicContact CB-CG1 4.35Å; H348-I397 HydrophobicContact CB-CG2 4.32Å; H348-P398 VanDerWaalsContact O-CD 3.26Å; H348-P398 WeakPolarHBondContact O-CD 3.29Å; H348-P398 WeakPolarHBondContact O-CG 3.34Å
349G91.8Very high75Confident0 Ų042.3 Ų42.30%025%0.252CS..EExtended strand (participates in β ladder)trans105.4135.2176.100000112.3A333 P334 Q336 P387 F400A333-G349 WeakPolarHBondContact O-CA 3.37Å; P334-G349 WeakPolarHBondContact O-CA 3.37Å; Q336-G349 PolarHBondContact O-N 2.84Å; G349-P387 VanDerWaalsContact O-CD 3.25Å; G349-P387 WeakPolarHBondContact O-CD 3.43Å; G349-F400 CarbonylContact C-O 3.59Å; G349-F400 VanDerWaalsContact CA-O 3.31Å; G349-F400 WeakPolarHBondContact CA-O 3.5Å
350A94.4Very high74.6Confident0 Ų043.5 Ų43.50%025%0.249CC..EExtended strand (participates in β ladder)trans-150.3159.9177.300000112A333 Q336 F352 I384 I385 T386 F400A333-A350 PolarHBondContact N-O 2.92Å; A333-A350 PolarHBondContact O-N 2.89Å; Q336-A350 HydrophobicContact CB-CB 3.6Å; Q336-A350 HydrophobicContact CG-CB 3.58Å; A350-F352 HydrophobicContact CB-CE2 4.15Å; A350-I384 HydrophobicContact CB-CG2 3.91Å; A350-I385 CarbonylContact C-O 3.6Å; A350-I385 WeakPolarHBondContact CA-O 3.01Å; A350-T386 HydrophobicContact CB-CG2 4.35Å; A350-F400 PolarHBondContact N-O 2.84Å
351V96.8Very high74.4Confident1 Ų141.8 Ų41.81%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-120.8129.8165.7173.20000108.2I330 V331 I353 I385 F400 I404 V420I330-V351 HydrophobicContact CG2-CG1 3.23Å; V331-V351 CarbonylContact O-C 3.35Å; V331-V351 WeakPolarHBondContact O-CA 3.44Å; V351-I353 HydrophobicContact CG1-CG1 4.33Å; V351-I385 PolarHBondContact N-O 2.84Å; V351-I385 PolarHBondContact O-N 2.84Å; V351-F400 HydrophobicContact CB-CE1 4.08Å; V351-F400 HydrophobicContact CG2-CD1 4.26Å; V351-F400 HydrophobicContact CG2-CE1 3.67Å; V351-F400 HydrophobicContact CG2-CZ 4.15Å; V351-I404 HydrophobicContact CG1-CD1 4.14Å; V351-I404 HydrophobicContact CG2-CD1 4.05Å; V351-I404 HydrophobicContact CG2-CG1 4.44Å; V351-V420 HydrophobicContact CG2-CB 4.45Å; V351-V420 HydrophobicContact CG2-CG1 3.66Å; V351-V420 HydrophobicContact CG2-CG2 3.91Å
352F96.5Very high74.2Confident0 Ų048.5 Ų48.50%025%0.252CS..EExtended strand (participates in β ladder)trans-99.4129.5176.2-68.2-104.6000108.5Q306 F312 I330 V331 A333 Q336 A350 F354 Y376 Q383 I384Q306-F352 HydrophobicContact CG-CE1 4.26Å; F312-F352 AromaticContact CD2-CD2 3.69Å; F312-F352 HydrophobicContact CD2-CD2 3.69Å; F312-F352 AromaticContact CD2-CE2 3.89Å; F312-F352 HydrophobicContact CD2-CE2 3.89Å; F312-F352 HydrophobicContact CD2-CG 4.15Å; F312-F352 HydrophobicContact CD2-CZ 4.47Å; F312-F352 HydrophobicContact CE2-CB 3.91Å; F312-F352 HydrophobicContact CE2-CD1 4.21Å; F312-F352 AromaticContact CE2-CD2 3.69Å; F312-F352 HydrophobicContact CE2-CD2 3.69Å; F312-F352 HydrophobicContact CE2-CE2 4.26Å; F312-F352 AromaticContact CE2-CG 3.68Å; F312-F352 HydrophobicContact CE2-CG 3.68Å; I330-F352 CarbonylContact C-O 3.55Å; I330-F352 WeakPolarHBondContact CA-O 3.42Å; V331-F352 HydrophobicContact CB-CB 4.4Å; V331-F352 PolarHBondContact N-O 2.82Å; V331-F352 PolarHBondContact O-N 2.89Å; A333-F352 HydrophobicContact CB-CD2 4.19Å; A333-F352 HydrophobicContact CB-CE2 3.76Å; Q336-F352 HydrophobicContact CG-CE2 4.28Å; Q336-F352 HydrophobicContact CG-CZ 4.29Å; A350-F352 HydrophobicContact CB-CE2 4.15Å; F352-F354 HydrophobicContact CB-CD2 4.49Å; F352-F354 HydrophobicContact CB-CE2 3.71Å; F352-F354 HydrophobicContact CB-CZ 4.12Å; F352-F354 HydrophobicContact CD1-CZ 4.44Å; F352-Y376 AromaticContact CD1-CE1 3.87Å; F352-Y376 HydrophobicContact CD1-CE1 3.87Å; F352-Y376 WeakPolarHBondContact CD1-OH 3.11Å; F352-Y376 HydrophobicContact CE1-CE1 4.01Å; F352-Y376 WeakPolarHBondContact CE1-OH 3.11Å; F352-Q383 WeakPolarHBondContact CA-O 3.42Å; F352-I384 HydrophobicContact CD1-CD1 4.02Å; F352-I384 HydrophobicContact CD1-CG1 3.68Å; F352-I384 HydrophobicContact CE1-CD1 3.46Å; F352-I384 VanDerWaalsContact CE1-CD1 3.46Å; F352-I384 HydrophobicContact CE1-CG1 3.65Å; F352-I384 HydrophobicContact CE1-CG2 4.35Å; F352-I384 HydrophobicContact CZ-CD1 4.17Å; F352-I384 HydrophobicContact CZ-CG1 4.43Å; F352-I384 HydrophobicContact CZ-CG2 4.35Å
353I96.4Very high74.1Confident2 Ų250.8 Ų50.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-115.4128.2177.2-56.9-173.5000107.1I321 I330 V351 Y382 Q383 I385 F418 I442I321-I353 HydrophobicContact CD1-CG2 3.56Å; I330-I353 HydrophobicContact CG1-CG1 4.39Å; I330-I353 HydrophobicContact CG2-CG1 4.28Å; V351-I353 HydrophobicContact CG1-CG1 4.33Å; I353-Y382 CarbonylContact O-C 3.6Å; I353-Y382 WeakPolarHBondContact O-CA 3.37Å; I353-Y382 WeakPolarHBondContact O-CB 3.47Å; I353-Q383 HydrophobicContact CB-CB 4.37Å; I353-Q383 PolarHBondContact N-O 2.77Å; I353-Q383 PolarHBondContact O-N 2.88Å; I353-I385 HydrophobicContact CD1-CD1 3.49Å; I353-I385 VanDerWaalsContact CD1-CD1 3.49Å; I353-I385 HydrophobicContact CD1-CG1 4.3Å; I353-I385 HydrophobicContact CG1-CD1 4.36Å; I353-F418 HydrophobicContact CD1-CE1 4.29Å; I353-F418 HydrophobicContact CD1-CZ 3.83Å; I353-I442 HydrophobicContact CD1-CB 3.85Å; I353-I442 HydrophobicContact CD1-CG1 3.39Å; I353-I442 HydrophobicContact CD1-CG2 4.37Å
354F94.9Very high74Confident1 Ų148.7 Ų48.70%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-120.5113.4174.9-57.1-89.6000108.1I303 F312 D328 L329 V331 F352 F374 Y376I303-F354 HydrophobicContact CG2-CE1 4.34Å; I303-F354 HydrophobicContact CG2-CE2 4.32Å; I303-F354 HydrophobicContact CG2-CZ 3.83Å; F312-F354 HydrophobicContact CE2-CE2 4.36Å; F312-F354 HydrophobicContact CZ-CE2 4.09Å; F312-F354 HydrophobicContact CZ-CZ 4.25Å; D328-F354 WeakPolarHBondContact CB-O 3.43Å; L329-F354 HydrophobicContact CB-CB 4.35Å; L329-F354 HydrophobicContact CD2-CD2 4.21Å; L329-F354 HydrophobicContact CG-CD2 4.4Å; L329-F354 PolarHBondContact N-O 3.04Å; L329-F354 PolarHBondContact O-N 3.46Å; V331-F354 HydrophobicContact CG2-CD2 4.47Å; V331-F354 HydrophobicContact CG2-CE2 4.18Å; F352-F354 HydrophobicContact CB-CD2 4.49Å; F352-F354 HydrophobicContact CB-CE2 3.71Å; F352-F354 HydrophobicContact CB-CZ 4.12Å; F352-F354 HydrophobicContact CD1-CZ 4.44Å; F354-F374 HydrophobicContact CB-CB 3.81Å; F354-F374 HydrophobicContact CB-CD1 3.48Å; F354-F374 VanDerWaalsContact CB-CD1 3.48Å; F354-F374 HydrophobicContact CB-CE1 4.27Å; F354-F374 HydrophobicContact CB-CG 3.85Å; F354-F374 HydrophobicContact CD1-CB 4.24Å; F354-F374 HydrophobicContact CG-CB 4.12Å; F354-F374 WeakPolarHBondContact O-CE1 3.36Å; F354-Y376 HydrophobicContact CE1-CD1 4.05Å; F354-Y376 AromaticContact CE1-CE1 3.72Å; F354-Y376 HydrophobicContact CE1-CE1 3.72Å; F354-Y376 HydrophobicContact CE1-CE2 4.2Å; F354-Y376 HydrophobicContact CE1-CG 4.45Å; F354-Y376 AromaticContact CE1-CZ 3.82Å; F354-Y376 AromaticContact CZ-CE1 3.8Å; F354-Y376 HydrophobicContact CZ-CE1 3.8Å; F354-Y376 HydrophobicContact CZ-CE2 4.16Å; F354-Y376 AromaticContact CZ-CZ 3.57Å
355L92Very high73.8Confident19 Ų1948.5 Ų48.510%0.09923%0.226CC..  trans-70.8136.6175.5-63.6178.1000110I321 D328 R357 T381I321-L355 HydrophobicContact CD1-CD2 3.69Å; I321-L355 HydrophobicContact CG1-CD2 3.99Å; D328-L355 HydrophobicContact CB-CD2 4.42Å; D328-L355 WeakPolarHBondContact OD1-CA 3.45Å; L355-R357 WeakPolarHBondContact O-CG 3.5Å; L355-R357 PolarHBondContact O-N 2.91Å; L355-T381 PolarHBondContact N-O 2.92Å
356N88.7Confident73.5Confident3 Ų350.2 Ų50.22%0.01624%0.239CC..  trans-69.5117.3175.3-169.9-26.2000109.1L243 W326 D327 D328 Q358 L373 F374L243-N356 PolarHBondContact O-ND2 3.16Å; W326-N356 HydrophobicContact CB-CB 4.12Å; D327-N356 WeakPolarHBondContact O-CB 3.17Å; D327-N356 PolarHBondContact O-ND2 3.09Å; D328-N356 PolarHBondContact OD1-N 2.81Å; N356-Q358 PolarHBondContact O-N 2.83Å; N356-Q358 VanDerWaalsContact OD1-CB 3.26Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.42Å; N356-Q358 PolarHBondContact OD1-N 3.17Å; N356-L373 WeakPolarHBondContact OD1-CD1 3.44Å; N356-F374 HydrophobicContact CB-CE1 4.05Å
357R77Confident72.8Confident18 Ų1852 Ų527%0.06825%0.253CS..G310 helixtrans-86.410.6-175.7-59.4-176.967.7-158.611113.3L355 S359 Y360 F361 L373 H378 T381L355-R357 WeakPolarHBondContact O-CG 3.5Å; L355-R357 PolarHBondContact O-N 2.91Å; R357-S359 PolarHBondContact O-N 3.23Å; R357-S359 VanDerWaalsContact O-N 3.08Å; R357-Y360 HydrophobicContact CB-CD2 4.16Å; R357-Y360 WeakPolarHBondContact O-CB 2.98Å; R357-Y360 PolarHBondContact O-N 2.87Å; R357-F361 HydrophobicContact CB-CE2 3.9Å; R357-F361 WeakPolarHBondContact O-CD2 3.08Å; R357-F361 WeakPolarHBondContact O-CE2 3.36Å; R357-L373 WeakPolarHBondContact CG-O 3.04Å; R357-H378 VanDerWaalsContact CZ-CG 3.49Å; R357-H378 PolarHBondContact NH1-CD2 2.77Å; R357-H378 PolarHBondContact NH1-NE2 2.89Å; R357-H378 PolarHBondContact NH2-CD2 3.03Å; R357-H378 PolarHBondContact NH2-CE1 2.98Å; R357-H378 PolarHBondContact NH2-ND1 3.09Å; R357-H378 PolarHBondContact NH2-NE2 2.84Å; R357-T381 HydrophobicContact CG-CG2 3.79Å
358Q70Confident71.3Confident9 Ų957.5 Ų57.54%0.04229%0.288CS..G310 helixtrans-53.2-32.2-177.7-17659.737.800113Y244 W326 N356 Y360 F361Y244-Q358 VanDerWaalsContact CD1-OE1 3.29Å; W326-Q358 HydrophobicContact CD2-CB 4.18Å; W326-Q358 HydrophobicContact CD2-CG 3.95Å; W326-Q358 HydrophobicContact CE3-CG 4.41Å; W326-Q358 HydrophobicContact CG-CB 4.09Å; W326-Q358 HydrophobicContact CG-CG 4.34Å; W326-Q358 HydrophobicContact CZ2-CG 4.26Å; N356-Q358 PolarHBondContact O-N 2.83Å; N356-Q358 VanDerWaalsContact OD1-CB 3.26Å; N356-Q358 WeakPolarHBondContact OD1-CB 3.42Å; N356-Q358 PolarHBondContact OD1-N 3.17Å; Q358-Y360 PolarHBondContact O-N 2.69Å; Q358-Y360 VanDerWaalsContact O-N 3.12Å; Q358-F361 PolarHBondContact NE2-O 2.78Å; Q358-F361 CarbonylContact O-C 3.52Å; Q358-F361 WeakPolarHBondContact O-CA 3.4Å; Q358-F361 PolarHBondContact O-N 3.44Å
359S61.9Low69.7Low72 Ų7258 Ų5850%0.50330%0.297SS..G310 helixtrans-58.3-22.1175.453.10000114.4R357R357-S359 PolarHBondContact O-N 3.23Å; R357-S359 VanDerWaalsContact O-N 3.08Å
360Y57.3Low67.9Low152 Ų15261.6 Ų61.660%0.59633%0.334SS*.G310 helixtrans-86-5.5173.1-63.3-84.4000113.6R357 Q358R357-Y360 HydrophobicContact CB-CD2 4.16Å; R357-Y360 WeakPolarHBondContact O-CB 2.98Å; R357-Y360 PolarHBondContact O-N 2.87Å; Q358-Y360 PolarHBondContact O-N 2.69Å; Q358-Y360 VanDerWaalsContact O-N 3.12Å
361F55.1Low66.2Low38 Ų3866.1 Ų66.117%0.16736%0.358CS..  trans-124.5108.9-173.8-56.7-74.8000111.4R357 Q358 T363 V365 L371R357-F361 HydrophobicContact CB-CE2 3.9Å; R357-F361 WeakPolarHBondContact O-CD2 3.08Å; R357-F361 WeakPolarHBondContact O-CE2 3.36Å; Q358-F361 PolarHBondContact NE2-O 2.78Å; Q358-F361 CarbonylContact O-C 3.52Å; Q358-F361 WeakPolarHBondContact O-CA 3.4Å; Q358-F361 PolarHBondContact O-N 3.44Å; F361-T363 PolarHBondContact O-N 3.16Å; F361-V365 HydrophobicContact CB-CG2 4.14Å; F361-V365 HydrophobicContact CD1-CG2 3.65Å; F361-V365 HydrophobicContact CE1-CG2 4.25Å; F361-V365 HydrophobicContact CG-CG2 3.95Å; F361-L371 HydrophobicContact CE1-CB 4.35Å; F361-L371 HydrophobicContact CE1-CD2 3.81Å; F361-L371 HydrophobicContact CZ-CB 4.25Å; F361-L371 HydrophobicContact CZ-CD2 3.71Å
362Y48.4Very low65Low230 Ų23070.4 Ų70.490%0.90238%0.378SS*.SBendtrans-75.1-3.3-179.3-66.5-76.7000114.7
363T50.8Low64.2Low89 Ų8970.7 Ų70.755%0.54638%0.379SS..SBendtrans-144.3148.6176.6520000109.7F361 V365F361-T363 PolarHBondContact O-N 3.16Å; T363-V365 PolarHBondContact O-N 2.98Å; T363-V365 VanDerWaalsContact O-N 3.1Å
364P49.4Very low63.8Low29 Ų2970.7 Ų70.719%0.18838%0.379CS..  trans-52121.2162.1-22.234.8000107.6A245 L247 D366A245-P364 VanDerWaalsContact O-CG 3.23Å; A245-P364 WeakPolarHBondContact O-CG 3.18Å; L247-P364 HydrophobicContact CD2-CB 3.96Å; L247-P364 HydrophobicContact CD2-CG 3.93Å; L247-P364 HydrophobicContact CG-CG 4.49Å; P364-D366 PolarHBondContact O-N 2.98Å; P364-D366 VanDerWaalsContact O-N 3.17Å
365V50.1Low63.2Low56 Ų5671 Ų7134%0.33938%0.381SS..  trans-70.9112.5-169.6173.40000108.7F361 T363 S369F361-V365 HydrophobicContact CB-CG2 4.14Å; F361-V365 HydrophobicContact CD1-CG2 3.65Å; F361-V365 HydrophobicContact CE1-CG2 4.25Å; F361-V365 HydrophobicContact CG-CG2 3.95Å; T363-V365 PolarHBondContact O-N 2.98Å; T363-V365 VanDerWaalsContact O-N 3.1Å; V365-S369 WeakPolarHBondContact CG1-OG 3.38Å
366D46.1Very low62.8Low136 Ų13672.5 Ų72.573%0.72739%0.386SS*.  trans-52.4145.5162.3-92-27.7000109P364 V368P364-D366 PolarHBondContact O-N 2.98Å; P364-D366 VanDerWaalsContact O-N 3.17Å; D366-V368 HydrophobicContact CB-CG2 4.36Å; D366-V368 PolarHBondContact O-N 3.1Å
367E49.6Very low62.4Low168 Ų16878.4 Ų78.479%0.78542%0.418SS*.THydrogen-bonded Turntrans-46.2-4.8-178.1-88.7172.2174.800116.4K298K298-E367 IonicContact NZ-OE1 2.74Å; K298-E367 PolarHBondContact NZ-OE1 3.4Å
368V44.7Very low62.4Low135 Ų13580.2 Ų80.282%0.81843%0.427SS*.THydrogen-bonded Turntrans-80.9-26.8-169.3-171.80000114.3D366D366-V368 HydrophobicContact CB-CG2 4.36Å; D366-V368 PolarHBondContact O-N 3.1Å
369S51.1Low62.6Low59 Ų5983.6 Ų83.641%0.41345%0.449SS..SBendtrans-86.4-16.3-170.370.30000115.6V365 L371V365-S369 WeakPolarHBondContact CG1-OG 3.38Å; S369-L371 WeakPolarHBondContact O-CD1 3.38Å; S369-L371 PolarHBondContact O-N 2.91Å; S369-L371 VanDerWaalsContact O-N 3.17Å
370G54.5Low63.4Low76 Ų7684.6 Ų84.678%0.78445%0.446SS*.  trans63.713.4-179.100000115.2
371L59.1Low64.5Low95 Ų9577.8 Ų77.850%0.49742%0.42SS..  trans-89.3136.6176.4-91.784.4000112F361 S369F361-L371 HydrophobicContact CE1-CB 4.35Å; F361-L371 HydrophobicContact CE1-CD2 3.81Å; F361-L371 HydrophobicContact CZ-CB 4.25Å; F361-L371 HydrophobicContact CZ-CD2 3.71Å; S369-L371 WeakPolarHBondContact O-CD1 3.38Å; S369-L371 PolarHBondContact O-N 2.91Å; S369-L371 VanDerWaalsContact O-N 3.17Å
372E71.5Confident66.2Low91 Ų9178.6 Ų78.643%0.42542%0.423SS..  trans-91.8133.1177.7-67.1172168.200111.4M301 S375M301-E372 HydrophobicContact CE-CB 4.35Å; E372-S375 WeakPolarHBondContact OE2-CB 3.32Å; E372-S375 PolarHBondContact OE2-OG 3.03Å
373L79.2Confident68.3Low7 Ų769.8 Ų69.84%0.03739%0.39CS..SBendtrans-61.8-45.2177.8-171.372.1000112.2L243 Y244 M301 N356 R357L243-L373 HydrophobicContact CD1-CD2 3.36Å; L243-L373 HydrophobicContact CD2-CD2 4.04Å; L243-L373 HydrophobicContact CG-CD2 3.43Å; L243-L373 VanDerWaalsContact CG-CD2 3.43Å; Y244-L373 HydrophobicContact CE1-CD1 3.94Å; Y244-L373 HydrophobicContact CE1-CD2 4.23Å; Y244-L373 HydrophobicContact CE2-CD2 3.99Å; M301-L373 HydrophobicContact SD-CB 4.12Å; N356-L373 WeakPolarHBondContact OD1-CD1 3.44Å; R357-L373 WeakPolarHBondContact CG-O 3.04Å
374F88.3Confident70.3Confident2 Ų268.5 Ų68.51%0.00938%0.379CS..SBendtrans-114.4119.2172.6-57.3-55.1000108.4L243 I285 M301 I303 F318 L329 F354 N356L243-F374 HydrophobicContact CD1-CE2 3.61Å; L243-F374 HydrophobicContact CD1-CZ 3.52Å; I285-F374 HydrophobicContact CD1-CD2 3.74Å; I285-F374 HydrophobicContact CD1-CE2 3.74Å; M301-F374 HydrophobicContact CE-CB 3.92Å; M301-F374 HydrophobicContact CE-CD2 4.35Å; M301-F374 VanDerWaalsContact CE-O 3.26Å; M301-F374 WeakPolarHBondContact CE-O 3.36Å; M301-F374 HydrophobicContact SD-CD2 3.98Å; I303-F374 HydrophobicContact CD1-CB 3.72Å; I303-F374 HydrophobicContact CD1-CD2 4.14Å; I303-F374 HydrophobicContact CD1-CG 4.35Å; F318-F374 HydrophobicContact CE1-CE2 4.18Å; F318-F374 HydrophobicContact CE1-CZ 4.4Å; L329-F374 HydrophobicContact CB-CD1 4.31Å; L329-F374 HydrophobicContact CB-CD2 4.07Å; L329-F374 HydrophobicContact CB-CE1 3.94Å; L329-F374 HydrophobicContact CB-CE2 3.68Å; L329-F374 HydrophobicContact CB-CG 4.36Å; L329-F374 HydrophobicContact CB-CZ 3.61Å; L329-F374 HydrophobicContact CD2-CD2 3.91Å; L329-F374 HydrophobicContact CD2-CE2 4.13Å; L329-F374 HydrophobicContact CD2-CG 4.45Å; L329-F374 HydrophobicContact CG-CE2 4.5Å; F354-F374 HydrophobicContact CB-CB 3.81Å; F354-F374 HydrophobicContact CB-CD1 3.48Å; F354-F374 VanDerWaalsContact CB-CD1 3.48Å; F354-F374 HydrophobicContact CB-CE1 4.27Å; F354-F374 HydrophobicContact CB-CG 3.85Å; F354-F374 HydrophobicContact CD1-CB 4.24Å; F354-F374 HydrophobicContact CG-CB 4.12Å; F354-F374 WeakPolarHBondContact O-CE1 3.36Å; N356-F374 HydrophobicContact CB-CE1 4.05Å
375S81.5Confident72.3Confident6 Ų667.7 Ų67.74%0.04237%0.373CS..  trans-146.8146.4-174.7-164.50000112.3E372 N377E372-S375 WeakPolarHBondContact OE2-CB 3.32Å; E372-S375 PolarHBondContact OE2-OG 3.03Å; S375-N377 VanDerWaalsContact C-N 3.27Å; S375-N377 PolarHBondContact OG-N 3.14Å; S375-N377 PolarHBondContact OG-ND2 2.96Å
376Y83.9Confident74.1Confident51 Ų5167 Ų6720%0.237%0.369CS..THydrogen-bonded Turntrans-76.1-13.6169.9-70-68.9000113.3I303 E304 Q306 F352 F354 H378 Y382I303-Y376 HydrophobicContact CG2-CE2 4.07Å; E304-Y376 WeakPolarHBondContact O-CE2 3.39Å; E304-Y376 PolarHBondContact O-OH 2.91Å; Q306-Y376 HydrophobicContact CG-CE1 3.99Å; Q306-Y376 HydrophobicContact CG-CE2 4.25Å; F352-Y376 AromaticContact CD1-CE1 3.87Å; F352-Y376 HydrophobicContact CD1-CE1 3.87Å; F352-Y376 WeakPolarHBondContact CD1-OH 3.11Å; F352-Y376 HydrophobicContact CE1-CE1 4.01Å; F352-Y376 WeakPolarHBondContact CE1-OH 3.11Å; F354-Y376 HydrophobicContact CE1-CD1 4.05Å; F354-Y376 AromaticContact CE1-CE1 3.72Å; F354-Y376 HydrophobicContact CE1-CE1 3.72Å; F354-Y376 HydrophobicContact CE1-CE2 4.2Å; F354-Y376 HydrophobicContact CE1-CG 4.45Å; F354-Y376 AromaticContact CE1-CZ 3.82Å; F354-Y376 AromaticContact CZ-CE1 3.8Å; F354-Y376 HydrophobicContact CZ-CE1 3.8Å; F354-Y376 HydrophobicContact CZ-CE2 4.16Å; F354-Y376 AromaticContact CZ-CZ 3.57Å; Y376-H378 PolarHBondContact O-N 3.01Å; Y376-H378 VanDerWaalsContact O-N 3.15Å; Y376-Y382 HydrophobicContact CD1-CD1 4.32Å; Y376-Y382 AromaticContact CD1-CD2 3.98Å; Y376-Y382 HydrophobicContact CD1-CD2 3.98Å; Y376-Y382 HydrophobicContact CD1-CE1 4.32Å; Y376-Y382 AromaticContact CD1-CE2 3.99Å; Y376-Y382 HydrophobicContact CD1-CE2 3.99Å; Y376-Y382 HydrophobicContact CD1-CG 4.17Å; Y376-Y382 HydrophobicContact CE1-CD2 4.29Å; Y376-Y382 HydrophobicContact CE1-CE2 4.45Å; Y376-Y382 WeakPolarHBondContact O-CE1 3.26Å
377N80.9Confident76Confident128 Ų12860.7 Ų60.768%0.68434%0.335SS*.THydrogen-bonded Turntrans-70.1-9.9-177.3-67.1-34000113.4S375S375-N377 VanDerWaalsContact C-N 3.27Å; S375-N377 PolarHBondContact OG-N 3.14Å; S375-N377 PolarHBondContact OG-ND2 2.96Å
378H78Confident77.5Confident55 Ų5554.2 Ų54.226%0.25531%0.308SS..  trans-124.885.9-174.7-70.3-76.8000110.3R357 Y376 E380 T381 Y382R357-H378 VanDerWaalsContact CZ-CG 3.49Å; R357-H378 PolarHBondContact NH1-CD2 2.77Å; R357-H378 PolarHBondContact NH1-NE2 2.89Å; R357-H378 PolarHBondContact NH2-CD2 3.03Å; R357-H378 PolarHBondContact NH2-CE1 2.98Å; R357-H378 PolarHBondContact NH2-ND1 3.09Å; R357-H378 PolarHBondContact NH2-NE2 2.84Å; Y376-H378 PolarHBondContact O-N 3.01Å; Y376-H378 VanDerWaalsContact O-N 3.15Å; H378-E380 WeakPolarHBondContact CB-OE1 2.98Å; H378-E380 IonicContact CG-OE1 3.78Å; H378-E380 IonicContact ND1-OE1 3.82Å; H378-E380 PolarHBondContact ND1-OE1 3.12Å; H378-E380 PolarHBondContact O-N 2.87Å; H378-E380 VanDerWaalsContact O-N 3.1Å; H378-T381 HydrophobicContact CB-CG2 4.1Å; H378-T381 VanDerWaalsContact CB-OG1 3.25Å; H378-T381 WeakPolarHBondContact CB-OG1 3.41Å; H378-T381 PolarHBondContact O-N 2.78Å; H378-T381 PolarHBondContact O-OG1 2.86Å; H378-Y382 WeakPolarHBondContact O-CD1 3.02Å; H378-Y382 PolarHBondContact O-N 2.92Å
379P74.2Confident79Confident80 Ų8051.2 Ų51.252%0.51929%0.293SS..THydrogen-bonded Turntrans-60.8-19.1-176.224-33.1000114.6T381 Y382 K441P379-T381 VanDerWaalsContact C-N 3.32Å; P379-Y382 VanDerWaalsContact CA-CE1 3.43Å; P379-Y382 HydrophobicContact CB-CE1 4Å; P379-Y382 VanDerWaalsContact O-O 3.07Å; P379-K441 PolarHBondContact O-NZ 1.99Å
380E76.7Confident80.2Confident94 Ų9449.2 Ų49.244%0.43928%0.277SS..THydrogen-bonded Turntrans-68.4-30.4169.566.4-74177.900112.6H378 K441H378-E380 WeakPolarHBondContact CB-OE1 2.98Å; H378-E380 IonicContact CG-OE1 3.78Å; H378-E380 IonicContact ND1-OE1 3.82Å; H378-E380 PolarHBondContact ND1-OE1 3.12Å; H378-E380 PolarHBondContact O-N 2.87Å; H378-E380 VanDerWaalsContact O-N 3.1Å; E380-K441 VanDerWaalsContact O-CE 3.27Å; E380-K441 WeakPolarHBondContact O-CE 3.29Å; E380-K441 PolarHBondContact O-NZ 3.39Å
381T82.3Confident81.1Confident8 Ų851.5 Ų51.55%0.04927%0.271CS..THydrogen-bonded Turntrans-102.40.2-175.170.80000114.4L355 R357 H378 P379L355-T381 PolarHBondContact N-O 2.92Å; R357-T381 HydrophobicContact CG-CG2 3.79Å; H378-T381 HydrophobicContact CB-CG2 4.1Å; H378-T381 VanDerWaalsContact CB-OG1 3.25Å; H378-T381 WeakPolarHBondContact CB-OG1 3.41Å; H378-T381 PolarHBondContact O-N 2.78Å; H378-T381 PolarHBondContact O-OG1 2.86Å; P379-T381 VanDerWaalsContact C-N 3.32Å
382Y90.3Very high82.1Confident55 Ų5547 Ų4722%0.21625%0.248CC..EExtended strand (participates in β ladder)trans-128.4158.216984-90.1000112I353 Y376 H378 P379 I384 K441I353-Y382 CarbonylContact O-C 3.6Å; I353-Y382 WeakPolarHBondContact O-CA 3.37Å; I353-Y382 WeakPolarHBondContact O-CB 3.47Å; Y376-Y382 HydrophobicContact CD1-CD1 4.32Å; Y376-Y382 AromaticContact CD1-CD2 3.98Å; Y376-Y382 HydrophobicContact CD1-CD2 3.98Å; Y376-Y382 HydrophobicContact CD1-CE1 4.32Å; Y376-Y382 AromaticContact CD1-CE2 3.99Å; Y376-Y382 HydrophobicContact CD1-CE2 3.99Å; Y376-Y382 HydrophobicContact CD1-CG 4.17Å; Y376-Y382 HydrophobicContact CE1-CD2 4.29Å; Y376-Y382 HydrophobicContact CE1-CE2 4.45Å; Y376-Y382 WeakPolarHBondContact O-CE1 3.26Å; H378-Y382 WeakPolarHBondContact O-CD1 3.02Å; H378-Y382 PolarHBondContact O-N 2.92Å; P379-Y382 VanDerWaalsContact CA-CE1 3.43Å; P379-Y382 HydrophobicContact CB-CE1 4Å; P379-Y382 VanDerWaalsContact O-O 3.07Å; Y382-I384 HydrophobicContact CD2-CG1 4.26Å; Y382-I384 HydrophobicContact CE2-CD1 4.2Å; Y382-I384 HydrophobicContact CE2-CG1 4.12Å; Y382-K441 PolarHBondContact O-NZ 2.6Å
383Q92.2Very high82.4Confident45 Ų4543.4 Ų43.421%0.2124%0.235CC..EExtended strand (participates in β ladder)trans-145141.8175.2-175.7176.312.100110.2F352 I353 I385 I442F352-Q383 WeakPolarHBondContact CA-O 3.42Å; I353-Q383 HydrophobicContact CB-CB 4.37Å; I353-Q383 PolarHBondContact N-O 2.77Å; I353-Q383 PolarHBondContact O-N 2.88Å; Q383-I385 HydrophobicContact CG-CG1 4.15Å; Q383-I442 PolarHBondContact NE2-O 3.14Å; Q383-I442 PolarHBondContact OE1-O 2.82Å
384I91.6Very high82.3Confident62 Ų6247.9 Ų47.932%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-111.7120.6171.7-53.3176.8000107.4A350 F352 Y382A350-I384 HydrophobicContact CB-CG2 3.91Å; F352-I384 HydrophobicContact CD1-CD1 4.02Å; F352-I384 HydrophobicContact CD1-CG1 3.68Å; F352-I384 HydrophobicContact CE1-CD1 3.46Å; F352-I384 VanDerWaalsContact CE1-CD1 3.46Å; F352-I384 HydrophobicContact CE1-CG1 3.65Å; F352-I384 HydrophobicContact CE1-CG2 4.35Å; F352-I384 HydrophobicContact CZ-CD1 4.17Å; F352-I384 HydrophobicContact CZ-CG1 4.43Å; F352-I384 HydrophobicContact CZ-CG2 4.35Å; Y382-I384 HydrophobicContact CD2-CG1 4.26Å; Y382-I384 HydrophobicContact CE2-CD1 4.2Å; Y382-I384 HydrophobicContact CE2-CG1 4.12Å
385I91.4Very high81.9Confident13 Ų1348.6 Ų48.67%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-105.3130.5177.4-56.6-178.9000108.8A350 V351 I353 Q383 F400 F418 Y434 I442A350-I385 CarbonylContact C-O 3.6Å; A350-I385 WeakPolarHBondContact CA-O 3.01Å; V351-I385 PolarHBondContact N-O 2.84Å; V351-I385 PolarHBondContact O-N 2.84Å; I353-I385 HydrophobicContact CD1-CD1 3.49Å; I353-I385 VanDerWaalsContact CD1-CD1 3.49Å; I353-I385 HydrophobicContact CD1-CG1 4.3Å; I353-I385 HydrophobicContact CG1-CD1 4.36Å; Q383-I385 HydrophobicContact CG-CG1 4.15Å; I385-F400 HydrophobicContact CG2-CE1 4.33Å; I385-F400 HydrophobicContact CG2-CZ 4.14Å; I385-F400 WeakPolarHBondContact O-CE1 3.22Å; I385-F418 HydrophobicContact CD1-CZ 4.48Å; I385-Y434 HydrophobicContact CD1-CD1 4.37Å; I385-Y434 HydrophobicContact CD1-CE1 4.31Å; I385-Y434 HydrophobicContact CG2-CE1 3.84Å; I385-Y434 WeakPolarHBondContact CG2-OH 3.38Å; I385-I442 HydrophobicContact CD1-CB 3.75Å; I385-I442 HydrophobicContact CD1-CG2 3.49Å; I385-I442 VanDerWaalsContact CD1-CG2 3.49Å
386T89.4Confident81.9Confident42 Ų4253.5 Ų53.526%0.25829%0.286SS..  trans-117.9151.3174.656.20000110A350A350-T386 HydrophobicContact CB-CG2 4.35Å
387P86Confident82Confident3 Ų354.5 Ų54.52%0.01929%0.294CS..PPolyproline II helixtrans-65.8125.5-175.626.8-34.1000111.7R347 G349 P398 F400 Y432R347-P387 PolarHBondContact NH1-O 3.41Å; G349-P387 VanDerWaalsContact O-CD 3.25Å; G349-P387 WeakPolarHBondContact O-CD 3.43Å; P387-P398 HydrophobicContact CG-CG 3.92Å; P387-F400 HydrophobicContact CB-CB 3.93Å; P387-F400 HydrophobicContact CB-CD1 4.42Å; P387-F400 HydrophobicContact CB-CD2 3.83Å; P387-F400 HydrophobicContact CB-CE2 4.46Å; P387-F400 HydrophobicContact CB-CG 3.8Å; P387-F400 HydrophobicContact CG-CB 3.71Å; P387-F400 HydrophobicContact CG-CD1 4.34Å; P387-F400 HydrophobicContact CG-CD2 4.47Å; P387-F400 HydrophobicContact CG-CG 3.93Å; P387-Y432 HydrophobicContact CB-CE1 4.28Å
388P81.4Confident82.4Confident31 Ų3148.4 Ų48.420%0.20126%0.261CS..PPolyproline II helixtrans-74170.3179.832-37.6000113.2R347 H390 Y432 P445 I448R347-P388 PolarHBondContact NH1-O 3.31Å; P388-H390 PolarHBondContact O-ND1 3.03Å; P388-Y432 HydrophobicContact CG-CE1 4.34Å; P388-P445 HydrophobicContact CG-CG 3.65Å; P388-I448 HydrophobicContact CG-CD1 4.15Å
389S74.5Confident83.1Confident73 Ų7345.8 Ų45.851%0.5125%0.249SC..PPolyproline II helixtrans-66.7135.9170.4-143.60000109.5
390H76.2Confident84.1Confident17 Ų1742 Ų428%0.07922%0.224CC..  trans-164.2177.7-179.266-67000110.3P388 C392 E425 Y432 I448P388-H390 PolarHBondContact O-ND1 3.03Å; H390-C392 VanDerWaalsContact CD2-CB 3.46Å; H390-C392 WeakPolarHBondContact CD2-CB 3.24Å; H390-C392 PolarHBondContact CD2-N 3.3Å; H390-C392 PolarHBondContact CD2-SG 3.23Å; H390-C392 WeakPolarHBondContact NE2-CB 3.37Å; H390-C392 PolarHBondContact NE2-SG 2.93Å; H390-E425 IonicContact CE1-OE2 3.61Å; H390-E425 PolarHBondContact CE1-OE2 3.32Å; H390-E425 VanDerWaalsContact CE1-OE2 3.25Å; H390-E425 IonicContact NE2-OE2 3.73Å; H390-Y432 AromaticContact CE1-CZ 3.94Å; H390-Y432 PolarHBondContact CE1-OH 2.02Å; H390-Y432 PolarHBondContact NE2-OH 3.14Å; H390-I448 HydrophobicContact CB-CD1 3.62Å
391N73.6Confident85Confident124 Ų12437.5 Ų37.566%0.66320%0.204SC*.THydrogen-bonded Turntrans-88.4-1.5-169.8-64.9-8.2000115G393N391-G393 PolarHBondContact O-N 2.93Å
392C81.4Confident85.8Confident1 Ų137.9 Ų37.91%0.00721%0.208CC..THydrogen-bonded Turntrans-70.7-13.3174.4-41.80000111.6H390 E425 D426 N427 A430 C450H390-C392 VanDerWaalsContact CD2-CB 3.46Å; H390-C392 WeakPolarHBondContact CD2-CB 3.24Å; H390-C392 PolarHBondContact CD2-N 3.3Å; H390-C392 PolarHBondContact CD2-SG 3.23Å; H390-C392 WeakPolarHBondContact NE2-CB 3.37Å; H390-C392 PolarHBondContact NE2-SG 2.93Å; C392-E425 HydrophobicContact CB-CG 3.98Å; C392-D426 CarbonylContact O-C 3.27Å; C392-N427 WeakPolarHBondContact O-CB 3.46Å; C392-N427 PolarHBondContact O-ND2 2.96Å; C392-A430 HydrophobicContact CB-CB 4.18Å; C392-C450 WeakPolarHBondContact CA-SG 3.22Å; C392-C450 HydrophobicContact CB-CB 3.62Å; C392-C450 WeakPolarHBondContact CB-SG 3.39Å; C392-C450 PolarHBondContact N-SG 2.88Å; C392-C450 VanDerWaalsContact N-SG 3.43Å; C392-C450 WeakPolarHBondContact SG-CA 2.82Å; C392-C450 WeakPolarHBondContact SG-CB 3.44Å; C392-C450 CovalentContact SG-SG 2Å; C392-C450 PolarHBondContact SG-SG 3.33Å
393G76.5Confident86.1Confident14 Ų1436.3 Ų36.314%0.14420%0.204CC..  trans129.7-169.2172.300000112.2N391N391-G393 PolarHBondContact O-N 2.93Å
394N77.2Confident86.3Confident101 Ų10134.8 Ų34.854%0.5420%0.197SC..  trans-12643.8-165.1-73.9-25.5000111.4H396 D426N394-H396 PolarHBondContact O-N 2.88Å; N394-D426 VanDerWaalsContact C-OD2 3.29Å; N394-D426 PolarHBondContact N-OD2 2.92Å
395S80.6Confident86.5Confident17 Ų1732 Ų3212%0.11918%0.183CC..  trans-63.3136177.7-179.10000110.2R347 I397 Y424 E425 D426R347-S395 PolarHBondContact NE-O 3.42Å; S395-I397 VanDerWaalsContact C-N 3.3Å; S395-I397 PolarHBondContact OG-N 3.42Å; S395-I397 PolarHBondContact OG-O 3.21Å; S395-Y424 PolarHBondContact OG-O 2.72Å; S395-E425 VanDerWaalsContact CB-OE1 3.3Å; S395-E425 WeakPolarHBondContact CB-OE1 3.36Å; S395-E425 PolarHBondContact N-OE1 2.98Å; S395-D426 PolarHBondContact N-OD2 3.47Å; S395-D426 VanDerWaalsContact N-OD2 3.09Å
396H82.3Confident86.7Confident109 Ų10933.8 Ų33.851%0.50519%0.19SC..SBendtrans-72.3-28.5174.7-69.777.8000111.4H348 N394H348-H396 PolarHBondContact N-O 3.35Å; N394-H396 PolarHBondContact O-N 2.88Å
397I85.3Confident86.9Confident72 Ų7231.8 Ų31.837%0.36918%0.178SC..  trans-130.875.4179.7-50.2176.8000107.9Y335 H348 S395 G399 Y424Y335-I397 HydrophobicContact CD1-CG2 3.79Å; Y335-I397 HydrophobicContact CE1-CG2 3.71Å; H348-I397 HydrophobicContact CB-CG1 4.35Å; H348-I397 HydrophobicContact CB-CG2 4.32Å; S395-I397 VanDerWaalsContact C-N 3.3Å; S395-I397 PolarHBondContact OG-N 3.42Å; S395-I397 PolarHBondContact OG-O 3.21Å; I397-G399 PolarHBondContact O-N 2.9Å; I397-Y424 VanDerWaalsContact O-CB 3.26Å; I397-Y424 WeakPolarHBondContact O-CB 3.16Å
398P89.1Confident87.2Confident0 Ų032.1 Ų32.10%018%0.182CC..  trans-67.7-15.3-18029.7-37.9000113.2H348 P387 F400 A422 Y424 E425H348-P398 VanDerWaalsContact O-CD 3.26Å; H348-P398 WeakPolarHBondContact O-CD 3.29Å; H348-P398 WeakPolarHBondContact O-CG 3.34Å; P387-P398 HydrophobicContact CG-CG 3.92Å; P398-F400 VanDerWaalsContact C-N 3.31Å; P398-F400 HydrophobicContact CG-CB 4.3Å; P398-A422 HydrophobicContact CB-CB 4.28Å; P398-A422 CarbonylContact O-C 3.56Å; P398-A422 VanDerWaalsContact O-CA 3.29Å; P398-A422 WeakPolarHBondContact O-CA 3.21Å; P398-A422 WeakPolarHBondContact O-CB 3.46Å; P398-Y424 CarbonylContact O-C 3.54Å; P398-Y424 WeakPolarHBondContact O-CA 3.17Å; P398-Y424 PolarHBondContact O-N 2.85Å; P398-E425 HydrophobicContact CB-CB 4.34Å; P398-E425 VanDerWaalsContact CB-OE2 3.25Å; P398-E425 WeakPolarHBondContact CB-OE2 3.15Å; P398-E425 PolarHBondContact O-N 3.26Å
399G92.6Very high87.8Confident0 Ų032 Ų320%018%0.18CC..  trans71.326.1-173.600000112.9I397 G401 A402I397-G399 PolarHBondContact O-N 2.9Å; G399-G401 PolarHBondContact O-N 3.45Å; G399-A402 WeakPolarHBondContact O-CB 3.2Å; G399-A402 PolarHBondContact O-N 3.3Å
400F95.3Very high88.7Confident0 Ų028.6 Ų28.60%016%0.155CC..BIsolated β-bridgetrans-59.7122.2178.3178.5-93.9000111.3P334 G349 A350 V351 I385 P387 P398 V420 A422 Y432 Y434P334-F400 WeakPolarHBondContact CA-O 3.18Å; G349-F400 CarbonylContact C-O 3.59Å; G349-F400 VanDerWaalsContact CA-O 3.31Å; G349-F400 WeakPolarHBondContact CA-O 3.5Å; A350-F400 PolarHBondContact N-O 2.84Å; V351-F400 HydrophobicContact CB-CE1 4.08Å; V351-F400 HydrophobicContact CG2-CD1 4.26Å; V351-F400 HydrophobicContact CG2-CE1 3.67Å; V351-F400 HydrophobicContact CG2-CZ 4.15Å; I385-F400 HydrophobicContact CG2-CE1 4.33Å; I385-F400 HydrophobicContact CG2-CZ 4.14Å; I385-F400 WeakPolarHBondContact O-CE1 3.22Å; P387-F400 HydrophobicContact CB-CB 3.93Å; P387-F400 HydrophobicContact CB-CD1 4.42Å; P387-F400 HydrophobicContact CB-CD2 3.83Å; P387-F400 HydrophobicContact CB-CE2 4.46Å; P387-F400 HydrophobicContact CB-CG 3.8Å; P387-F400 HydrophobicContact CG-CB 3.71Å; P387-F400 HydrophobicContact CG-CD1 4.34Å; P387-F400 HydrophobicContact CG-CD2 4.47Å; P387-F400 HydrophobicContact CG-CG 3.93Å; P398-F400 VanDerWaalsContact C-N 3.31Å; P398-F400 HydrophobicContact CG-CB 4.3Å; F400-V420 HydrophobicContact CD1-CG1 4.35Å; F400-V420 HydrophobicContact CD2-CB 4.41Å; F400-V420 HydrophobicContact CD2-CG1 3.77Å; F400-V420 HydrophobicContact CE1-CG1 4.14Å; F400-V420 HydrophobicContact CE2-CB 3.78Å; F400-V420 HydrophobicContact CE2-CG1 3.53Å; F400-V420 HydrophobicContact CE2-CG2 4.43Å; F400-V420 HydrophobicContact CG-CG1 4.19Å; F400-V420 HydrophobicContact CZ-CB 4.04Å; F400-V420 HydrophobicContact CZ-CG1 3.72Å; F400-V420 HydrophobicContact CZ-CG2 4.22Å; F400-A422 HydrophobicContact CB-CB 4.33Å; F400-Y432 AromaticContact CD2-CD2 3.59Å; F400-Y432 HydrophobicContact CD2-CD2 3.59Å; F400-Y432 AromaticContact CD2-CE2 3.72Å; F400-Y432 HydrophobicContact CD2-CE2 3.72Å; F400-Y432 HydrophobicContact CD2-CG 4.07Å; F400-Y432 HydrophobicContact CE2-CD1 4.22Å; F400-Y432 AromaticContact CE2-CD2 3.68Å; F400-Y432 HydrophobicContact CE2-CD2 3.68Å; F400-Y432 HydrophobicContact CE2-CE2 4.21Å; F400-Y432 AromaticContact CE2-CG 3.69Å; F400-Y432 HydrophobicContact CE2-CG 3.69Å; F400-Y434 HydrophobicContact CE2-CE2 4.08Å; F400-Y434 AromaticContact CZ-CE2 3.91Å; F400-Y434 HydrophobicContact CZ-CE2 3.91Å; F400-Y434 AromaticContact CZ-CZ 3.96Å; F400-Y434 VanDerWaalsContact CZ-OH 3.31Å; F400-Y434 WeakPolarHBondContact CZ-OH 3.46Å
401G96.6Very high89.4Confident0 Ų028.1 Ų28.10%015%0.154CC..THydrogen-bonded Turntrans96.88.2-17200000113.6S315 G332 G399 T403 V420 G421S315-G401 PolarHBondContact OG-O 2.94Å; G332-G401 WeakPolarHBondContact CA-O 3.45Å; G399-G401 PolarHBondContact O-N 3.45Å; G401-T403 VanDerWaalsContact C-N 3.27Å; G401-T403 PolarHBondContact O-N 2.9Å; G401-V420 VanDerWaalsContact N-CG1 3.33Å; G401-G421 PolarHBondContact N-O 3Å; G401-G421 VanDerWaalsContact N-O 3.15Å
402A97.2Very high90.3Very high16 Ų1624.6 Ų24.613%0.13213%0.133CC..SBendtrans-62.9-35.9172.800000111.9H314 P334 G399 P423H314-A402 PolarHBondContact CD2-O 3.06Å; P334-A402 HydrophobicContact CB-CB 4.32Å; G399-A402 WeakPolarHBondContact O-CB 3.2Å; G399-A402 PolarHBondContact O-N 3.3Å; A402-P423 HydrophobicContact CB-CG 3.88Å
403T97.5Very high90.7Very high22 Ų2227.7 Ų27.714%0.13515%0.15CC..EExtended strand (participates in β ladder)trans-143147.8176.5-177.20000109.8G401 V420 G421 G464 L467G401-T403 VanDerWaalsContact C-N 3.27Å; G401-T403 PolarHBondContact O-N 2.9Å; T403-V420 WeakPolarHBondContact O-CA 3.34Å; T403-G421 PolarHBondContact O-N 3.05Å; T403-G464 WeakPolarHBondContact CG2-O 3.5Å; T403-L467 HydrophobicContact CG2-CD1 3.82Å; T403-L467 HydrophobicContact CG2-CG 3.65Å
404I97.4Very high91.4Very high14 Ų1429.4 Ų29.47%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-139.8135.7-179.9-53.9168.3000107S315 I317 I330 V351 F418 A419S315-I404 WeakPolarHBondContact OG-CD1 3.26Å; S315-I404 WeakPolarHBondContact OG-CG1 3.42Å; I317-I404 HydrophobicContact CD1-CG2 3.54Å; I317-I404 HydrophobicContact CG1-CG2 3.72Å; I317-I404 HydrophobicContact CG2-CG2 4.45Å; I330-I404 HydrophobicContact CG2-CD1 4.05Å; I330-I404 HydrophobicContact CG2-CG2 4.21Å; V351-I404 HydrophobicContact CG1-CD1 4.14Å; V351-I404 HydrophobicContact CG2-CD1 4.05Å; V351-I404 HydrophobicContact CG2-CG1 4.44Å; I404-F418 HydrophobicContact CG2-CD2 4.23Å; I404-A419 VanDerWaalsContact CA-O 3.3Å; I404-A419 WeakPolarHBondContact CA-O 3.41Å
405T95.5Very high92.1Very high3 Ų326.8 Ų26.82%0.01815%0.151CC..EExtended strand (participates in β ladder)trans-137.2152.9176.7-168.50000111.7L407 F418 A419 L467 N470 M482T405-L407 HydrophobicContact CG2-CD2 4.38Å; T405-F418 VanDerWaalsContact O-CA 3.31Å; T405-F418 WeakPolarHBondContact O-CA 3.35Å; T405-F418 WeakPolarHBondContact O-CB 3.46Å; T405-A419 HydrophobicContact CG2-CB 4.12Å; T405-A419 PolarHBondContact N-O 2.99Å; T405-A419 VanDerWaalsContact N-O 3.08Å; T405-A419 PolarHBondContact O-N 3.14Å; T405-L467 HydrophobicContact CG2-CB 3.42Å; T405-L467 VanDerWaalsContact CG2-CB 3.42Å; T405-L467 HydrophobicContact CG2-CD1 4.03Å; T405-L467 HydrophobicContact CG2-CG 4.37Å; T405-N470 PolarHBondContact OG1-OD1 3.2Å; T405-M482 HydrophobicContact CG2-CE 4.04Å
406K94.3Very high92.8Very high50 Ų5029.4 Ų29.422%0.21716%0.161CC..EExtended strand (participates in β ladder)trans-76.8127.5172.6-51.3179-164-166.60107.8D238 I317 F318 L319 N470 G471D238-K406 IonicContact OD1-NZ 3.38Å; D238-K406 WeakPolarHBondContact OD2-CE 3.5Å; D238-K406 IonicContact OD2-NZ 3.84Å; D238-K406 PolarHBondContact OD2-NZ 3.48Å; I317-K406 HydrophobicContact CB-CG 4.47Å; I317-K406 HydrophobicContact CD1-CG 3.97Å; F318-K406 WeakPolarHBondContact O-CE 3.23Å; F318-K406 PolarHBondContact O-NZ 2.67Å; L319-K406 HydrophobicContact CD1-CB 4.18Å; L319-K406 HydrophobicContact CD1-CD 4.17Å; L319-K406 HydrophobicContact CD1-CG 4.05Å; K406-N470 CarbonylContact O-C 3.53Å; K406-N470 VanDerWaalsContact O-CA 3.23Å; K406-N470 WeakPolarHBondContact O-CA 3.08Å; K406-G471 PolarHBondContact O-N 3Å; K406-G471 VanDerWaalsContact O-N 3.16Å
407L94.3Very high93.4Very high1 Ų124.2 Ų24.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-95.7-10.1175.1-71.4179.3000112.8T405 I410 D417 A419 I433 G471 P480 M482T405-L407 HydrophobicContact CG2-CD2 4.38Å; L407-I410 HydrophobicContact CB-CB 4.44Å; L407-I410 HydrophobicContact CD1-CD1 4.2Å; L407-D417 HydrophobicContact CB-CB 4.12Å; L407-D417 HydrophobicContact CD1-CB 4.47Å; L407-D417 PolarHBondContact N-O 3.24Å; L407-A419 HydrophobicContact CD1-CB 3.94Å; L407-A419 HydrophobicContact CD2-CB 4.19Å; L407-A419 HydrophobicContact CG-CB 4.07Å; L407-I433 HydrophobicContact CD1-CG1 4.31Å; L407-I433 HydrophobicContact CD1-CG2 3.79Å; L407-G471 WeakPolarHBondContact O-CA 3.45Å; L407-P480 WeakPolarHBondContact O-CB 2.96Å; L407-P480 WeakPolarHBondContact O-CG 3.47Å; L407-M482 HydrophobicContact CD2-CB 4.33Å; L407-M482 HydrophobicContact CD2-CE 3.97Å; L407-M482 HydrophobicContact CD2-CG 3.99Å; L407-M482 HydrophobicContact CD2-SD 3.98Å
408G92.4Very high94Very high10 Ų1020.8 Ų20.810%0.10312%0.12CC..EExtended strand (participates in β ladder)trans74.3-170.1-163.900000110.4I410 D417G408-I410 PolarHBondContact O-N 3.31Å; G408-I410 VanDerWaalsContact O-N 3.15Å; G408-D417 WeakPolarHBondContact O-CA 3.28Å; G408-D417 VanDerWaalsContact O-CB 3.27Å; G408-D417 WeakPolarHBondContact O-CB 3.44Å; G408-D417 PolarHBondContact O-N 2.81Å
409D93.5Very high94.4Very high29 Ų2920.8 Ų20.816%0.15512%0.12CC..SBendtrans-78.791.5168.4-178.9-4.9000107.2N411 H412 D413 G414 F415 P480D409-N411 VanDerWaalsContact C-N 3.27Å; D409-N411 PolarHBondContact O-N 2.97Å; D409-N411 PolarHBondContact OD1-OD1 2.71Å; D409-N411 VanDerWaalsContact OD1-OD1 3.12Å; D409-H412 VanDerWaalsContact CG-CA 3.43Å; D409-H412 PolarHBondContact O-CD2 2.78Å; D409-H412 VanDerWaalsContact O-CD2 3.26Å; D409-H412 WeakPolarHBondContact OD1-CA 3.32Å; D409-H412 PolarHBondContact OD1-N 3.38Å; D409-H412 VanDerWaalsContact OD2-CA 3.32Å; D409-H412 WeakPolarHBondContact OD2-CA 3.44Å; D409-D413 PolarHBondContact OD1-N 2.69Å; D409-D413 PolarHBondContact OD2-N 2.8Å; D409-G414 VanDerWaalsContact OD2-CA 3.25Å; D409-G414 WeakPolarHBondContact OD2-CA 3.01Å; D409-G414 PolarHBondContact OD2-N 2.58Å; D409-F415 VanDerWaalsContact CA-O 3.3Å; D409-F415 WeakPolarHBondContact CA-O 3.42Å; D409-F415 VanDerWaalsContact CB-O 3.23Å; D409-F415 WeakPolarHBondContact CB-O 3.17Å; D409-F415 VanDerWaalsContact CG-O 3.28Å; D409-P480 WeakPolarHBondContact O-CD 3.49Å
410I93.6Very high94.6Very high0 Ų020.8 Ų20.80%012%0.12CC..SBendtrans-75.7-22.6-171.1-153.5173000110.9N30 I31 L407 G408 D417 Y479 P480 A497N30-I410 PolarHBondContact ND2-O 2.73Å; I31-I410 HydrophobicContact CD1-CD1 3.43Å; I31-I410 VanDerWaalsContact CD1-CD1 3.43Å; I31-I410 HydrophobicContact CG1-CD1 3.59Å; L407-I410 HydrophobicContact CB-CB 4.44Å; L407-I410 HydrophobicContact CD1-CD1 4.2Å; G408-I410 PolarHBondContact O-N 3.31Å; G408-I410 VanDerWaalsContact O-N 3.15Å; I410-D417 HydrophobicContact CG2-CB 4.37Å; I410-D417 VanDerWaalsContact CG2-OD2 3.29Å; I410-D417 WeakPolarHBondContact CG2-OD2 3.46Å; I410-D417 PolarHBondContact N-OD2 3.3Å; I410-Y479 WeakPolarHBondContact O-CD1 3.47Å; I410-P480 HydrophobicContact CG1-CB 4.35Å; I410-P480 WeakPolarHBondContact CG1-O 3.21Å; I410-A497 HydrophobicContact CG1-CB 4.33Å
411N91.6Very high94.7Very high8 Ų820.8 Ų20.84%0.04312%0.12CC..SBendtrans-111.21.4-176.667-29.2000114.8F29 D409 D413 D417 H435 V500F29-N411 HydrophobicContact CE1-CB 3.59Å; F29-N411 HydrophobicContact CZ-CB 4.25Å; D409-N411 VanDerWaalsContact C-N 3.27Å; D409-N411 PolarHBondContact O-N 2.97Å; D409-N411 PolarHBondContact OD1-OD1 2.71Å; D409-N411 VanDerWaalsContact OD1-OD1 3.12Å; N411-D413 VanDerWaalsContact C-N 3.32Å; N411-D413 PolarHBondContact ND2-OD2 3.34Å; N411-D413 PolarHBondContact O-N 2.85Å; N411-D413 VanDerWaalsContact OD1-CG 3.27Å; N411-D413 PolarHBondContact OD1-OD1 3.11Å; N411-D413 PolarHBondContact OD1-OD2 3.18Å; N411-D417 PolarHBondContact OD1-OD2 3.2Å; N411-H435 PolarHBondContact ND2-CD2 2.85Å; N411-H435 VanDerWaalsContact ND2-CD2 3.26Å; N411-V500 HydrophobicContact CB-CG2 4.48Å
412H91.8Very high94.7Very high50 Ų5020.8 Ų20.823%0.23112%0.12CC..SBendtrans59.636.6-178.8-68-168.3000113.5D409 G478 Y479 V555 D556D409-H412 VanDerWaalsContact CG-CA 3.43Å; D409-H412 PolarHBondContact O-CD2 2.78Å; D409-H412 VanDerWaalsContact O-CD2 3.26Å; D409-H412 WeakPolarHBondContact OD1-CA 3.32Å; D409-H412 PolarHBondContact OD1-N 3.38Å; D409-H412 VanDerWaalsContact OD2-CA 3.32Å; D409-H412 WeakPolarHBondContact OD2-CA 3.44Å; H412-G478 PolarHBondContact CE1-O 2.97Å; H412-G478 PolarHBondContact NE2-O 2.03Å; H412-Y479 HydrophobicContact CB-CE1 4.25Å; H412-Y479 AromaticContact CG-CE1 3.78Å; H412-Y479 AromaticContact ND1-CE1 3.85Å; H412-Y479 AromaticContact ND1-CZ 3.69Å; H412-Y479 AromaticContact NE2-CD1 3.96Å; H412-V555 HydrophobicContact CB-CG1 4.24Å; H412-V555 VanDerWaalsContact O-CG1 3.3Å; H412-V555 WeakPolarHBondContact O-CG1 3.22Å; H412-D556 IonicContact CE1-OD1 3.98Å; H412-D556 IonicContact CG-OD1 2.83Å; H412-D556 IonicContact ND1-OD1 2.79Å; H412-D556 PolarHBondContact ND1-OD1 2.88Å
413D89.8Confident94.7Very high66 Ų6620.3 Ų20.335%0.35312%0.115SC..SBendtrans-90.9-417675.410.5000113.9D409 N411 F415D409-D413 PolarHBondContact OD1-N 2.69Å; D409-D413 PolarHBondContact OD2-N 2.8Å; N411-D413 VanDerWaalsContact C-N 3.32Å; N411-D413 PolarHBondContact ND2-OD2 3.34Å; N411-D413 PolarHBondContact O-N 2.85Å; N411-D413 VanDerWaalsContact OD1-CG 3.27Å; N411-D413 PolarHBondContact OD1-OD1 3.11Å; N411-D413 PolarHBondContact OD1-OD2 3.18Å; D413-F415 WeakPolarHBondContact OD1-CD2 3.31Å; D413-F415 PolarHBondContact OD1-N 3.11Å
414G90.6Very high94.6Very high50 Ų5024.8 Ų24.852%0.51513%0.131SC..SBendtrans96.6-0.317900000114.7D409D409-G414 VanDerWaalsContact OD2-CA 3.25Å; D409-G414 WeakPolarHBondContact OD2-CA 3.01Å; D409-G414 PolarHBondContact OD2-N 2.58Å
415F93.4Very high94.3Very high45 Ų4524.5 Ų24.520%0.19713%0.129CC..SBendtrans-112.2152.4177.3-56.8-73.2000111.4N322 D409 D413 K438N322-F415 VanDerWaalsContact O-CE1 3.24Å; N322-F415 WeakPolarHBondContact O-CE1 3.44Å; D409-F415 VanDerWaalsContact CA-O 3.3Å; D409-F415 WeakPolarHBondContact CA-O 3.42Å; D409-F415 VanDerWaalsContact CB-O 3.23Å; D409-F415 WeakPolarHBondContact CB-O 3.17Å; D409-F415 VanDerWaalsContact CG-O 3.28Å; D413-F415 WeakPolarHBondContact OD1-CD2 3.31Å; D413-F415 PolarHBondContact OD1-N 3.11Å; F415-K438 HydrophobicContact CE1-CB 3.93Å; F415-K438 HydrophobicContact CE2-CB 4.47Å; F415-K438 HydrophobicContact CZ-CB 3.61Å; F415-K438 HydrophobicContact CZ-CG 4.35Å
416Q94.7Very high94Very high72 Ų7227.7 Ų27.734%0.33615%0.146SC..  trans-84.4140.8175.9-57-69.7-62.400111.3L319 D320 G436L319-Q416 HydrophobicContact CD1-CB 3.56Å; L319-Q416 HydrophobicContact CD1-CG 4.06Å; L319-Q416 HydrophobicContact CD2-CB 4.16Å; L319-Q416 HydrophobicContact CG-CB 3.79Å; D320-Q416 VanDerWaalsContact O-CB 3.25Å; D320-Q416 WeakPolarHBondContact O-CB 2.99Å; D320-Q416 WeakPolarHBondContact O-CG 3.47Å; Q416-G436 WeakPolarHBondContact O-CA 3.37Å; Q416-G436 PolarHBondContact O-N 3.1Å
417D95.6Very high93.8Very high0 Ų029.9 Ų29.90%016%0.16CC..EExtended strand (participates in β ladder)trans-113163.7-176.3-53.5-39.7000111.8L319 L407 G408 I410 N411 Y434 H435 G436L319-D417 WeakPolarHBondContact CD2-O 3.37Å; L407-D417 HydrophobicContact CB-CB 4.12Å; L407-D417 HydrophobicContact CD1-CB 4.47Å; L407-D417 PolarHBondContact N-O 3.24Å; G408-D417 WeakPolarHBondContact O-CA 3.28Å; G408-D417 VanDerWaalsContact O-CB 3.27Å; G408-D417 WeakPolarHBondContact O-CB 3.44Å; G408-D417 PolarHBondContact O-N 2.81Å; I410-D417 HydrophobicContact CG2-CB 4.37Å; I410-D417 VanDerWaalsContact CG2-OD2 3.29Å; I410-D417 WeakPolarHBondContact CG2-OD2 3.46Å; I410-D417 PolarHBondContact N-OD2 3.3Å; N411-D417 PolarHBondContact OD1-OD2 3.2Å; D417-Y434 WeakPolarHBondContact CB-O 3.31Å; D417-H435 WeakPolarHBondContact OD1-CA 3.28Å; D417-H435 VanDerWaalsContact OD1-CB 3.32Å; D417-H435 WeakPolarHBondContact OD1-CB 3.42Å; D417-H435 IonicContact OD1-CG 3.83Å; D417-H435 IonicContact OD1-ND1 2.72Å; D417-H435 IonicContact OD2-ND1 3.72Å; D417-G436 PolarHBondContact OD1-N 3.13Å
418F96.9Very high93.7Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-145.6160.7179.268.5-82.4000112.2I317 L319 I321 I330 I353 I385 I404 T405 V420 Y434 I442I317-F418 HydrophobicContact CD1-CB 4.13Å; L319-F418 HydrophobicContact CD2-CB 3.85Å; L319-F418 HydrophobicContact CD2-CD1 4.38Å; I321-F418 HydrophobicContact CG2-CD1 4.27Å; I330-F418 HydrophobicContact CD1-CD1 3.8Å; I330-F418 HydrophobicContact CD1-CD2 4.24Å; I330-F418 HydrophobicContact CD1-CE1 3.98Å; I330-F418 HydrophobicContact CD1-CE2 4.4Å; I330-F418 HydrophobicContact CD1-CG 3.94Å; I330-F418 HydrophobicContact CD1-CZ 4.27Å; I353-F418 HydrophobicContact CD1-CE1 4.29Å; I353-F418 HydrophobicContact CD1-CZ 3.83Å; I385-F418 HydrophobicContact CD1-CZ 4.48Å; I404-F418 HydrophobicContact CG2-CD2 4.23Å; T405-F418 VanDerWaalsContact O-CA 3.31Å; T405-F418 WeakPolarHBondContact O-CA 3.35Å; T405-F418 WeakPolarHBondContact O-CB 3.46Å; F418-V420 HydrophobicContact CD2-CG2 3.85Å; F418-V420 HydrophobicContact CE2-CG2 3.67Å; F418-Y434 HydrophobicContact CD2-CD2 4.3Å; F418-Y434 HydrophobicContact CE1-CG 4.35Å; F418-Y434 AromaticContact CE2-CD2 3.66Å; F418-Y434 HydrophobicContact CE2-CD2 3.66Å; F418-Y434 AromaticContact CE2-CG 3.94Å; F418-Y434 HydrophobicContact CE2-CG 3.94Å; F418-Y434 AromaticContact CZ-CD2 3.97Å; F418-Y434 HydrophobicContact CZ-CD2 3.97Å; F418-Y434 AromaticContact CZ-CG 3.74Å; F418-Y434 HydrophobicContact CZ-CG 3.74Å; F418-Y434 PolarHBondContact N-O 3.49Å; F418-Y434 PolarHBondContact O-N 3.26Å; F418-I442 HydrophobicContact CE1-CD1 4.1Å; F418-I442 HydrophobicContact CE1-CG1 4.03Å; F418-I442 HydrophobicContact CE1-CG2 4.12Å; F418-I442 HydrophobicContact CZ-CG1 4.4Å; F418-I442 HydrophobicContact CZ-CG2 4.02Å
419A97.5Very high93.8Very high0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-123.3151174.100000112.2I404 T405 L407 V431 Y432 I433 L467 M482I404-A419 VanDerWaalsContact CA-O 3.3Å; I404-A419 WeakPolarHBondContact CA-O 3.41Å; T405-A419 HydrophobicContact CG2-CB 4.12Å; T405-A419 PolarHBondContact N-O 2.99Å; T405-A419 VanDerWaalsContact N-O 3.08Å; T405-A419 PolarHBondContact O-N 3.14Å; L407-A419 HydrophobicContact CD1-CB 3.94Å; L407-A419 HydrophobicContact CD2-CB 4.19Å; L407-A419 HydrophobicContact CG-CB 4.07Å; A419-V431 HydrophobicContact CB-CG1 4.13Å; A419-Y432 CarbonylContact C-O 3.59Å; A419-Y432 VanDerWaalsContact CA-O 3.25Å; A419-Y432 WeakPolarHBondContact CA-O 3.4Å; A419-I433 HydrophobicContact CB-CG1 4.48Å; A419-L467 HydrophobicContact CB-CD1 3.96Å; A419-M482 HydrophobicContact CB-CE 3.2Å; A419-M482 HydrophobicContact CB-SD 4.23Å
420V97.9Very high93.9Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-126.6128.2-179-175.60000109.6V351 F400 G401 T403 F418 V431 Y432 Y434V351-V420 HydrophobicContact CG2-CB 4.45Å; V351-V420 HydrophobicContact CG2-CG1 3.66Å; V351-V420 HydrophobicContact CG2-CG2 3.91Å; F400-V420 HydrophobicContact CD1-CG1 4.35Å; F400-V420 HydrophobicContact CD2-CB 4.41Å; F400-V420 HydrophobicContact CD2-CG1 3.77Å; F400-V420 HydrophobicContact CE1-CG1 4.14Å; F400-V420 HydrophobicContact CE2-CB 3.78Å; F400-V420 HydrophobicContact CE2-CG1 3.53Å; F400-V420 HydrophobicContact CE2-CG2 4.43Å; F400-V420 HydrophobicContact CG-CG1 4.19Å; F400-V420 HydrophobicContact CZ-CB 4.04Å; F400-V420 HydrophobicContact CZ-CG1 3.72Å; F400-V420 HydrophobicContact CZ-CG2 4.22Å; G401-V420 VanDerWaalsContact N-CG1 3.33Å; T403-V420 WeakPolarHBondContact O-CA 3.34Å; F418-V420 HydrophobicContact CD2-CG2 3.85Å; F418-V420 HydrophobicContact CE2-CG2 3.67Å; V420-V431 WeakPolarHBondContact O-CA 3.23Å; V420-Y432 PolarHBondContact N-O 2.98Å; V420-Y432 PolarHBondContact O-N 3.07Å; V420-Y434 HydrophobicContact CB-CE2 4.3Å; V420-Y434 HydrophobicContact CG2-CD2 3.99Å; V420-Y434 HydrophobicContact CG2-CE2 3.9Å
421G97.3Very high94.1Very high0 Ų028.9 Ų28.90%016%0.157CC..EExtended strand (participates in β ladder)trans-90.6148177.100000113.2G401 T403 G464G401-G421 PolarHBondContact N-O 3Å; G401-G421 VanDerWaalsContact N-O 3.15Å; T403-G421 PolarHBondContact O-N 3.05Å; G421-G464 WeakPolarHBondContact CA-O 3.04Å
422A96.4Very high94.3Very high0 Ų028.5 Ų28.50%016%0.155CC..EExtended strand (participates in β ladder)trans-137.675.9175.400000109.6P398 F400 Y424 E425 G429 A430 Y432P398-A422 HydrophobicContact CB-CB 4.28Å; P398-A422 CarbonylContact O-C 3.56Å; P398-A422 VanDerWaalsContact O-CA 3.29Å; P398-A422 WeakPolarHBondContact O-CA 3.21Å; P398-A422 WeakPolarHBondContact O-CB 3.46Å; F400-A422 HydrophobicContact CB-CB 4.33Å; A422-Y424 PolarHBondContact O-N 3.13Å; A422-E425 WeakPolarHBondContact O-CB 3.34Å; A422-E425 PolarHBondContact O-N 3.45Å; A422-G429 WeakPolarHBondContact O-CA 3.38Å; A422-A430 PolarHBondContact N-O 3.33Å; A422-A430 PolarHBondContact O-N 3.03Å; A422-Y432 HydrophobicContact CB-CD2 4.31Å; A422-Y432 HydrophobicContact CB-CE2 3.65Å
423P96.8Very high94.4Very high6 Ų626.1 Ų26.14%0.03914%0.144CC..THydrogen-bonded Turntrans-69.5-12.6-171.326.8-34.8000114.9A402 F463 F465A402-P423 HydrophobicContact CB-CG 3.88Å; P423-F463 WeakPolarHBondContact CA-O 3.39Å; P423-F465 HydrophobicContact CB-CB 4.08Å; P423-F465 HydrophobicContact CB-CD2 4.46Å
424Y94.4Very high94.6Very high117 Ų11723 Ų2346%0.45913%0.127SC..THydrogen-bonded Turntrans-107.913.1-179-48.3-49.1000112.4S395 I397 P398 A422S395-Y424 PolarHBondContact OG-O 2.72Å; I397-Y424 VanDerWaalsContact O-CB 3.26Å; I397-Y424 WeakPolarHBondContact O-CB 3.16Å; P398-Y424 CarbonylContact O-C 3.54Å; P398-Y424 WeakPolarHBondContact O-CA 3.17Å; P398-Y424 PolarHBondContact O-N 2.85Å; A422-Y424 PolarHBondContact O-N 3.13Å
425E91.9Very high94.7Very high7 Ų721 Ų213%0.03310%0.104CC..SBendtrans-60.8150.7165.9-162.868.5-9400110R347 H390 C392 S395 P398 A422 G429 A430 Y432R347-E425 IonicContact CZ-OE1 3.71Å; R347-E425 IonicContact CZ-OE2 3.67Å; R347-E425 IonicContact NH2-OE1 2.7Å; R347-E425 PolarHBondContact NH2-OE1 3.33Å; R347-E425 IonicContact NH2-OE2 3.69Å; R347-E425 PolarHBondContact NH2-OE2 3.34Å; H390-E425 IonicContact CE1-OE2 3.61Å; H390-E425 PolarHBondContact CE1-OE2 3.32Å; H390-E425 VanDerWaalsContact CE1-OE2 3.25Å; H390-E425 IonicContact NE2-OE2 3.73Å; C392-E425 HydrophobicContact CB-CG 3.98Å; S395-E425 VanDerWaalsContact CB-OE1 3.3Å; S395-E425 WeakPolarHBondContact CB-OE1 3.36Å; S395-E425 PolarHBondContact N-OE1 2.98Å; P398-E425 HydrophobicContact CB-CB 4.34Å; P398-E425 VanDerWaalsContact CB-OE2 3.25Å; P398-E425 WeakPolarHBondContact CB-OE2 3.15Å; P398-E425 PolarHBondContact O-N 3.26Å; A422-E425 WeakPolarHBondContact O-CB 3.34Å; A422-E425 PolarHBondContact O-N 3.45Å; E425-G429 PolarHBondContact O-N 3.37Å; E425-A430 HydrophobicContact CB-CB 3.96Å; E425-A430 HydrophobicContact CG-CB 3.92Å; E425-Y432 PolarHBondContact OE2-OH 3.5Å
426D88.7Confident94.7Very high71 Ų7119.1 Ų19.138%0.3810%0.098SC..G310 helixtrans-58.4166.4171.9-66.9-28.2000110.7C392 N394 S395 G428C392-D426 CarbonylContact O-C 3.27Å; N394-D426 VanDerWaalsContact C-OD2 3.29Å; N394-D426 PolarHBondContact N-OD2 2.92Å; S395-D426 PolarHBondContact N-OD2 3.47Å; S395-D426 VanDerWaalsContact N-OD2 3.09Å; D426-G428 PolarHBondContact O-N 3.14Å; D426-G428 VanDerWaalsContact O-N 3.15Å
427N90.4Very high94.5Very high96 Ų9616.4 Ų16.451%0.5139%0.087SC..G310 helixtrans57.727.1179.5-57.5-43.4000114.8C392 N452C392-N427 WeakPolarHBondContact O-CB 3.46Å; C392-N427 PolarHBondContact O-ND2 2.96Å; N427-N452 HydrophobicContact CB-CB 4.08Å
428G92.3Very high94.1Very high19 Ų1924.8 Ų24.820%0.19612%0.123CC..G310 helixtrans104.3-7.8168.100000115.8D426 L460 E461 G462 F463D426-G428 PolarHBondContact O-N 3.14Å; D426-G428 VanDerWaalsContact O-N 3.15Å; G428-L460 WeakPolarHBondContact CA-O 3.33Å; G428-E461 CarbonylContact O-C 3.53Å; G428-G462 PolarHBondContact O-N 3.16Å; G428-F463 WeakPolarHBondContact O-CB 3.15Å; G428-F463 PolarHBondContact O-N 3.17Å
429G95.1Very high93.5Very high0 Ų027.8 Ų27.80%014%0.144CC..BIsolated β-bridgetrans119.1168.2-178.400000113.4A422 E425 A451 F463A422-G429 WeakPolarHBondContact O-CA 3.38Å; E425-G429 PolarHBondContact O-N 3.37Å; G429-A451 WeakPolarHBondContact O-CB 3.48Å; G429-A451 PolarHBondContact O-N 3.14Å; G429-A451 VanDerWaalsContact O-N 3.08Å; G429-F463 CarbonylContact C-O 3.58Å; G429-F463 WeakPolarHBondContact CA-O 3.36Å
430A95.6Very high92.9Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-146.8158-178.500000113.4C392 A422 E425 Y432 I449 F463C392-A430 HydrophobicContact CB-CB 4.18Å; A422-A430 PolarHBondContact N-O 3.33Å; A422-A430 PolarHBondContact O-N 3.03Å; E425-A430 HydrophobicContact CB-CB 3.96Å; E425-A430 HydrophobicContact CG-CB 3.92Å; A430-Y432 HydrophobicContact CB-CE2 4.02Å; A430-I449 VanDerWaalsContact CA-O 3.32Å; A430-I449 WeakPolarHBondContact CA-O 3.25Å; A430-F463 PolarHBondContact N-O 2.88Å
431V96.8Very high92.4Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-129.6137.2173.3177.70000109.8A419 V420 I448 I449 F463 L467 M482 I484A419-V431 HydrophobicContact CB-CG1 4.13Å; V420-V431 WeakPolarHBondContact O-CA 3.23Å; V431-I448 WeakPolarHBondContact O-CA 3.34Å; V431-I449 HydrophobicContact CB-CB 4.35Å; V431-I449 PolarHBondContact N-O 3.23Å; V431-I449 PolarHBondContact O-N 3.19Å; V431-F463 HydrophobicContact CB-CE1 4.45Å; V431-F463 HydrophobicContact CG2-CD1 4.16Å; V431-F463 HydrophobicContact CG2-CE1 3.86Å; V431-L467 HydrophobicContact CB-CD2 4.47Å; V431-L467 HydrophobicContact CG1-CD1 4.31Å; V431-L467 HydrophobicContact CG1-CD2 3.96Å; V431-L467 HydrophobicContact CG2-CD2 3.61Å; V431-M482 HydrophobicContact CG1-CE 3.81Å; V431-M482 HydrophobicContact CG1-SD 4.24Å; V431-I484 HydrophobicContact CB-CD1 4.18Å; V431-I484 HydrophobicContact CG1-CD1 4.37Å; V431-I484 HydrophobicContact CG2-CD1 3.89Å; V431-I484 HydrophobicContact CG2-CG1 4.2Å; V431-I484 HydrophobicContact CG2-CG2 3.71Å
432Y95.4Very high92Very high0 Ų030.9 Ų30.90%016%0.158CC..EExtended strand (participates in β ladder)trans-117.4128-176.4-61.3-103.7000109.4P387 P388 H390 F400 A419 V420 A422 E425 A430 P445 I448P387-Y432 HydrophobicContact CB-CE1 4.28Å; P388-Y432 HydrophobicContact CG-CE1 4.34Å; H390-Y432 AromaticContact CE1-CZ 3.94Å; H390-Y432 PolarHBondContact CE1-OH 2.02Å; H390-Y432 PolarHBondContact NE2-OH 3.14Å; F400-Y432 AromaticContact CD2-CD2 3.59Å; F400-Y432 HydrophobicContact CD2-CD2 3.59Å; F400-Y432 AromaticContact CD2-CE2 3.72Å; F400-Y432 HydrophobicContact CD2-CE2 3.72Å; F400-Y432 HydrophobicContact CD2-CG 4.07Å; F400-Y432 HydrophobicContact CE2-CD1 4.22Å; F400-Y432 AromaticContact CE2-CD2 3.68Å; F400-Y432 HydrophobicContact CE2-CD2 3.68Å; F400-Y432 HydrophobicContact CE2-CE2 4.21Å; F400-Y432 AromaticContact CE2-CG 3.69Å; F400-Y432 HydrophobicContact CE2-CG 3.69Å; A419-Y432 CarbonylContact C-O 3.59Å; A419-Y432 VanDerWaalsContact CA-O 3.25Å; A419-Y432 WeakPolarHBondContact CA-O 3.4Å; V420-Y432 PolarHBondContact N-O 2.98Å; V420-Y432 PolarHBondContact O-N 3.07Å; A422-Y432 HydrophobicContact CB-CD2 4.31Å; A422-Y432 HydrophobicContact CB-CE2 3.65Å; E425-Y432 PolarHBondContact OE2-OH 3.5Å; A430-Y432 HydrophobicContact CB-CE2 4.02Å; Y432-P445 HydrophobicContact CD1-CB 4.32Å; Y432-P445 HydrophobicContact CD1-CG 4.12Å; Y432-I448 HydrophobicContact CD1-CD1 4.03Å; Y432-I448 HydrophobicContact CD1-CG1 3.84Å; Y432-I448 HydrophobicContact CD1-CG2 4.06Å; Y432-I448 HydrophobicContact CE1-CD1 3.96Å; Y432-I448 HydrophobicContact CE1-CG1 4.2Å; Y432-I448 HydrophobicContact CE1-CG2 3.98Å
433I95.1Very high91.4Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-104.6130.6-179.2-63.7161.8000108.9I31 L407 A419 P445 T446 Q447 I449I31-I433 HydrophobicContact CD1-CD1 3.38Å; I31-I433 HydrophobicContact CD1-CG1 4.43Å; I31-I433 HydrophobicContact CG1-CD1 4.02Å; L407-I433 HydrophobicContact CD1-CG1 4.31Å; L407-I433 HydrophobicContact CD1-CG2 3.79Å; A419-I433 HydrophobicContact CB-CG1 4.48Å; I433-P445 CarbonylContact O-C 3.57Å; I433-P445 WeakPolarHBondContact O-CA 3.49Å; I433-P445 WeakPolarHBondContact O-CB 3.34Å; I433-T446 PolarHBondContact O-N 3.16Å; I433-T446 PolarHBondContact O-OG1 2.88Å; I433-Q447 HydrophobicContact CB-CB 4.35Å; I433-Q447 HydrophobicContact CD1-CB 3.95Å; I433-Q447 HydrophobicContact CD1-CG 4.08Å; I433-Q447 PolarHBondContact N-O 3.4Å; I433-I449 HydrophobicContact CD1-CD1 3.69Å; I433-I449 HydrophobicContact CD1-CG1 4.22Å
434Y94.7Very high90.8Very high1 Ų139.6 Ų39.60%0.00420%0.195CC..EExtended strand (participates in β ladder)trans-123.9132.9179.9-67.8-84.8000109I385 F400 D417 F418 V420 I442 Q443 P445I385-Y434 HydrophobicContact CD1-CD1 4.37Å; I385-Y434 HydrophobicContact CD1-CE1 4.31Å; I385-Y434 HydrophobicContact CG2-CE1 3.84Å; I385-Y434 WeakPolarHBondContact CG2-OH 3.38Å; F400-Y434 HydrophobicContact CE2-CE2 4.08Å; F400-Y434 AromaticContact CZ-CE2 3.91Å; F400-Y434 HydrophobicContact CZ-CE2 3.91Å; F400-Y434 AromaticContact CZ-CZ 3.96Å; F400-Y434 VanDerWaalsContact CZ-OH 3.31Å; F400-Y434 WeakPolarHBondContact CZ-OH 3.46Å; D417-Y434 WeakPolarHBondContact CB-O 3.31Å; F418-Y434 HydrophobicContact CD2-CD2 4.3Å; F418-Y434 HydrophobicContact CE1-CG 4.35Å; F418-Y434 AromaticContact CE2-CD2 3.66Å; F418-Y434 HydrophobicContact CE2-CD2 3.66Å; F418-Y434 AromaticContact CE2-CG 3.94Å; F418-Y434 HydrophobicContact CE2-CG 3.94Å; F418-Y434 AromaticContact CZ-CD2 3.97Å; F418-Y434 HydrophobicContact CZ-CD2 3.97Å; F418-Y434 AromaticContact CZ-CG 3.74Å; F418-Y434 HydrophobicContact CZ-CG 3.74Å; F418-Y434 PolarHBondContact N-O 3.49Å; F418-Y434 PolarHBondContact O-N 3.26Å; V420-Y434 HydrophobicContact CB-CE2 4.3Å; V420-Y434 HydrophobicContact CG2-CD2 3.99Å; V420-Y434 HydrophobicContact CG2-CE2 3.9Å; Y434-I442 HydrophobicContact CD1-CG2 3.55Å; Y434-I442 HydrophobicContact CE1-CG2 4.47Å; Y434-I442 HydrophobicContact CG-CG2 4Å; Y434-Q443 WeakPolarHBondContact CD1-O 3.36Å; Y434-Q443 WeakPolarHBondContact CE1-O 3.47Å; Y434-P445 HydrophobicContact CD1-CB 4.32Å; Y434-P445 HydrophobicContact CE1-CB 3.86Å; Y434-P445 HydrophobicContact CE1-CG 4.3Å; Y434-P445 HydrophobicContact CE2-CB 4.41Å
435H92.4Very high90.5Very high8 Ų835 Ų354%0.03718%0.18CC..  trans-96.9144.4175.2-63.54000111.4F29 N411 D417 I442 T446 R739F29-H435 AromaticContact CD1-NE2 3.6Å; F29-H435 AromaticContact CE1-NE2 3.84Å; N411-H435 PolarHBondContact ND2-CD2 2.85Å; N411-H435 VanDerWaalsContact ND2-CD2 3.26Å; D417-H435 WeakPolarHBondContact OD1-CA 3.28Å; D417-H435 VanDerWaalsContact OD1-CB 3.32Å; D417-H435 WeakPolarHBondContact OD1-CB 3.42Å; D417-H435 IonicContact OD1-CG 3.83Å; D417-H435 IonicContact OD1-ND1 2.72Å; D417-H435 IonicContact OD2-ND1 3.72Å; H435-I442 WeakPolarHBondContact O-CD1 3.49Å; H435-T446 HydrophobicContact CB-CG2 3.97Å; H435-T446 PolarHBondContact CE1-OG1 2.69Å; H435-T446 PolarHBondContact ND1-OG1 2.65Å; H435-R739 PolarHBondContact CD2-NH2 3.38Å; H435-R739 VanDerWaalsContact CD2-NH2 3.3Å
436G92.3Very high90.3Very high5 Ų535.6 Ų35.65%0.05218%0.184CC..  trans-61.4170.3170.600000111.9I321 Q416 D417I321-G436 CarbonylContact O-C 3.54Å; I321-G436 VanDerWaalsContact O-CA 3.27Å; I321-G436 WeakPolarHBondContact O-CA 3.15Å; Q416-G436 WeakPolarHBondContact O-CA 3.37Å; Q416-G436 PolarHBondContact O-N 3.1Å; D417-G436 PolarHBondContact OD1-N 3.13Å
437S89.7Confident90.4Very high15 Ų1532.3 Ų32.311%0.10517%0.167CC..  trans-162.3151.517370.80000111.1I321 N322 S439 G440 K441I321-S437 PolarHBondContact O-N 3.22Å; N322-S437 VanDerWaalsContact CA-O 3.29Å; N322-S437 WeakPolarHBondContact CA-O 3.33Å; S437-S439 PolarHBondContact O-N 3.09Å; S437-S439 PolarHBondContact OG-OG 2.78Å; S437-G440 PolarHBondContact O-N 2.64Å; S437-K441 PolarHBondContact OG-O 3.01Å
438K87.9Confident90.5Very high175 Ų17528.5 Ų28.576%0.76115%0.146SC*.THydrogen-bonded Turntrans-50-29.9177.8-167172.1-179174.30115.7F415 G440F415-K438 HydrophobicContact CE1-CB 3.93Å; F415-K438 HydrophobicContact CE2-CB 4.47Å; F415-K438 HydrophobicContact CZ-CB 3.61Å; F415-K438 HydrophobicContact CZ-CG 4.35Å; K438-G440 VanDerWaalsContact C-N 3.31Å
439S84.2Confident90.6Very high63 Ų6327.6 Ų27.644%0.44114%0.137SC..THydrogen-bonded Turntrans-81.8-11.1179.764.80000113.3S437 K441S437-S439 PolarHBondContact O-N 3.09Å; S437-S439 PolarHBondContact OG-OG 2.78Å; S439-K441 PolarHBondContact O-N 2.92Å; S439-K441 VanDerWaalsContact O-N 3.16Å; S439-K441 PolarHBondContact OG-N 2.66Å
440G85Confident90.6Very high1 Ų128 Ų281%0.0114%0.139CC..SBendtrans68.8-3.2-16900000114.3S437 K438 I442S437-G440 PolarHBondContact O-N 2.64Å; K438-G440 VanDerWaalsContact C-N 3.31Å; G440-I442 PolarHBondContact O-N 3.46Å
441K87.9Confident90.5Very high61 Ų6128.1 Ų28.127%0.26514%0.141SC..  trans-84.8111175.5-68.4-63.2-174.4-172.10109.4P379 E380 Y382 S437 S439P379-K441 PolarHBondContact O-NZ 1.99Å; E380-K441 VanDerWaalsContact O-CE 3.27Å; E380-K441 WeakPolarHBondContact O-CE 3.29Å; E380-K441 PolarHBondContact O-NZ 3.39Å; Y382-K441 PolarHBondContact O-NZ 2.6Å; S437-K441 PolarHBondContact OG-O 3.01Å; S439-K441 PolarHBondContact O-N 2.92Å; S439-K441 VanDerWaalsContact O-N 3.16Å; S439-K441 PolarHBondContact OG-N 2.66Å
442I89.5Confident90.3Very high3 Ų333.9 Ų33.92%0.01517%0.171CC..  trans-78.1137.9-179.5-60-55000110.5I321 I353 Q383 I385 F418 Y434 H435 G440I321-I442 HydrophobicContact CB-CD1 4.2Å; I321-I442 HydrophobicContact CD1-CD1 3.63Å; I321-I442 HydrophobicContact CD1-CG1 3.7Å; I321-I442 HydrophobicContact CG1-CD1 4.47Å; I353-I442 HydrophobicContact CD1-CB 3.85Å; I353-I442 HydrophobicContact CD1-CG1 3.39Å; I353-I442 HydrophobicContact CD1-CG2 4.37Å; Q383-I442 PolarHBondContact NE2-O 3.14Å; Q383-I442 PolarHBondContact OE1-O 2.82Å; I385-I442 HydrophobicContact CD1-CB 3.75Å; I385-I442 HydrophobicContact CD1-CG2 3.49Å; I385-I442 VanDerWaalsContact CD1-CG2 3.49Å; F418-I442 HydrophobicContact CE1-CD1 4.1Å; F418-I442 HydrophobicContact CE1-CG1 4.03Å; F418-I442 HydrophobicContact CE1-CG2 4.12Å; F418-I442 HydrophobicContact CZ-CG1 4.4Å; F418-I442 HydrophobicContact CZ-CG2 4.02Å; Y434-I442 HydrophobicContact CD1-CG2 3.55Å; Y434-I442 HydrophobicContact CE1-CG2 4.47Å; Y434-I442 HydrophobicContact CG-CG2 4Å; H435-I442 WeakPolarHBondContact O-CD1 3.49Å; G440-I442 PolarHBondContact O-N 3.46Å
443Q82.6Confident89.9Confident36 Ų3638.2 Ų38.217%0.16819%0.194CC..  trans-89-171.5-171.7-49-167.5600112.2Y434 W585Y434-Q443 WeakPolarHBondContact CD1-O 3.36Å; Y434-Q443 WeakPolarHBondContact CE1-O 3.47Å; Q443-W585 HydrophobicContact CB-CH2 3.63Å; Q443-W585 HydrophobicContact CB-CZ2 3.33Å; Q443-W585 HydrophobicContact CG-CD2 4.05Å; Q443-W585 VanDerWaalsContact CG-CE2 3.44Å; Q443-W585 HydrophobicContact CG-CE3 4.29Å; Q443-W585 HydrophobicContact CG-CH2 3.4Å; Q443-W585 HydrophobicContact CG-CZ2 3.1Å; Q443-W585 HydrophobicContact CG-CZ3 3.98Å; Q443-W585 VanDerWaalsContact OE1-CZ2 3.25Å
444K84.2Confident89.7Confident153 Ų15338.7 Ų38.767%0.66520%0.197SC*.SBendtrans-56.2150.7160.4-72.8-177.4-177.9174.40109.7T446K444-T446 PolarHBondContact O-N 3.43Å
445P89Confident89.3Confident21 Ų2145.5 Ų45.514%0.13623%0.229CC..  trans-56.8138.2177.525.9-35.9000110.7P388 Y432 I433 Y434 I448P388-P445 HydrophobicContact CG-CG 3.65Å; Y432-P445 HydrophobicContact CD1-CB 4.32Å; Y432-P445 HydrophobicContact CD1-CG 4.12Å; I433-P445 CarbonylContact O-C 3.57Å; I433-P445 WeakPolarHBondContact O-CA 3.49Å; I433-P445 WeakPolarHBondContact O-CB 3.34Å; Y434-P445 HydrophobicContact CD1-CB 4.32Å; Y434-P445 HydrophobicContact CE1-CB 3.86Å; Y434-P445 HydrophobicContact CE1-CG 4.3Å; Y434-P445 HydrophobicContact CE2-CB 4.41Å; P445-I448 HydrophobicContact CB-CG1 4.03Å; P445-I448 HydrophobicContact CG-CD1 3.82Å; P445-I448 HydrophobicContact CG-CG1 3.8Å
446T87.8Confident89.1Confident20 Ų2046.9 Ų46.912%0.12324%0.239CC..SBendtrans-79.5-32-177.263.30000111.3I433 H435 K444I433-T446 PolarHBondContact O-N 3.16Å; I433-T446 PolarHBondContact O-OG1 2.88Å; H435-T446 HydrophobicContact CB-CG2 3.97Å; H435-T446 PolarHBondContact CE1-OG1 2.69Å; H435-T446 PolarHBondContact ND1-OG1 2.65Å; K444-T446 PolarHBondContact O-N 3.43Å
447Q90.6Very high88.7Confident2 Ų252.4 Ų52.41%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-144.2140.4172.3176.6168.6-6.500109.4F29 I31 I433 I449F29-Q447 VanDerWaalsContact C-OE1 3.26Å; F29-Q447 PolarHBondContact O-OE1 3.43Å; I31-Q447 PolarHBondContact O-NE2 3.19Å; I433-Q447 HydrophobicContact CB-CB 4.35Å; I433-Q447 HydrophobicContact CD1-CB 3.95Å; I433-Q447 HydrophobicContact CD1-CG 4.08Å; I433-Q447 PolarHBondContact N-O 3.4Å; Q447-I449 HydrophobicContact CG-CG1 3.99Å
448I92.9Very high88.7Confident16 Ų1654.6 Ų54.68%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-119.1126.2172.1-54.6175.1000106.4P388 H390 V431 Y432 P445P388-I448 HydrophobicContact CG-CD1 4.15Å; H390-I448 HydrophobicContact CB-CD1 3.62Å; V431-I448 WeakPolarHBondContact O-CA 3.34Å; Y432-I448 HydrophobicContact CD1-CD1 4.03Å; Y432-I448 HydrophobicContact CD1-CG1 3.84Å; Y432-I448 HydrophobicContact CD1-CG2 4.06Å; Y432-I448 HydrophobicContact CE1-CD1 3.96Å; Y432-I448 HydrophobicContact CE1-CG1 4.2Å; Y432-I448 HydrophobicContact CE1-CG2 3.98Å; P445-I448 HydrophobicContact CB-CG1 4.03Å; P445-I448 HydrophobicContact CG-CD1 3.82Å; P445-I448 HydrophobicContact CG-CG1 3.8Å
449I94.3Very high88.9Confident0 Ų051.4 Ų51.40%028%0.278CS..EExtended strand (participates in β ladder)trans-108.5108.6-176.3-54.1-178.9000107.9I31 L33 A430 V431 I433 Q447 L454 F463 I484 L495I31-I449 HydrophobicContact CG2-CD1 4.3Å; L33-I449 HydrophobicContact CD1-CG1 4.48Å; L33-I449 HydrophobicContact CD1-CG2 4.45Å; L33-I449 HydrophobicContact CD2-CB 4.4Å; L33-I449 HydrophobicContact CD2-CD1 3.88Å; L33-I449 HydrophobicContact CD2-CG1 3.93Å; L33-I449 HydrophobicContact CD2-CG2 3.72Å; A430-I449 VanDerWaalsContact CA-O 3.32Å; A430-I449 WeakPolarHBondContact CA-O 3.25Å; V431-I449 HydrophobicContact CB-CB 4.35Å; V431-I449 PolarHBondContact N-O 3.23Å; V431-I449 PolarHBondContact O-N 3.19Å; I433-I449 HydrophobicContact CD1-CD1 3.69Å; I433-I449 HydrophobicContact CD1-CG1 4.22Å; Q447-I449 HydrophobicContact CG-CG1 3.99Å; I449-L454 HydrophobicContact CG2-CD1 3.57Å; I449-F463 HydrophobicContact CB-CE1 4.48Å; I449-F463 HydrophobicContact CG2-CE1 3.88Å; I449-F463 HydrophobicContact CG2-CZ 3.91Å; I449-I484 HydrophobicContact CD1-CD1 4.25Å; I449-I484 HydrophobicContact CG2-CD1 4.44Å; I449-L495 HydrophobicContact CD1-CD1 3.71Å; I449-L495 HydrophobicContact CG2-CD1 4.2Å
450C94Very high89.4Confident7 Ų748.9 Ų48.95%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-86.9137.8174.4-50.60000110.4C392 N452 D453 L454C392-C450 WeakPolarHBondContact CA-SG 3.22Å; C392-C450 HydrophobicContact CB-CB 3.62Å; C392-C450 WeakPolarHBondContact CB-SG 3.39Å; C392-C450 PolarHBondContact N-SG 2.88Å; C392-C450 VanDerWaalsContact N-SG 3.43Å; C392-C450 WeakPolarHBondContact SG-CA 2.82Å; C392-C450 WeakPolarHBondContact SG-CB 3.44Å; C392-C450 CovalentContact SG-SG 2Å; C392-C450 PolarHBondContact SG-SG 3.33Å; C450-N452 PolarHBondContact O-N 3.12Å; C450-D453 HydrophobicContact CB-CB 4.23Å; C450-D453 WeakPolarHBondContact CB-OD2 3.39Å; C450-D453 PolarHBondContact O-N 3.03Å; C450-D453 PolarHBondContact SG-OD2 3.38Å; C450-D453 VanDerWaalsContact SG-OD2 3.4Å; C450-L454 VanDerWaalsContact O-CD1 3.31Å; C450-L454 WeakPolarHBondContact O-CD1 3.37Å
451A94.6Very high89.9Confident4 Ų453.9 Ų53.93%0.03328%0.282CS..G310 helixtrans-56.1-37.4177.800000112.8G429 D453 L454 L460 F463G429-A451 WeakPolarHBondContact O-CB 3.48Å; G429-A451 PolarHBondContact O-N 3.14Å; G429-A451 VanDerWaalsContact O-N 3.08Å; A451-D453 VanDerWaalsContact C-N 3.3Å; A451-D453 PolarHBondContact O-N 3Å; A451-L454 PolarHBondContact O-N 2.7Å; A451-L460 HydrophobicContact CB-CB 4.1Å; A451-F463 HydrophobicContact CB-CB 3.53Å; A451-F463 HydrophobicContact CB-CD1 3.88Å; A451-F463 HydrophobicContact CB-CD2 4.3Å; A451-F463 HydrophobicContact CB-CG 3.66Å
452N91.5Very high90.2Very high121 Ų12151.3 Ų51.365%0.64727%0.273SS*.G310 helixtrans-74.4-14179.1-172.872.7000114.5N427 C450 L454N427-N452 HydrophobicContact CB-CB 4.08Å; C450-N452 PolarHBondContact O-N 3.12Å; N452-L454 VanDerWaalsContact C-N 3.32Å
453D88.7Confident90.6Very high90 Ų9051.2 Ų51.248%0.48127%0.272SS..G310 helixtrans-81.8-16.1176.9-67.7-17.5000112.1C450 A451C450-D453 HydrophobicContact CB-CB 4.23Å; C450-D453 WeakPolarHBondContact CB-OD2 3.39Å; C450-D453 PolarHBondContact O-N 3.03Å; C450-D453 PolarHBondContact SG-OD2 3.38Å; C450-D453 VanDerWaalsContact SG-OD2 3.4Å; A451-D453 VanDerWaalsContact C-N 3.3Å; A451-D453 PolarHBondContact O-N 3Å
454L90Very high91.3Very high10 Ų1049.5 Ų49.55%0.05226%0.264CS..SBendtrans-82.8130.1175.5-78.875.4000110.2P36 I449 C450 A451 N452 S456 L460 F463 A493 L495P36-L454 HydrophobicContact CB-CD2 4.01Å; P36-L454 HydrophobicContact CB-CG 4.39Å; P36-L454 HydrophobicContact CG-CB 4.48Å; P36-L454 HydrophobicContact CG-CG 4.49Å; I449-L454 HydrophobicContact CG2-CD1 3.57Å; C450-L454 VanDerWaalsContact O-CD1 3.31Å; C450-L454 WeakPolarHBondContact O-CD1 3.37Å; A451-L454 PolarHBondContact O-N 2.7Å; N452-L454 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 3.33Å; L454-L460 HydrophobicContact CB-CD1 4.44Å; L454-L460 HydrophobicContact CD2-CD1 4.4Å; L454-F463 HydrophobicContact CD1-CZ 4.13Å; L454-F463 HydrophobicContact CD2-CE2 4.06Å; L454-F463 HydrophobicContact CD2-CZ 4.14Å; L454-A493 HydrophobicContact CD2-CB 3.57Å; L454-L495 HydrophobicContact CD2-CD2 4Å
455Q85.9Confident91.9Very high145 Ų14544.9 Ų44.968%0.67824%0.244SC*.  trans-68.8103.1170.5-66.2-176.519.300109.6L38L38-Q455 VanDerWaalsContact CD1-O 3.32Å; L38-Q455 WeakPolarHBondContact CD1-O 3.47Å
456S88Confident92.3Very high36 Ų3644.3 Ų44.325%0.25224%0.241SC..  trans-125.4142.4-179.5176.70000111.4L38 L454 R458L38-S456 VanDerWaalsContact CD1-CA 3.46Å; L454-S456 PolarHBondContact O-N 3.33Å; S456-R458 VanDerWaalsContact CB-O 3.3Å; S456-R458 WeakPolarHBondContact CB-O 3.5Å; S456-R458 PolarHBondContact O-N 3.41Å; S456-R458 PolarHBondContact OG-N 3.37Å; S456-R458 PolarHBondContact OG-O 3.23Å
457P85.3Confident92.7Very high121 Ų12144 Ų4479%0.78624%0.238SC*.SBendtrans-66.4-17.1177.127.8-35.4000113.1
458R89Confident92.7Very high61 Ų6144 Ų4423%0.2324%0.239CC..SBendtrans-138.2151.4175.262.3-179.5179.2-169.9-1.2110.9D43 S456 L460 S489 S490 S491D43-R458 IonicContact OD1-CZ 2.8Å; D43-R458 IonicContact OD1-NH1 3.23Å; D43-R458 PolarHBondContact OD1-NH1 3.36Å; S456-R458 VanDerWaalsContact CB-O 3.3Å; S456-R458 WeakPolarHBondContact CB-O 3.5Å; S456-R458 PolarHBondContact O-N 3.41Å; S456-R458 PolarHBondContact OG-N 3.37Å; S456-R458 PolarHBondContact OG-O 3.23Å; R458-L460 PolarHBondContact O-N 3.43Å; R458-S489 PolarHBondContact NE-O 3.1Å; R458-S489 PolarHBondContact NH2-O 3.27Å; R458-S490 PolarHBondContact NH2-O 3.32Å; R458-S491 VanDerWaalsContact CZ-OG 3.28Å; R458-S491 PolarHBondContact NE-OG 3.19Å; R458-S491 PolarHBondContact NH2-OG 3.37Å
459P92Very high92.4Very high109 Ų10943.5 Ų43.571%0.70824%0.236SC*.  trans-55.3131.3171.6-23.233.9000110.7
460L94.8Very high92.1Very high10 Ų1048.7 Ų48.75%0.05226%0.264CS..  trans-85133.2174.7-63175.8000108.4G428 A451 L454 R458 F463 A486G428-L460 WeakPolarHBondContact CA-O 3.33Å; A451-L460 HydrophobicContact CB-CB 4.1Å; L454-L460 HydrophobicContact CB-CD1 4.44Å; L454-L460 HydrophobicContact CD2-CD1 4.4Å; R458-L460 PolarHBondContact O-N 3.43Å; L460-F463 HydrophobicContact CB-CD2 4.48Å; L460-F463 HydrophobicContact CD1-CD2 3.86Å; L460-F463 HydrophobicContact CD1-CE2 4.06Å; L460-A486 HydrophobicContact CB-CB 4.25Å; L460-A486 HydrophobicContact CD2-CB 4.3Å
461E95.2Very high91.7Very high105 Ų10549.4 Ų49.449%0.49127%0.273SS..  trans-129.9138178.9-66.7-175.8-17900110.3G428 F463 A486 V488 S489G428-E461 CarbonylContact O-C 3.53Å; E461-F463 VanDerWaalsContact C-N 3.28Å; E461-A486 CarbonylContact O-C 3.56Å; E461-A486 VanDerWaalsContact O-C 3.27Å; E461-A486 WeakPolarHBondContact O-CA 3.11Å; E461-A486 WeakPolarHBondContact O-CB 3.39Å; E461-V488 HydrophobicContact CB-CB 3.92Å; E461-V488 HydrophobicContact CB-CG1 3.97Å; E461-V488 WeakPolarHBondContact O-CB 3.49Å; E461-V488 PolarHBondContact O-N 3.07Å; E461-S489 PolarHBondContact N-OG 2.93Å; E461-S489 VanDerWaalsContact N-OG 3.15Å; E461-S489 PolarHBondContact O-N 2.92Å; E461-S489 PolarHBondContact O-OG 2.77Å
462G95.1Very high91.4Very high7 Ų749.7 Ų49.77%0.07228%0.275CS..SBendtrans69.427-172.300000112.7G428 G464 F465 A486G428-G462 PolarHBondContact O-N 3.16Å; G462-G464 PolarHBondContact O-N 3.13Å; G462-F465 WeakPolarHBondContact O-CB 3.37Å; G462-F465 PolarHBondContact O-N 3.33Å; G462-F465 VanDerWaalsContact O-N 3.08Å; G462-A486 WeakPolarHBondContact O-CA 2.9Å
463F97.3Very high91.4Very high1 Ų145.5 Ų45.50%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-63.6127.6-179.9-176.8-97.4000111.1P423 G428 G429 A430 V431 I449 A451 L454 L460 E461 I484 A486 A493P423-F463 WeakPolarHBondContact CA-O 3.39Å; G428-F463 WeakPolarHBondContact O-CB 3.15Å; G428-F463 PolarHBondContact O-N 3.17Å; G429-F463 CarbonylContact C-O 3.58Å; G429-F463 WeakPolarHBondContact CA-O 3.36Å; A430-F463 PolarHBondContact N-O 2.88Å; V431-F463 HydrophobicContact CB-CE1 4.45Å; V431-F463 HydrophobicContact CG2-CD1 4.16Å; V431-F463 HydrophobicContact CG2-CE1 3.86Å; I449-F463 HydrophobicContact CB-CE1 4.48Å; I449-F463 HydrophobicContact CG2-CE1 3.88Å; I449-F463 HydrophobicContact CG2-CZ 3.91Å; A451-F463 HydrophobicContact CB-CB 3.53Å; A451-F463 HydrophobicContact CB-CD1 3.88Å; A451-F463 HydrophobicContact CB-CD2 4.3Å; A451-F463 HydrophobicContact CB-CG 3.66Å; L454-F463 HydrophobicContact CD1-CZ 4.13Å; L454-F463 HydrophobicContact CD2-CE2 4.06Å; L454-F463 HydrophobicContact CD2-CZ 4.14Å; L460-F463 HydrophobicContact CB-CD2 4.48Å; L460-F463 HydrophobicContact CD1-CD2 3.86Å; L460-F463 HydrophobicContact CD1-CE2 4.06Å; E461-F463 VanDerWaalsContact C-N 3.28Å; F463-I484 HydrophobicContact CD1-CG2 4.03Å; F463-I484 HydrophobicContact CD2-CB 4.48Å; F463-I484 HydrophobicContact CD2-CG2 3.7Å; F463-I484 HydrophobicContact CE1-CD1 3.94Å; F463-I484 HydrophobicContact CE1-CG2 3.81Å; F463-I484 HydrophobicContact CE2-CB 3.84Å; F463-I484 HydrophobicContact CE2-CD1 4.21Å; F463-I484 HydrophobicContact CE2-CG2 3.46Å; F463-I484 VanDerWaalsContact CE2-CG2 3.46Å; F463-I484 HydrophobicContact CG-CG2 3.99Å; F463-I484 HydrophobicContact CZ-CB 3.91Å; F463-I484 HydrophobicContact CZ-CD1 3.43Å; F463-I484 VanDerWaalsContact CZ-CD1 3.43Å; F463-I484 HydrophobicContact CZ-CG1 4.26Å; F463-I484 HydrophobicContact CZ-CG2 3.53Å; F463-A486 HydrophobicContact CB-CB 4.19Å; F463-A486 HydrophobicContact CD2-CB 4.27Å; F463-A493 HydrophobicContact CE2-CB 4.05Å
464G97Very high91.4Very high0 Ų041.7 Ų41.70%023%0.232CC..EExtended strand (participates in β ladder)trans86.318-171.100000113T403 G421 G462 S466 G485T403-G464 WeakPolarHBondContact CG2-O 3.5Å; G421-G464 WeakPolarHBondContact CA-O 3.04Å; G462-G464 PolarHBondContact O-N 3.13Å; G464-S466 VanDerWaalsContact C-N 3.35Å; G464-G485 PolarHBondContact N-O 3.27Å
465F97.5Very high91.3Very high56 Ų5643.1 Ų43.125%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-68.1-38.8170.6-178.3-87.9000111.3F49 P423 G462 G485 A487F49-F465 HydrophobicContact CD1-CE1 4.3Å; F49-F465 HydrophobicContact CD2-CD1 4.35Å; F49-F465 AromaticContact CD2-CE1 3.44Å; F49-F465 HydrophobicContact CD2-CE1 3.44Å; F49-F465 VanDerWaalsContact CD2-CE1 3.44Å; F49-F465 AromaticContact CD2-CZ 3.89Å; F49-F465 HydrophobicContact CD2-CZ 3.89Å; F49-F465 HydrophobicContact CE1-CE1 4.23Å; F49-F465 AromaticContact CE2-CE1 3.37Å; F49-F465 HydrophobicContact CE2-CE1 3.37Å; F49-F465 AromaticContact CE2-CZ 3.38Å; F49-F465 HydrophobicContact CE2-CZ 3.38Å; F49-F465 AromaticContact CG-CE1 3.91Å; F49-F465 HydrophobicContact CG-CE1 3.91Å; F49-F465 AromaticContact CZ-CE1 3.77Å; F49-F465 HydrophobicContact CZ-CE1 3.77Å; F49-F465 AromaticContact CZ-CZ 3.82Å; F49-F465 HydrophobicContact CZ-CZ 3.82Å; P423-F465 HydrophobicContact CB-CB 4.08Å; P423-F465 HydrophobicContact CB-CD2 4.46Å; G462-F465 WeakPolarHBondContact O-CB 3.37Å; G462-F465 PolarHBondContact O-N 3.33Å; G462-F465 VanDerWaalsContact O-N 3.08Å; F465-G485 PolarHBondContact N-O 2.64Å; F465-A487 HydrophobicContact CB-CB 4.38Å; F465-A487 HydrophobicContact CD1-CB 3.93Å; F465-A487 HydrophobicContact CE1-CB 4.49Å; F465-A487 HydrophobicContact CG-CB 4.14Å
466S97.5Very high91.4Very high9 Ų942.8 Ų42.86%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-132.5146.5173.368.80000109.4G48 F49 L51 G464 G485G48-S466 PolarHBondContact O-OG 3.28Å; F49-S466 VanDerWaalsContact O-CB 3.24Å; F49-S466 WeakPolarHBondContact O-CB 3.28Å; L51-S466 WeakPolarHBondContact CD1-OG 3.47Å; L51-S466 WeakPolarHBondContact CG-OG 3.38Å; G464-S466 VanDerWaalsContact C-N 3.35Å; S466-G485 PolarHBondContact O-N 2.76Å; S466-G485 WeakPolarHBondContact OG-CA 3.26Å
467L96.6Very high91.4Very high14 Ų1441.4 Ų41.47%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-127.4143.5174.7-53.8173.8000107.6T403 T405 A419 V431 M482 A483 I484T403-L467 HydrophobicContact CG2-CD1 3.82Å; T403-L467 HydrophobicContact CG2-CG 3.65Å; T405-L467 HydrophobicContact CG2-CB 3.42Å; T405-L467 VanDerWaalsContact CG2-CB 3.42Å; T405-L467 HydrophobicContact CG2-CD1 4.03Å; T405-L467 HydrophobicContact CG2-CG 4.37Å; A419-L467 HydrophobicContact CB-CD1 3.96Å; V431-L467 HydrophobicContact CB-CD2 4.47Å; V431-L467 HydrophobicContact CG1-CD1 4.31Å; V431-L467 HydrophobicContact CG1-CD2 3.96Å; V431-L467 HydrophobicContact CG2-CD2 3.61Å; L467-M482 HydrophobicContact CB-CE 4.04Å; L467-M482 HydrophobicContact CD1-CE 3.96Å; L467-M482 HydrophobicContact CD2-CE 3.7Å; L467-M482 HydrophobicContact CG-CE 4.09Å; L467-A483 WeakPolarHBondContact CA-O 3.45Å; L467-I484 HydrophobicContact CD2-CB 4.33Å; L467-I484 HydrophobicContact CD2-CG1 3.97Å; L467-I484 HydrophobicContact CD2-CG2 3.97Å
468G89.5Confident91.6Very high2 Ų237.5 Ų37.52%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-141-172.6-174.500000114.1N470 A483G468-N470 VanDerWaalsContact C-N 3.35Å; G468-A483 PolarHBondContact N-O 2.88Å
469L87.3Confident91.7Very high5 Ų534.6 Ų34.63%0.02620%0.199CC..  trans84.2-26-174.4-51.4-170.7000115.7V63 G471 A472 L474 D481 A483V63-L469 HydrophobicContact CG2-CD2 4.04Å; L469-G471 PolarHBondContact O-N 3.46Å; L469-G471 VanDerWaalsContact O-N 3.16Å; L469-A472 HydrophobicContact CB-CB 4.22Å; L469-A472 WeakPolarHBondContact O-CB 3.28Å; L469-A472 PolarHBondContact O-N 3.45Å; L469-L474 HydrophobicContact CD1-CD1 3.54Å; L469-L474 HydrophobicContact CD1-CG 3.93Å; L469-L474 HydrophobicContact CD2-CD1 3.83Å; L469-L474 HydrophobicContact CD2-CD2 4.35Å; L469-L474 HydrophobicContact CD2-CG 4.35Å; L469-L474 HydrophobicContact CG-CD1 4.38Å; L469-D481 HydrophobicContact CD1-CB 3.67Å; L469-A483 HydrophobicContact CD1-CB 4.2Å; L469-A483 HydrophobicContact CD2-CB 4.08Å; L469-A483 HydrophobicContact CG-CB 3.81Å
470N86.6Confident91.8Very high110 Ų11030 Ų3059%0.58817%0.169SC*.THydrogen-bonded Turntrans48.441.9175.6-66.3-20.7000112.8T405 K406 G468T405-N470 PolarHBondContact OG1-OD1 3.2Å; K406-N470 CarbonylContact O-C 3.53Å; K406-N470 VanDerWaalsContact O-CA 3.23Å; K406-N470 WeakPolarHBondContact O-CA 3.08Å; G468-N470 VanDerWaalsContact C-N 3.35Å
471G86.3Confident91.7Very high22 Ų2229.6 Ų29.623%0.22717%0.167CC..THydrogen-bonded Turntrans81.414.8-177.400000116.2K406 L407 L469K406-G471 PolarHBondContact O-N 3Å; K406-G471 VanDerWaalsContact O-N 3.16Å; L407-G471 WeakPolarHBondContact O-CA 3.45Å; L469-G471 PolarHBondContact O-N 3.46Å; L469-G471 VanDerWaalsContact O-N 3.16Å
472A89Confident91.7Very high10 Ų1024.6 Ų24.68%0.08314%0.144CC..  trans-76.3131.8175.700000112.2L469 D481L469-A472 HydrophobicContact CB-CB 4.22Å; L469-A472 WeakPolarHBondContact O-CB 3.28Å; L469-A472 PolarHBondContact O-N 3.45Å; A472-D481 PolarHBondContact O-N 3.18Å
473D90.7Very high91.7Very high32 Ų3224.3 Ų24.317%0.17114%0.14CC..  trans-87.2114.6167.8172.70.2000109.3K61 D475 E476 N477 G478 Y479K61-D473 WeakPolarHBondContact CD-O 3.49Å; K61-D473 PolarHBondContact NZ-O 2.83Å; D473-D475 PolarHBondContact OD1-N 3.05Å; D473-D475 VanDerWaalsContact OD1-N 3.16Å; D473-E476 WeakPolarHBondContact OD1-CA 3.39Å; D473-E476 PolarHBondContact OD1-N 3.38Å; D473-E476 VanDerWaalsContact OD2-CA 3.25Å; D473-E476 WeakPolarHBondContact OD2-CA 3.28Å; D473-N477 PolarHBondContact OD2-N 3.43Å; D473-G478 VanDerWaalsContact OD2-CA 3.3Å; D473-G478 WeakPolarHBondContact OD2-CA 2.9Å; D473-G478 PolarHBondContact OD2-N 2.74Å; D473-Y479 WeakPolarHBondContact CB-O 3.39Å; D473-Y479 VanDerWaalsContact CG-O 3.32Å
474L90Very high91.7Very high10 Ų1024.2 Ų24.25%0.05214%0.14CC..SBendtrans-92.5-24.9-177.2-59.9-178.7000113.3K61 V63 L81 L469 D481 V494K61-L474 HydrophobicContact CB-CD2 4.18Å; V63-L474 HydrophobicContact CG2-CD1 4.15Å; L81-L474 HydrophobicContact CD1-CB 3.95Å; L81-L474 HydrophobicContact CD1-CD1 3.83Å; L81-L474 HydrophobicContact CD2-CB 3.83Å; L81-L474 WeakPolarHBondContact CD2-O 3.45Å; L81-L474 HydrophobicContact CG-CB 4.37Å; L469-L474 HydrophobicContact CD1-CD1 3.54Å; L469-L474 HydrophobicContact CD1-CG 3.93Å; L469-L474 HydrophobicContact CD2-CD1 3.83Å; L469-L474 HydrophobicContact CD2-CD2 4.35Å; L469-L474 HydrophobicContact CD2-CG 4.35Å; L469-L474 HydrophobicContact CG-CD1 4.38Å; L474-D481 WeakPolarHBondContact CA-OD2 2.89Å; L474-D481 WeakPolarHBondContact CB-OD2 3.5Å; L474-D481 HydrophobicContact CG-CB 4.47Å; L474-D481 PolarHBondContact N-OD2 3.42Å; L474-V494 HydrophobicContact CD1-CG1 3.99Å
475D87.6Confident91.7Very high41 Ų4124.2 Ų24.222%0.21914%0.14CC..SBendtrans-103.90.6-178.973.84.8000115.3L81 D473 N477 D481 R496L81-D475 HydrophobicContact CD2-CB 4.03Å; D473-D475 PolarHBondContact OD1-N 3.05Å; D473-D475 VanDerWaalsContact OD1-N 3.16Å; D475-N477 VanDerWaalsContact C-N 3.32Å; D475-N477 PolarHBondContact O-N 3.33Å; D475-N477 PolarHBondContact OD1-N 2Å; D475-N477 PolarHBondContact OD1-OD1 2.73Å; D475-D481 PolarHBondContact N-OD2 2.8Å; D475-R496 WeakPolarHBondContact OD2-CD 3.42Å; D475-R496 IonicContact OD2-CZ 3.74Å; D475-R496 IonicContact OD2-NE 2.91Å; D475-R496 IonicContact OD2-NH1 3.81Å; D475-R496 PolarHBondContact OD2-NH1 3.21Å
476E87.5Confident91.7Very high137 Ų13721.6 Ų21.664%0.6413%0.129SC*.SBendtrans67.123.8173.1-64.4-179.2179.400114.9K61 D473 G478K61-E476 HydrophobicContact CD-CG 4.41Å; K61-E476 WeakPolarHBondContact CE-OE1 2.78Å; K61-E476 IonicContact NZ-OE1 3.47Å; K61-E476 PolarHBondContact NZ-OE1 3.11Å; D473-E476 WeakPolarHBondContact OD1-CA 3.39Å; D473-E476 PolarHBondContact OD1-N 3.38Å; D473-E476 VanDerWaalsContact OD2-CA 3.25Å; D473-E476 WeakPolarHBondContact OD2-CA 3.28Å; E476-G478 VanDerWaalsContact C-N 3.28Å
477N87.6Confident91.6Very high8 Ų821.2 Ų21.24%0.04313%0.126CC..SBendtrans-81.1-10.317674.43.1000114D473 D475 Y479 A497 K558 D731D473-N477 PolarHBondContact OD2-N 3.43Å; D475-N477 VanDerWaalsContact C-N 3.32Å; D475-N477 PolarHBondContact O-N 3.33Å; D475-N477 PolarHBondContact OD1-N 2Å; D475-N477 PolarHBondContact OD1-OD1 2.73Å; N477-Y479 WeakPolarHBondContact OD1-CB 2.94Å; N477-Y479 PolarHBondContact OD1-N 2.97Å; N477-A497 PolarHBondContact ND2-O 3Å; N477-K558 PolarHBondContact O-NZ 2.81Å; N477-D731 WeakPolarHBondContact CB-OD1 3.38Å; N477-D731 WeakPolarHBondContact CB-OD2 3Å; N477-D731 PolarHBondContact ND2-OD1 2.97Å
478G89.2Confident91.6Very high39 Ų3924.2 Ų24.240%0.40215%0.145SC..SBendtrans103.9-12.5-179.700000114.1H412 D473 E476H412-G478 PolarHBondContact CE1-O 2.97Å; H412-G478 PolarHBondContact NE2-O 2.03Å; D473-G478 VanDerWaalsContact OD2-CA 3.3Å; D473-G478 WeakPolarHBondContact OD2-CA 2.9Å; D473-G478 PolarHBondContact OD2-N 2.74Å; E476-G478 VanDerWaalsContact C-N 3.28Å
479Y92.4Very high91.9Very high0 Ų024.9 Ų24.90%015%0.149CC..SBendtrans-99.5136.5-178.4-69.5-101.3000110.4I410 H412 D473 N477 A497 P499 V500 D556I410-Y479 WeakPolarHBondContact O-CD1 3.47Å; H412-Y479 HydrophobicContact CB-CE1 4.25Å; H412-Y479 AromaticContact CG-CE1 3.78Å; H412-Y479 AromaticContact ND1-CE1 3.85Å; H412-Y479 AromaticContact ND1-CZ 3.69Å; H412-Y479 AromaticContact NE2-CD1 3.96Å; D473-Y479 WeakPolarHBondContact CB-O 3.39Å; D473-Y479 VanDerWaalsContact CG-O 3.32Å; N477-Y479 WeakPolarHBondContact OD1-CB 2.94Å; N477-Y479 PolarHBondContact OD1-N 2.97Å; Y479-A497 HydrophobicContact CG-CB 4.44Å; Y479-P499 HydrophobicContact CD2-CG 4.48Å; Y479-P499 HydrophobicContact CE2-CB 3.86Å; Y479-P499 HydrophobicContact CE2-CG 4.21Å; Y479-V500 HydrophobicContact CE1-CB 4.44Å; Y479-V500 HydrophobicContact CE1-CG2 3.92Å; Y479-V500 PolarHBondContact OH-N 3.04Å; Y479-V500 VanDerWaalsContact OH-N 3.14Å; Y479-D556 WeakPolarHBondContact CE2-OD2 3.5Å; Y479-D556 PolarHBondContact OH-OD2 3.26Å
480P92.9Very high92.3Very high12 Ų1224.7 Ų24.78%0.07815%0.148CC..PPolyproline II helixtrans-60.5140.2173.4-24.532.8000113.7L407 D409 I410 A497L407-P480 WeakPolarHBondContact O-CB 2.96Å; L407-P480 WeakPolarHBondContact O-CG 3.47Å; D409-P480 WeakPolarHBondContact O-CD 3.49Å; I410-P480 HydrophobicContact CG1-CB 4.35Å; I410-P480 WeakPolarHBondContact CG1-O 3.21Å; P480-A497 VanDerWaalsContact O-CB 3.27Å; P480-A497 WeakPolarHBondContact O-CB 3.22Å
481D93Very high92.7Very high2 Ų219.6 Ų19.61%0.01112%0.121CC..PPolyproline II helixtrans-99.4172.9175.7-68.4-39.4000111.8L469 A472 L474 D475 R496 A497L469-D481 HydrophobicContact CD1-CB 3.67Å; A472-D481 PolarHBondContact O-N 3.18Å; L474-D481 WeakPolarHBondContact CA-OD2 2.89Å; L474-D481 WeakPolarHBondContact CB-OD2 3.5Å; L474-D481 HydrophobicContact CG-CB 4.47Å; L474-D481 PolarHBondContact N-OD2 3.42Å; D475-D481 PolarHBondContact N-OD2 2.8Å; D481-R496 WeakPolarHBondContact OD1-CA 3.29Å; D481-R496 VanDerWaalsContact OD1-CB 3.3Å; D481-R496 WeakPolarHBondContact OD1-CB 3.29Å; D481-R496 WeakPolarHBondContact OD1-CG 3.43Å; D481-A497 PolarHBondContact OD1-N 3.26Å; D481-A497 VanDerWaalsContact OD1-N 3.11Å
482M94.4Very high93.1Very high0 Ų018.5 Ų18.50%011%0.11CC..EExtended strand (participates in β ladder)trans-130.3141.6176.8-165.7178.4-161.900113.7I31 T405 L407 A419 V431 L467 I484 V494 L495I31-M482 HydrophobicContact CD1-CB 4.05Å; I31-M482 HydrophobicContact CD1-SD 4.19Å; T405-M482 HydrophobicContact CG2-CE 4.04Å; L407-M482 HydrophobicContact CD2-CB 4.33Å; L407-M482 HydrophobicContact CD2-CE 3.97Å; L407-M482 HydrophobicContact CD2-CG 3.99Å; L407-M482 HydrophobicContact CD2-SD 3.98Å; A419-M482 HydrophobicContact CB-CE 3.2Å; A419-M482 HydrophobicContact CB-SD 4.23Å; V431-M482 HydrophobicContact CG1-CE 3.81Å; V431-M482 HydrophobicContact CG1-SD 4.24Å; L467-M482 HydrophobicContact CB-CE 4.04Å; L467-M482 HydrophobicContact CD1-CE 3.96Å; L467-M482 HydrophobicContact CD2-CE 3.7Å; L467-M482 HydrophobicContact CG-CE 4.09Å; M482-I484 HydrophobicContact CE-CG1 4.31Å; M482-I484 HydrophobicContact CG-CG1 4.24Å; M482-I484 HydrophobicContact SD-CD1 4.17Å; M482-I484 HydrophobicContact SD-CG1 4.13Å; M482-V494 CarbonylContact O-C 3.53Å; M482-V494 WeakPolarHBondContact O-CA 3.45Å; M482-L495 PolarHBondContact N-O 3.45Å; M482-L495 PolarHBondContact O-N 2.96Å; M482-L495 VanDerWaalsContact O-O 3.1Å
483A95.6Very high93.4Very high0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-119.4136.116800000111.2L51 L467 G468 L469 A493 V494L51-A483 HydrophobicContact CD1-CB 4.12Å; L467-A483 WeakPolarHBondContact CA-O 3.45Å; G468-A483 PolarHBondContact N-O 2.88Å; L469-A483 HydrophobicContact CD1-CB 4.2Å; L469-A483 HydrophobicContact CD2-CB 4.08Å; L469-A483 HydrophobicContact CG-CB 3.81Å; A483-A493 CarbonylContact C-O 3.43Å; A483-A493 WeakPolarHBondContact CA-O 3.46Å; A483-V494 HydrophobicContact CB-CG2 4.19Å
484I97.6Very high93.6Very high0 Ų016.6 Ų16.60%010%0.099CC..EExtended strand (participates in β ladder)trans-126.9125-175.4-55.2169.4000110V431 I449 F463 L467 M482 V492 A493 L495V431-I484 HydrophobicContact CB-CD1 4.18Å; V431-I484 HydrophobicContact CG1-CD1 4.37Å; V431-I484 HydrophobicContact CG2-CD1 3.89Å; V431-I484 HydrophobicContact CG2-CG1 4.2Å; V431-I484 HydrophobicContact CG2-CG2 3.71Å; I449-I484 HydrophobicContact CD1-CD1 4.25Å; I449-I484 HydrophobicContact CG2-CD1 4.44Å; F463-I484 HydrophobicContact CD1-CG2 4.03Å; F463-I484 HydrophobicContact CD2-CB 4.48Å; F463-I484 HydrophobicContact CD2-CG2 3.7Å; F463-I484 HydrophobicContact CE1-CD1 3.94Å; F463-I484 HydrophobicContact CE1-CG2 3.81Å; F463-I484 HydrophobicContact CE2-CB 3.84Å; F463-I484 HydrophobicContact CE2-CD1 4.21Å; F463-I484 HydrophobicContact CE2-CG2 3.46Å; F463-I484 VanDerWaalsContact CE2-CG2 3.46Å; F463-I484 HydrophobicContact CG-CG2 3.99Å; F463-I484 HydrophobicContact CZ-CB 3.91Å; F463-I484 HydrophobicContact CZ-CD1 3.43Å; F463-I484 VanDerWaalsContact CZ-CD1 3.43Å; F463-I484 HydrophobicContact CZ-CG1 4.26Å; F463-I484 HydrophobicContact CZ-CG2 3.53Å; L467-I484 HydrophobicContact CD2-CB 4.33Å; L467-I484 HydrophobicContact CD2-CG1 3.97Å; L467-I484 HydrophobicContact CD2-CG2 3.97Å; M482-I484 HydrophobicContact CE-CG1 4.31Å; M482-I484 HydrophobicContact CG-CG1 4.24Å; M482-I484 HydrophobicContact SD-CD1 4.17Å; M482-I484 HydrophobicContact SD-CG1 4.13Å; I484-V492 CarbonylContact O-C 3.56Å; I484-V492 VanDerWaalsContact O-CA 3.31Å; I484-V492 WeakPolarHBondContact O-CA 3.42Å; I484-A493 PolarHBondContact N-O 3.27Å; I484-A493 PolarHBondContact O-N 2.82Å; I484-L495 HydrophobicContact CD1-CD1 3.67Å
485G97.5Very high93.7Very high0 Ų016.1 Ų16.10%010%0.096CC..EExtended strand (participates in β ladder)trans-92.2135.9178.400000112.3G464 F465 S466G464-G485 PolarHBondContact N-O 3.27Å; F465-G485 PolarHBondContact N-O 2.64Å; S466-G485 PolarHBondContact O-N 2.76Å; S466-G485 WeakPolarHBondContact OG-CA 3.26Å
486A97.3Very high93.9Very high1 Ų114.6 Ų14.61%0.0089%0.087CC..EExtended strand (participates in β ladder)trans-119.770.117200000108.8L460 E461 G462 F463 V488 S489 S490 S491L460-A486 HydrophobicContact CB-CB 4.25Å; L460-A486 HydrophobicContact CD2-CB 4.3Å; E461-A486 CarbonylContact O-C 3.56Å; E461-A486 VanDerWaalsContact O-C 3.27Å; E461-A486 WeakPolarHBondContact O-CA 3.11Å; E461-A486 WeakPolarHBondContact O-CB 3.39Å; G462-A486 WeakPolarHBondContact O-CA 2.9Å; F463-A486 HydrophobicContact CB-CB 4.19Å; F463-A486 HydrophobicContact CD2-CB 4.27Å; A486-V488 VanDerWaalsContact C-N 3.29Å; A486-V488 PolarHBondContact O-N 2.92Å; A486-S489 VanDerWaalsContact CB-OG 3.31Å; A486-S489 WeakPolarHBondContact CB-OG 3.48Å; A486-S489 CarbonylContact O-C 3.57Å; A486-S489 PolarHBondContact O-N 3.42Å; A486-S489 VanDerWaalsContact O-N 3.08Å; A486-S489 PolarHBondContact O-OG 3.15Å; A486-S490 PolarHBondContact O-N 3.29Å; A486-S491 WeakPolarHBondContact CA-O 3.5Å; A486-S491 PolarHBondContact N-O 3.36Å; A486-S491 PolarHBondContact O-N 3.37Å
487A95.5Very high94.1Very high1 Ų18 Ų81%0.0086%0.057CC..THydrogen-bonded Turntrans-59.5-36-165.800000113.3S46 F465 S489 S490S46-A487 WeakPolarHBondContact CA-O 3.17Å; F465-A487 HydrophobicContact CB-CB 4.38Å; F465-A487 HydrophobicContact CD1-CB 3.93Å; F465-A487 HydrophobicContact CE1-CB 4.49Å; F465-A487 HydrophobicContact CG-CB 4.14Å; A487-S489 VanDerWaalsContact C-N 3.31Å; A487-S489 PolarHBondContact O-N 3.21Å; A487-S490 PolarHBondContact O-N 3.44Å
488V95.8Very high94.2Very high77 Ų778.8 Ų8.847%0.4676%0.059SC..THydrogen-bonded Turntrans-62.4-42.2178.6-177.30000110.6E461 A486 S490E461-V488 HydrophobicContact CB-CB 3.92Å; E461-V488 HydrophobicContact CB-CG1 3.97Å; E461-V488 WeakPolarHBondContact O-CB 3.49Å; E461-V488 PolarHBondContact O-N 3.07Å; A486-V488 VanDerWaalsContact C-N 3.29Å; A486-V488 PolarHBondContact O-N 2.92Å; V488-S490 VanDerWaalsContact C-N 3.31Å; V488-S490 PolarHBondContact O-N 3.24Å
489S95.6Very high94.4Very high15 Ų157.8 Ų7.811%0.1055%0.046CC..THydrogen-bonded Turntrans-86.17.4174.167.60000114.5R458 E461 A486 A487 S491R458-S489 PolarHBondContact NE-O 3.1Å; R458-S489 PolarHBondContact NH2-O 3.27Å; E461-S489 PolarHBondContact N-OG 2.93Å; E461-S489 VanDerWaalsContact N-OG 3.15Å; E461-S489 PolarHBondContact O-N 2.92Å; E461-S489 PolarHBondContact O-OG 2.77Å; A486-S489 VanDerWaalsContact CB-OG 3.31Å; A486-S489 WeakPolarHBondContact CB-OG 3.48Å; A486-S489 CarbonylContact O-C 3.57Å; A486-S489 PolarHBondContact O-N 3.42Å; A486-S489 VanDerWaalsContact O-N 3.08Å; A486-S489 PolarHBondContact O-OG 3.15Å; A487-S489 VanDerWaalsContact C-N 3.31Å; A487-S489 PolarHBondContact O-N 3.21Å; S489-S491 VanDerWaalsContact C-N 3.27Å; S489-S491 PolarHBondContact O-N 3.12Å; S489-S491 PolarHBondContact O-OG 2.99Å
490S95.7Very high94.3Very high1 Ų18.2 Ų8.21%0.0075%0.048CC..THydrogen-bonded Turntrans49.543.8-178.9-61.40000113.6G41 P42 S45 S46 F47 R458 A486 A487 V488G41-S490 PolarHBondContact N-O 3.43Å; P42-S490 WeakPolarHBondContact O-CB 3.2Å; P42-S490 PolarHBondContact O-OG 3.16Å; S45-S490 PolarHBondContact N-OG 2.99Å; S46-S490 PolarHBondContact N-OG 3.06Å; F47-S490 CarbonylContact O-C 3.54Å; F47-S490 VanDerWaalsContact O-C 3.29Å; F47-S490 VanDerWaalsContact O-CA 3.28Å; F47-S490 WeakPolarHBondContact O-CA 3.07Å; R458-S490 PolarHBondContact NH2-O 3.32Å; A486-S490 PolarHBondContact O-N 3.29Å; A487-S490 PolarHBondContact O-N 3.44Å; V488-S490 VanDerWaalsContact C-N 3.31Å; V488-S490 PolarHBondContact O-N 3.24Å
491S95.3Very high94.3Very high3 Ų38 Ų82%0.0215%0.047CC..EExtended strand (participates in β ladder)trans-133.4154-173.5-54.10000112.4K39 F47 R458 A486 S489K39-S491 CarbonylContact O-C 3.57Å; K39-S491 WeakPolarHBondContact O-CA 3.24Å; F47-S491 PolarHBondContact O-N 3.4Å; R458-S491 VanDerWaalsContact CZ-OG 3.28Å; R458-S491 PolarHBondContact NE-OG 3.19Å; R458-S491 PolarHBondContact NH2-OG 3.37Å; A486-S491 WeakPolarHBondContact CA-O 3.5Å; A486-S491 PolarHBondContact N-O 3.36Å; A486-S491 PolarHBondContact O-N 3.37Å; S489-S491 VanDerWaalsContact C-N 3.27Å; S489-S491 PolarHBondContact O-N 3.12Å; S489-S491 PolarHBondContact O-OG 2.99Å
492V95.8Very high94.1Very high0 Ų012.9 Ų12.90%07%0.068CC..EExtended strand (participates in β ladder)trans-134.5133.8175.5176.90000109.6L38 K39 F47 G48 L51 I65 I484 V494L38-V492 WeakPolarHBondContact CA-O 3.27Å; K39-V492 HydrophobicContact CB-CB 4.33Å; K39-V492 PolarHBondContact N-O 2.9Å; K39-V492 PolarHBondContact O-N 3.25Å; F47-V492 HydrophobicContact CD1-CG2 4.03Å; F47-V492 HydrophobicContact CE1-CB 4.34Å; F47-V492 HydrophobicContact CE1-CG2 3.85Å; G48-V492 VanDerWaalsContact CA-CG2 3.42Å; L51-V492 HydrophobicContact CD1-CG1 4.24Å; L51-V492 HydrophobicContact CD2-CB 4.47Å; L51-V492 HydrophobicContact CD2-CG1 3.87Å; L51-V492 HydrophobicContact CD2-CG2 3.7Å; I65-V492 HydrophobicContact CD1-CB 4.1Å; I65-V492 HydrophobicContact CD1-CG1 4.28Å; I65-V492 HydrophobicContact CD1-CG2 3.86Å; I65-V492 HydrophobicContact CG2-CG2 4.19Å; I484-V492 CarbonylContact O-C 3.56Å; I484-V492 VanDerWaalsContact O-CA 3.31Å; I484-V492 WeakPolarHBondContact O-CA 3.42Å; V492-V494 HydrophobicContact CG1-CG2 4.44Å
493A94.7Very high94Very high1 Ų113.3 Ų13.31%0.0087%0.07CC..EExtended strand (participates in β ladder)trans-105.9122.4171.900000109.7L38 L454 F463 A483 I484 L495L38-A493 HydrophobicContact CD2-CB 3.67Å; L454-A493 HydrophobicContact CD2-CB 3.57Å; F463-A493 HydrophobicContact CE2-CB 4.05Å; A483-A493 CarbonylContact C-O 3.43Å; A483-A493 WeakPolarHBondContact CA-O 3.46Å; I484-A493 PolarHBondContact N-O 3.27Å; I484-A493 PolarHBondContact O-N 2.82Å; A493-L495 HydrophobicContact CB-CD2 4.48Å
494V93.9Very high93.9Very high0 Ų014.1 Ų14.10%08%0.076CC..EExtended strand (participates in β ladder)trans-100.1121.1169.1-177.20000108L37 V63 L81 L474 M482 A483 V492L37-V494 HydrophobicContact CB-CB 4.13Å; L37-V494 PolarHBondContact N-O 2.97Å; L37-V494 PolarHBondContact O-N 2.61Å; V63-V494 HydrophobicContact CG2-CG2 3.91Å; L81-V494 HydrophobicContact CD1-CG1 3.85Å; L474-V494 HydrophobicContact CD1-CG1 3.99Å; M482-V494 CarbonylContact O-C 3.53Å; M482-V494 WeakPolarHBondContact O-CA 3.45Å; A483-V494 HydrophobicContact CB-CG2 4.19Å; V492-V494 HydrophobicContact CG1-CG2 4.44Å
495L93.2Very high93.7Very high1 Ų114.2 Ų14.21%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-116.5137.3-176.2-54.3-179.7000108.7I31 L33 P36 I449 L454 M482 I484 A493I31-L495 HydrophobicContact CG2-CB 3.47Å; I31-L495 VanDerWaalsContact CG2-CB 3.47Å; I31-L495 HydrophobicContact CG2-CD1 3.98Å; I31-L495 HydrophobicContact CG2-CG 4.36Å; L33-L495 HydrophobicContact CD2-CD1 3.8Å; P36-L495 HydrophobicContact CB-CD2 3.57Å; I449-L495 HydrophobicContact CD1-CD1 3.71Å; I449-L495 HydrophobicContact CG2-CD1 4.2Å; L454-L495 HydrophobicContact CD2-CD2 4Å; M482-L495 PolarHBondContact N-O 3.45Å; M482-L495 PolarHBondContact O-N 2.96Å; M482-L495 VanDerWaalsContact O-O 3.1Å; I484-L495 HydrophobicContact CD1-CD1 3.67Å; A493-L495 HydrophobicContact CB-CD2 4.48Å
496R91Very high93.4Very high8 Ų817.3 Ų17.33%0.039%0.089CC..  trans-112.6148.2-173.7-64.2175-61.1134.99.9112D32 D475 D481 A727 I730D32-R496 PolarHBondContact N-O 3.17Å; D475-R496 WeakPolarHBondContact OD2-CD 3.42Å; D475-R496 IonicContact OD2-CZ 3.74Å; D475-R496 IonicContact OD2-NE 2.91Å; D475-R496 IonicContact OD2-NH1 3.81Å; D475-R496 PolarHBondContact OD2-NH1 3.21Å; D481-R496 WeakPolarHBondContact OD1-CA 3.29Å; D481-R496 VanDerWaalsContact OD1-CB 3.3Å; D481-R496 WeakPolarHBondContact OD1-CB 3.29Å; D481-R496 WeakPolarHBondContact OD1-CG 3.43Å; R496-A727 PolarHBondContact NH1-O 3.31Å; R496-A727 VanDerWaalsContact NH2-C 3.26Å; R496-A727 PolarHBondContact NH2-O 3Å; R496-I730 HydrophobicContact CB-CD1 3.89Å
497A92Very high93.1Very high0 Ų018 Ų180%09%0.092CC..BIsolated β-bridgetrans-84.8140.8-179.900000111.8N30 I410 N477 Y479 P480 D481N30-A497 CarbonylContact O-C 3.56Å; N30-A497 WeakPolarHBondContact O-CA 3.42Å; I410-A497 HydrophobicContact CG1-CB 4.33Å; N477-A497 PolarHBondContact ND2-O 3Å; Y479-A497 HydrophobicContact CG-CB 4.44Å; P480-A497 VanDerWaalsContact O-CB 3.27Å; P480-A497 WeakPolarHBondContact O-CB 3.22Å; D481-A497 PolarHBondContact OD1-N 3.26Å; D481-A497 VanDerWaalsContact OD1-N 3.11Å
498R90.8Very high92.9Very high23 Ų2318.2 Ų18.29%0.0879%0.094CC..PPolyproline II helixtrans-94.7141.3174.8-66.3172.364.4-174.1-5.3109.1N30 D32 T721 I730 Y733 P734 V735N30-R498 WeakPolarHBondContact O-CB 3.5Å; N30-R498 PolarHBondContact O-N 3.47Å; D32-R498 HydrophobicContact CB-CG 4.21Å; R498-T721 PolarHBondContact NH2-O 3.16Å; R498-I730 HydrophobicContact CG-CD1 3.92Å; R498-I730 HydrophobicContact CG-CG1 3.65Å; R498-Y733 PolarHBondContact NE-O 3.2Å; R498-Y733 PolarHBondContact NH2-O 3.46Å; R498-P734 PolarHBondContact NH2-O 2.93Å; R498-P734 VanDerWaalsContact NH2-O 3.15Å; R498-V735 HydrophobicContact CB-CG1 4.18Å; R498-V735 HydrophobicContact CB-CG2 4.28Å
499P91.5Very high92.6Very high19 Ų1915.4 Ų15.412%0.1238%0.076CC..PPolyproline II helixtrans-57.8146.6174.8-2634.5000113.5Y479 D731 P734 V735Y479-P499 HydrophobicContact CD2-CG 4.48Å; Y479-P499 HydrophobicContact CE2-CB 3.86Å; Y479-P499 HydrophobicContact CE2-CG 4.21Å; P499-D731 HydrophobicContact CG-CB 4.41Å; P499-P734 HydrophobicContact CB-CB 4.49Å; P499-P734 CarbonylContact O-C 3.53Å; P499-P734 WeakPolarHBondContact O-CA 3.35Å; P499-P734 WeakPolarHBondContact O-CB 3.47Å; P499-V735 PolarHBondContact O-N 3.49Å
500V92.1Very high92.2Very high8 Ų819.3 Ų19.35%0.0489%0.094CC..EExtended strand (participates in β ladder)trans-101.7136.9-176.1-176.10000111.5F29 N30 N411 Y479 V555 V735F29-V500 HydrophobicContact CE1-CG2 4.33Å; F29-V500 HydrophobicContact CE2-CG1 4.13Å; F29-V500 HydrophobicContact CE2-CG2 4.22Å; F29-V500 HydrophobicContact CZ-CB 4.31Å; F29-V500 HydrophobicContact CZ-CG1 3.66Å; F29-V500 HydrophobicContact CZ-CG2 3.57Å; N30-V500 HydrophobicContact CB-CG2 3.99Å; N411-V500 HydrophobicContact CB-CG2 4.48Å; Y479-V500 HydrophobicContact CE1-CB 4.44Å; Y479-V500 HydrophobicContact CE1-CG2 3.92Å; Y479-V500 PolarHBondContact OH-N 3.04Å; Y479-V500 VanDerWaalsContact OH-N 3.14Å; V500-V555 HydrophobicContact CB-CG2 4.07Å; V500-V555 HydrophobicContact CG1-CG2 3.78Å; V500-V555 PolarHBondContact O-N 2.84Å; V500-V735 CarbonylContact C-O 3.55Å; V500-V735 WeakPolarHBondContact CA-O 3.27Å; V500-V735 HydrophobicContact CG2-CG2 4.37Å
501V91.2Very high91.7Very high9 Ų925 Ų256%0.05512%0.124CC..EExtended strand (participates in β ladder)trans-118.3140.8171.8-67.90000111.9Y552 T553 M720 P734 V735 A736V501-Y552 HydrophobicContact CB-CD2 4.34Å; V501-Y552 HydrophobicContact CG1-CD2 4.13Å; V501-T553 CarbonylContact C-O 3.47Å; V501-T553 WeakPolarHBondContact CA-O 3.19Å; V501-T553 WeakPolarHBondContact CB-O 3.45Å; V501-M720 HydrophobicContact CG2-CE 3.53Å; V501-P734 HydrophobicContact CG1-CB 3.73Å; V501-P734 HydrophobicContact CG1-CG 4.04Å; V501-P734 HydrophobicContact CG2-CB 4.28Å; V501-V735 WeakPolarHBondContact CG2-O 3.35Å; V501-V735 PolarHBondContact N-O 3.29Å; V501-A736 HydrophobicContact CG2-CB 4.29Å; V501-A736 WeakPolarHBondContact O-CA 3.5Å
502K90.7Very high91.2Very high103 Ų10326.4 Ų26.445%0.44814%0.139SC..EExtended strand (participates in β ladder)trans-98.6125.9175.4-178.6170.9-173.9160.80110.6Y552 T553 V555K502-Y552 CarbonylContact O-C 3.48Å; K502-Y552 VanDerWaalsContact O-CA 3.3Å; K502-Y552 WeakPolarHBondContact O-CA 3.16Å; K502-T553 PolarHBondContact N-O 2.65Å; K502-T553 PolarHBondContact O-N 3.12Å; K502-T553 PolarHBondContact O-OG1 2.91Å; K502-V555 HydrophobicContact CB-CG2 4.36Å
503L92.3Very high90.7Very high9 Ų928.4 Ų28.45%0.04715%0.153CC..EExtended strand (participates in β ladder)trans-88.4152.1172.6-75.694.8000111.4T551 V568 A669 W716 A718 M720 A736L503-T551 CarbonylContact C-O 3.25Å; L503-T551 WeakPolarHBondContact CA-O 3.42Å; L503-V568 HydrophobicContact CD2-CG2 3.72Å; L503-A669 HydrophobicContact CD2-CB 4.08Å; L503-W716 HydrophobicContact CB-CZ2 3.98Å; L503-A718 HydrophobicContact CD1-CB 4.1Å; L503-A718 HydrophobicContact CD2-CB 3.98Å; L503-M720 HydrophobicContact CD1-CE 3.81Å; L503-A736 HydrophobicContact CD1-CB 3.2Å
504S92.2Very high90.2Very high17 Ų1732 Ų3212%0.11918%0.175CC..EExtended strand (participates in β ladder)trans-145.4148.3173.2-54.90000110.8T551S504-T551 PolarHBondContact N-O 2.82Å; S504-T551 PolarHBondContact O-N 2.82Å
505A93Very high89.8Confident3 Ų336.6 Ų36.63%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-114.5142.817600000110.4I549 L550 V714 W716 E743 L745A505-I549 CarbonylContact C-O 3.53Å; A505-I549 WeakPolarHBondContact CA-O 3.23Å; A505-L550 HydrophobicContact CB-CD2 3.96Å; A505-V714 HydrophobicContact CB-CG1 4.13Å; A505-W716 HydrophobicContact CB-CZ3 4.36Å; A505-E743 HydrophobicContact CB-CB 4.43Å; A505-L745 HydrophobicContact CB-CD1 4.4Å; A505-L745 VanDerWaalsContact O-CD2 3.27Å; A505-L745 WeakPolarHBondContact O-CD2 3.33Å
506Y92Very high89.5Confident65 Ų6536.7 Ų36.726%0.25520%0.199SC..EExtended strand (participates in β ladder)trans-134.9150.4175.4-54.1-97.2000109.5L548 I549 T551 F683Y506-L548 WeakPolarHBondContact O-CA 3.48Å; Y506-I549 PolarHBondContact N-O 2.77Å; Y506-I549 PolarHBondContact O-N 3Å; Y506-T551 HydrophobicContact CD2-CG2 4.49Å; Y506-T551 HydrophobicContact CE2-CG2 4.29Å; Y506-T551 WeakPolarHBondContact CE2-OG1 3.32Å; Y506-F683 HydrophobicContact CD1-CE2 4.19Å; Y506-F683 HydrophobicContact CD1-CZ 4.16Å; Y506-F683 HydrophobicContact CD2-CE2 4.35Å; Y506-F683 AromaticContact CD2-CZ 3.62Å; Y506-F683 HydrophobicContact CD2-CZ 3.62Å; Y506-F683 HydrophobicContact CE2-CZ 4.07Å; Y506-F683 AromaticContact CG-CE2 3.93Å; Y506-F683 HydrophobicContact CG-CE2 3.93Å; Y506-F683 AromaticContact CG-CZ 3.68Å; Y506-F683 HydrophobicContact CG-CZ 3.68Å
507L91.8Very high89.3Confident14 Ų1438.2 Ų38.27%0.07321%0.21CC..EExtended strand (participates in β ladder)trans-131.3123.3178.8-176.361.4000109.7M546 K547 L548 L694 I712 L745 I747L507-M546 HydrophobicContact CD1-CB 3.71Å; L507-M546 HydrophobicContact CD1-CE 4.23Å; L507-M546 HydrophobicContact CD1-SD 4.22Å; L507-M546 HydrophobicContact CD2-CE 4.28Å; L507-M546 HydrophobicContact CD2-SD 4.15Å; L507-M546 HydrophobicContact CG-CE 3.78Å; L507-M546 HydrophobicContact CG-SD 4.12Å; L507-K547 WeakPolarHBondContact CA-O 3.44Å; L507-K547 WeakPolarHBondContact CD1-O 3.43Å; L507-L548 HydrophobicContact CD1-CB 4.43Å; L507-L548 HydrophobicContact CD1-CD1 4.5Å; L507-L694 HydrophobicContact CD1-CD2 4.31Å; L507-I712 HydrophobicContact CD2-CD1 3.42Å; L507-I712 VanDerWaalsContact CD2-CD1 3.42Å; L507-L745 HydrophobicContact CB-CB 4.46Å; L507-L745 HydrophobicContact CB-CD1 3.64Å; L507-L745 HydrophobicContact CD2-CD1 4.41Å; L507-I747 HydrophobicContact CD2-CD1 3.56Å; L507-I747 HydrophobicContact CD2-CG1 4.42Å; L507-I747 HydrophobicContact CG-CD1 4.13Å
508T90.7Very high88.7Confident7 Ų741.6 Ų41.64%0.04323%0.234CC..EExtended strand (participates in β ladder)trans-130.9161.4-179.8690000110.5S513 T514 M546 K547 I549T508-S513 CarbonylContact C-O 3.59Å; T508-T514 HydrophobicContact CG2-CG2 4.24Å; T508-M546 CarbonylContact O-C 3.59Å; T508-M546 WeakPolarHBondContact O-CA 3.4Å; T508-M546 WeakPolarHBondContact O-CB 3.08Å; T508-K547 PolarHBondContact N-O 2.95Å; T508-K547 PolarHBondContact O-N 3.05Å; T508-I549 HydrophobicContact CG2-CD1 4.19Å
509L89.5Confident88.3Confident18 Ų1842.8 Ų42.89%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-68169.5164.3-67.1179.6000110.5D511 G512 S513 I515 L516 I544 M546L509-D511 VanDerWaalsContact CB-OD1 3.29Å; L509-D511 WeakPolarHBondContact CB-OD1 3.29Å; L509-D511 PolarHBondContact O-N 2.86Å; L509-D511 VanDerWaalsContact O-N 3.14Å; L509-G512 PolarHBondContact O-N 3.03Å; L509-S513 WeakPolarHBondContact CB-O 3.16Å; L509-S513 VanDerWaalsContact CD1-OG 3.22Å; L509-S513 WeakPolarHBondContact CD1-OG 3.12Å; L509-S513 PolarHBondContact N-O 2.7Å; L509-I515 WeakPolarHBondContact CD1-O 3.4Å; L509-L516 HydrophobicContact CD2-CD2 4.22Å; L509-I544 HydrophobicContact CD2-CD1 3.4Å; L509-I544 VanDerWaalsContact CD2-CD1 3.4Å; L509-I544 HydrophobicContact CD2-CG1 4.12Å; L509-M546 HydrophobicContact CD2-CE 3.87Å; L509-M546 HydrophobicContact CD2-CG 4.28Å; L509-M546 HydrophobicContact CG-CE 4.41Å
510M87Confident87.9Confident97 Ų9741.9 Ų41.948%0.47824%0.24SC..THydrogen-bonded Turntrans-61.3-21-179.1-63.5-67.3-93.100113.2D545 K547 T693M510-D545 HydrophobicContact CE-CB 4.36Å; M510-D545 HydrophobicContact CG-CB 4.08Å; M510-D545 WeakPolarHBondContact CG-O 3.43Å; M510-D545 HydrophobicContact SD-CB 4.13Å; M510-K547 HydrophobicContact SD-CD 4.09Å; M510-K547 HydrophobicContact SD-CG 4.02Å; M510-T693 HydrophobicContact CE-CG2 4.34Å; M510-T693 HydrophobicContact SD-CG2 4.27Å
511D85.2Confident87.4Confident120 Ų12044.8 Ų44.864%0.64226%0.255SS*.THydrogen-bonded Turntrans-95.31.8176.366.4-4.1000113.8L509 S513L509-D511 VanDerWaalsContact CB-OD1 3.29Å; L509-D511 WeakPolarHBondContact CB-OD1 3.29Å; L509-D511 PolarHBondContact O-N 2.86Å; L509-D511 VanDerWaalsContact O-N 3.14Å; D511-S513 VanDerWaalsContact OD1-CB 3.29Å; D511-S513 WeakPolarHBondContact OD1-CB 3.45Å; D511-S513 PolarHBondContact OD1-N 2.91Å; D511-S513 PolarHBondContact OD1-OG 3.42Å; D511-S513 PolarHBondContact OD2-OG 3.2Å
512G84.2Confident87.2Confident32 Ų3248.6 Ų48.633%0.3328%0.282SS..SBendtrans86.4-5.3-176.800000115.2L509L509-G512 PolarHBondContact O-N 3.03Å
513S85.9Confident87.2Confident42 Ų4244.7 Ų44.729%0.29427%0.266SS..  trans-74.8164.8175.771.30000112.3T508 L509 D511T508-S513 CarbonylContact C-O 3.59Å; L509-S513 WeakPolarHBondContact CB-O 3.16Å; L509-S513 VanDerWaalsContact CD1-OG 3.22Å; L509-S513 WeakPolarHBondContact CD1-OG 3.12Å; L509-S513 PolarHBondContact N-O 2.7Å; D511-S513 VanDerWaalsContact OD1-CB 3.29Å; D511-S513 WeakPolarHBondContact OD1-CB 3.45Å; D511-S513 PolarHBondContact OD1-N 2.91Å; D511-S513 PolarHBondContact OD1-OG 3.42Å; D511-S513 PolarHBondContact OD2-OG 3.2Å
514T83.9Confident87.1Confident78 Ų7848.8 Ų48.848%0.47929%0.286SS..  trans-124.315.4-176.753.50000113.1T508 I747T508-T514 HydrophobicContact CG2-CG2 4.24Å; T514-I747 WeakPolarHBondContact O-CG2 3.47Å
515I86.2Confident87.1Confident96 Ų9652.5 Ų52.549%0.49230%0.304SS..EExtended strand (participates in β ladder)trans-115.7122-174.7-56.6174.6000109.1L509 S748 D750L509-I515 WeakPolarHBondContact CD1-O 3.4Å; I515-S748 WeakPolarHBondContact CA-O 3.25Å; I515-D750 HydrophobicContact CG2-CB 3.68Å
516L86.8Confident87Confident2 Ų252.6 Ų52.61%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-77.3148.4173.7-72.2168.1000110.8L509 I544 F698 L710 I747 S748 F749 D750L509-L516 HydrophobicContact CD2-CD2 4.22Å; L516-I544 HydrophobicContact CD2-CD1 3.43Å; L516-I544 VanDerWaalsContact CD2-CD1 3.43Å; L516-I544 HydrophobicContact CD2-CG2 4.48Å; L516-F698 HydrophobicContact CD1-CZ 4.36Å; L516-L710 HydrophobicContact CD1-CD2 4.34Å; L516-I747 HydrophobicContact CD1-CB 4.48Å; L516-I747 HydrophobicContact CD1-CG2 3.64Å; L516-I747 HydrophobicContact CG-CG2 3.6Å; L516-S748 PolarHBondContact N-O 3.38Å; L516-F749 HydrophobicContact CB-CD1 3.62Å; L516-F749 HydrophobicContact CB-CE1 4Å; L516-F749 HydrophobicContact CB-CG 4.37Å; L516-F749 HydrophobicContact CD1-CD1 3.93Å; L516-F749 HydrophobicContact CD1-CE1 3.48Å; L516-F749 VanDerWaalsContact CD1-CE1 3.48Å; L516-F749 HydrophobicContact CD1-CZ 3.88Å; L516-F749 HydrophobicContact CG-CD1 4.43Å; L516-F749 HydrophobicContact CG-CE1 4.37Å; L516-D750 VanDerWaalsContact O-CB 3.31Å; L516-D750 WeakPolarHBondContact O-CB 3.25Å; L516-D750 PolarHBondContact O-N 3Å
517P85.8Confident86.8Confident40 Ų4050.5 Ų50.526%0.2630%0.299SS..  trans-62153.9177.726.6-34.3000112S519 L523P517-S519 PolarHBondContact O-N 3.14Å; P517-L523 HydrophobicContact CG-CD2 3.63Å; P517-L523 HydrophobicContact CG-CG 4.24Å
518S79.7Confident86.5Confident72 Ų7257.3 Ų57.350%0.50333%0.33SS..SBendtrans-63-25.9-178.962.60000114.3Q706 D750S518-Q706 PolarHBondContact O-OE1 2.82Å; S518-D750 WeakPolarHBondContact CA-O 3.32Å; S518-D750 WeakPolarHBondContact CB-O 3.3Å
519S82.5Confident86.1Confident48 Ų4861 Ų6134%0.33635%0.346SS..  trans-122.5116.5178.2179.80000110.7P517 N521 S522P517-S519 PolarHBondContact O-N 3.14Å; S519-N521 PolarHBondContact O-N 3.18Å; S519-N521 PolarHBondContact OG-N 2.82Å; S519-S522 PolarHBondContact O-N 3.34Å; S519-S522 VanDerWaalsContact O-N 3.13Å; S519-S522 PolarHBondContact O-OG 2.79Å
520L83.6Confident85.6Confident0 Ų060.7 Ų60.70%035%0.347CS..G310 helixtrans-62-22.2174.1-70.3172.6000112.9S522 L523 K542 F698 T701 I704 Q706 F749L520-S522 PolarHBondContact O-N 3.09Å; L520-L523 HydrophobicContact CD2-CD1 3.56Å; L520-L523 VanDerWaalsContact O-CB 3.28Å; L520-L523 WeakPolarHBondContact O-CB 3.39Å; L520-L523 WeakPolarHBondContact O-CG 3.36Å; L520-L523 PolarHBondContact O-N 3.29Å; L520-K542 WeakPolarHBondContact O-CG 3.35Å; L520-F698 HydrophobicContact CD1-CD1 4.34Å; L520-F698 HydrophobicContact CD1-CG 4.43Å; L520-F698 HydrophobicContact CD2-CD1 4.23Å; L520-F698 HydrophobicContact CD2-CD2 3.9Å; L520-F698 HydrophobicContact CD2-CE1 4.2Å; L520-F698 HydrophobicContact CD2-CE2 3.88Å; L520-F698 HydrophobicContact CD2-CG 4.07Å; L520-F698 HydrophobicContact CD2-CZ 4.03Å; L520-T701 HydrophobicContact CB-CG2 3.82Å; L520-T701 HydrophobicContact CD1-CG2 4.44Å; L520-I704 HydrophobicContact CD1-CB 3.88Å; L520-I704 HydrophobicContact CD1-CD1 3.83Å; L520-I704 HydrophobicContact CD1-CG1 4.48Å; L520-I704 HydrophobicContact CD1-CG2 3.81Å; L520-Q706 HydrophobicContact CD1-CG 4.43Å; L520-F749 HydrophobicContact CD2-CE1 4.05Å
521N82.3Confident85.1Confident69 Ų6961 Ų6137%0.36935%0.347SS..G310 helixtrans-69.2-19.9177.5-68.9-27.4000113.2S519 L523 T701 Y840S519-N521 PolarHBondContact O-N 3.18Å; S519-N521 PolarHBondContact OG-N 2.82Å; N521-L523 PolarHBondContact O-N 3.41Å; N521-T701 PolarHBondContact OD1-OG1 3.47Å; N521-Y840 PolarHBondContact ND2-OH 2.84Å; N521-Y840 PolarHBondContact OD1-OH 3.08Å; N521-Y840 VanDerWaalsContact OD1-OH 3.12Å
522S85.8Confident84.6Confident88 Ų8860.3 Ų60.362%0.61535%0.351SS*.G310 helixtrans-76.2-10.7175.174.60000113S519 L520S519-S522 PolarHBondContact O-N 3.34Å; S519-S522 VanDerWaalsContact O-N 3.13Å; S519-S522 PolarHBondContact O-OG 2.79Å; L520-S522 PolarHBondContact O-N 3.09Å
523L90.1Very high83.9Confident22 Ų2260.1 Ų60.112%0.11534%0.343CS..SBendtrans-73.9165.3176.8-62.2178.1000111.4P517 L520 N521 D525 K542 I544 F698P517-L523 HydrophobicContact CG-CD2 3.63Å; P517-L523 HydrophobicContact CG-CG 4.24Å; L520-L523 HydrophobicContact CD2-CD1 3.56Å; L520-L523 VanDerWaalsContact O-CB 3.28Å; L520-L523 WeakPolarHBondContact O-CB 3.39Å; L520-L523 WeakPolarHBondContact O-CG 3.36Å; L520-L523 PolarHBondContact O-N 3.29Å; N521-L523 PolarHBondContact O-N 3.41Å; L523-D525 PolarHBondContact O-N 3.34Å; L523-K542 HydrophobicContact CB-CB 4.05Å; L523-I544 HydrophobicContact CD1-CB 4.41Å; L523-I544 HydrophobicContact CD2-CB 4.34Å; L523-I544 HydrophobicContact CD2-CD1 3.84Å; L523-I544 HydrophobicContact CD2-CG1 4.26Å; L523-F698 HydrophobicContact CD1-CD2 3.77Å; L523-F698 HydrophobicContact CD1-CE2 3.7Å
524M91.4Very high83Confident95 Ų9563.1 Ų63.147%0.46836%0.359SS..EExtended strand (participates in β ladder)trans-58.3134.9178.2-178.51736300111.1K542 C543M524-K542 WeakPolarHBondContact O-CA 3.46Å; M524-C543 HydrophobicContact CE-CB 4.19Å; M524-C543 PolarHBondContact O-N 3.32Å
525D91.4Very high82Confident94 Ų9462.6 Ų62.650%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-73.4126.6173.7-154.1-48.6000111L523 T527 K542L523-D525 PolarHBondContact O-N 3.34Å; D525-T527 WeakPolarHBondContact OD1-CB 3.5Å; D525-T527 PolarHBondContact OD1-N 3.15Å; D525-T527 PolarHBondContact OD1-OG1 3.09Å; D525-K542 IonicContact OD2-NZ 2.67Å; D525-K542 PolarHBondContact OD2-NZ 3.3Å
526C91.3Very high81Confident5 Ų559.9 Ų59.93%0.03435%0.353CS..  trans-136.928.2177.962.90000111.7H528 E529 A530 A541 C543C526-H528 VanDerWaalsContact C-N 3.26Å; C526-H528 PolarHBondContact O-N 3.36Å; C526-E529 HydrophobicContact CB-CB 4.31Å; C526-E529 PolarHBondContact O-N 3.1Å; C526-A530 PolarHBondContact O-N 2.99Å; C526-A541 PolarHBondContact N-O 3.22Å; C526-A541 VanDerWaalsContact N-O 3.11Å; C526-C543 HydrophobicContact CB-CB 3.68Å; C526-C543 WeakPolarHBondContact CB-SG 3.4Å; C526-C543 WeakPolarHBondContact SG-CB 3.28Å; C526-C543 PolarHBondContact SG-N 3.4Å; C526-C543 CovalentContact SG-SG 2Å; C526-C543 PolarHBondContact SG-SG 2.66Å
527T87.9Confident80.2Confident22 Ų2267.6 Ų67.614%0.13539%0.386CS..Hα-helixtrans-56.2-40-178.7-54.60000112.1D525 A530 Q531 A541D525-T527 WeakPolarHBondContact OD1-CB 3.5Å; D525-T527 PolarHBondContact OD1-N 3.15Å; D525-T527 PolarHBondContact OD1-OG1 3.09Å; T527-A530 PolarHBondContact O-N 3.48Å; T527-Q531 WeakPolarHBondContact O-CG 3.26Å; T527-Q531 PolarHBondContact O-N 2.93Å; T527-A541 PolarHBondContact N-O 3.02Å; T527-A541 PolarHBondContact OG1-N 2.97Å; T527-A541 PolarHBondContact OG1-O 2.57Å
528H85.4Confident79.5Confident156 Ų15666.4 Ų66.472%0.72238%0.38SS*.Hα-helixtrans-67.1-37.9175.5-71.3-68000113.5C526 Q531C526-H528 VanDerWaalsContact C-N 3.26Å; C526-H528 PolarHBondContact O-N 3.36Å; H528-Q531 PolarHBondContact O-N 3.41Å
529E82.2Confident79.1Confident85 Ų8566.7 Ų66.740%0.39738%0.38SS..Hα-helixtrans-66.4-41.5176.1-64.9-175.9-176.500110.6C526 Q531 S532 R695C526-E529 HydrophobicContact CB-CB 4.31Å; C526-E529 PolarHBondContact O-N 3.1Å; E529-Q531 VanDerWaalsContact C-N 3.26Å; E529-Q531 PolarHBondContact O-N 3.1Å; E529-S532 WeakPolarHBondContact O-CB 3.26Å; E529-S532 PolarHBondContact O-N 2.95Å; E529-S532 VanDerWaalsContact O-N 3.15Å; E529-S532 PolarHBondContact O-OG 3.03Å; E529-R695 IonicContact OE1-NH1 3.78Å; E529-R695 IonicContact OE2-NH1 2.96Å; E529-R695 PolarHBondContact OE2-NH1 3.47Å
530A80.2Confident79.1Confident12 Ų1265.3 Ų65.310%0.09937%0.371CS..Hα-helixtrans-64.1-27.4179.400000113.5C526 T527 S532 I533 A541 I697C526-A530 PolarHBondContact O-N 2.99Å; T527-A530 PolarHBondContact O-N 3.48Å; A530-S532 PolarHBondContact O-N 2.82Å; A530-I533 PolarHBondContact O-N 3.26Å; A530-A541 HydrophobicContact CB-CB 3.42Å; A530-A541 VanDerWaalsContact CB-CB 3.42Å; A530-I697 HydrophobicContact CB-CG2 4.24Å
531Q76.4Confident79.3Confident104 Ų10465.4 Ų65.449%0.48637%0.371SS..THydrogen-bonded Turntrans-65-21176-74.1172.5-000113.7T527 H528 E529 I533T527-Q531 WeakPolarHBondContact O-CG 3.26Å; T527-Q531 PolarHBondContact O-N 2.93Å; H528-Q531 PolarHBondContact O-N 3.41Å; E529-Q531 VanDerWaalsContact C-N 3.26Å; E529-Q531 PolarHBondContact O-N 3.1Å; Q531-I533 VanDerWaalsContact C-N 3.29Å
532S72.8Confident79.7Confident104 Ų10463.4 Ų63.473%0.72736%0.359SS*.THydrogen-bonded Turntrans-77.4-13.4177.971.50000113.8E529 A530E529-S532 WeakPolarHBondContact O-CB 3.26Å; E529-S532 PolarHBondContact O-N 2.95Å; E529-S532 VanDerWaalsContact O-N 3.15Å; E529-S532 PolarHBondContact O-OG 3.03Å; A530-S532 PolarHBondContact O-N 2.82Å
533I71Confident80Confident29 Ų2959.3 Ų59.315%0.14933%0.331CS..SBendtrans-91.3142.6-172.7-39.2171.2000110.1A530 Q531 V627 E631 I697A530-I533 PolarHBondContact O-N 3.26Å; Q531-I533 VanDerWaalsContact C-N 3.29Å; I533-V627 HydrophobicContact CD1-CG2 4.01Å; I533-E631 HydrophobicContact CG2-CB 4.28Å; I533-E631 VanDerWaalsContact CG2-OE2 3.23Å; I533-E631 WeakPolarHBondContact CG2-OE2 3.23Å; I533-I697 HydrophobicContact CD1-CD1 3.59Å
534T65.6Low80.1Confident105 Ų10559.2 Ų59.264%0.64433%0.33SS*.SBendtrans-64149.1178.250.20000111.9R699T534-R699 PolarHBondContact O-NH1 3.47Å; T534-R699 VanDerWaalsContact O-NH1 3.1Å; T534-R699 PolarHBondContact O-NH2 2.84Å
535G64Low80.2Confident67 Ų6756.7 Ų56.769%0.69132%0.318SS*.SBendtrans103-147.4178.300000113.7
536Y65.2Low80.2Confident39 Ų3952.2 Ų52.215%0.15330%0.295CS..  trans-67.2130.8-176.4171-107000113A538 P539 L623 R699 D700 I829Y536-A538 HydrophobicContact CD1-CB 4.15Å; Y536-A538 VanDerWaalsContact CE1-CA 3.48Å; Y536-A538 HydrophobicContact CE1-CB 3.71Å; Y536-A538 PolarHBondContact O-N 2.86Å; Y536-P539 WeakPolarHBondContact OH-CD 3.43Å; Y536-L623 HydrophobicContact CD1-CD2 4.46Å; Y536-L623 HydrophobicContact CD2-CD2 4.35Å; Y536-L623 HydrophobicContact CG-CD2 3.82Å; Y536-R699 PolarHBondContact O-NH1 3.44Å; Y536-D700 HydrophobicContact CE1-CB 4.27Å; Y536-D700 PolarHBondContact OH-OD2 3.17Å; Y536-I829 HydrophobicContact CD2-CG2 4.21Å; Y536-I829 HydrophobicContact CE2-CG1 4.04Å; Y536-I829 HydrophobicContact CE2-CG2 4.45Å
537K68.8Low80.2Confident163 Ų16353.5 Ų53.571%0.70930%0.3SS*.  trans-90.791.7175.2-66.7-176.6179.7-178.70109.2
538A71.2Confident80.5Confident16 Ų1652.6 Ų52.613%0.13229%0.294CS..  trans-63.2144.517600000111.5Y536 S540 R699 D700Y536-A538 HydrophobicContact CD1-CB 4.15Å; Y536-A538 VanDerWaalsContact CE1-CA 3.48Å; Y536-A538 HydrophobicContact CE1-CB 3.71Å; Y536-A538 PolarHBondContact O-N 2.86Å; A538-S540 PolarHBondContact O-N 2.99Å; A538-R699 HydrophobicContact CB-CB 4.15Å; A538-D700 HydrophobicContact CB-CB 3.87Å
539P72.5Confident80.8Confident77 Ų7745.1 Ų45.150%0.526%0.259SS..SBendtrans-65.3-28.4176.625.1-33.1000112.8Y536Y536-P539 WeakPolarHBondContact OH-CD 3.43Å
540S81.3Confident81.4Confident20 Ų2041.4 Ų41.414%0.1424%0.242CC..  trans-140.6141.3175.362.70000111.1A538 D700 Y702A538-S540 PolarHBondContact O-N 2.99Å; S540-D700 WeakPolarHBondContact O-CA 3.43Å; S540-D700 PolarHBondContact O-N 2.64Å; S540-Y702 WeakPolarHBondContact OG-CE2 3.32Å
541A87.7Confident82.1Confident1 Ų140.9 Ų40.91%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-134.3140.217100000111.7C526 T527 A530 I697 F698C526-A541 PolarHBondContact N-O 3.22Å; C526-A541 VanDerWaalsContact N-O 3.11Å; T527-A541 PolarHBondContact N-O 3.02Å; T527-A541 PolarHBondContact OG1-N 2.97Å; T527-A541 PolarHBondContact OG1-O 2.57Å; A530-A541 HydrophobicContact CB-CB 3.42Å; A530-A541 VanDerWaalsContact CB-CB 3.42Å; A541-I697 HydrophobicContact CB-CG2 4.12Å; A541-F698 WeakPolarHBondContact CA-O 3.37Å
542K92.3Very high82.9Confident27 Ų2736.2 Ų36.212%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-122.7147179.8-62.6-60-173.2-174.20110.7L520 L523 M524 D525 F698 T701L520-K542 WeakPolarHBondContact O-CG 3.35Å; L523-K542 HydrophobicContact CB-CB 4.05Å; M524-K542 WeakPolarHBondContact O-CA 3.46Å; D525-K542 IonicContact OD2-NZ 2.67Å; D525-K542 PolarHBondContact OD2-NZ 3.3Å; K542-F698 PolarHBondContact N-O 2.83Å; K542-F698 WeakPolarHBondContact O-CB 3.32Å; K542-F698 PolarHBondContact O-N 3.44Å; K542-T701 HydrophobicContact CB-CG2 3.85Å; K542-T701 HydrophobicContact CG-CG2 3.55Å
543C92.2Very high83.8Confident2 Ų231.6 Ų31.61%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-130151.6-171.5-740000113.2M524 C526 I696 I697M524-C543 HydrophobicContact CE-CB 4.19Å; M524-C543 PolarHBondContact O-N 3.32Å; C526-C543 HydrophobicContact CB-CB 3.68Å; C526-C543 WeakPolarHBondContact CB-SG 3.4Å; C526-C543 WeakPolarHBondContact SG-CB 3.28Å; C526-C543 PolarHBondContact SG-N 3.4Å; C526-C543 CovalentContact SG-SG 2Å; C526-C543 PolarHBondContact SG-SG 2.66Å; C543-I696 WeakPolarHBondContact CA-O 3.44Å; C543-I697 WeakPolarHBondContact SG-CG1 3.39Å
544I92.3Very high84.7Confident20 Ų2031 Ų3110%0.10318%0.182CC..EExtended strand (participates in β ladder)trans-139.7141.6172.6-161.4169.4000111.6L509 L516 L523 M546 R695 I696 F698L509-I544 HydrophobicContact CD2-CD1 3.4Å; L509-I544 VanDerWaalsContact CD2-CD1 3.4Å; L509-I544 HydrophobicContact CD2-CG1 4.12Å; L516-I544 HydrophobicContact CD2-CD1 3.43Å; L516-I544 VanDerWaalsContact CD2-CD1 3.43Å; L516-I544 HydrophobicContact CD2-CG2 4.48Å; L523-I544 HydrophobicContact CD1-CB 4.41Å; L523-I544 HydrophobicContact CD2-CB 4.34Å; L523-I544 HydrophobicContact CD2-CD1 3.84Å; L523-I544 HydrophobicContact CD2-CG1 4.26Å; I544-M546 HydrophobicContact CG2-CG 4.3Å; I544-R695 WeakPolarHBondContact O-CA 3.33Å; I544-I696 HydrophobicContact CG2-CB 4.12Å; I544-I696 PolarHBondContact N-O 3.12Å; I544-I696 PolarHBondContact O-N 2.97Å; I544-F698 HydrophobicContact CB-CE2 4.47Å; I544-F698 HydrophobicContact CG2-CE2 3.75Å; I544-F698 HydrophobicContact CG2-CZ 4.38Å
545D91.7Very high85.8Confident42 Ų4228.8 Ų28.823%0.22517%0.168CC..EExtended strand (participates in β ladder)trans-96.8135.2174-71.3-33.4000110.1M510 R695M510-D545 HydrophobicContact CE-CB 4.36Å; M510-D545 HydrophobicContact CG-CB 4.08Å; M510-D545 WeakPolarHBondContact CG-O 3.43Å; M510-D545 HydrophobicContact SD-CB 4.13Å; D545-R695 VanDerWaalsContact OD1-CB 3.24Å; D545-R695 WeakPolarHBondContact OD1-CB 3.27Å; D545-R695 WeakPolarHBondContact OD1-CD 3.47Å; D545-R695 WeakPolarHBondContact OD1-CG 3.46Å; D545-R695 IonicContact OD1-CZ 3.25Å; D545-R695 IonicContact OD1-NE 3.95Å; D545-R695 PolarHBondContact OD1-NE 2.65Å; D545-R695 IonicContact OD1-NH2 2.7Å; D545-R695 IonicContact OD2-CZ 2.64Å; D545-R695 IonicContact OD2-NE 3.66Å; D545-R695 IonicContact OD2-NH2 3.94Å; D545-R695 PolarHBondContact OD2-NH2 2.92Å
546M91.8Very high86.9Confident1 Ų128.2 Ų28.21%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-134.1157-176.5-57.3-162.778.800111.1L507 T508 L509 I544 T693 L694 I696 I747L507-M546 HydrophobicContact CD1-CB 3.71Å; L507-M546 HydrophobicContact CD1-CE 4.23Å; L507-M546 HydrophobicContact CD1-SD 4.22Å; L507-M546 HydrophobicContact CD2-CE 4.28Å; L507-M546 HydrophobicContact CD2-SD 4.15Å; L507-M546 HydrophobicContact CG-CE 3.78Å; L507-M546 HydrophobicContact CG-SD 4.12Å; T508-M546 CarbonylContact O-C 3.59Å; T508-M546 WeakPolarHBondContact O-CA 3.4Å; T508-M546 WeakPolarHBondContact O-CB 3.08Å; L509-M546 HydrophobicContact CD2-CE 3.87Å; L509-M546 HydrophobicContact CD2-CG 4.28Å; L509-M546 HydrophobicContact CG-CE 4.41Å; I544-M546 HydrophobicContact CG2-CG 4.3Å; M546-T693 CarbonylContact O-C 3.55Å; M546-T693 WeakPolarHBondContact O-CA 3.31Å; M546-L694 PolarHBondContact N-O 2.9Å; M546-L694 PolarHBondContact O-N 3.36Å; M546-I696 HydrophobicContact CG-CD1 4.39Å; M546-I696 HydrophobicContact SD-CD1 3.53Å; M546-I696 VanDerWaalsContact SD-CD1 3.53Å; M546-I696 HydrophobicContact SD-CG1 4.46Å; M546-I747 HydrophobicContact CE-CD1 3.5Å; M546-I747 VanDerWaalsContact CE-CD1 3.5Å; M546-I747 HydrophobicContact CE-CG1 4.24Å; M546-I747 HydrophobicContact SD-CD1 3.78Å
547K92.3Very high87.8Confident31 Ų3128 Ų2814%0.13516%0.159CC..EExtended strand (participates in β ladder)trans-105.1117.6175.7-69.7-60-159.3170.20110.5L507 T508 M510 A691 T693L507-K547 WeakPolarHBondContact CA-O 3.44Å; L507-K547 WeakPolarHBondContact CD1-O 3.43Å; T508-K547 PolarHBondContact N-O 2.95Å; T508-K547 PolarHBondContact O-N 3.05Å; M510-K547 HydrophobicContact SD-CD 4.09Å; M510-K547 HydrophobicContact SD-CG 4.02Å; K547-A691 HydrophobicContact CB-CB 4.02Å; K547-A691 HydrophobicContact CD-CB 4.12Å; K547-A691 HydrophobicContact CG-CB 4.48Å; K547-A691 PolarHBondContact NZ-O 3.04Å; K547-T693 PolarHBondContact NZ-OG1 2.87Å
548L92.7Very high88.6Confident3 Ų325.6 Ų25.62%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-92.5115.1169.4-176.674.8000109.1Y506 L507 I570 L572 L665 A691 S692 L745Y506-L548 WeakPolarHBondContact O-CA 3.48Å; L507-L548 HydrophobicContact CD1-CB 4.43Å; L507-L548 HydrophobicContact CD1-CD1 4.5Å; L548-I570 HydrophobicContact CD2-CD1 3.53Å; L548-I570 HydrophobicContact CD2-CG2 4.31Å; L548-L572 HydrophobicContact CD2-CD1 4.46Å; L548-L572 HydrophobicContact CD2-CD2 4.26Å; L548-L665 HydrophobicContact CD2-CD1 3.86Å; L548-A691 WeakPolarHBondContact O-CB 3.44Å; L548-S692 PolarHBondContact N-O 3.45Å; L548-S692 PolarHBondContact O-N 3.02Å; L548-L745 HydrophobicContact CD1-CD1 3.9Å
549I93.4Very high89.3Confident0 Ų030.3 Ų30.30%018%0.177CC..EExtended strand (participates in β ladder)trans-105.2131.4-176.1-44177.6000108.4A505 Y506 T508 T551 F670 F683 L688 A691A505-I549 CarbonylContact C-O 3.53Å; A505-I549 WeakPolarHBondContact CA-O 3.23Å; Y506-I549 PolarHBondContact N-O 2.77Å; Y506-I549 PolarHBondContact O-N 3Å; T508-I549 HydrophobicContact CG2-CD1 4.19Å; I549-T551 HydrophobicContact CG2-CG2 4.18Å; I549-F670 HydrophobicContact CG2-CE1 3.57Å; I549-F670 HydrophobicContact CG2-CZ 3.55Å; I549-F683 HydrophobicContact CB-CE1 4.43Å; I549-F683 HydrophobicContact CB-CZ 4.47Å; I549-F683 HydrophobicContact CD1-CB 4.23Å; I549-F683 HydrophobicContact CD1-CD1 3.8Å; I549-F683 HydrophobicContact CD1-CD2 3.51Å; I549-F683 HydrophobicContact CD1-CE1 4Å; I549-F683 HydrophobicContact CD1-CE2 3.73Å; I549-F683 HydrophobicContact CD1-CG 3.57Å; I549-F683 HydrophobicContact CD1-CZ 3.98Å; I549-F683 HydrophobicContact CG2-CD1 4.05Å; I549-F683 HydrophobicContact CG2-CE1 3.64Å; I549-F683 HydrophobicContact CG2-CZ 4.12Å; I549-L688 HydrophobicContact CD1-CD2 3.84Å; I549-A691 HydrophobicContact CB-CB 4.41Å; I549-A691 HydrophobicContact CG1-CB 3.8Å
550L94.6Very high89.9Confident7 Ų727.6 Ų27.64%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-116.3131175.1-66.6177.9000109.8A505 V568 I570 A669 F670A505-L550 HydrophobicContact CB-CD2 3.96Å; L550-V568 HydrophobicContact CD1-CB 3.7Å; L550-V568 HydrophobicContact CD1-CG1 3.94Å; L550-V568 HydrophobicContact CD1-CG2 4.15Å; L550-I570 HydrophobicContact CD1-CD1 3.39Å; L550-I570 HydrophobicContact CD1-CG1 4.01Å; L550-I570 HydrophobicContact CD2-CD1 4.09Å; L550-I570 HydrophobicContact CG-CD1 4.01Å; L550-A669 HydrophobicContact CB-CB 4.05Å; L550-A669 WeakPolarHBondContact O-CA 3.26Å; L550-F670 VanDerWaalsContact O-CD1 3.29Å; L550-F670 WeakPolarHBondContact O-CD1 3.49Å; L550-F670 WeakPolarHBondContact O-CE1 3.49Å; L550-F670 PolarHBondContact O-N 3.28Å
551T93.9Very high90.1Very high0 Ų030.7 Ų30.70%018%0.175CC..EExtended strand (participates in β ladder)trans-133.2157.1179.367.20000111.4L503 S504 Y506 I549 F670 R672 F683L503-T551 CarbonylContact C-O 3.25Å; L503-T551 WeakPolarHBondContact CA-O 3.42Å; S504-T551 PolarHBondContact N-O 2.82Å; S504-T551 PolarHBondContact O-N 2.82Å; Y506-T551 HydrophobicContact CD2-CG2 4.49Å; Y506-T551 HydrophobicContact CE2-CG2 4.29Å; Y506-T551 WeakPolarHBondContact CE2-OG1 3.32Å; I549-T551 HydrophobicContact CG2-CG2 4.18Å; T551-F670 CarbonylContact C-O 3.58Å; T551-F670 WeakPolarHBondContact CA-O 3.3Å; T551-F670 HydrophobicContact CG2-CD2 4.43Å; T551-F670 HydrophobicContact CG2-CE1 4.3Å; T551-F670 HydrophobicContact CG2-CE2 3.92Å; T551-F670 HydrophobicContact CG2-CZ 3.85Å; T551-R672 HydrophobicContact CG2-CB 4.09Å; T551-F683 HydrophobicContact CG2-CE1 4.14Å
552Y93.2Very high89.9Confident6 Ų634.9 Ų34.92%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-127.8151.616872.9-88.6000111.5V501 K502 C560 N561 K564 Y566 A669 F670 C671 R672V501-Y552 HydrophobicContact CB-CD2 4.34Å; V501-Y552 HydrophobicContact CG1-CD2 4.13Å; K502-Y552 CarbonylContact O-C 3.48Å; K502-Y552 VanDerWaalsContact O-CA 3.3Å; K502-Y552 WeakPolarHBondContact O-CA 3.16Å; Y552-C560 HydrophobicContact CD2-CB 4.46Å; Y552-C560 HydrophobicContact CE2-CB 3.73Å; Y552-N561 PolarHBondContact OH-O 2.64Å; Y552-N561 VanDerWaalsContact OH-O 3.14Å; Y552-K564 WeakPolarHBondContact CE1-O 3.38Å; Y552-K564 PolarHBondContact OH-O 2.86Å; Y552-Y566 AromaticContact CD1-CD2 3.71Å; Y552-Y566 HydrophobicContact CD1-CD2 3.71Å; Y552-Y566 HydrophobicContact CD1-CE2 4.13Å; Y552-Y566 HydrophobicContact CD2-CD2 4.45Å; Y552-Y566 HydrophobicContact CD2-CE2 4.18Å; Y552-Y566 AromaticContact CE1-CD2 3.59Å; Y552-Y566 HydrophobicContact CE1-CD2 3.59Å; Y552-Y566 AromaticContact CE1-CE2 3.74Å; Y552-Y566 HydrophobicContact CE1-CE2 3.74Å; Y552-Y566 HydrophobicContact CE2-CD2 4.36Å; Y552-Y566 AromaticContact CE2-CE2 3.81Å; Y552-Y566 HydrophobicContact CE2-CE2 3.81Å; Y552-Y566 HydrophobicContact CG-CD2 4.14Å; Y552-Y566 HydrophobicContact CG-CE2 4.33Å; Y552-Y566 AromaticContact CZ-CD2 3.95Å; Y552-Y566 AromaticContact CZ-CE2 3.57Å; Y552-A669 HydrophobicContact CD1-CB 4.23Å; Y552-F670 VanDerWaalsContact CD1-C 3.42Å; Y552-F670 WeakPolarHBondContact CD1-O 3.12Å; Y552-F670 PolarHBondContact N-O 2.9Å; Y552-C671 HydrophobicContact CE1-CB 3.99Å; Y552-C671 HydrophobicContact CE2-CB 4.14Å; Y552-R672 PolarHBondContact O-N 3.46Å
553T92.2Very high89.5Confident7 Ų743.6 Ų43.64%0.04324%0.236CC..EExtended strand (participates in β ladder)trans-136.6149.7-178.258.60000109.7V501 K502 R672 I677V501-T553 CarbonylContact C-O 3.47Å; V501-T553 WeakPolarHBondContact CA-O 3.19Å; V501-T553 WeakPolarHBondContact CB-O 3.45Å; K502-T553 PolarHBondContact N-O 2.65Å; K502-T553 PolarHBondContact O-N 3.12Å; K502-T553 PolarHBondContact O-OG1 2.91Å; T553-R672 WeakPolarHBondContact CG2-O 3.31Å; T553-I677 HydrophobicContact CG2-CD1 3.22Å; T553-I677 HydrophobicContact CG2-CG1 4.49Å
554S90.2Very high89.4Confident18 Ų1846.1 Ų46.113%0.12625%0.247CC..EExtended strand (participates in β ladder)trans-73135.4169175.20000109.9D556 G557 K558S554-D556 PolarHBondContact O-N 2.64Å; S554-D556 PolarHBondContact OG-N 2.93Å; S554-G557 PolarHBondContact O-N 2.7Å; S554-K558 VanDerWaalsContact CB-O 3.25Å; S554-K558 WeakPolarHBondContact CB-O 3.32Å
555V88.7Confident89.3Confident57 Ų5748.4 Ų48.435%0.34526%0.261SS..THydrogen-bonded Turntrans-61.9-35.6174.1175.40000111H412 V500 K502 G557H412-V555 HydrophobicContact CB-CG1 4.24Å; H412-V555 VanDerWaalsContact O-CG1 3.3Å; H412-V555 WeakPolarHBondContact O-CG1 3.22Å; V500-V555 HydrophobicContact CB-CG2 4.07Å; V500-V555 HydrophobicContact CG1-CG2 3.78Å; V500-V555 PolarHBondContact O-N 2.84Å; K502-V555 HydrophobicContact CB-CG2 4.36Å; V555-G557 PolarHBondContact O-N 3Å
556D86.9Confident89.3Confident56 Ų5646.6 Ų46.630%0.29925%0.251SS..THydrogen-bonded Turntrans-75.1-3.8179.3-56.3-46.2000114.5H412 Y479 S554 K558H412-D556 IonicContact CE1-OD1 3.98Å; H412-D556 IonicContact CG-OD1 2.83Å; H412-D556 IonicContact ND1-OD1 2.79Å; H412-D556 PolarHBondContact ND1-OD1 2.88Å; Y479-D556 WeakPolarHBondContact CE2-OD2 3.5Å; Y479-D556 PolarHBondContact OH-OD2 3.26Å; S554-D556 PolarHBondContact O-N 2.64Å; S554-D556 PolarHBondContact OG-N 2.93Å; D556-K558 HydrophobicContact CB-CD 4.36Å; D556-K558 HydrophobicContact CB-CG 4.08Å; D556-K558 PolarHBondContact O-N 2.78Å
557G83.9Confident89.3Confident35 Ų3549.4 Ų49.436%0.36127%0.27SS..  trans69.411.4-171.700000114.5S554 V555S554-G557 PolarHBondContact O-N 2.7Å; V555-G557 PolarHBondContact O-N 3Å
558K85.2Confident89.4Confident112 Ų11248.1 Ų48.149%0.48726%0.264SS..PPolyproline II helixtrans-64.6142.3170.9-69.7176.9-178.3169.90109.8N477 S554 D556 C560N477-K558 PolarHBondContact O-NZ 2.81Å; S554-K558 VanDerWaalsContact CB-O 3.25Å; S554-K558 WeakPolarHBondContact CB-O 3.32Å; D556-K558 HydrophobicContact CB-CD 4.36Å; D556-K558 HydrophobicContact CB-CG 4.08Å; D556-K558 PolarHBondContact O-N 2.78Å; K558-C560 PolarHBondContact O-N 2.84Å
559P86.2Confident89.3Confident114 Ų11449.3 Ų49.374%0.7427%0.271SS*.PPolyproline II helixtrans-63.8133.2178.226.4-33.4000110.4
560C85.7Confident89.2Confident21 Ų2149.3 Ų49.314%0.14227%0.271CS..PPolyproline II helixtrans-90.8162178.250.50000111.9Y552 K558 P562 C671 D673Y552-C560 HydrophobicContact CD2-CB 4.46Å; Y552-C560 HydrophobicContact CE2-CB 3.73Å; K558-C560 PolarHBondContact O-N 2.84Å; C560-P562 VanDerWaalsContact O-CD 3.29Å; C560-P562 WeakPolarHBondContact O-CD 3.17Å; C560-C671 VanDerWaalsContact CA-SG 3.56Å; C560-C671 HydrophobicContact CB-CB 3.86Å; C560-C671 WeakPolarHBondContact CB-SG 3.39Å; C560-C671 PolarHBondContact O-SG 3.47Å; C560-C671 VanDerWaalsContact SG-CA 3.57Å; C560-C671 WeakPolarHBondContact SG-CB 3.33Å; C560-C671 CovalentContact SG-SG 2.03Å; C560-C671 PolarHBondContact SG-SG 3.38Å; C560-D673 PolarHBondContact N-OD1 3.05Å; C560-D673 VanDerWaalsContact N-OD1 3.15Å
561N84.3Confident88.9Confident85 Ų8549.2 Ų49.246%0.45527%0.27SS..  trans-75.8115.8178.9-176.8-13.9000110.6Y552 Y563 K564 C671Y552-N561 PolarHBondContact OH-O 2.64Å; Y552-N561 VanDerWaalsContact OH-O 3.14Å; N561-Y563 PolarHBondContact O-N 2.99Å; N561-Y563 VanDerWaalsContact O-N 3.16Å; N561-Y563 PolarHBondContact OD1-N 3.3Å; N561-K564 HydrophobicContact CB-CB 4.06Å; N561-K564 PolarHBondContact O-N 3.24Å; N561-C671 VanDerWaalsContact O-CB 3.3Å; N561-C671 WeakPolarHBondContact O-CB 3.47Å
562P83.4Confident88.6Confident88 Ų8849.2 Ų49.257%0.57127%0.27SS*.THydrogen-bonded Turntrans-64.7-21.1-177.326.5-34.8000113.9C560C560-P562 VanDerWaalsContact O-CD 3.29Å; C560-P562 WeakPolarHBondContact O-CD 3.17Å
563Y85.4Confident88.2Confident210 Ų21049.3 Ų49.382%0.82427%0.271SS*.THydrogen-bonded Turntrans-92.8-9.9-178.3-55.4-72000113.6N561N561-Y563 PolarHBondContact O-N 2.99Å; N561-Y563 VanDerWaalsContact O-N 3.16Å; N561-Y563 PolarHBondContact OD1-N 3.3Å
564K88.7Confident87.8Confident56 Ų5649.3 Ų49.324%0.24327%0.271CS..  trans-93.5127.9-179-165.6165.1-174.5173.20109.6Y552 N561 Y566 E732Y552-K564 WeakPolarHBondContact CE1-O 3.38Å; Y552-K564 PolarHBondContact OH-O 2.86Å; N561-K564 HydrophobicContact CB-CB 4.06Å; N561-K564 PolarHBondContact O-N 3.24Å; K564-Y566 WeakPolarHBondContact CE-OH 3.29Å; K564-Y566 HydrophobicContact CG-CE2 4.48Å; K564-E732 PolarHBondContact NZ-O 2.9Å
565T91.1Very high87.3Confident67 Ų6752 Ų5241%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-123.6151.5176.861.10000110.5A669 F670T565-A669 CarbonylContact C-O 3.57Å; T565-A669 VanDerWaalsContact CA-O 3.23Å; T565-A669 WeakPolarHBondContact CA-O 3.32Å; T565-A669 WeakPolarHBondContact CB-O 3.43Å; T565-F670 HydrophobicContact CG2-CB 4Å
566Y91.5Very high86.9Confident4 Ų449.9 Ų49.92%0.01627%0.271CS..EExtended strand (participates in β ladder)trans-118.7128.6179.7-64.5-74000110.6Y552 K564 N668 A669 M720 T721 P734Y552-Y566 AromaticContact CD1-CD2 3.71Å; Y552-Y566 HydrophobicContact CD1-CD2 3.71Å; Y552-Y566 HydrophobicContact CD1-CE2 4.13Å; Y552-Y566 HydrophobicContact CD2-CD2 4.45Å; Y552-Y566 HydrophobicContact CD2-CE2 4.18Å; Y552-Y566 AromaticContact CE1-CD2 3.59Å; Y552-Y566 HydrophobicContact CE1-CD2 3.59Å; Y552-Y566 AromaticContact CE1-CE2 3.74Å; Y552-Y566 HydrophobicContact CE1-CE2 3.74Å; Y552-Y566 HydrophobicContact CE2-CD2 4.36Å; Y552-Y566 AromaticContact CE2-CE2 3.81Å; Y552-Y566 HydrophobicContact CE2-CE2 3.81Å; Y552-Y566 HydrophobicContact CG-CD2 4.14Å; Y552-Y566 HydrophobicContact CG-CE2 4.33Å; Y552-Y566 AromaticContact CZ-CD2 3.95Å; Y552-Y566 AromaticContact CZ-CE2 3.57Å; K564-Y566 WeakPolarHBondContact CE-OH 3.29Å; K564-Y566 HydrophobicContact CG-CE2 4.48Å; Y566-N668 CarbonylContact O-C 3.58Å; Y566-N668 WeakPolarHBondContact O-CA 3.47Å; Y566-A669 PolarHBondContact N-O 2.98Å; Y566-A669 PolarHBondContact O-N 2.74Å; Y566-M720 HydrophobicContact CD1-SD 3.58Å; Y566-M720 VanDerWaalsContact CD1-SD 3.58Å; Y566-M720 HydrophobicContact CD2-SD 4.24Å; Y566-M720 HydrophobicContact CE1-SD 3.97Å; Y566-M720 HydrophobicContact CG-SD 3.72Å; Y566-T721 HydrophobicContact CE1-CG2 4.45Å; Y566-P734 WeakPolarHBondContact OH-CD 3.38Å; Y566-P734 VanDerWaalsContact OH-CG 3.26Å; Y566-P734 WeakPolarHBondContact OH-CG 3.45Å
567P93Very high86.4Confident61 Ų6149 Ų4940%0.39627%0.268SS..EExtended strand (participates in β ladder)trans-68.7134.1175.522.6-25.7000111N668 K719P567-N668 WeakPolarHBondContact CA-OD1 3.29Å; P567-K719 HydrophobicContact CG-CB 4.06Å; P567-K719 PolarHBondContact O-N 3.37Å
568V93Very high85.9Confident3 Ų353.1 Ų53.12%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-130.7127.1-176.5-176.30000109.4L503 L550 I570 G667 A669 W716 I717 A718L503-V568 HydrophobicContact CD2-CG2 3.72Å; L550-V568 HydrophobicContact CD1-CB 3.7Å; L550-V568 HydrophobicContact CD1-CG1 3.94Å; L550-V568 HydrophobicContact CD1-CG2 4.15Å; V568-I570 HydrophobicContact CG1-CG1 4.05Å; V568-G667 PolarHBondContact N-O 3.28Å; V568-G667 PolarHBondContact O-N 3.16Å; V568-G667 VanDerWaalsContact O-O 3.12Å; V568-A669 HydrophobicContact CG2-CB 3.84Å; V568-W716 HydrophobicContact CG1-CB 3.51Å; V568-W716 HydrophobicContact CG1-CG 4.1Å; V568-I717 WeakPolarHBondContact CA-O 3.28Å; V568-A718 HydrophobicContact CG2-CB 4.36Å
569L91.5Very high85.2Confident29 Ų2952 Ų5215%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-92.7130.3170.3-173.470.9000109.1Y644 Q664 E666 W716 I717L569-Y644 WeakPolarHBondContact CD2-OH 3.29Å; L569-Y644 WeakPolarHBondContact CG-OH 3.49Å; L569-Q664 HydrophobicContact CD1-CG 4Å; L569-Q664 HydrophobicContact CG-CG 4.48Å; L569-E666 HydrophobicContact CD1-CG 3.54Å; L569-W716 CarbonylContact O-C 3.58Å; L569-W716 WeakPolarHBondContact O-CA 3.32Å; L569-I717 PolarHBondContact N-O 3.48Å; L569-I717 PolarHBondContact O-N 3.29Å
570I90.8Very high84.7Confident0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-123.3141.1-169.8-46.8168.3000110.1L548 L550 V568 L572 Q664 L665 V714 K715L548-I570 HydrophobicContact CD2-CD1 3.53Å; L548-I570 HydrophobicContact CD2-CG2 4.31Å; L550-I570 HydrophobicContact CD1-CD1 3.39Å; L550-I570 HydrophobicContact CD1-CG1 4.01Å; L550-I570 HydrophobicContact CD2-CD1 4.09Å; L550-I570 HydrophobicContact CG-CD1 4.01Å; V568-I570 HydrophobicContact CG1-CG1 4.05Å; I570-L572 HydrophobicContact CG2-CD2 3.88Å; I570-L572 HydrophobicContact CG2-CG 4.2Å; I570-Q664 VanDerWaalsContact O-CA 3.29Å; I570-Q664 WeakPolarHBondContact O-CA 3.45Å; I570-L665 HydrophobicContact CB-CD2 3.76Å; I570-L665 HydrophobicContact CB-CG 3.9Å; I570-L665 HydrophobicContact CD1-CD1 3.97Å; I570-L665 HydrophobicContact CD1-CD2 4.42Å; I570-L665 HydrophobicContact CD1-CG 3.96Å; I570-L665 HydrophobicContact CG1-CG 4.38Å; I570-L665 HydrophobicContact CG2-CD2 3.91Å; I570-L665 HydrophobicContact CG2-CG 4.5Å; I570-L665 PolarHBondContact N-O 2.9Å; I570-L665 PolarHBondContact O-N 2.98Å; I570-V714 HydrophobicContact CG2-CG1 3.56Å; I570-K715 CarbonylContact C-O 3.6Å; I570-K715 WeakPolarHBondContact CA-O 3.32Å; I570-K715 WeakPolarHBondContact CG2-O 3.36Å
571L87.8Confident84.1Confident4 Ų448.2 Ų48.22%0.02125%0.249CC..EExtended strand (participates in β ladder)trans-117.8117.8169.5-17668.5000109.6L641 Y644 F645 Y662 K715L571-L641 HydrophobicContact CD2-CD2 3.69Å; L571-Y644 HydrophobicContact CB-CD1 3.83Å; L571-Y644 HydrophobicContact CB-CD2 4.46Å; L571-Y644 HydrophobicContact CB-CE1 3.59Å; L571-Y644 HydrophobicContact CB-CE2 4.26Å; L571-Y644 HydrophobicContact CB-CG 4.25Å; L571-Y644 HydrophobicContact CD2-CD1 4.44Å; L571-Y644 HydrophobicContact CD2-CD2 4.05Å; L571-Y644 HydrophobicContact CD2-CE2 4.42Å; L571-Y644 HydrophobicContact CD2-CG 4.05Å; L571-F645 HydrophobicContact CD2-CE2 4.35Å; L571-Y662 HydrophobicContact CD1-CD2 3.67Å; L571-Y662 HydrophobicContact CD1-CG 4.02Å; L571-K715 HydrophobicContact CB-CB 4.33Å; L571-K715 PolarHBondContact N-O 2.82Å; L571-K715 PolarHBondContact O-N 2.73Å
572L88.5Confident83.2Confident1 Ų146.9 Ų46.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-102.8139.4177.4-59.8176.5000111.2L548 I570 F628 Y662 L663 L665 L694 I712 G713 V714L548-L572 HydrophobicContact CD2-CD1 4.46Å; L548-L572 HydrophobicContact CD2-CD2 4.26Å; I570-L572 HydrophobicContact CG2-CD2 3.88Å; I570-L572 HydrophobicContact CG2-CG 4.2Å; L572-F628 HydrophobicContact CB-CD2 4.48Å; L572-F628 HydrophobicContact CB-CE2 3.85Å; L572-F628 HydrophobicContact CB-CZ 3.93Å; L572-Y662 VanDerWaalsContact O-CA 3.26Å; L572-Y662 WeakPolarHBondContact O-CA 2.97Å; L572-Y662 WeakPolarHBondContact O-CB 3.27Å; L572-L663 HydrophobicContact CB-CB 4.4Å; L572-L663 HydrophobicContact CD1-CD2 4.41Å; L572-L663 PolarHBondContact N-O 3.3Å; L572-L663 PolarHBondContact O-N 2.87Å; L572-L663 VanDerWaalsContact O-N 3.09Å; L572-L665 HydrophobicContact CD1-CD2 3.44Å; L572-L665 VanDerWaalsContact CD1-CD2 3.44Å; L572-L665 HydrophobicContact CD2-CD2 4.47Å; L572-L665 HydrophobicContact CG-CD2 3.55Å; L572-L694 HydrophobicContact CD1-CD1 3.71Å; L572-L694 HydrophobicContact CD1-CD2 3.83Å; L572-L694 HydrophobicContact CD1-CG 4.39Å; L572-I712 HydrophobicContact CD2-CG2 4.33Å; L572-G713 WeakPolarHBondContact CA-O 3.47Å; L572-V714 HydrophobicContact CD2-CB 4.11Å; L572-V714 HydrophobicContact CD2-CG1 3.86Å; L572-V714 HydrophobicContact CD2-CG2 3.59Å
573K84.8Confident82Confident8 Ų843.1 Ų43.14%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-135.7130.8170.3-171.9173.2178.280.40110.6P576 W580 G655 S658 G660 I712 G713K573-P576 HydrophobicContact CD-CB 4.29Å; K573-P576 HydrophobicContact CG-CB 4.43Å; K573-W580 HydrophobicContact CB-CH2 4.38Å; K573-W580 HydrophobicContact CB-CZ2 3.86Å; K573-W580 HydrophobicContact CD-CD2 4.41Å; K573-W580 HydrophobicContact CD-CG 4.27Å; K573-G655 WeakPolarHBondContact CE-O 3.48Å; K573-G655 PolarHBondContact NZ-O 2.73Å; K573-S658 VanDerWaalsContact CE-CB 3.48Å; K573-S658 WeakPolarHBondContact CE-OG 3.3Å; K573-S658 PolarHBondContact NZ-O 3.03Å; K573-G660 PolarHBondContact NZ-O 2.87Å; K573-I712 CarbonylContact O-C 3.57Å; K573-I712 WeakPolarHBondContact O-CA 3.42Å; K573-G713 PolarHBondContact N-O 3.2Å; K573-G713 PolarHBondContact O-N 2.93Å
574C84.1Confident79.9Confident7 Ų734.8 Ų34.85%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-80.3138.6172.3-168.60000110I626 F628C574-I626 VanDerWaalsContact SG-CG2 3.56Å; C574-F628 HydrophobicContact CB-CE2 4.29Å; C574-F628 HydrophobicContact CB-CZ 4.16Å
575N78.7Confident77.6Confident75 Ų7537.8 Ų37.840%0.40121%0.209SC..SBendtrans43.256.8-178.1-66.7-27.5000113.6K711N575-K711 PolarHBondContact N-O 3.43Å; N575-K711 PolarHBondContact OD1-N 2.69Å; N575-K711 PolarHBondContact OD1-O 2.88Å
576P79.7Confident74.9Confident11 Ų1143.2 Ų43.27%0.07123%0.23CC..  trans-61.8151.9179.231.7-39.3000111.4K573 W580 I581 L744K573-P576 HydrophobicContact CD-CB 4.29Å; K573-P576 HydrophobicContact CG-CB 4.43Å; P576-W580 HydrophobicContact CB-CB 4.06Å; P576-W580 HydrophobicContact CB-CD2 3.67Å; P576-W580 HydrophobicContact CB-CE3 3.45Å; P576-W580 VanDerWaalsContact CB-CE3 3.45Å; P576-W580 HydrophobicContact CB-CG 3.95Å; P576-W580 HydrophobicContact CB-CZ3 4.19Å; P576-W580 HydrophobicContact CG-CE3 4.08Å; P576-W580 HydrophobicContact CG-CZ3 4.47Å; P576-I581 HydrophobicContact CB-CG1 4.2Å; P576-I581 HydrophobicContact CG-CD1 4.03Å; P576-I581 HydrophobicContact CG-CG1 3.87Å; P576-L744 HydrophobicContact CG-CD1 3.95Å
577T77Confident72.2Confident39 Ų3951.8 Ų51.824%0.23927%0.27CS..  trans-71.3163.8173.669.70000111.2E579 W580 I581T577-E579 WeakPolarHBondContact CB-OE2 3.46Å; T577-E579 PolarHBondContact O-N 3.09Å; T577-E579 PolarHBondContact OG1-OE2 3.09Å; T577-W580 WeakPolarHBondContact O-CB 3.49Å; T577-W580 PolarHBondContact O-N 3.19Å; T577-W580 PolarHBondContact OG1-N 3.28Å; T577-I581 WeakPolarHBondContact O-CG1 3.27Å; T577-I581 PolarHBondContact O-N 2.9Å; T577-I581 VanDerWaalsContact O-N 3.14Å
578N72.7Confident69.3Low120 Ų12054.8 Ų54.864%0.64228%0.282SS*.Hα-helixtrans-59.1-38.5175-74-12000110.9W580 I581 S582N578-W580 VanDerWaalsContact C-N 3.33Å; N578-W580 PolarHBondContact O-N 3.31Å; N578-I581 CarbonylContact O-C 3.54Å; N578-I581 PolarHBondContact O-N 3.43Å; N578-S582 WeakPolarHBondContact O-CA 3.21Å; N578-S582 WeakPolarHBondContact O-CB 3.19Å; N578-S582 PolarHBondContact O-N 3.23Å; N578-S582 PolarHBondContact O-OG 3.38Å
579E71.1Confident66.5Low90 Ų9058.7 Ų58.742%0.42131%0.309SS..Hα-helixtrans-65.2-35178.6-57.376.1-164.700112.5T577 S582 A651 T654T577-E579 WeakPolarHBondContact CB-OE2 3.46Å; T577-E579 PolarHBondContact O-N 3.09Å; T577-E579 PolarHBondContact OG1-OE2 3.09Å; E579-S582 WeakPolarHBondContact CA-OG 3.31Å; E579-S582 CarbonylContact O-C 3.58Å; E579-A651 WeakPolarHBondContact O-CB 3.49Å; E579-T654 HydrophobicContact CB-CG2 4.37Å; E579-T654 HydrophobicContact CG-CG2 4.42Å
580W75.8Confident63.6Low8 Ų863.5 Ų63.53%0.0333%0.331CS..Hα-helixtrans-67.5-38.5175.3-171.799.3000111.5K573 P576 T577 N578 F645 G713 K715 T742K573-W580 HydrophobicContact CB-CH2 4.38Å; K573-W580 HydrophobicContact CB-CZ2 3.86Å; K573-W580 HydrophobicContact CD-CD2 4.41Å; K573-W580 HydrophobicContact CD-CG 4.27Å; P576-W580 HydrophobicContact CB-CB 4.06Å; P576-W580 HydrophobicContact CB-CD2 3.67Å; P576-W580 HydrophobicContact CB-CE3 3.45Å; P576-W580 VanDerWaalsContact CB-CE3 3.45Å; P576-W580 HydrophobicContact CB-CG 3.95Å; P576-W580 HydrophobicContact CB-CZ3 4.19Å; P576-W580 HydrophobicContact CG-CE3 4.08Å; P576-W580 HydrophobicContact CG-CZ3 4.47Å; T577-W580 WeakPolarHBondContact O-CB 3.49Å; T577-W580 PolarHBondContact O-N 3.19Å; T577-W580 PolarHBondContact OG1-N 3.28Å; N578-W580 VanDerWaalsContact C-N 3.33Å; N578-W580 PolarHBondContact O-N 3.31Å; W580-F645 AromaticContact CD1-CZ 3.68Å; W580-F645 HydrophobicContact CG-CZ 4.45Å; W580-F645 AromaticContact NE1-CZ 3.53Å; W580-G713 VanDerWaalsContact CH2-C 3.44Å; W580-G713 VanDerWaalsContact CZ3-CA 3.43Å; W580-K715 HydrophobicContact CH2-CB 4.13Å; W580-K715 HydrophobicContact CH2-CD 4.02Å; W580-K715 HydrophobicContact CH2-CG 3.64Å; W580-K715 HydrophobicContact CZ2-CB 4.41Å; W580-K715 HydrophobicContact CZ2-CD 3.93Å; W580-K715 HydrophobicContact CZ2-CG 4.02Å; W580-K715 HydrophobicContact CZ3-CD 4.46Å; W580-K715 HydrophobicContact CZ3-CG 4.1Å; W580-K715 VanDerWaalsContact O-CE 3.23Å; W580-K715 WeakPolarHBondContact O-CE 3.31Å; W580-T742 HydrophobicContact CZ3-CG2 4.34Å
581I74Confident60.7Low46 Ų4670.4 Ų70.424%0.23637%0.368CS..Hα-helixtrans-72.2-47.5175.5-60.6160.9000109.9P576 T577 N578 E583 L744P576-I581 HydrophobicContact CB-CG1 4.2Å; P576-I581 HydrophobicContact CG-CD1 4.03Å; P576-I581 HydrophobicContact CG-CG1 3.87Å; T577-I581 WeakPolarHBondContact O-CG1 3.27Å; T577-I581 PolarHBondContact O-N 2.9Å; T577-I581 VanDerWaalsContact O-N 3.14Å; N578-I581 CarbonylContact O-C 3.54Å; N578-I581 PolarHBondContact O-N 3.43Å; I581-E583 PolarHBondContact O-N 3.02Å; I581-L744 HydrophobicContact CD1-CD1 3.91Å; I581-L744 HydrophobicContact CD1-CD2 4.05Å; I581-L744 HydrophobicContact CG1-CD1 4.29Å
582S64.3Low58Low57 Ų5779.1 Ų79.140%0.39940%0.402SS..THydrogen-bonded Turntrans-82.160.9-179.476.10000111N578 E579N578-S582 WeakPolarHBondContact O-CA 3.21Å; N578-S582 WeakPolarHBondContact O-CB 3.19Å; N578-S582 PolarHBondContact O-N 3.23Å; N578-S582 PolarHBondContact O-OG 3.38Å; E579-S582 WeakPolarHBondContact CA-OG 3.31Å; E579-S582 CarbonylContact O-C 3.58Å
583E58.3Low55.4Low10 Ų1083.2 Ų83.25%0.04743%0.43CS..THydrogen-bonded Turntrans-76.5-18.7141.3-74.1-154.9114.600111.3I581 F645 K646 R647 N648 K715I581-E583 PolarHBondContact O-N 3.02Å; E583-F645 VanDerWaalsContact CD-CD1 3.46Å; E583-F645 HydrophobicContact CG-CD1 3.94Å; E583-F645 HydrophobicContact CG-CE1 4.42Å; E583-F645 VanDerWaalsContact OE1-C 3.28Å; E583-F645 WeakPolarHBondContact OE1-CA 3.2Å; E583-F645 WeakPolarHBondContact OE1-CB 3.48Å; E583-F645 WeakPolarHBondContact OE1-CD1 3.38Å; E583-K646 PolarHBondContact OE1-N 3.28Å; E583-R647 HydrophobicContact CB-CB 4.49Å; E583-R647 WeakPolarHBondContact O-CD 3.38Å; E583-R647 PolarHBondContact OE1-N 3.18Å; E583-N648 PolarHBondContact OE1-N 3.32Å; E583-K715 IonicContact OE2-NZ 3.04Å; E583-K715 PolarHBondContact OE2-NZ 3.48Å
584G42.1Very low53.3Low35 Ų3586.9 Ų86.936%0.36146%0.455SS..SBendtrans-67.9139.9164.800000110.3
585W39.4Very low51Low119 Ų11993.2 Ų93.245%0.45149%0.488SS..  trans-44.5154.3175.3-69.171.2000111.1Q443 Q587Q443-W585 HydrophobicContact CB-CH2 3.63Å; Q443-W585 HydrophobicContact CB-CZ2 3.33Å; Q443-W585 HydrophobicContact CG-CD2 4.05Å; Q443-W585 VanDerWaalsContact CG-CE2 3.44Å; Q443-W585 HydrophobicContact CG-CE3 4.29Å; Q443-W585 HydrophobicContact CG-CH2 3.4Å; Q443-W585 HydrophobicContact CG-CZ2 3.1Å; Q443-W585 HydrophobicContact CG-CZ3 3.98Å; Q443-W585 VanDerWaalsContact OE1-CZ2 3.25Å; W585-Q587 PolarHBondContact O-N 2.83Å
586E35.3Very low49.3Very low180 Ų18095.6 Ų95.684%0.84149%0.493SS*.  trans-36.596.6161.1-69.5175.5168.300107.7I588E586-I588 PolarHBondContact O-N 2.75Å
587Q35.2Very low47.6Very low184 Ų184101.6 Ų101.686%0.8652%0.524SS*.  trans-54.1104.2137.5-81.8-171.6-16.60099.5W585 S589W585-Q587 PolarHBondContact O-N 2.83Å; Q587-S589 PolarHBondContact O-N 3.24Å
588I30.6Very low46.4Very low124 Ų124101.9 Ų101.964%0.63653%0.528SS*.  trans-36.4106.7163.9-66.1165.1000101E586 Q590E586-I588 PolarHBondContact O-N 2.75Å; I588-Q590 HydrophobicContact CG2-CG 4.3Å; I588-Q590 PolarHBondContact O-N 3.5Å
589S34Very low45.8Very low86 Ų86105 Ų10560%0.60154%0.536SS*.  trans-65.286.8166.254.5000098.9Q587 N591Q587-S589 PolarHBondContact O-N 3.24Å; S589-N591 PolarHBondContact O-N 3.4Å
590Q31.9Very low45.7Very low130 Ų130101.3 Ų101.361%0.60752%0.519SS*.  trans-46.9106.4145.7-73.3-170.6-13.70099.1I588 Y592I588-Q590 HydrophobicContact CG2-CG 4.3Å; I588-Q590 PolarHBondContact O-N 3.5Å; Q590-Y592 HydrophobicContact CB-CD2 3.74Å; Q590-Y592 HydrophobicContact CB-CE2 4.09Å; Q590-Y592 PolarHBondContact O-N 3.03Å
591N30.1Very low45.1Very low145 Ų145107.6 Ų107.678%0.77556%0.559SS**  trans-63.257.8167.7-74.6-29.1000105.8S589 S593S589-N591 PolarHBondContact O-N 3.4Å; N591-S593 PolarHBondContact O-N 2.77Å
592Y31.5Very low44.8Very low186 Ų186107.4 Ų107.473%0.72956%0.555SS**  -49.376.4116.8-62.6-66.8000106.4Q590 P594Q590-Y592 HydrophobicContact CB-CD2 3.74Å; Q590-Y592 HydrophobicContact CB-CE2 4.09Å; Q590-Y592 PolarHBondContact O-N 3.03Å; Y592-P594 WeakPolarHBondContact O-CD 3.35Å
593S31.9Very low44.7Very low87 Ų87110.3 Ų110.361%0.60857%0.567SS**  -41.2111127.2-166.20000102.4N591 D595N591-S593 PolarHBondContact O-N 2.77Å; S593-D595 PolarHBondContact O-N 3.1Å
594P41.3Very low44.7Very low86 Ų86118.8 Ų118.856%0.55861%0.606SS**  trans-55.7105.2168.922.6-27.6000101.9Y592 Y596Y592-P594 WeakPolarHBondContact O-CD 3.35Å; P594-Y596 HydrophobicContact CB-CD2 3.89Å; P594-Y596 HydrophobicContact CB-CE2 4.08Å; P594-Y596 HydrophobicContact CG-CD2 3.99Å; P594-Y596 HydrophobicContact CG-CE2 4.11Å; P594-Y596 PolarHBondContact O-N 3.14Å
595D36.2Very low45.3Very low139 Ų139127.9 Ų127.974%0.74363%0.631SS**  trans-67.580.2172.4-155.312.5000101.3S593 D597S593-D595 PolarHBondContact O-N 3.1Å; D595-D597 PolarHBondContact O-N 3.2Å
596Y43.2Very low46.1Very low126 Ų126123.3 Ų123.349%0.49462%0.618SS.*  trans-66.477161.1-89.3-79.4000102.2P594 S598P594-Y596 HydrophobicContact CB-CD2 3.89Å; P594-Y596 HydrophobicContact CB-CE2 4.08Å; P594-Y596 HydrophobicContact CG-CD2 3.99Å; P594-Y596 HydrophobicContact CG-CE2 4.11Å; P594-Y596 PolarHBondContact O-N 3.14Å; Y596-S598 PolarHBondContact O-N 3.33Å
597D44.6Very low47.5Very low136 Ų136119.8 Ų119.873%0.72761%0.605SS**  trans-56.376.5140.6-104.6-13.9000104.4D595 K599D595-D597 PolarHBondContact O-N 3.2Å; D597-K599 PolarHBondContact O-N 3.32Å
598S51.5Low48.7Very low45 Ų45115 Ų11532%0.31558%0.584SS.*  trans-62.6112.6178.460.20000104.5Y596 C600Y596-S598 PolarHBondContact O-N 3.33Å; S598-C600 PolarHBondContact O-N 3.27Å
599K60.4Low50.5Low187 Ų187110.9 Ų110.981%0.81356%0.563SS**  trans-65.47.3176.9-70.2-177.1178.1177.70112.9D597 T601D597-K599 PolarHBondContact O-N 3.32Å; K599-T601 PolarHBondContact O-N 3.24Å
600C67.8Low51.7Low11 Ų11111.4 Ų111.47%0.07457%0.566CS.*  trans-83.4108.5177.7-58.40000110.5S598 Y602 C759S598-C600 PolarHBondContact O-N 3.27Å; C600-Y602 HydrophobicContact CB-CD2 4.16Å; C600-Y602 HydrophobicContact CB-CE1 3.9Å; C600-Y602 HydrophobicContact CB-CE2 3.34Å; C600-Y602 WeakPolarHBondContact CB-OH 3.28Å; C600-Y602 WeakPolarHBondContact O-CD2 2.91Å; C600-Y602 PolarHBondContact O-N 2.77Å; C600-Y602 PolarHBondContact SG-OH 2.9Å; C600-C759 WeakPolarHBondContact CA-SG 3.42Å; C600-C759 HydrophobicContact CB-CB 3.68Å; C600-C759 WeakPolarHBondContact CB-SG 3.06Å; C600-C759 WeakPolarHBondContact SG-CB 3.38Å; C600-C759 CovalentContact SG-SG 2.03Å; C600-C759 PolarHBondContact SG-SG 3.36Å
601T64.3Low53.1Low140 Ų140111.9 Ų111.986%0.85957%0.566SS**  trans-78.6110.9170.244.60000110.1K599K599-T601 PolarHBondContact O-N 3.24Å
602Y67Low54.8Low42 Ų42106 Ų10617%0.16554%0.535CS..  trans-105.8151.4178.2-59.5-64.7000112.3C600 I608 C759 P881 Q883C600-Y602 HydrophobicContact CB-CD2 4.16Å; C600-Y602 HydrophobicContact CB-CE1 3.9Å; C600-Y602 HydrophobicContact CB-CE2 3.34Å; C600-Y602 WeakPolarHBondContact CB-OH 3.28Å; C600-Y602 WeakPolarHBondContact O-CD2 2.91Å; C600-Y602 PolarHBondContact O-N 2.77Å; C600-Y602 PolarHBondContact SG-OH 2.9Å; Y602-I608 HydrophobicContact CD2-CD1 3.69Å; Y602-I608 HydrophobicContact CD2-CG1 4.18Å; Y602-I608 HydrophobicContact CE2-CG2 4.45Å; Y602-I608 HydrophobicContact CG-CD1 3.96Å; Y602-I608 HydrophobicContact CG-CG1 4.19Å; Y602-C759 HydrophobicContact CE1-CB 4.42Å; Y602-P881 HydrophobicContact CE2-CB 3.97Å; Y602-P881 HydrophobicContact CE2-CG 4.35Å; Y602-P881 PolarHBondContact OH-O 2.97Å; Y602-Q883 HydrophobicContact CD1-CB 3.74Å; Y602-Q883 HydrophobicContact CD1-CG 4.18Å; Y602-Q883 HydrophobicContact CE1-CB 3.96Å
603N61.9Low56.8Low118 Ų11898.7 Ų98.763%0.63151%0.508SS*.  trans-74.5142.8172.7-71.1-27.1000110.9Y605 S606N603-Y605 PolarHBondContact O-N 3.1Å; N603-S606 PolarHBondContact O-N 3.14Å; N603-S606 PolarHBondContact O-OG 3.17Å
604Q57.9Low58.8Low189 Ų18994.7 Ų94.788%0.88348%0.48SS*.THydrogen-bonded Turntrans-63-14.3-178.5-76.3-176.8-19.500115.2
605Y55Low60.1Low226 Ų22695.3 Ų95.389%0.88647%0.474SS*.THydrogen-bonded Turntrans-100.65.3-173.2-65.6-76.2000115N603N603-Y605 PolarHBondContact O-N 3.1Å
606S55.6Low61.9Low23 Ų2393.3 Ų93.316%0.16146%0.46CS..SBendtrans-111.4144.3-177.949.30000112.3N603 I608 Q883N603-S606 PolarHBondContact O-N 3.14Å; N603-S606 PolarHBondContact O-OG 3.17Å; S606-I608 PolarHBondContact O-N 2.97Å; S606-Q883 VanDerWaalsContact CB-CG 3.42Å; S606-Q883 VanDerWaalsContact OG-CD 3.31Å; S606-Q883 WeakPolarHBondContact OG-CG 3.33Å; S606-Q883 PolarHBondContact OG-NE2 2.89Å
607N65.3Low63.4Low106 Ų10687.9 Ų87.957%0.56744%0.439SS*.EExtended strand (participates in β ladder)trans-69.4117.9171.9-72.8-29.2000109V884N607-V884 PolarHBondContact N-O 3.08Å; N607-V884 PolarHBondContact O-N 2.79Å
608I61.4Low64.7Low82 Ų8282.6 Ų82.642%0.42141%0.409SS..EExtended strand (participates in β ladder)trans-89.7121.1172.1-60.7170.3000107.5Y602 S606 P881Y602-I608 HydrophobicContact CD2-CD1 3.69Å; Y602-I608 HydrophobicContact CD2-CG1 4.18Å; Y602-I608 HydrophobicContact CE2-CG2 4.45Å; Y602-I608 HydrophobicContact CG-CD1 3.96Å; Y602-I608 HydrophobicContact CG-CG1 4.19Å; S606-I608 PolarHBondContact O-N 2.97Å; I608-P881 HydrophobicContact CG2-CB 3.5Å; I608-P881 VanDerWaalsContact CG2-CB 3.5Å
609I67.6Low65.6Low38 Ų3887.4 Ų87.420%0.19542%0.424CS..EExtended strand (participates in β ladder)trans-106.7108.4177.3-57.5-179.7000108.1K611 I613 P881 I882 V884 L888I609-K611 HydrophobicContact CG2-CB 4.47Å; I609-K611 WeakPolarHBondContact CG2-O 3.32Å; I609-I613 HydrophobicContact CD1-CD1 4.38Å; I609-I613 HydrophobicContact CG2-CD1 4.19Å; I609-I613 HydrophobicContact CG2-CG1 4.44Å; I609-P881 WeakPolarHBondContact O-CA 3.43Å; I609-I882 PolarHBondContact N-O 2.77Å; I609-I882 PolarHBondContact O-N 3.15Å; I609-V884 HydrophobicContact CD1-CB 4.41Å; I609-V884 HydrophobicContact CD1-CG2 3.62Å; I609-V884 HydrophobicContact CG1-CG2 4.19Å; I609-L888 HydrophobicContact CD1-CD1 3.12Å; I609-L888 HydrophobicContact CD1-CG 3.8Å
610S58.3Low66Low97 Ų9784.6 Ų84.668%0.67842%0.418SS*.  trans-89.6-4.2174-49.50000113.1
611K62.2Low66.1Low140 Ų14085.5 Ų85.561%0.60942%0.42SS*.SBendtrans-97.7132.9-177.1-72.5-171.7174.1-1670111.4I609 I613 E616I609-K611 HydrophobicContact CG2-CB 4.47Å; I609-K611 WeakPolarHBondContact CG2-O 3.32Å; K611-I613 PolarHBondContact O-N 3.28Å; K611-E616 IonicContact NZ-OE1 2.65Å
612N66.3Low66.2Low21 Ų2183.8 Ų83.811%0.11241%0.414CS..  trans-76.291169-171.8-26.7000109.7M614 K615 D705 S877N612-M614 PolarHBondContact O-N 3.02Å; N612-M614 WeakPolarHBondContact OD1-CB 3.1Å; N612-M614 PolarHBondContact OD1-N 2.94Å; N612-K615 HydrophobicContact CB-CB 4.4Å; N612-K615 HydrophobicContact CB-CD 4.02Å; N612-K615 HydrophobicContact CB-CG 4.25Å; N612-K615 WeakPolarHBondContact ND2-CE 3.25Å; N612-K615 PolarHBondContact O-N 2.7Å; N612-K615 PolarHBondContact OD1-N 3.34Å; N612-D705 PolarHBondContact ND2-OD2 3.3Å; N612-S877 VanDerWaalsContact CG-OG 3.28Å; N612-S877 PolarHBondContact ND2-OG 3.43Å; N612-S877 PolarHBondContact OD1-OG 2.8Å; N612-S877 VanDerWaalsContact OD1-OG 3.11Å
613I72.8Confident66.3Low34 Ų3482.6 Ų82.617%0.17441%0.41CS..Hα-helixtrans-60.7-31-177.6-61.1172.6000110.9I609 K611 K615 E616 F617 L875 L888I609-I613 HydrophobicContact CD1-CD1 4.38Å; I609-I613 HydrophobicContact CG2-CD1 4.19Å; I609-I613 HydrophobicContact CG2-CG1 4.44Å; K611-I613 PolarHBondContact O-N 3.28Å; I613-K615 PolarHBondContact O-N 3.05Å; I613-E616 PolarHBondContact O-N 3.39Å; I613-F617 PolarHBondContact O-N 2.97Å; I613-L875 HydrophobicContact CG2-CD2 3.84Å; I613-L888 HydrophobicContact CD1-CD1 3.33Å
614M74Confident66.9Low2 Ų278.1 Ų78.11%0.0139%0.388CS..Hα-helixtrans-65-37.3179.2-164164.6-7400112.4N612 F617 Y618 L703 A805 L875N612-M614 PolarHBondContact O-N 3.02Å; N612-M614 WeakPolarHBondContact OD1-CB 3.1Å; N612-M614 PolarHBondContact OD1-N 2.94Å; M614-F617 WeakPolarHBondContact O-CB 3.41Å; M614-F617 PolarHBondContact O-N 2.71Å; M614-Y618 HydrophobicContact CG-CD2 4.24Å; M614-Y618 HydrophobicContact CG-CE2 3.72Å; M614-Y618 WeakPolarHBondContact O-CD2 3.16Å; M614-Y618 PolarHBondContact O-N 2.94Å; M614-Y618 HydrophobicContact SD-CE2 4.5Å; M614-L703 HydrophobicContact CE-CD2 3.87Å; M614-L703 HydrophobicContact SD-CB 4.02Å; M614-L703 HydrophobicContact SD-CD2 4.25Å; M614-A805 HydrophobicContact CE-CB 3.63Å; M614-A805 HydrophobicContact SD-CB 3.84Å; M614-L875 HydrophobicContact CE-CB 3.87Å
615K69.2Low67.7Low99 Ų9970.1 Ų70.143%0.4335%0.352SS..Hα-helixtrans-64.2-41.8173.8-75.5178178.9171.40112.8N612 I613 F617 Y618 K619 E708N612-K615 HydrophobicContact CB-CB 4.4Å; N612-K615 HydrophobicContact CB-CD 4.02Å; N612-K615 HydrophobicContact CB-CG 4.25Å; N612-K615 WeakPolarHBondContact ND2-CE 3.25Å; N612-K615 PolarHBondContact O-N 2.7Å; N612-K615 PolarHBondContact OD1-N 3.34Å; I613-K615 PolarHBondContact O-N 3.05Å; K615-F617 VanDerWaalsContact C-N 3.34Å; K615-Y618 PolarHBondContact O-N 2.83Å; K615-K619 PolarHBondContact O-N 2.87Å; K615-K619 VanDerWaalsContact O-N 3.13Å; K615-E708 IonicContact NZ-OE1 3.17Å; K615-E708 PolarHBondContact NZ-OE1 2.91Å; K615-E708 IonicContact NZ-OE2 2.73Å; K615-E708 PolarHBondContact NZ-OE2 2.94Å
616E72.7Confident69.1Low97 Ų9759.9 Ų59.945%0.45331%0.313SS..Hα-helixtrans-64.7-40.4175.9-72.6-173.3173.400111.3K611 I613 K619 N620K611-E616 IonicContact NZ-OE1 2.65Å; I613-E616 PolarHBondContact O-N 3.39Å; E616-K619 PolarHBondContact O-N 2.84Å; E616-N620 PolarHBondContact O-N 2.81Å
617F76.2Confident70.4Confident13 Ų1358.9 Ų58.96%0.05731%0.306CS..Hα-helixtrans-56.9-54.2173.6173.2-97.5000111.3I613 M614 K615 K619 N620 Y621 L623 V809 I829 L875I613-F617 PolarHBondContact O-N 2.97Å; M614-F617 WeakPolarHBondContact O-CB 3.41Å; M614-F617 PolarHBondContact O-N 2.71Å; K615-F617 VanDerWaalsContact C-N 3.34Å; F617-K619 VanDerWaalsContact C-N 3.26Å; F617-K619 PolarHBondContact O-N 3.15Å; F617-N620 PolarHBondContact O-N 2.82Å; F617-N620 VanDerWaalsContact O-N 3.16Å; F617-Y621 AromaticContact CD2-CD2 3.43Å; F617-Y621 HydrophobicContact CD2-CD2 3.43Å; F617-Y621 VanDerWaalsContact CD2-CD2 3.43Å; F617-Y621 AromaticContact CD2-CE2 3.38Å; F617-Y621 HydrophobicContact CD2-CE2 3.38Å; F617-Y621 HydrophobicContact CE1-CD2 4.48Å; F617-Y621 AromaticContact CE2-CD2 3.23Å; F617-Y621 HydrophobicContact CE2-CD2 3.23Å; F617-Y621 AromaticContact CE2-CE2 3.19Å; F617-Y621 HydrophobicContact CE2-CE2 3.19Å; F617-Y621 HydrophobicContact CE2-CG 4.15Å; F617-Y621 HydrophobicContact CG-CD2 4.12Å; F617-Y621 HydrophobicContact CG-CE2 4.43Å; F617-Y621 AromaticContact CZ-CD2 3.81Å; F617-Y621 HydrophobicContact CZ-CD2 3.81Å; F617-Y621 HydrophobicContact CZ-CE2 4.15Å; F617-Y621 HydrophobicContact CZ-CG 4.37Å; F617-Y621 VanDerWaalsContact O-CD2 3.26Å; F617-Y621 WeakPolarHBondContact O-CD2 3.27Å; F617-Y621 PolarHBondContact O-N 2.94Å; F617-Y621 VanDerWaalsContact O-N 3.14Å; F617-L623 HydrophobicContact CE1-CD1 3.67Å; F617-L623 HydrophobicContact CZ-CD1 3.99Å; F617-V809 HydrophobicContact CD2-CG1 4.45Å; F617-V809 HydrophobicContact CD2-CG2 4.23Å; F617-V809 HydrophobicContact CE2-CB 4.29Å; F617-V809 HydrophobicContact CE2-CG1 3.84Å; F617-V809 HydrophobicContact CE2-CG2 3.67Å; F617-V809 HydrophobicContact CZ-CG2 3.97Å; F617-I829 HydrophobicContact CE1-CD1 4.32Å; F617-I829 HydrophobicContact CZ-CD1 3.59Å; F617-L875 HydrophobicContact CB-CD1 4.11Å; F617-L875 HydrophobicContact CB-CD2 3.86Å; F617-L875 HydrophobicContact CD1-CD1 3.65Å; F617-L875 HydrophobicContact CD2-CD1 3.88Å; F617-L875 HydrophobicContact CD2-CD2 4.14Å; F617-L875 HydrophobicContact CE1-CD1 4.03Å; F617-L875 HydrophobicContact CE2-CD1 4.26Å; F617-L875 HydrophobicContact CG-CD1 3.58Å; F617-L875 HydrophobicContact CG-CD2 4.05Å; F617-L875 HydrophobicContact CG-CG 4.48Å; F617-L875 HydrophobicContact CZ-CD1 4.33Å
618Y72.2Confident71.3Confident24 Ų2454 Ų549%0.09428%0.28CS..Hα-helixtrans-57.3-39.5179.1-72.9-48.1000113.9M614 K615 Y621 S622 L623 P625 L703M614-Y618 HydrophobicContact CG-CD2 4.24Å; M614-Y618 HydrophobicContact CG-CE2 3.72Å; M614-Y618 WeakPolarHBondContact O-CD2 3.16Å; M614-Y618 PolarHBondContact O-N 2.94Å; M614-Y618 HydrophobicContact SD-CE2 4.5Å; K615-Y618 PolarHBondContact O-N 2.83Å; Y618-Y621 PolarHBondContact O-N 3.17Å; Y618-S622 PolarHBondContact O-N 3.41Å; Y618-L623 WeakPolarHBondContact CB-O 3.43Å; Y618-L623 HydrophobicContact CD1-CB 3.64Å; Y618-L623 HydrophobicContact CD1-CD1 4.29Å; Y618-L623 HydrophobicContact CE1-CB 4.34Å; Y618-L623 PolarHBondContact O-N 2.83Å; Y618-P625 HydrophobicContact CD2-CG 4.13Å; Y618-P625 HydrophobicContact CE1-CB 4.22Å; Y618-P625 HydrophobicContact CE1-CG 4.24Å; Y618-P625 HydrophobicContact CE2-CB 4.19Å; Y618-P625 HydrophobicContact CE2-CG 3.67Å; Y618-P625 WeakPolarHBondContact OH-CB 3.27Å; Y618-L703 HydrophobicContact CE1-CD1 4.3Å; Y618-L703 WeakPolarHBondContact OH-CB 3.25Å; Y618-L703 PolarHBondContact OH-O 2.97Å
619K69.8Low71.9Confident146 Ų14652.4 Ų52.464%0.63527%0.272SS*.Hα-helixtrans-62.4-49176.6-171.7178.1178.9178.90111.9K615 E616 F617 Y621 S622 P659K615-K619 PolarHBondContact O-N 2.87Å; K615-K619 VanDerWaalsContact O-N 3.13Å; E616-K619 PolarHBondContact O-N 2.84Å; F617-K619 VanDerWaalsContact C-N 3.26Å; F617-K619 PolarHBondContact O-N 3.15Å; K619-Y621 VanDerWaalsContact C-N 3.26Å; K619-Y621 PolarHBondContact O-N 2.89Å; K619-S622 PolarHBondContact O-N 2.88Å; K619-P659 HydrophobicContact CB-CG 4.37Å
620N69.5Low71.8Confident128 Ų12860.8 Ų60.868%0.68430%0.301SS*.Hα-helixtrans-64.2-30.8-177.9-72-13.3000113E616 F617E616-N620 PolarHBondContact O-N 2.81Å; F617-N620 PolarHBondContact O-N 2.82Å; F617-N620 VanDerWaalsContact O-N 3.16Å
621Y68.8Low71.8Confident31 Ų3158.5 Ų58.512%0.12228%0.279CS..THydrogen-bonded Turntrans-1016-178-68.3-81.8000113.9F617 Y618 K619 L623 N811 Q830 T833F617-Y621 AromaticContact CD2-CD2 3.43Å; F617-Y621 HydrophobicContact CD2-CD2 3.43Å; F617-Y621 VanDerWaalsContact CD2-CD2 3.43Å; F617-Y621 AromaticContact CD2-CE2 3.38Å; F617-Y621 HydrophobicContact CD2-CE2 3.38Å; F617-Y621 HydrophobicContact CE1-CD2 4.48Å; F617-Y621 AromaticContact CE2-CD2 3.23Å; F617-Y621 HydrophobicContact CE2-CD2 3.23Å; F617-Y621 AromaticContact CE2-CE2 3.19Å; F617-Y621 HydrophobicContact CE2-CE2 3.19Å; F617-Y621 HydrophobicContact CE2-CG 4.15Å; F617-Y621 HydrophobicContact CG-CD2 4.12Å; F617-Y621 HydrophobicContact CG-CE2 4.43Å; F617-Y621 AromaticContact CZ-CD2 3.81Å; F617-Y621 HydrophobicContact CZ-CD2 3.81Å; F617-Y621 HydrophobicContact CZ-CE2 4.15Å; F617-Y621 HydrophobicContact CZ-CG 4.37Å; F617-Y621 VanDerWaalsContact O-CD2 3.26Å; F617-Y621 WeakPolarHBondContact O-CD2 3.27Å; F617-Y621 PolarHBondContact O-N 2.94Å; F617-Y621 VanDerWaalsContact O-N 3.14Å; Y618-Y621 PolarHBondContact O-N 3.17Å; K619-Y621 VanDerWaalsContact C-N 3.26Å; K619-Y621 PolarHBondContact O-N 2.89Å; Y621-L623 HydrophobicContact CG-CD1 4.45Å; Y621-L623 PolarHBondContact O-N 2.8Å; Y621-N811 PolarHBondContact OH-ND2 2.74Å; Y621-N811 PolarHBondContact OH-OD1 2.8Å; Y621-Q830 HydrophobicContact CD1-CG 4.38Å; Y621-T833 HydrophobicContact CE1-CG2 3.98Å; Y621-T833 PolarHBondContact OH-OG1 2.88Å
622S66.9Low71.5Confident103 Ų10359 Ų5972%0.7228%0.282SS*.THydrogen-bonded Turntrans53.434.5-176.8640000113.9Y618 K619Y618-S622 PolarHBondContact O-N 3.41Å; K619-S622 PolarHBondContact O-N 2.88Å
623L68.7Low71Confident17 Ų1763 Ų639%0.08931%0.311CS..  trans-95.7129.8-175.6-68.2174.9000109.9Y536 F617 Y618 Y621 P659 I829Y536-L623 HydrophobicContact CD1-CD2 4.46Å; Y536-L623 HydrophobicContact CD2-CD2 4.35Å; Y536-L623 HydrophobicContact CG-CD2 3.82Å; F617-L623 HydrophobicContact CE1-CD1 3.67Å; F617-L623 HydrophobicContact CZ-CD1 3.99Å; Y618-L623 WeakPolarHBondContact CB-O 3.43Å; Y618-L623 HydrophobicContact CD1-CB 3.64Å; Y618-L623 HydrophobicContact CD1-CD1 4.29Å; Y618-L623 HydrophobicContact CE1-CB 4.34Å; Y618-L623 PolarHBondContact O-N 2.83Å; Y621-L623 HydrophobicContact CG-CD1 4.45Å; Y621-L623 PolarHBondContact O-N 2.8Å; L623-P659 WeakPolarHBondContact O-CB 3.21Å; L623-I829 HydrophobicContact CD1-CG2 4.1Å
624S73.7Confident70.1Confident24 Ų2462.2 Ų62.217%0.16831%0.307CS..  trans-108.8112.8170.2-161.10000111.1I626 G660S624-I626 PolarHBondContact O-N 3.41Å; S624-I626 PolarHBondContact OG-O 2.69Å; S624-G660 WeakPolarHBondContact OG-CA 3.44Å
625P76.2Confident69Low21 Ų2167.3 Ų67.314%0.13634%0.343CS..SBendtrans-70.3-21.8174.827.5-33.5000112.8Y618 F698 R699 I704Y618-P625 HydrophobicContact CD2-CG 4.13Å; Y618-P625 HydrophobicContact CE1-CB 4.22Å; Y618-P625 HydrophobicContact CE1-CG 4.24Å; Y618-P625 HydrophobicContact CE2-CB 4.19Å; Y618-P625 HydrophobicContact CE2-CG 3.67Å; Y618-P625 WeakPolarHBondContact OH-CB 3.27Å; P625-F698 CarbonylContact O-C 3.48Å; P625-R699 PolarHBondContact O-N 2.76Å; P625-I704 HydrophobicContact CB-CG1 4.01Å
626I83.6Confident68.2Low11 Ų1168.2 Ų68.26%0.05635%0.352CS..EExtended strand (participates in β ladder)trans-124.3124.4-177.9-52.5179.4000107.9C574 S624 I696 I697 F698 I704 L710C574-I626 VanDerWaalsContact SG-CG2 3.56Å; S624-I626 PolarHBondContact O-N 3.41Å; S624-I626 PolarHBondContact OG-O 2.69Å; I626-I696 HydrophobicContact CG2-CG2 3.57Å; I626-I697 WeakPolarHBondContact CA-O 3.39Å; I626-F698 HydrophobicContact CD1-CD1 4.2Å; I626-F698 HydrophobicContact CD1-CE1 4.1Å; I626-F698 HydrophobicContact CG1-CD1 4.01Å; I626-F698 HydrophobicContact CG1-CE1 4.35Å; I626-F698 HydrophobicContact CG2-CD1 4.48Å; I626-F698 HydrophobicContact CG2-CE1 4.44Å; I626-I704 HydrophobicContact CD1-CG2 4.49Å; I626-I704 HydrophobicContact CG1-CD1 4.43Å; I626-I704 HydrophobicContact CG1-CG1 4.46Å; I626-L710 HydrophobicContact CD1-CD1 3.49Å; I626-L710 VanDerWaalsContact CD1-CD1 3.49Å; I626-L710 HydrophobicContact CG2-CD1 4.44Å
627V82.4Confident67.3Low3 Ų364.8 Ų64.82%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-136.8158179.8-60.70000111.2I533 I697 R699I533-V627 HydrophobicContact CD1-CG2 4.01Å; V627-I697 HydrophobicContact CG2-CB 3.82Å; V627-I697 HydrophobicContact CG2-CG1 4.4Å; V627-I697 HydrophobicContact CG2-CG2 4.39Å; V627-I697 PolarHBondContact N-O 3.23Å; V627-I697 PolarHBondContact O-N 2.9Å; V627-R699 HydrophobicContact CG2-CG 4.26Å
628F84.7Confident66.3Low3 Ų369.9 Ų69.91%0.01336%0.363CS..EExtended strand (participates in β ladder)trans-91.6150.9171.7-55.7-66.1000110.9L572 C574 E631 L663 L694 I696 I712L572-F628 HydrophobicContact CB-CD2 4.48Å; L572-F628 HydrophobicContact CB-CE2 3.85Å; L572-F628 HydrophobicContact CB-CZ 3.93Å; C574-F628 HydrophobicContact CB-CE2 4.29Å; C574-F628 HydrophobicContact CB-CZ 4.16Å; F628-E631 PolarHBondContact O-N 2.78Å; F628-L663 HydrophobicContact CB-CB 3.85Å; F628-L663 HydrophobicContact CB-CD2 3.95Å; F628-L663 HydrophobicContact CB-CG 4.42Å; F628-L663 HydrophobicContact CD2-CB 3.82Å; F628-L663 HydrophobicContact CG-CB 3.98Å; F628-L663 HydrophobicContact CG-CD2 4.37Å; F628-L694 HydrophobicContact CD1-CD1 3.7Å; F628-L694 HydrophobicContact CD1-CD2 4.14Å; F628-L694 HydrophobicContact CD1-CG 4.18Å; F628-L694 HydrophobicContact CE1-CD1 4.24Å; F628-L694 HydrophobicContact CE1-CD2 3.91Å; F628-L694 HydrophobicContact CE1-CG 4.45Å; F628-L694 HydrophobicContact CG-CD1 4.36Å; F628-I696 HydrophobicContact CD1-CG1 4.16Å; F628-I696 HydrophobicContact CE1-CD1 4.43Å; F628-I696 HydrophobicContact CE1-CG1 4.2Å; F628-I712 HydrophobicContact CZ-CG2 4.18Å
629I75.2Confident65.7Low49 Ų4973.5 Ų73.525%0.25139%0.388SS..THydrogen-bonded Turntrans-68.2138.6167.5-62.3-136.2000109.6L663 R695 I697I629-L663 WeakPolarHBondContact O-CD1 3.14Å; I629-R695 HydrophobicContact CB-CB 4.17Å; I629-R695 HydrophobicContact CD1-CB 4.23Å; I629-R695 HydrophobicContact CD1-CG 3.77Å; I629-R695 HydrophobicContact CG1-CB 3.77Å; I629-R695 HydrophobicContact CG1-CG 3.69Å; I629-R695 PolarHBondContact N-O 3.18Å; I629-R695 VanDerWaalsContact N-O 3.09Å; I629-I697 HydrophobicContact CD1-CD1 3.72Å; I629-I697 HydrophobicContact CD1-CG1 4.12Å; I629-I697 HydrophobicContact CG1-CD1 3.68Å; I629-I697 HydrophobicContact CG1-CG1 3.76Å
630R64.2Low65.3Low214 Ų21469.7 Ų69.781%0.80837%0.374SS*.THydrogen-bonded Turntrans72.728.2-170.3-47.1179.7179.9168.9-1.5114.8K632 L663R630-K632 PolarHBondContact O-N 2.97Å; R630-L663 HydrophobicContact CB-CD1 3.93Å
631E58.6Low65Low48 Ų4864.3 Ų64.322%0.22435%0.345CS..  trans-44.1114.4163.8-175.6171.2-165.100110.1I533 F628 G661 R699I533-E631 HydrophobicContact CG2-CB 4.28Å; I533-E631 VanDerWaalsContact CG2-OE2 3.23Å; I533-E631 WeakPolarHBondContact CG2-OE2 3.23Å; F628-E631 PolarHBondContact O-N 2.78Å; E631-G661 WeakPolarHBondContact OE1-CA 3.32Å; E631-G661 PolarHBondContact OE1-N 3.38Å; E631-R699 IonicContact OE2-NH2 3.14Å; E631-R699 PolarHBondContact OE2-NH2 2.73Å
632K56.8Low64.9Low152 Ų15267.5 Ų67.566%0.66136%0.359SS*.BIsolated β-bridgetrans-98.2134.1168.1-75.9-175.3177.9178.30107.7R630 Y662R630-K632 PolarHBondContact O-N 2.97Å; K632-Y662 HydrophobicContact CB-CE2 4.46Å; K632-Y662 VanDerWaalsContact O-CE1 3.28Å; K632-Y662 WeakPolarHBondContact O-CE1 3.44Å; K632-Y662 PolarHBondContact O-OH 3.44Å
633S55.2Low64.9Low103 Ų10366.8 Ų66.872%0.7235%0.347SS*.  trans-73.7132.6160.7-179.60000108.1S635 Y662S633-S635 PolarHBondContact O-N 2.65Å; S633-Y662 PolarHBondContact O-OH 2.79Å
634L53.8Low65.3Low19 Ų1966 Ų6610%0.09934%0.344CS..  trans-82.182.8-173.7-14966.6000109.2N636 S637 L641 Y662L634-N636 VanDerWaalsContact C-N 3.32Å; L634-S637 VanDerWaalsContact CG-CA 3.47Å; L634-L641 HydrophobicContact CD2-CD1 3.24Å; L634-L641 HydrophobicContact CD2-CD2 4.08Å; L634-L641 HydrophobicContact CD2-CG 3.54Å; L634-Y662 WeakPolarHBondContact CA-OH 3.36Å; L634-Y662 HydrophobicContact CB-CE1 3.46Å; L634-Y662 VanDerWaalsContact CB-CE1 3.46Å; L634-Y662 VanDerWaalsContact CB-CZ 3.42Å; L634-Y662 WeakPolarHBondContact CB-OH 3.25Å; L634-Y662 HydrophobicContact CD1-CD2 4.36Å; L634-Y662 HydrophobicContact CD1-CE1 3.91Å; L634-Y662 HydrophobicContact CD1-CE2 3.36Å; L634-Y662 WeakPolarHBondContact CD1-OH 3.35Å; L634-Y662 HydrophobicContact CD2-CE1 4.16Å; L634-Y662 HydrophobicContact CG-CE1 3.98Å; L634-Y662 HydrophobicContact CG-CE2 4.32Å; L634-Y662 WeakPolarHBondContact CG-OH 3.2Å; L634-Y662 PolarHBondContact N-OH 2.85Å
635S51.7Low65.3Low109 Ų10965.2 Ų65.276%0.76234%0.337SS*.THydrogen-bonded Turntrans-72.4-26.5176.962.80000112.7S633S633-S635 PolarHBondContact O-N 2.65Å
636N52Low64.5Low117 Ų11768.8 Ų68.863%0.62635%0.35SS*.THydrogen-bonded Turntrans-120.762.6178.9-74.28.4000111L634L634-N636 VanDerWaalsContact C-N 3.32Å
637S52.4Low63.2Low26 Ų2671.7 Ų71.718%0.18236%0.361CS..Hα-helixtrans-74.9-32.2-165.353.70000116.8L634 L641L634-S637 VanDerWaalsContact CG-CA 3.47Å; S637-L641 WeakPolarHBondContact O-CB 3.47Å; S637-L641 WeakPolarHBondContact O-CG 3.4Å; S637-L641 PolarHBondContact O-N 2.82Å
638E56.2Low61.9Low120 Ų12074.2 Ų74.256%0.56137%0.374SS*.Hα-helixtrans-69.1-42.4-168.7-70.1-174.5171.700113.3K642E638-K642 WeakPolarHBondContact O-CB 3.37Å; E638-K642 WeakPolarHBondContact O-CD 3.44Å; E638-K642 WeakPolarHBondContact O-CG 3.29Å; E638-K642 PolarHBondContact O-N 2.83Å
639T59.2Low60.7Low100 Ų10079.7 Ų79.761%0.61340%0.4SS*.Hα-helixtrans-75.6-45.7-176.326.20000112.6
640I61.6Low59.9Low66 Ų6680.5 Ų80.534%0.33841%0.41SS..Hα-helixtrans-69.9-38-175.2-60.2173.5000111.5Y644I640-Y644 HydrophobicContact CG2-CE2 4.3Å; I640-Y644 VanDerWaalsContact O-CD2 3.27Å; I640-Y644 WeakPolarHBondContact O-CD2 3.39Å
641L64.1Low59.7Low14 Ų1470.4 Ų70.47%0.07337%0.372CS..Hα-helixtrans-76.7-37.6-178.6-68.3176.3000112.6L571 L634 S637 D643 Y644 F645L571-L641 HydrophobicContact CD2-CD2 3.69Å; L634-L641 HydrophobicContact CD2-CD1 3.24Å; L634-L641 HydrophobicContact CD2-CD2 4.08Å; L634-L641 HydrophobicContact CD2-CG 3.54Å; S637-L641 WeakPolarHBondContact O-CB 3.47Å; S637-L641 WeakPolarHBondContact O-CG 3.4Å; S637-L641 PolarHBondContact O-N 2.82Å; L641-D643 PolarHBondContact O-N 3.2Å; L641-Y644 PolarHBondContact O-N 2.83Å; L641-F645 HydrophobicContact CB-CD2 4.16Å; L641-F645 HydrophobicContact CB-CE2 4.41Å; L641-F645 HydrophobicContact CD2-CE2 4.14Å; L641-F645 VanDerWaalsContact O-CD2 3.29Å; L641-F645 WeakPolarHBondContact O-CD2 3.24Å; L641-F645 PolarHBondContact O-N 3.45Å; L641-F645 VanDerWaalsContact O-N 3.09Å
642K65Low59.9Low98 Ų9870.5 Ų70.543%0.42637%0.371SS..Hα-helixtrans-50.6-34.6179.2-85.5177.4-179.4-1740112.9E638 Y644 F645E638-K642 WeakPolarHBondContact O-CB 3.37Å; E638-K642 WeakPolarHBondContact O-CD 3.44Å; E638-K642 WeakPolarHBondContact O-CG 3.29Å; E638-K642 PolarHBondContact O-N 2.83Å; K642-Y644 VanDerWaalsContact C-N 3.34Å; K642-Y644 PolarHBondContact O-N 2.79Å; K642-F645 CarbonylContact O-C 3.48Å; K642-F645 PolarHBondContact O-N 2.83Å
643D68.7Low60.2Low88 Ų8867.1 Ų67.147%0.47136%0.359SS..THydrogen-bonded Turntrans-65.6-33.5178.7-67.9-13.3000113.6L641 I717L641-D643 PolarHBondContact O-N 3.2Å; D643-I717 HydrophobicContact CB-CD1 3.73Å
644Y75.9Confident60.4Low2 Ų264.4 Ų64.41%0.00834%0.339CS..THydrogen-bonded Turntrans-81.3-31.7176.1-65.3-86.8000112.3L569 L571 I640 L641 K642 K715 I717 N741L569-Y644 WeakPolarHBondContact CD2-OH 3.29Å; L569-Y644 WeakPolarHBondContact CG-OH 3.49Å; L571-Y644 HydrophobicContact CB-CD1 3.83Å; L571-Y644 HydrophobicContact CB-CD2 4.46Å; L571-Y644 HydrophobicContact CB-CE1 3.59Å; L571-Y644 HydrophobicContact CB-CE2 4.26Å; L571-Y644 HydrophobicContact CB-CG 4.25Å; L571-Y644 HydrophobicContact CD2-CD1 4.44Å; L571-Y644 HydrophobicContact CD2-CD2 4.05Å; L571-Y644 HydrophobicContact CD2-CE2 4.42Å; L571-Y644 HydrophobicContact CD2-CG 4.05Å; I640-Y644 HydrophobicContact CG2-CE2 4.3Å; I640-Y644 VanDerWaalsContact O-CD2 3.27Å; I640-Y644 WeakPolarHBondContact O-CD2 3.39Å; L641-Y644 PolarHBondContact O-N 2.83Å; K642-Y644 VanDerWaalsContact C-N 3.34Å; K642-Y644 PolarHBondContact O-N 2.79Å; Y644-K715 HydrophobicContact CD1-CB 4.17Å; Y644-I717 HydrophobicContact CD1-CD1 3.94Å; Y644-I717 HydrophobicContact CD1-CG1 3.89Å; Y644-I717 HydrophobicContact CD2-CD1 4.36Å; Y644-I717 HydrophobicContact CE1-CD1 4.01Å; Y644-I717 HydrophobicContact CE1-CG1 4.04Å; Y644-I717 HydrophobicContact CE2-CD1 4.42Å; Y644-I717 HydrophobicContact CG-CD1 4.14Å; Y644-I717 HydrophobicContact CG-CG1 4.49Å; Y644-N741 PolarHBondContact O-ND2 3.2Å
645F73.6Confident60.7Low6 Ų664 Ų643%0.02634%0.338CS..  trans-100.977.5-174.8-69.2-90.2000111.2L571 W580 E583 L641 K642 A651 K715L571-F645 HydrophobicContact CD2-CE2 4.35Å; W580-F645 AromaticContact CD1-CZ 3.68Å; W580-F645 HydrophobicContact CG-CZ 4.45Å; W580-F645 AromaticContact NE1-CZ 3.53Å; E583-F645 VanDerWaalsContact CD-CD1 3.46Å; E583-F645 HydrophobicContact CG-CD1 3.94Å; E583-F645 HydrophobicContact CG-CE1 4.42Å; E583-F645 VanDerWaalsContact OE1-C 3.28Å; E583-F645 WeakPolarHBondContact OE1-CA 3.2Å; E583-F645 WeakPolarHBondContact OE1-CB 3.48Å; E583-F645 WeakPolarHBondContact OE1-CD1 3.38Å; L641-F645 HydrophobicContact CB-CD2 4.16Å; L641-F645 HydrophobicContact CB-CE2 4.41Å; L641-F645 HydrophobicContact CD2-CE2 4.14Å; L641-F645 VanDerWaalsContact O-CD2 3.29Å; L641-F645 WeakPolarHBondContact O-CD2 3.24Å; L641-F645 PolarHBondContact O-N 3.45Å; L641-F645 VanDerWaalsContact O-N 3.09Å; K642-F645 CarbonylContact O-C 3.48Å; K642-F645 PolarHBondContact O-N 2.83Å; F645-A651 HydrophobicContact CD1-CB 4.19Å; F645-A651 HydrophobicContact CE1-CB 4.25Å; F645-K715 HydrophobicContact CE1-CD 4.18Å; F645-K715 HydrophobicContact CE2-CD 4.4Å; F645-K715 HydrophobicContact CZ-CD 4.03Å
646K60.4Low61Low97 Ų9765.4 Ų65.442%0.42233%0.328SS..SBendtrans-79-23.1-177.5-68.8-166.5174.9-165.20114E583 P738E583-K646 PolarHBondContact OE1-N 3.28Å; K646-P738 HydrophobicContact CD-CB 4.16Å
647R56.3Low61.2Low71 Ų7165.5 Ų65.527%0.26833%0.328SS..SBendtrans-105-49.6-169.5-69-162-119.6-159.711.7113.3E583 R739E583-R647 HydrophobicContact CB-CB 4.49Å; E583-R647 WeakPolarHBondContact O-CD 3.38Å; E583-R647 PolarHBondContact OE1-N 3.18Å; R647-R739 VanDerWaalsContact NH2-C 3.28Å; R647-R739 PolarHBondContact NH2-O 3.18Å
648N54.8Low61.4Low56 Ų5665.1 Ų65.130%0.29933%0.326SS..  trans-122.390.2-176.5-171.55000110.4E583 S650 A651E583-N648 PolarHBondContact OE1-N 3.32Å; N648-S650 PolarHBondContact ND2-OG 2.9Å; N648-S650 PolarHBondContact O-N 3.42Å; N648-S650 WeakPolarHBondContact OD1-CB 3.34Å; N648-S650 PolarHBondContact OD1-N 2.83Å; N648-S650 VanDerWaalsContact OD1-N 3.1Å; N648-S650 PolarHBondContact OD1-OG 3.43Å; N648-A651 HydrophobicContact CB-CB 3.92Å; N648-A651 VanDerWaalsContact O-CB 3.28Å; N648-A651 WeakPolarHBondContact O-CB 3.38Å; N648-A651 PolarHBondContact O-N 2.9Å; N648-A651 PolarHBondContact OD1-N 3.03Å
649E58.4Low61.2Low118 Ų11861.2 Ų61.255%0.55131%0.311SS*.Hα-helixtrans-54.4-37.7173.5-68.7-171.9156.700110.5A651 Y652E649-A651 PolarHBondContact O-N 3.47Å; E649-A651 VanDerWaalsContact O-N 3.09Å; E649-Y652 WeakPolarHBondContact O-CB 3.47Å; E649-Y652 WeakPolarHBondContact O-CD1 3.29Å; E649-Y652 PolarHBondContact O-N 3.15Å
650S59.2Low61.1Low67 Ų6757.3 Ų57.347%0.46929%0.291SS..Hα-helixtrans-63.5-21.3178.2750000114.4N648 Y652 L653N648-S650 PolarHBondContact ND2-OG 2.9Å; N648-S650 PolarHBondContact O-N 3.42Å; N648-S650 WeakPolarHBondContact OD1-CB 3.34Å; N648-S650 PolarHBondContact OD1-N 2.83Å; N648-S650 VanDerWaalsContact OD1-N 3.1Å; N648-S650 PolarHBondContact OD1-OG 3.43Å; S650-Y652 VanDerWaalsContact C-N 3.25Å; S650-Y652 PolarHBondContact O-N 3.06Å; S650-L653 WeakPolarHBondContact O-CB 3.36Å; S650-L653 PolarHBondContact O-N 3.05Å
651A60.1Low61.3Low1 Ų154.9 Ų54.91%0.00828%0.282CS..Hα-helixtrans-70.4-19.7173.600000113.1E579 F645 N648 E649 L653 T654 G655E579-A651 WeakPolarHBondContact O-CB 3.49Å; F645-A651 HydrophobicContact CD1-CB 4.19Å; F645-A651 HydrophobicContact CE1-CB 4.25Å; N648-A651 HydrophobicContact CB-CB 3.92Å; N648-A651 VanDerWaalsContact O-CB 3.28Å; N648-A651 WeakPolarHBondContact O-CB 3.38Å; N648-A651 PolarHBondContact O-N 2.9Å; N648-A651 PolarHBondContact OD1-N 3.03Å; E649-A651 PolarHBondContact O-N 3.47Å; E649-A651 VanDerWaalsContact O-N 3.09Å; A651-L653 VanDerWaalsContact C-N 3.33Å; A651-T654 PolarHBondContact O-OG1 2.9Å; A651-G655 PolarHBondContact O-N 3.02Å; A651-G655 VanDerWaalsContact O-N 3.16Å
652Y62.7Low61.8Low51 Ų5155.9 Ų55.920%0.229%0.285CS..Hα-helixtrans-64.4-41.6171.797.6-112.6000110.3E649 S650 G655 Y656E649-Y652 WeakPolarHBondContact O-CB 3.47Å; E649-Y652 WeakPolarHBondContact O-CD1 3.29Å; E649-Y652 PolarHBondContact O-N 3.15Å; S650-Y652 VanDerWaalsContact C-N 3.25Å; S650-Y652 PolarHBondContact O-N 3.06Å; Y652-G655 PolarHBondContact O-N 3.12Å; Y652-Y656 PolarHBondContact O-N 2.97Å
653L62.1Low62.7Low81 Ų8152.1 Ų52.142%0.42427%0.269SS..Hα-helixtrans-63.4-45.6-177.4-73.1165.1000110.7S650 A651 G655 Y656 D657S650-L653 WeakPolarHBondContact O-CB 3.36Å; S650-L653 PolarHBondContact O-N 3.05Å; A651-L653 VanDerWaalsContact C-N 3.33Å; L653-G655 VanDerWaalsContact C-N 3.32Å; L653-G655 PolarHBondContact O-N 3.39Å; L653-Y656 WeakPolarHBondContact O-CB 3.36Å; L653-Y656 PolarHBondContact O-N 3.28Å; L653-D657 PolarHBondContact O-N 3.36Å; L653-D657 VanDerWaalsContact O-N 3.12Å
654T60.9Low63.5Low46 Ų4651.8 Ų51.828%0.28227%0.265SS..Hα-helixtrans-66.6-34.917959.50000112.1E579 A651 S658E579-T654 HydrophobicContact CB-CG2 4.37Å; E579-T654 HydrophobicContact CG-CG2 4.42Å; A651-T654 PolarHBondContact O-OG1 2.9Å; T654-S658 PolarHBondContact O-N 3.21Å
655G58.9Low64Low9 Ų953 Ų539%0.09327%0.271CS..Hα-helixtrans-66.3-34172.700000114.3K573 A651 Y652 L653K573-G655 WeakPolarHBondContact CE-O 3.48Å; K573-G655 PolarHBondContact NZ-O 2.73Å; A651-G655 PolarHBondContact O-N 3.02Å; A651-G655 VanDerWaalsContact O-N 3.16Å; Y652-G655 PolarHBondContact O-N 3.12Å; L653-G655 VanDerWaalsContact C-N 3.32Å; L653-G655 PolarHBondContact O-N 3.39Å
656Y58.4Low64.7Low139 Ų13959.8 Ų59.855%0.54530%0.303SS..Hα-helixtrans-68.7-42.6175.8-175.8-92.8000111.8Y652 L653 S658Y652-Y656 PolarHBondContact O-N 2.97Å; L653-Y656 WeakPolarHBondContact O-CB 3.36Å; L653-Y656 PolarHBondContact O-N 3.28Å; Y656-S658 VanDerWaalsContact C-N 3.28Å; Y656-S658 PolarHBondContact O-N 2.92Å
657D56.2Low66.1Low119 Ų11955.5 Ų55.564%0.63629%0.287SS*.Hα-helixtrans-75.9-11.7-177.9-67.8-23.8000114.1L653L653-D657 PolarHBondContact O-N 3.36Å; L653-D657 VanDerWaalsContact O-N 3.12Å
658S56.7Low67.8Low19 Ų1956.4 Ų56.413%0.13330%0.297CS..SBendtrans-77.1131.8178172.70000111.4K573 T654 Y656K573-S658 VanDerWaalsContact CE-CB 3.48Å; K573-S658 WeakPolarHBondContact CE-OG 3.3Å; K573-S658 PolarHBondContact NZ-O 3.03Å; T654-S658 PolarHBondContact O-N 3.21Å; Y656-S658 VanDerWaalsContact C-N 3.28Å; Y656-S658 PolarHBondContact O-N 2.92Å
659P52.4Low69.7Low37 Ų3753.8 Ų53.824%0.2428%0.283CS..SBendtrans-52.9142.3175.6-22.831.4000112.5K619 L623K619-P659 HydrophobicContact CB-CG 4.37Å; L623-P659 WeakPolarHBondContact O-CB 3.21Å
660G57.5Low71.4Confident19 Ų1948.7 Ų48.720%0.19626%0.259CS..SBendtrans98.9128.7179.700000114.2K573 S624K573-G660 PolarHBondContact NZ-O 2.87Å; S624-G660 WeakPolarHBondContact OG-CA 3.44Å
661G64.9Low73Confident14 Ų1446 Ų4614%0.14424%0.24CC..  trans-69.7166.1173.900000113.4E631E631-G661 WeakPolarHBondContact OE1-CA 3.32Å; E631-G661 PolarHBondContact OE1-N 3.38Å
662Y75.7Confident74.4Confident36 Ų3646.3 Ų46.314%0.14124%0.241CC..EExtended strand (participates in β ladder)trans-103.2153.5178.654.8-79.8000109.3L571 L572 K632 S633 L634L571-Y662 HydrophobicContact CD1-CD2 3.67Å; L571-Y662 HydrophobicContact CD1-CG 4.02Å; L572-Y662 VanDerWaalsContact O-CA 3.26Å; L572-Y662 WeakPolarHBondContact O-CA 2.97Å; L572-Y662 WeakPolarHBondContact O-CB 3.27Å; K632-Y662 HydrophobicContact CB-CE2 4.46Å; K632-Y662 VanDerWaalsContact O-CE1 3.28Å; K632-Y662 WeakPolarHBondContact O-CE1 3.44Å; K632-Y662 PolarHBondContact O-OH 3.44Å; S633-Y662 PolarHBondContact O-OH 2.79Å; L634-Y662 WeakPolarHBondContact CA-OH 3.36Å; L634-Y662 HydrophobicContact CB-CE1 3.46Å; L634-Y662 VanDerWaalsContact CB-CE1 3.46Å; L634-Y662 VanDerWaalsContact CB-CZ 3.42Å; L634-Y662 WeakPolarHBondContact CB-OH 3.25Å; L634-Y662 HydrophobicContact CD1-CD2 4.36Å; L634-Y662 HydrophobicContact CD1-CE1 3.91Å; L634-Y662 HydrophobicContact CD1-CE2 3.36Å; L634-Y662 WeakPolarHBondContact CD1-OH 3.35Å; L634-Y662 HydrophobicContact CD2-CE1 4.16Å; L634-Y662 HydrophobicContact CG-CE1 3.98Å; L634-Y662 HydrophobicContact CG-CE2 4.32Å; L634-Y662 WeakPolarHBondContact CG-OH 3.2Å; L634-Y662 PolarHBondContact N-OH 2.85Å
663L83.5Confident75.7Confident19 Ų1946.4 Ų46.410%0.09925%0.245CC..EExtended strand (participates in β ladder)trans-117120.2171.418065.5000109.1L572 F628 I629 R630 L665 L694L572-L663 HydrophobicContact CB-CB 4.4Å; L572-L663 HydrophobicContact CD1-CD2 4.41Å; L572-L663 PolarHBondContact N-O 3.3Å; L572-L663 PolarHBondContact O-N 2.87Å; L572-L663 VanDerWaalsContact O-N 3.09Å; F628-L663 HydrophobicContact CB-CB 3.85Å; F628-L663 HydrophobicContact CB-CD2 3.95Å; F628-L663 HydrophobicContact CB-CG 4.42Å; F628-L663 HydrophobicContact CD2-CB 3.82Å; F628-L663 HydrophobicContact CG-CB 3.98Å; F628-L663 HydrophobicContact CG-CD2 4.37Å; I629-L663 WeakPolarHBondContact O-CD1 3.14Å; R630-L663 HydrophobicContact CB-CD1 3.93Å; L663-L665 HydrophobicContact CG-CD2 4.46Å; L663-L694 HydrophobicContact CD2-CD1 3.4Å; L663-L694 VanDerWaalsContact CD2-CD1 3.4Å
664Q84Confident76.7Confident80 Ų8045.3 Ų45.337%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-90.3129.8166.7-176.5176.7-9.600109L569 I570L569-Q664 HydrophobicContact CD1-CG 4Å; L569-Q664 HydrophobicContact CG-CG 4.48Å; I570-Q664 VanDerWaalsContact O-CA 3.29Å; I570-Q664 WeakPolarHBondContact O-CA 3.45Å
665L86.8Confident77.8Confident28 Ų2848 Ų4815%0.14725%0.252CS..EExtended strand (participates in β ladder)trans-140161.3175.868.5152000111L548 I570 L572 L663L548-L665 HydrophobicContact CD2-CD1 3.86Å; I570-L665 HydrophobicContact CB-CD2 3.76Å; I570-L665 HydrophobicContact CB-CG 3.9Å; I570-L665 HydrophobicContact CD1-CD1 3.97Å; I570-L665 HydrophobicContact CD1-CD2 4.42Å; I570-L665 HydrophobicContact CD1-CG 3.96Å; I570-L665 HydrophobicContact CG1-CG 4.38Å; I570-L665 HydrophobicContact CG2-CD2 3.91Å; I570-L665 HydrophobicContact CG2-CG 4.5Å; I570-L665 PolarHBondContact N-O 2.9Å; I570-L665 PolarHBondContact O-N 2.98Å; L572-L665 HydrophobicContact CD1-CD2 3.44Å; L572-L665 VanDerWaalsContact CD1-CD2 3.44Å; L572-L665 HydrophobicContact CD2-CD2 4.47Å; L572-L665 HydrophobicContact CG-CD2 3.55Å; L663-L665 HydrophobicContact CG-CD2 4.46Å
666E88.4Confident79Confident148 Ų14851.1 Ų51.169%0.69226%0.263SS*.EExtended strand (participates in β ladder)trans-108.3142.7171.5-68.6178.1174.300108.9L569 S692L569-E666 HydrophobicContact CD1-CG 3.54Å; E666-S692 PolarHBondContact O-OG 3.25Å
667G89.9Confident80.1Confident8 Ų846.9 Ų46.98%0.08225%0.249CC..EExtended strand (participates in β ladder)trans-149.6173.7175.600000111V568V568-G667 PolarHBondContact N-O 3.28Å; V568-G667 PolarHBondContact O-N 3.16Å; V568-G667 VanDerWaalsContact O-O 3.12Å
668N93.2Very high81.4Confident90 Ų9047.5 Ų47.548%0.48125%0.248SC..EExtended strand (participates in β ladder)trans-120.3126.6177.5-67.8-35000109.6Y566 P567Y566-N668 CarbonylContact O-C 3.58Å; Y566-N668 WeakPolarHBondContact O-CA 3.47Å; P567-N668 WeakPolarHBondContact CA-OD1 3.29Å
669A93.8Very high82.8Confident0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-81.4127171.700000110L503 L550 Y552 T565 Y566 V568L503-A669 HydrophobicContact CD2-CB 4.08Å; L550-A669 HydrophobicContact CB-CB 4.05Å; L550-A669 WeakPolarHBondContact O-CA 3.26Å; Y552-A669 HydrophobicContact CD1-CB 4.23Å; T565-A669 CarbonylContact C-O 3.57Å; T565-A669 VanDerWaalsContact CA-O 3.23Å; T565-A669 WeakPolarHBondContact CA-O 3.32Å; T565-A669 WeakPolarHBondContact CB-O 3.43Å; Y566-A669 PolarHBondContact N-O 2.98Å; Y566-A669 PolarHBondContact O-N 2.74Å; V568-A669 HydrophobicContact CG2-CB 3.84Å
670F93.6Very high84.2Confident12 Ų1259.2 Ų59.25%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-108.5159.5175.662.4-92.7000111.9I549 L550 T551 Y552 T565 R672 F683 E687 L690I549-F670 HydrophobicContact CG2-CE1 3.57Å; I549-F670 HydrophobicContact CG2-CZ 3.55Å; L550-F670 VanDerWaalsContact O-CD1 3.29Å; L550-F670 WeakPolarHBondContact O-CD1 3.49Å; L550-F670 WeakPolarHBondContact O-CE1 3.49Å; L550-F670 PolarHBondContact O-N 3.28Å; T551-F670 CarbonylContact C-O 3.58Å; T551-F670 WeakPolarHBondContact CA-O 3.3Å; T551-F670 HydrophobicContact CG2-CD2 4.43Å; T551-F670 HydrophobicContact CG2-CE1 4.3Å; T551-F670 HydrophobicContact CG2-CE2 3.92Å; T551-F670 HydrophobicContact CG2-CZ 3.85Å; Y552-F670 VanDerWaalsContact CD1-C 3.42Å; Y552-F670 WeakPolarHBondContact CD1-O 3.12Å; Y552-F670 PolarHBondContact N-O 2.9Å; T565-F670 HydrophobicContact CG2-CB 4Å; F670-R672 PolarHBondContact O-N 2.95Å; F670-F683 HydrophobicContact CZ-CD1 4.48Å; F670-F683 HydrophobicContact CZ-CE1 4.41Å; F670-E687 HydrophobicContact CE2-CB 4.15Å; F670-E687 HydrophobicContact CE2-CG 3.79Å; F670-E687 HydrophobicContact CZ-CB 3.94Å; F670-E687 HydrophobicContact CZ-CG 4.12Å; F670-L690 HydrophobicContact CB-CD1 4.39Å; F670-L690 HydrophobicContact CD1-CB 4.17Å; F670-L690 HydrophobicContact CD1-CD1 4.05Å; F670-L690 HydrophobicContact CE1-CB 4.21Å; F670-L690 HydrophobicContact CE1-CD1 4.46Å; F670-L690 HydrophobicContact CG-CD1 4.1Å
671C92.2Very high85.5Confident11 Ų1162.1 Ų62.17%0.07431%0.309CS..EExtended strand (participates in β ladder)trans-66.4132.3-177.8163.60000111.2Y552 C560 N561Y552-C671 HydrophobicContact CE1-CB 3.99Å; Y552-C671 HydrophobicContact CE2-CB 4.14Å; C560-C671 VanDerWaalsContact CA-SG 3.56Å; C560-C671 HydrophobicContact CB-CB 3.86Å; C560-C671 WeakPolarHBondContact CB-SG 3.39Å; C560-C671 PolarHBondContact O-SG 3.47Å; C560-C671 VanDerWaalsContact SG-CA 3.57Å; C560-C671 WeakPolarHBondContact SG-CB 3.33Å; C560-C671 CovalentContact SG-SG 2.03Å; C560-C671 PolarHBondContact SG-SG 3.38Å; N561-C671 VanDerWaalsContact O-CB 3.3Å; N561-C671 WeakPolarHBondContact O-CB 3.47Å
672R91.4Very high86.4Confident6 Ų666.6 Ų66.62%0.02334%0.335CS..  trans-133.9112.7168-170.3176.3-166.586.7-6.3108.5T551 Y552 T553 F670 K676 I677 I681 E687T551-R672 HydrophobicContact CG2-CB 4.09Å; Y552-R672 PolarHBondContact O-N 3.46Å; T553-R672 WeakPolarHBondContact CG2-O 3.31Å; F670-R672 PolarHBondContact O-N 2.95Å; R672-K676 HydrophobicContact CG-CB 4.24Å; R672-K676 HydrophobicContact CG-CD 4.36Å; R672-I677 HydrophobicContact CG-CD1 4.41Å; R672-I677 HydrophobicContact CG-CG1 4.04Å; R672-I681 PolarHBondContact NH2-O 3.45Å; R672-E687 IonicContact CZ-OE2 3.59Å; R672-E687 IonicContact NH1-OE1 3.75Å; R672-E687 PolarHBondContact NH1-OE1 2.9Å; R672-E687 IonicContact NH1-OE2 2.89Å; R672-E687 PolarHBondContact NH1-OE2 2.94Å
673D88.4Confident87Confident54 Ų5466.7 Ų66.729%0.28934%0.337SS..  trans-61.9148-178.9-62.9-45.2000112.4C560 N675 K676 I677C560-D673 PolarHBondContact N-OD1 3.05Å; C560-D673 VanDerWaalsContact N-OD1 3.15Å; D673-N675 PolarHBondContact O-N 3.48Å; D673-K676 WeakPolarHBondContact O-CB 3.14Å; D673-K676 PolarHBondContact O-N 3.11Å; D673-I677 PolarHBondContact O-N 3.4Å
674L84Confident87.2Confident58 Ų5869.4 Ų69.430%0.30435%0.351SS..Hα-helixtrans-55.3-38.1-177.3-162.782.6000112.4K676 I677 Q678L674-K676 VanDerWaalsContact C-N 3.33Å; L674-K676 PolarHBondContact O-N 3.44Å; L674-I677 WeakPolarHBondContact O-CB 3.4Å; L674-I677 PolarHBondContact O-N 3.04Å; L674-Q678 HydrophobicContact CG-CG 4.49Å; L674-Q678 PolarHBondContact O-N 3.44Å
675N84.4Confident87.4Confident103 Ų10371.1 Ų71.155%0.55136%0.359SS*.Hα-helixtrans-60.6-41.6179.4-59.5-5.2000111.6D673 I677 Q678 D679D673-N675 PolarHBondContact O-N 3.48Å; N675-I677 PolarHBondContact O-N 3.32Å; N675-Q678 PolarHBondContact O-N 3.29Å; N675-D679 WeakPolarHBondContact O-CB 3.38Å; N675-D679 PolarHBondContact O-N 3.2Å
676K84Confident87.4Confident73 Ų7375.4 Ų75.432%0.31738%0.382SS..Hα-helixtrans-61.8-32176.6-67.3-174.6172-177.60112.1R672 D673 L674 K680 I681 E687R672-K676 HydrophobicContact CG-CB 4.24Å; R672-K676 HydrophobicContact CG-CD 4.36Å; D673-K676 WeakPolarHBondContact O-CB 3.14Å; D673-K676 PolarHBondContact O-N 3.11Å; L674-K676 VanDerWaalsContact C-N 3.33Å; L674-K676 PolarHBondContact O-N 3.44Å; K676-K680 PolarHBondContact O-N 3.08Å; K676-I681 HydrophobicContact CB-CD1 4.4Å; K676-I681 HydrophobicContact CG-CD1 4.25Å; K676-I681 PolarHBondContact O-N 3.19Å; K676-E687 IonicContact NZ-OE1 3.55Å; K676-E687 PolarHBondContact NZ-OE1 3.31Å
677I81.5Confident87.4Confident51 Ų5169.2 Ų69.226%0.26235%0.353SS..Hα-helixtrans-76.3-46.9178.8-59.6-178.4000110.4T553 R672 D673 L674 N675 D679 K680T553-I677 HydrophobicContact CG2-CD1 3.22Å; T553-I677 HydrophobicContact CG2-CG1 4.49Å; R672-I677 HydrophobicContact CG-CD1 4.41Å; R672-I677 HydrophobicContact CG-CG1 4.04Å; D673-I677 PolarHBondContact O-N 3.4Å; L674-I677 WeakPolarHBondContact O-CB 3.4Å; L674-I677 PolarHBondContact O-N 3.04Å; N675-I677 PolarHBondContact O-N 3.32Å; I677-D679 VanDerWaalsContact C-N 3.35Å; I677-D679 PolarHBondContact O-N 3.43Å; I677-K680 PolarHBondContact O-N 3.25Å; I677-K680 VanDerWaalsContact O-N 3.11Å
678Q83.4Confident87.3Confident132 Ų13269.2 Ų69.262%0.61735%0.351SS*.Hα-helixtrans-61.6-42.2178.4-71.5-178.9-10.900111.9L674 N675 K680L674-Q678 HydrophobicContact CG-CG 4.49Å; L674-Q678 PolarHBondContact O-N 3.44Å; N675-Q678 PolarHBondContact O-N 3.29Å; Q678-K680 PolarHBondContact O-N 2.98Å
679D85.2Confident87Confident118 Ų11869.7 Ų69.763%0.63135%0.354SS*.THydrogen-bonded Turntrans-76.80177.8-67.2-26.8000113.4N675 I677 I681N675-D679 WeakPolarHBondContact O-CB 3.38Å; N675-D679 PolarHBondContact O-N 3.2Å; I677-D679 VanDerWaalsContact C-N 3.35Å; I677-D679 PolarHBondContact O-N 3.43Å; D679-I681 HydrophobicContact CB-CD1 4.12Å; D679-I681 HydrophobicContact CB-CG1 3.79Å; D679-I681 PolarHBondContact O-N 3.06Å
680K81.3Confident86.7Confident184 Ų18474.8 Ų74.880%0.838%0.381SS*.THydrogen-bonded Turntrans49.939.5-177.9-61.7-178179.6177.90113.2K676 I677 Q678K676-K680 PolarHBondContact O-N 3.08Å; I677-K680 PolarHBondContact O-N 3.25Å; I677-K680 VanDerWaalsContact O-N 3.11Å; Q678-K680 PolarHBondContact O-N 2.98Å
681I84.8Confident86.5Confident80 Ų8074.7 Ų74.741%0.4138%0.382SS..PPolyproline II helixtrans-65.8129.8179.7-58.7-179000108.4R672 K676 D679R672-I681 PolarHBondContact NH2-O 3.45Å; K676-I681 HydrophobicContact CB-CD1 4.4Å; K676-I681 HydrophobicContact CG-CD1 4.25Å; K676-I681 PolarHBondContact O-N 3.19Å; D679-I681 HydrophobicContact CB-CD1 4.12Å; D679-I681 HydrophobicContact CB-CG1 3.79Å; D679-I681 PolarHBondContact O-N 3.06Å
682P85Confident86.4Confident107 Ų10775.7 Ų75.770%0.69539%0.389SS*.PPolyproline II helixtrans-66.9158.5178.526.4-33.5000112
683F88.4Confident86.2Confident39 Ų3979.2 Ų79.217%0.17141%0.412CS..PPolyproline II helixtrans-68.8133.9175.4-65.5-84.7000110.7Y506 I549 T551 F670 E687 L688Y506-F683 HydrophobicContact CD1-CE2 4.19Å; Y506-F683 HydrophobicContact CD1-CZ 4.16Å; Y506-F683 HydrophobicContact CD2-CE2 4.35Å; Y506-F683 AromaticContact CD2-CZ 3.62Å; Y506-F683 HydrophobicContact CD2-CZ 3.62Å; Y506-F683 HydrophobicContact CE2-CZ 4.07Å; Y506-F683 AromaticContact CG-CE2 3.93Å; Y506-F683 HydrophobicContact CG-CE2 3.93Å; Y506-F683 AromaticContact CG-CZ 3.68Å; Y506-F683 HydrophobicContact CG-CZ 3.68Å; I549-F683 HydrophobicContact CB-CE1 4.43Å; I549-F683 HydrophobicContact CB-CZ 4.47Å; I549-F683 HydrophobicContact CD1-CB 4.23Å; I549-F683 HydrophobicContact CD1-CD1 3.8Å; I549-F683 HydrophobicContact CD1-CD2 3.51Å; I549-F683 HydrophobicContact CD1-CE1 4Å; I549-F683 HydrophobicContact CD1-CE2 3.73Å; I549-F683 HydrophobicContact CD1-CG 3.57Å; I549-F683 HydrophobicContact CD1-CZ 3.98Å; I549-F683 HydrophobicContact CG2-CD1 4.05Å; I549-F683 HydrophobicContact CG2-CE1 3.64Å; I549-F683 HydrophobicContact CG2-CZ 4.12Å; T551-F683 HydrophobicContact CG2-CE1 4.14Å; F670-F683 HydrophobicContact CZ-CD1 4.48Å; F670-F683 HydrophobicContact CZ-CE1 4.41Å; F683-E687 WeakPolarHBondContact CA-OE2 3.36Å; F683-E687 HydrophobicContact CB-CB 4.41Å; F683-E687 HydrophobicContact CD1-CB 4.2Å; F683-E687 WeakPolarHBondContact CD1-OE2 3.24Å; F683-L688 HydrophobicContact CB-CD2 4.05Å; F683-L688 HydrophobicContact CB-CG 4.13Å
684N88.2Confident86.3Confident75 Ų7576.8 Ų76.840%0.40140%0.399SS..PPolyproline II helixtrans-82171.2174.370.621.7000111.1D686 E687 L688N684-D686 VanDerWaalsContact C-N 3.3Å; N684-D686 PolarHBondContact O-N 3.11Å; N684-D686 PolarHBondContact OD1-N 3.34Å; N684-E687 PolarHBondContact N-OE2 3.23Å; N684-E687 PolarHBondContact O-N 3.46Å; N684-E687 VanDerWaalsContact OD1-CB 3.27Å; N684-E687 WeakPolarHBondContact OD1-CB 3.1Å; N684-E687 WeakPolarHBondContact OD1-CG 3.35Å; N684-E687 PolarHBondContact OD1-N 2.84Å; N684-L688 WeakPolarHBondContact O-CG 3.43Å; N684-L688 PolarHBondContact O-N 2.72Å
685Q87.2Confident86.6Confident117 Ų11777.4 Ų77.455%0.54740%0.397SS..Hα-helixtrans-63.4-34.6-176.1-168.660.340.700113.1L688 N689Q685-L688 PolarHBondContact O-N 3.04Å; Q685-N689 PolarHBondContact NE2-OD1 3.34Å; Q685-N689 PolarHBondContact O-N 3.37Å; Q685-N689 PolarHBondContact O-ND2 2.98Å; Q685-N689 PolarHBondContact O-OD1 2.92Å
686D87.3Confident86.8Confident118 Ų11872.5 Ų72.563%0.63137%0.371SS*.Hα-helixtrans-68.1-41.1178.7-62.4-35.6000111.5N684 N689 L690N684-D686 VanDerWaalsContact C-N 3.3Å; N684-D686 PolarHBondContact O-N 3.11Å; N684-D686 PolarHBondContact OD1-N 3.34Å; D686-N689 WeakPolarHBondContact O-CB 3.39Å; D686-N689 PolarHBondContact O-N 3.01Å; D686-L690 PolarHBondContact O-N 3.2Å
687E88.5Confident87Confident18 Ų1869.1 Ų69.18%0.08436%0.356CS..Hα-helixtrans-63.8-40.8173.3-71.8172.8175.500111F670 R672 K676 F683 N684 N689 L690F670-E687 HydrophobicContact CE2-CB 4.15Å; F670-E687 HydrophobicContact CE2-CG 3.79Å; F670-E687 HydrophobicContact CZ-CB 3.94Å; F670-E687 HydrophobicContact CZ-CG 4.12Å; R672-E687 IonicContact CZ-OE2 3.59Å; R672-E687 IonicContact NH1-OE1 3.75Å; R672-E687 PolarHBondContact NH1-OE1 2.9Å; R672-E687 IonicContact NH1-OE2 2.89Å; R672-E687 PolarHBondContact NH1-OE2 2.94Å; K676-E687 IonicContact NZ-OE1 3.55Å; K676-E687 PolarHBondContact NZ-OE1 3.31Å; F683-E687 WeakPolarHBondContact CA-OE2 3.36Å; F683-E687 HydrophobicContact CB-CB 4.41Å; F683-E687 HydrophobicContact CD1-CB 4.2Å; F683-E687 WeakPolarHBondContact CD1-OE2 3.24Å; N684-E687 PolarHBondContact N-OE2 3.23Å; N684-E687 PolarHBondContact O-N 3.46Å; N684-E687 VanDerWaalsContact OD1-CB 3.27Å; N684-E687 WeakPolarHBondContact OD1-CB 3.1Å; N684-E687 WeakPolarHBondContact OD1-CG 3.35Å; N684-E687 PolarHBondContact OD1-N 2.84Å; E687-N689 VanDerWaalsContact C-N 3.28Å; E687-N689 PolarHBondContact O-N 2.88Å; E687-L690 PolarHBondContact O-N 3.47Å
688L87.4Confident87.3Confident7 Ų766.7 Ų66.74%0.03734%0.343CS..Hα-helixtrans-65.3-30.2175.3-70.3172.8000112.8I549 F683 N684 Q685 L690 A691I549-L688 HydrophobicContact CD1-CD2 3.84Å; F683-L688 HydrophobicContact CB-CD2 4.05Å; F683-L688 HydrophobicContact CB-CG 4.13Å; N684-L688 WeakPolarHBondContact O-CG 3.43Å; N684-L688 PolarHBondContact O-N 2.72Å; Q685-L688 PolarHBondContact O-N 3.04Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-A691 WeakPolarHBondContact O-CB 3.49Å; L688-A691 PolarHBondContact O-N 2.74Å
689N87.7Confident87.2Confident101 Ų10161.1 Ų61.154%0.5432%0.317SS..Hα-helixtrans-71.1-26.1176.7-68.2-23.8000112.5Q685 D686 E687 A691Q685-N689 PolarHBondContact NE2-OD1 3.34Å; Q685-N689 PolarHBondContact O-N 3.37Å; Q685-N689 PolarHBondContact O-ND2 2.98Å; Q685-N689 PolarHBondContact O-OD1 2.92Å; D686-N689 WeakPolarHBondContact O-CB 3.39Å; D686-N689 PolarHBondContact O-N 3.01Å; E687-N689 VanDerWaalsContact C-N 3.28Å; E687-N689 PolarHBondContact O-N 2.88Å; N689-A691 VanDerWaalsContact C-N 3.29Å
690L86.6Confident86.8Confident107 Ų10755.6 Ų55.656%0.5629%0.287SS*.THydrogen-bonded Turntrans-76.7-14.8175.3-64.3172.6000113.2F670 D686 E687 L688F670-L690 HydrophobicContact CB-CD1 4.39Å; F670-L690 HydrophobicContact CD1-CB 4.17Å; F670-L690 HydrophobicContact CD1-CD1 4.05Å; F670-L690 HydrophobicContact CE1-CB 4.21Å; F670-L690 HydrophobicContact CE1-CD1 4.46Å; F670-L690 HydrophobicContact CG-CD1 4.1Å; D686-L690 PolarHBondContact O-N 3.2Å; E687-L690 PolarHBondContact O-N 3.47Å; L688-L690 VanDerWaalsContact C-N 3.31Å
691A89.1Confident86.5Confident10 Ų1046.9 Ų46.98%0.08325%0.249CC..SBendtrans-78.2142.8-173.500000113.7K547 L548 I549 L688 N689K547-A691 HydrophobicContact CB-CB 4.02Å; K547-A691 HydrophobicContact CD-CB 4.12Å; K547-A691 HydrophobicContact CG-CB 4.48Å; K547-A691 PolarHBondContact NZ-O 3.04Å; L548-A691 WeakPolarHBondContact O-CB 3.44Å; I549-A691 HydrophobicContact CB-CB 4.41Å; I549-A691 HydrophobicContact CG1-CB 3.8Å; L688-A691 WeakPolarHBondContact O-CB 3.49Å; L688-A691 PolarHBondContact O-N 2.74Å; N689-A691 VanDerWaalsContact C-N 3.29Å
692S90Very high85.8Confident31 Ų3147 Ų4722%0.21725%0.245CC..EExtended strand (participates in β ladder)trans-70.6135.9175.2-66.70000110.4L548 E666L548-S692 PolarHBondContact N-O 3.45Å; L548-S692 PolarHBondContact O-N 3.02Å; E666-S692 PolarHBondContact O-OG 3.25Å
693T88.9Confident85.1Confident81 Ų8142.1 Ų42.150%0.49721%0.213SC..EExtended strand (participates in β ladder)trans-91.1126-179.8-48.70000109.9M510 M546 K547M510-T693 HydrophobicContact CE-CG2 4.34Å; M510-T693 HydrophobicContact SD-CG2 4.27Å; M546-T693 CarbonylContact O-C 3.55Å; M546-T693 WeakPolarHBondContact O-CA 3.31Å; K547-T693 PolarHBondContact NZ-OG1 2.87Å
694L89.5Confident84.5Confident3 Ų340.7 Ų40.72%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-114.7132.2-179.5177.467.3000109L507 M546 L572 F628 L663 I696L507-L694 HydrophobicContact CD1-CD2 4.31Å; M546-L694 PolarHBondContact N-O 2.9Å; M546-L694 PolarHBondContact O-N 3.36Å; L572-L694 HydrophobicContact CD1-CD1 3.71Å; L572-L694 HydrophobicContact CD1-CD2 3.83Å; L572-L694 HydrophobicContact CD1-CG 4.39Å; F628-L694 HydrophobicContact CD1-CD1 3.7Å; F628-L694 HydrophobicContact CD1-CD2 4.14Å; F628-L694 HydrophobicContact CD1-CG 4.18Å; F628-L694 HydrophobicContact CE1-CD1 4.24Å; F628-L694 HydrophobicContact CE1-CD2 3.91Å; F628-L694 HydrophobicContact CE1-CG 4.45Å; F628-L694 HydrophobicContact CG-CD1 4.36Å; L663-L694 HydrophobicContact CD2-CD1 3.4Å; L663-L694 VanDerWaalsContact CD2-CD1 3.4Å; L694-I696 HydrophobicContact CD2-CD1 4.34Å; L694-I696 HydrophobicContact CD2-CG1 4.24Å; L694-I696 HydrophobicContact CG-CG1 4.27Å
695R89.7Confident83.8Confident70 Ų7038.1 Ų38.126%0.26419%0.194SC..EExtended strand (participates in β ladder)trans-109.6125.2172.9-174175-83.3-173.91.1110.7E529 I544 D545 I629E529-R695 IonicContact OE1-NH1 3.78Å; E529-R695 IonicContact OE2-NH1 2.96Å; E529-R695 PolarHBondContact OE2-NH1 3.47Å; I544-R695 WeakPolarHBondContact O-CA 3.33Å; D545-R695 VanDerWaalsContact OD1-CB 3.24Å; D545-R695 WeakPolarHBondContact OD1-CB 3.27Å; D545-R695 WeakPolarHBondContact OD1-CD 3.47Å; D545-R695 WeakPolarHBondContact OD1-CG 3.46Å; D545-R695 IonicContact OD1-CZ 3.25Å; D545-R695 IonicContact OD1-NE 3.95Å; D545-R695 PolarHBondContact OD1-NE 2.65Å; D545-R695 IonicContact OD1-NH2 2.7Å; D545-R695 IonicContact OD2-CZ 2.64Å; D545-R695 IonicContact OD2-NE 3.66Å; D545-R695 IonicContact OD2-NH2 3.94Å; D545-R695 PolarHBondContact OD2-NH2 2.92Å; I629-R695 HydrophobicContact CB-CB 4.17Å; I629-R695 HydrophobicContact CD1-CB 4.23Å; I629-R695 HydrophobicContact CD1-CG 3.77Å; I629-R695 HydrophobicContact CG1-CB 3.77Å; I629-R695 HydrophobicContact CG1-CG 3.69Å; I629-R695 PolarHBondContact N-O 3.18Å; I629-R695 VanDerWaalsContact N-O 3.09Å
696I89.8Confident83.4Confident1 Ų133.2 Ų33.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-107133.4179-56.4-178000108.8C543 I544 M546 I626 F628 L694 F698 L710 I712C543-I696 WeakPolarHBondContact CA-O 3.44Å; I544-I696 HydrophobicContact CG2-CB 4.12Å; I544-I696 PolarHBondContact N-O 3.12Å; I544-I696 PolarHBondContact O-N 2.97Å; M546-I696 HydrophobicContact CG-CD1 4.39Å; M546-I696 HydrophobicContact SD-CD1 3.53Å; M546-I696 VanDerWaalsContact SD-CD1 3.53Å; M546-I696 HydrophobicContact SD-CG1 4.46Å; I626-I696 HydrophobicContact CG2-CG2 3.57Å; F628-I696 HydrophobicContact CD1-CG1 4.16Å; F628-I696 HydrophobicContact CE1-CD1 4.43Å; F628-I696 HydrophobicContact CE1-CG1 4.2Å; L694-I696 HydrophobicContact CD2-CD1 4.34Å; L694-I696 HydrophobicContact CD2-CG1 4.24Å; L694-I696 HydrophobicContact CG-CG1 4.27Å; I696-F698 HydrophobicContact CG2-CE1 4.47Å; I696-F698 HydrophobicContact CG2-CE2 4.43Å; I696-F698 HydrophobicContact CG2-CZ 4.23Å; I696-L710 HydrophobicContact CD1-CD2 4.45Å; I696-I712 HydrophobicContact CD1-CD1 3.73Å
697I87.7Confident82.8Confident1 Ų128.3 Ų28.31%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-110.7127.1176.5-49.6-167.4000109A530 I533 A541 C543 I626 V627 I629 R699A530-I697 HydrophobicContact CB-CG2 4.24Å; I533-I697 HydrophobicContact CD1-CD1 3.59Å; A541-I697 HydrophobicContact CB-CG2 4.12Å; C543-I697 WeakPolarHBondContact SG-CG1 3.39Å; I626-I697 WeakPolarHBondContact CA-O 3.39Å; V627-I697 HydrophobicContact CG2-CB 3.82Å; V627-I697 HydrophobicContact CG2-CG1 4.4Å; V627-I697 HydrophobicContact CG2-CG2 4.39Å; V627-I697 PolarHBondContact N-O 3.23Å; V627-I697 PolarHBondContact O-N 2.9Å; I629-I697 HydrophobicContact CD1-CD1 3.72Å; I629-I697 HydrophobicContact CD1-CG1 4.12Å; I629-I697 HydrophobicContact CG1-CD1 3.68Å; I629-I697 HydrophobicContact CG1-CG1 3.76Å; I697-R699 HydrophobicContact CG2-CG 4.27Å
698F88.3Confident82.2Confident0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-94.698.1168.5-61.4-73.9000108.3L516 L520 L523 A541 K542 I544 P625 I626 I696 T701 I704L516-F698 HydrophobicContact CD1-CZ 4.36Å; L520-F698 HydrophobicContact CD1-CD1 4.34Å; L520-F698 HydrophobicContact CD1-CG 4.43Å; L520-F698 HydrophobicContact CD2-CD1 4.23Å; L520-F698 HydrophobicContact CD2-CD2 3.9Å; L520-F698 HydrophobicContact CD2-CE1 4.2Å; L520-F698 HydrophobicContact CD2-CE2 3.88Å; L520-F698 HydrophobicContact CD2-CG 4.07Å; L520-F698 HydrophobicContact CD2-CZ 4.03Å; L523-F698 HydrophobicContact CD1-CD2 3.77Å; L523-F698 HydrophobicContact CD1-CE2 3.7Å; A541-F698 WeakPolarHBondContact CA-O 3.37Å; K542-F698 PolarHBondContact N-O 2.83Å; K542-F698 WeakPolarHBondContact O-CB 3.32Å; K542-F698 PolarHBondContact O-N 3.44Å; I544-F698 HydrophobicContact CB-CE2 4.47Å; I544-F698 HydrophobicContact CG2-CE2 3.75Å; I544-F698 HydrophobicContact CG2-CZ 4.38Å; P625-F698 CarbonylContact O-C 3.48Å; I626-F698 HydrophobicContact CD1-CD1 4.2Å; I626-F698 HydrophobicContact CD1-CE1 4.1Å; I626-F698 HydrophobicContact CG1-CD1 4.01Å; I626-F698 HydrophobicContact CG1-CE1 4.35Å; I626-F698 HydrophobicContact CG2-CD1 4.48Å; I626-F698 HydrophobicContact CG2-CE1 4.44Å; I696-F698 HydrophobicContact CG2-CE1 4.47Å; I696-F698 HydrophobicContact CG2-CE2 4.43Å; I696-F698 HydrophobicContact CG2-CZ 4.23Å; F698-T701 HydrophobicContact CB-CG2 4.37Å; F698-I704 HydrophobicContact CB-CD1 3.43Å; F698-I704 VanDerWaalsContact CB-CD1 3.43Å; F698-I704 HydrophobicContact CD1-CD1 3.51Å; F698-I704 HydrophobicContact CG-CD1 3.89Å
699R81.1Confident81.9Confident15 Ų1535.7 Ų35.76%0.05717%0.174CC..EExtended strand (participates in β ladder)trans-76.7126.1172-59.1-170.2-168.4-16914.8108.1T534 Y536 A538 P625 V627 E631 I697T534-R699 PolarHBondContact O-NH1 3.47Å; T534-R699 VanDerWaalsContact O-NH1 3.1Å; T534-R699 PolarHBondContact O-NH2 2.84Å; Y536-R699 PolarHBondContact O-NH1 3.44Å; A538-R699 HydrophobicContact CB-CB 4.15Å; P625-R699 PolarHBondContact O-N 2.76Å; V627-R699 HydrophobicContact CG2-CG 4.26Å; E631-R699 IonicContact OE2-NH2 3.14Å; E631-R699 PolarHBondContact OE2-NH2 2.73Å; I697-R699 HydrophobicContact CG2-CG 4.27Å
700D76.8Confident81.8Confident2 Ų231.1 Ų31.11%0.01115%0.149CC..SBendtrans5977.4177.9-160.9-15.4000112.5Y536 A538 S540 Y702 L703 H837Y536-D700 HydrophobicContact CE1-CB 4.27Å; Y536-D700 PolarHBondContact OH-OD2 3.17Å; A538-D700 HydrophobicContact CB-CB 3.87Å; S540-D700 WeakPolarHBondContact O-CA 3.43Å; S540-D700 PolarHBondContact O-N 2.64Å; D700-Y702 PolarHBondContact O-N 2.95Å; D700-Y702 WeakPolarHBondContact OD1-CB 3.26Å; D700-Y702 WeakPolarHBondContact OD1-CD2 3.31Å; D700-L703 HydrophobicContact CB-CD1 4.37Å; D700-L703 PolarHBondContact O-N 2.96Å; D700-L703 WeakPolarHBondContact OD2-CD1 3.12Å; D700-H837 IonicContact OD1-CE1 3.68Å; D700-H837 IonicContact OD2-CE1 3.22Å; D700-H837 PolarHBondContact OD2-CE1 2.94Å
701T74.2Confident81.7Confident1 Ų129.8 Ų29.81%0.00614%0.139CC..G310 helixtrans-57.3-21.2-176.951.70000114L520 N521 K542 F698 L703 Y840L520-T701 HydrophobicContact CB-CG2 3.82Å; L520-T701 HydrophobicContact CD1-CG2 4.44Å; N521-T701 PolarHBondContact OD1-OG1 3.47Å; K542-T701 HydrophobicContact CB-CG2 3.85Å; K542-T701 HydrophobicContact CG-CG2 3.55Å; F698-T701 HydrophobicContact CB-CG2 4.37Å; T701-L703 PolarHBondContact O-N 3.2Å; T701-Y840 PolarHBondContact OG1-OH 2.85Å
702Y69.7Low81.7Confident82 Ų8229.4 Ų29.432%0.32214%0.136SC..G310 helixtrans-68-21.5178.6-56.1-95.8000113.5S540 D700 Y840S540-Y702 WeakPolarHBondContact OG-CE2 3.32Å; D700-Y702 PolarHBondContact O-N 2.95Å; D700-Y702 WeakPolarHBondContact OD1-CB 3.26Å; D700-Y702 WeakPolarHBondContact OD1-CD2 3.31Å; Y702-Y840 AromaticContact CD1-CD1 3.31Å; Y702-Y840 HydrophobicContact CD1-CD1 3.31Å; Y702-Y840 AromaticContact CD1-CE1 3.02Å; Y702-Y840 HydrophobicContact CD1-CE1 3.02Å; Y702-Y840 AromaticContact CE1-CD1 3.82Å; Y702-Y840 HydrophobicContact CE1-CD1 3.82Å; Y702-Y840 AromaticContact CE1-CE1 3.26Å; Y702-Y840 HydrophobicContact CE1-CE1 3.26Å; Y702-Y840 HydrophobicContact CG-CD1 4.19Å; Y702-Y840 AromaticContact CG-CE1 3.76Å; Y702-Y840 HydrophobicContact CG-CE1 3.76Å
703L70.6Confident81.7Confident5 Ų528 Ų283%0.02613%0.125CC..G310 helixtrans-112.59.5-172.4-57.2178.2000113.2M614 Y618 D700 T701 A807 I835M614-L703 HydrophobicContact CE-CD2 3.87Å; M614-L703 HydrophobicContact SD-CB 4.02Å; M614-L703 HydrophobicContact SD-CD2 4.25Å; Y618-L703 HydrophobicContact CE1-CD1 4.3Å; Y618-L703 WeakPolarHBondContact OH-CB 3.25Å; Y618-L703 PolarHBondContact OH-O 2.97Å; D700-L703 HydrophobicContact CB-CD1 4.37Å; D700-L703 PolarHBondContact O-N 2.96Å; D700-L703 WeakPolarHBondContact OD2-CD1 3.12Å; T701-L703 PolarHBondContact O-N 3.2Å; L703-A807 HydrophobicContact CD2-CB 3.74Å; L703-I835 HydrophobicContact CD1-CD1 4.13Å
704I77.3Confident81.7Confident9 Ų924.1 Ų24.15%0.04610%0.102CC..  trans-92.1122.6177.9-69.1160.1000110.3L520 P625 I626 F698 Q706L520-I704 HydrophobicContact CD1-CB 3.88Å; L520-I704 HydrophobicContact CD1-CD1 3.83Å; L520-I704 HydrophobicContact CD1-CG1 4.48Å; L520-I704 HydrophobicContact CD1-CG2 3.81Å; P625-I704 HydrophobicContact CB-CG1 4.01Å; I626-I704 HydrophobicContact CD1-CG2 4.49Å; I626-I704 HydrophobicContact CG1-CD1 4.43Å; I626-I704 HydrophobicContact CG1-CG1 4.46Å; F698-I704 HydrophobicContact CB-CD1 3.43Å; F698-I704 VanDerWaalsContact CB-CD1 3.43Å; F698-I704 HydrophobicContact CD1-CD1 3.51Å; F698-I704 HydrophobicContact CG-CD1 3.89Å; I704-Q706 PolarHBondContact O-N 2.96Å
705D73.6Confident81.7Confident22 Ų2224 Ų2412%0.11810%0.101CC..  trans-72107.5173.5-163.4-17.8000111.4N612 T707 S877N612-D705 PolarHBondContact ND2-OD2 3.3Å; D705-T707 VanDerWaalsContact C-N 3.34Å; D705-T707 WeakPolarHBondContact OD1-CA 3.46Å; D705-T707 VanDerWaalsContact OD1-CB 3.28Å; D705-T707 WeakPolarHBondContact OD1-CB 3.24Å; D705-T707 PolarHBondContact OD1-N 3.09Å; D705-T707 PolarHBondContact OD1-OG1 2.9Å; D705-T707 PolarHBondContact OD2-OG1 2.81Å; D705-S877 VanDerWaalsContact CB-OG 3.24Å; D705-S877 WeakPolarHBondContact CB-OG 3.43Å; D705-S877 PolarHBondContact OD2-OG 2.91Å
706Q78.2Confident81.7Confident13 Ų1321 Ų216%0.0619%0.09CC..SBendtrans-87.3-3175.3-65.3171.4-300113.1S518 L520 I704 E708 F749S518-Q706 PolarHBondContact O-OE1 2.82Å; L520-Q706 HydrophobicContact CD1-CG 4.43Å; I704-Q706 PolarHBondContact O-N 2.96Å; Q706-E708 VanDerWaalsContact C-N 3.34Å; Q706-F749 HydrophobicContact CB-CB 4.47Å; Q706-F749 HydrophobicContact CB-CD2 4.22Å; Q706-F749 HydrophobicContact CB-CG 4.16Å; Q706-F749 HydrophobicContact CG-CD1 4.21Å; Q706-F749 HydrophobicContact CG-CE1 4.33Å; Q706-F749 HydrophobicContact CG-CG 4.34Å
707T74.6Confident81.7Confident16 Ų1623.3 Ų23.310%0.09810%0.101CC..SBendtrans-81.9-16.5176.972.90000112.6D705 Y804 N879D705-T707 VanDerWaalsContact C-N 3.34Å; D705-T707 WeakPolarHBondContact OD1-CA 3.46Å; D705-T707 VanDerWaalsContact OD1-CB 3.28Å; D705-T707 WeakPolarHBondContact OD1-CB 3.24Å; D705-T707 PolarHBondContact OD1-N 3.09Å; D705-T707 PolarHBondContact OD1-OG1 2.9Å; D705-T707 PolarHBondContact OD2-OG1 2.81Å; T707-Y804 HydrophobicContact CG2-CD2 3.84Å; T707-Y804 HydrophobicContact CG2-CE2 4.43Å; T707-Y804 HydrophobicContact CG2-CG 4.4Å; T707-N879 PolarHBondContact OG1-N 2.82Å; T707-N879 VanDerWaalsContact OG1-N 3.14Å
708E75.1Confident81.8Confident44 Ų4424.5 Ų24.521%0.20611%0.112CC..SBendtrans-104.4153.9175.1-70.6-171-16500112.1K615 Q706 F749 N879K615-E708 IonicContact NZ-OE1 3.17Å; K615-E708 PolarHBondContact NZ-OE1 2.91Å; K615-E708 IonicContact NZ-OE2 2.73Å; K615-E708 PolarHBondContact NZ-OE2 2.94Å; Q706-E708 VanDerWaalsContact C-N 3.34Å; E708-F749 WeakPolarHBondContact O-CD2 3.36Å; E708-F749 WeakPolarHBondContact O-CE2 3.39Å; E708-N879 HydrophobicContact CG-CB 3.85Å
709R81.1Confident81.7Confident135 Ų13530.8 Ų30.851%0.50914%0.139SC..PPolyproline II helixtrans-70.8135.2170.3-64.9-175.7179.6164.22.1110.1K711 Q746 I747 S748R709-K711 PolarHBondContact O-N 2.79Å; R709-Q746 HydrophobicContact CB-CB 4.44Å; R709-Q746 VanDerWaalsContact NH1-OE1 3.07Å; R709-I747 CarbonylContact C-O 3.53Å; R709-I747 VanDerWaalsContact CA-O 3.31Å; R709-I747 WeakPolarHBondContact CA-O 3.3Å; R709-I747 WeakPolarHBondContact CB-O 3.41Å; R709-S748 PolarHBondContact NE-OG 2.79Å
710L85Confident81.9Confident6 Ų631.8 Ų31.83%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-66.2120169.6177.260.8000109L516 I626 I696 I712 Q746 I747L516-L710 HydrophobicContact CD1-CD2 4.34Å; I626-L710 HydrophobicContact CD1-CD1 3.49Å; I626-L710 VanDerWaalsContact CD1-CD1 3.49Å; I626-L710 HydrophobicContact CG2-CD1 4.44Å; I696-L710 HydrophobicContact CD1-CD2 4.45Å; L710-I712 HydrophobicContact CD2-CD1 4.23Å; L710-I712 HydrophobicContact CG-CD1 4.4Å; L710-I712 HydrophobicContact CG-CG1 4.34Å; L710-Q746 WeakPolarHBondContact O-CA 3.29Å; L710-I747 HydrophobicContact CB-CB 4.34Å; L710-I747 HydrophobicContact CD2-CD1 4.17Å; L710-I747 PolarHBondContact N-O 2.78Å; L710-I747 PolarHBondContact O-N 3.44Å
711K86.2Confident82Confident79 Ų7934.3 Ų34.334%0.34316%0.16SC..EExtended strand (participates in β ladder)trans-101.3126.1179.6-68.4177.4-175177.90109.8N575 R709 L744 L745 Q746N575-K711 PolarHBondContact N-O 3.43Å; N575-K711 PolarHBondContact OD1-N 2.69Å; N575-K711 PolarHBondContact OD1-O 2.88Å; R709-K711 PolarHBondContact O-N 2.79Å; K711-L744 HydrophobicContact CB-CD1 4.09Å; K711-L745 CarbonylContact C-O 3.55Å; K711-L745 WeakPolarHBondContact CA-O 3.5Å; K711-Q746 HydrophobicContact CG-CG 4.42Å
712I88.7Confident82Confident2 Ų239.8 Ų39.81%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-122.8112.6174.9-64.5169.1000107.8L507 L572 K573 F628 I696 L710 V714 L745 I747L507-I712 HydrophobicContact CD2-CD1 3.42Å; L507-I712 VanDerWaalsContact CD2-CD1 3.42Å; L572-I712 HydrophobicContact CD2-CG2 4.33Å; K573-I712 CarbonylContact O-C 3.57Å; K573-I712 WeakPolarHBondContact O-CA 3.42Å; F628-I712 HydrophobicContact CZ-CG2 4.18Å; I696-I712 HydrophobicContact CD1-CD1 3.73Å; L710-I712 HydrophobicContact CD2-CD1 4.23Å; L710-I712 HydrophobicContact CG-CD1 4.4Å; L710-I712 HydrophobicContact CG-CG1 4.34Å; I712-V714 HydrophobicContact CG2-CG2 4.32Å; I712-L745 HydrophobicContact CB-CB 4.41Å; I712-L745 PolarHBondContact N-O 2.83Å; I712-L745 PolarHBondContact O-N 3.23Å; I712-I747 HydrophobicContact CD1-CD1 4.03Å
713G88.8Confident81.9Confident0 Ų036.4 Ų36.40%017%0.174CC..EExtended strand (participates in β ladder)trans-76.3133.6170.800000110.4L572 K573 W580L572-G713 WeakPolarHBondContact CA-O 3.47Å; K573-G713 PolarHBondContact N-O 3.2Å; K573-G713 PolarHBondContact O-N 2.93Å; W580-G713 VanDerWaalsContact CH2-C 3.44Å; W580-G713 VanDerWaalsContact CZ3-CA 3.43Å
714V90.8Very high81.5Confident0 Ų045.4 Ų45.40%021%0.209CC..EExtended strand (participates in β ladder)trans-123.1124.8176.9-171.50000108A505 I570 L572 I712 W716 T742 E743 L745A505-V714 HydrophobicContact CB-CG1 4.13Å; I570-V714 HydrophobicContact CG2-CG1 3.56Å; L572-V714 HydrophobicContact CD2-CB 4.11Å; L572-V714 HydrophobicContact CD2-CG1 3.86Å; L572-V714 HydrophobicContact CD2-CG2 3.59Å; I712-V714 HydrophobicContact CG2-CG2 4.32Å; V714-W716 HydrophobicContact CG1-CE3 4.04Å; V714-W716 HydrophobicContact CG1-CZ3 4.39Å; V714-T742 CarbonylContact O-C 3.58Å; V714-T742 VanDerWaalsContact O-CA 3.31Å; V714-T742 WeakPolarHBondContact O-CA 3.45Å; V714-E743 HydrophobicContact CB-CB 4.46Å; V714-E743 PolarHBondContact N-O 3.03Å; V714-E743 PolarHBondContact O-N 3.23Å; V714-L745 HydrophobicContact CG2-CD1 3.48Å; V714-L745 VanDerWaalsContact CG2-CD1 3.48Å; V714-L745 HydrophobicContact CG2-CG 3.75Å
715K88.9Confident80.7Confident0 Ų049.4 Ų49.40%024%0.235CC..EExtended strand (participates in β ladder)trans-117.3147.8166.9-82.1-178.3-177.6-710110I570 L571 W580 E583 Y644 F645 N741 T742I570-K715 CarbonylContact C-O 3.6Å; I570-K715 WeakPolarHBondContact CA-O 3.32Å; I570-K715 WeakPolarHBondContact CG2-O 3.36Å; L571-K715 HydrophobicContact CB-CB 4.33Å; L571-K715 PolarHBondContact N-O 2.82Å; L571-K715 PolarHBondContact O-N 2.73Å; W580-K715 HydrophobicContact CH2-CB 4.13Å; W580-K715 HydrophobicContact CH2-CD 4.02Å; W580-K715 HydrophobicContact CH2-CG 3.64Å; W580-K715 HydrophobicContact CZ2-CB 4.41Å; W580-K715 HydrophobicContact CZ2-CD 3.93Å; W580-K715 HydrophobicContact CZ2-CG 4.02Å; W580-K715 HydrophobicContact CZ3-CD 4.46Å; W580-K715 HydrophobicContact CZ3-CG 4.1Å; W580-K715 VanDerWaalsContact O-CE 3.23Å; W580-K715 WeakPolarHBondContact O-CE 3.31Å; E583-K715 IonicContact OE2-NZ 3.04Å; E583-K715 PolarHBondContact OE2-NZ 3.48Å; Y644-K715 HydrophobicContact CD1-CB 4.17Å; F645-K715 HydrophobicContact CE1-CD 4.18Å; F645-K715 HydrophobicContact CE2-CD 4.4Å; F645-K715 HydrophobicContact CZ-CD 4.03Å; K715-N741 CarbonylContact C-O 3.49Å; K715-N741 VanDerWaalsContact CA-O 3.22Å; K715-N741 WeakPolarHBondContact CA-O 3.35Å; K715-T742 HydrophobicContact CG-CG2 4.12Å; K715-T742 PolarHBondContact NZ-OG1 2.88Å
716W90.3Very high80.3Confident9 Ų952.8 Ų52.83%0.03425%0.253CS..EExtended strand (participates in β ladder)trans-139.8163.717961.682.3000115.1L503 A505 V568 L569 V714 E740 N741 E743L503-W716 HydrophobicContact CB-CZ2 3.98Å; A505-W716 HydrophobicContact CB-CZ3 4.36Å; V568-W716 HydrophobicContact CG1-CB 3.51Å; V568-W716 HydrophobicContact CG1-CG 4.1Å; L569-W716 CarbonylContact O-C 3.58Å; L569-W716 WeakPolarHBondContact O-CA 3.32Å; V714-W716 HydrophobicContact CG1-CE3 4.04Å; V714-W716 HydrophobicContact CG1-CZ3 4.39Å; W716-E740 WeakPolarHBondContact CZ2-O 3.42Å; W716-N741 VanDerWaalsContact CE2-CA 3.49Å; W716-N741 HydrophobicContact CG-CB 4.48Å; W716-N741 PolarHBondContact N-O 3.35Å; W716-N741 VanDerWaalsContact O-CB 3.32Å; W716-N741 WeakPolarHBondContact O-CB 3.25Å; W716-N741 PolarHBondContact O-ND2 3.09Å; W716-E743 HydrophobicContact CH2-CB 3.9Å; W716-E743 HydrophobicContact CZ3-CB 3.59Å
717I88.6Confident79.7Confident48 Ų4853.2 Ų53.225%0.24626%0.259CS..EExtended strand (participates in β ladder)trans-131.9113168.6-58.4171.4000106.6V568 L569 D643 Y644V568-I717 WeakPolarHBondContact CA-O 3.28Å; L569-I717 PolarHBondContact N-O 3.48Å; L569-I717 PolarHBondContact O-N 3.29Å; D643-I717 HydrophobicContact CB-CD1 3.73Å; Y644-I717 HydrophobicContact CD1-CD1 3.94Å; Y644-I717 HydrophobicContact CD1-CG1 3.89Å; Y644-I717 HydrophobicContact CD2-CD1 4.36Å; Y644-I717 HydrophobicContact CE1-CD1 4.01Å; Y644-I717 HydrophobicContact CE1-CG1 4.04Å; Y644-I717 HydrophobicContact CE2-CD1 4.42Å; Y644-I717 HydrophobicContact CG-CD1 4.14Å; Y644-I717 HydrophobicContact CG-CG1 4.49Å
718A89.2Confident79.5Confident27 Ų2758.3 Ų58.322%0.22329%0.285CS..EExtended strand (participates in β ladder)trans-86.5126.5176.900000110.1L503 V568 M720L503-A718 HydrophobicContact CD1-CB 4.1Å; L503-A718 HydrophobicContact CD2-CB 3.98Å; V568-A718 HydrophobicContact CG2-CB 4.36Å; A718-M720 HydrophobicContact CB-CE 3.92Å; A718-M720 HydrophobicContact CB-CG 4.5Å; A718-M720 HydrophobicContact CB-SD 4.45Å; A718-M720 PolarHBondContact O-N 3.18Å
719K86.3Confident79.6Confident132 Ų13259.1 Ų59.157%0.57429%0.289SS*.  trans-90.288.3172.1-71.9179.6-177.7176.20108.5P567P567-K719 HydrophobicContact CG-CB 4.06Å; P567-K719 PolarHBondContact O-N 3.37Å
720M85.5Confident79.6Confident36 Ų3652.9 Ų52.918%0.17727%0.266CS..PPolyproline II helixtrans-74146.6178-64.6-56.5-170.700111.4V501 L503 Y566 A718 A736V501-M720 HydrophobicContact CG2-CE 3.53Å; L503-M720 HydrophobicContact CD1-CE 3.81Å; Y566-M720 HydrophobicContact CD1-SD 3.58Å; Y566-M720 VanDerWaalsContact CD1-SD 3.58Å; Y566-M720 HydrophobicContact CD2-SD 4.24Å; Y566-M720 HydrophobicContact CE1-SD 3.97Å; Y566-M720 HydrophobicContact CG-SD 3.72Å; A718-M720 HydrophobicContact CB-CE 3.92Å; A718-M720 HydrophobicContact CB-CG 4.5Å; A718-M720 HydrophobicContact CB-SD 4.45Å; A718-M720 PolarHBondContact O-N 3.18Å; M720-A736 HydrophobicContact CE-CB 3.28Å
721T80.2Confident79.5Confident55 Ų5556.5 Ų56.534%0.33729%0.285SS..PPolyproline II helixtrans-68.2131.4175.148.30000110.2R498 Y566R498-T721 PolarHBondContact NH2-O 3.16Å; Y566-T721 HydrophobicContact CE1-CG2 4.45Å
722E72.6Confident79.4Confident115 Ų11557.8 Ų57.854%0.53729%0.293SS..PPolyproline II helixtrans-83143.3174.1-63.6-174.4175.100110.7Y724 Y733E722-Y724 PolarHBondContact O-N 2.85Å; E722-Y733 WeakPolarHBondContact O-CD1 3.35Å; E722-Y733 WeakPolarHBondContact O-CE1 3.41Å
723P68.7Low79.3Confident11 Ų1159.9 Ų59.97%0.07130%0.301CS..PPolyproline II helixtrans-65124.617126.6-31.3000109.9Y733P723-Y733 HydrophobicContact CB-CD2 3.99Å; P723-Y733 HydrophobicContact CB-CE2 4.48Å; P723-Y733 HydrophobicContact CB-CG 4.08Å
724Y62.5Low79.3Confident195 Ų19560.6 Ų60.677%0.76531%0.305SS*.PPolyproline II helixtrans-72.8155.8163.3-155.6-115.8000107.7E722 L726E722-Y724 PolarHBondContact O-N 2.85Å; Y724-L726 PolarHBondContact O-N 3.34Å
725P59.9Low79.2Confident92 Ų9261.3 Ų61.360%0.59731%0.31SS*.SBendtrans-69.315.1-142.733-35.7000116.9A727P725-A727 PolarHBondContact O-N 3.26Å
726L64.8Low79.2Confident94 Ų9462.1 Ų62.149%0.49232%0.316SS..  trans-80.2105.9172.9-75.1168.9000110Y724 D728 Q729Y724-L726 PolarHBondContact O-N 3.34Å; L726-D728 WeakPolarHBondContact CB-OD1 3.45Å; L726-D728 PolarHBondContact O-N 3.22Å; L726-Q729 HydrophobicContact CB-CG 4.43Å; L726-Q729 PolarHBondContact O-N 2.84Å
727A65.5Low78.9Confident22 Ų2262.6 Ų62.618%0.18232%0.319CS..G310 helixtrans-56.6-33.5177.500000112.8L37 R496 P725 Q729L37-A727 HydrophobicContact CD2-CB 4.14Å; R496-A727 PolarHBondContact NH1-O 3.31Å; R496-A727 VanDerWaalsContact NH2-C 3.26Å; R496-A727 PolarHBondContact NH2-O 3Å; P725-A727 PolarHBondContact O-N 3.26Å; A727-Q729 VanDerWaalsContact C-N 3.28Å; A727-Q729 PolarHBondContact O-N 3.22Å
728D70.4Confident78.4Confident122 Ų12262.2 Ų62.265%0.65232%0.32SS*.G310 helixtrans-72.5-12-175.256.8-42.2000115L726L726-D728 WeakPolarHBondContact CB-OD1 3.45Å; L726-D728 PolarHBondContact O-N 3.22Å
729Q77.2Confident77.7Confident62 Ų6262.8 Ų62.829%0.2932%0.316SS..G310 helixtrans-107.214.5-177.5-57.8-167.3-68.400114.2L726 A727 D731 E732 Y733L726-Q729 HydrophobicContact CB-CG 4.43Å; L726-Q729 PolarHBondContact O-N 2.84Å; A727-Q729 VanDerWaalsContact C-N 3.28Å; A727-Q729 PolarHBondContact O-N 3.22Å; Q729-D731 PolarHBondContact O-N 3.28Å; Q729-D731 VanDerWaalsContact O-N 3.09Å; Q729-E732 PolarHBondContact O-N 2.99Å; Q729-Y733 HydrophobicContact CB-CE2 4.29Å; Q729-Y733 VanDerWaalsContact O-CD2 3.27Å; Q729-Y733 WeakPolarHBondContact O-CD2 3.33Å
730I82.6Confident77.4Confident4 Ų461.5 Ų61.52%0.02131%0.312CS..G310 helixtrans-53.9-35.1-172.4-164.7166000113.3D32 R496 R498 E732 Y733D32-I730 HydrophobicContact CB-CD1 3.81Å; R496-I730 HydrophobicContact CB-CD1 3.89Å; R498-I730 HydrophobicContact CG-CD1 3.92Å; R498-I730 HydrophobicContact CG-CG1 3.65Å; I730-E732 VanDerWaalsContact C-N 3.29Å; I730-E732 PolarHBondContact O-N 2.64Å; I730-Y733 PolarHBondContact O-N 3.25Å; I730-Y733 VanDerWaalsContact O-N 3.16Å
731D82.9Confident77.4Confident81 Ų8160.1 Ų60.143%0.43331%0.305SS..G310 helixtrans-67.4-22.6-178.7-65.5-16000114.4N477 P499 Q729 Y733N477-D731 WeakPolarHBondContact CB-OD1 3.38Å; N477-D731 WeakPolarHBondContact CB-OD2 3Å; N477-D731 PolarHBondContact ND2-OD1 2.97Å; P499-D731 HydrophobicContact CG-CB 4.41Å; Q729-D731 PolarHBondContact O-N 3.28Å; Q729-D731 VanDerWaalsContact O-N 3.09Å; D731-Y733 PolarHBondContact O-N 3.16Å
732E82.5Confident77.7Confident107 Ų10759.2 Ų59.250%0.530%0.3SS..G310 helixtrans-75.2-9.1177-63.6-175.6-169.300112.7K564 Q729 I730 P734K564-E732 PolarHBondContact NZ-O 2.9Å; Q729-E732 PolarHBondContact O-N 2.99Å; I730-E732 VanDerWaalsContact C-N 3.29Å; I730-E732 PolarHBondContact O-N 2.64Å; E732-P734 WeakPolarHBondContact O-CD 3.17Å
733Y86.7Confident78.4Confident46 Ų4657.5 Ų57.518%0.1829%0.292CS..SBendtrans-121.174.4-174.6-59.4-93.1000110.3R498 E722 P723 Q729 I730 D731R498-Y733 PolarHBondContact NE-O 3.2Å; R498-Y733 PolarHBondContact NH2-O 3.46Å; E722-Y733 WeakPolarHBondContact O-CD1 3.35Å; E722-Y733 WeakPolarHBondContact O-CE1 3.41Å; P723-Y733 HydrophobicContact CB-CD2 3.99Å; P723-Y733 HydrophobicContact CB-CE2 4.48Å; P723-Y733 HydrophobicContact CB-CG 4.08Å; Q729-Y733 HydrophobicContact CB-CE2 4.29Å; Q729-Y733 VanDerWaalsContact O-CD2 3.27Å; Q729-Y733 WeakPolarHBondContact O-CD2 3.33Å; I730-Y733 PolarHBondContact O-N 3.25Å; I730-Y733 VanDerWaalsContact O-N 3.16Å; D731-Y733 PolarHBondContact O-N 3.16Å
734P88.6Confident79.5Confident15 Ų1559.4 Ų59.410%0.09730%0.301CS..  trans-67162.6175.929.3-36.2000112.3R498 P499 V501 Y566 E732R498-P734 PolarHBondContact NH2-O 2.93Å; R498-P734 VanDerWaalsContact NH2-O 3.15Å; P499-P734 HydrophobicContact CB-CB 4.49Å; P499-P734 CarbonylContact O-C 3.53Å; P499-P734 WeakPolarHBondContact O-CA 3.35Å; P499-P734 WeakPolarHBondContact O-CB 3.47Å; V501-P734 HydrophobicContact CG1-CB 3.73Å; V501-P734 HydrophobicContact CG1-CG 4.04Å; V501-P734 HydrophobicContact CG2-CB 4.28Å; Y566-P734 WeakPolarHBondContact OH-CD 3.38Å; Y566-P734 VanDerWaalsContact OH-CG 3.26Å; Y566-P734 WeakPolarHBondContact OH-CG 3.45Å; E732-P734 WeakPolarHBondContact O-CD 3.17Å
735V89.8Confident80.8Confident15 Ų1550.9 Ų50.99%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-118154.7173.6-65.90000111F29 N30 R498 P499 V500 V501F29-V735 HydrophobicContact CD2-CG2 4.15Å; F29-V735 HydrophobicContact CE2-CG2 3.78Å; N30-V735 HydrophobicContact CB-CG2 3.84Å; R498-V735 HydrophobicContact CB-CG1 4.18Å; R498-V735 HydrophobicContact CB-CG2 4.28Å; P499-V735 PolarHBondContact O-N 3.49Å; V500-V735 CarbonylContact C-O 3.55Å; V500-V735 WeakPolarHBondContact CA-O 3.27Å; V500-V735 HydrophobicContact CG2-CG2 4.37Å; V501-V735 WeakPolarHBondContact CG2-O 3.35Å; V501-V735 PolarHBondContact N-O 3.29Å
736A88.7Confident82.1Confident16 Ų1650.7 Ų50.713%0.13226%0.26CS..EExtended strand (participates in β ladder)trans-104.3147.6166.200000110.3V501 L503 M720 P738V501-A736 HydrophobicContact CG2-CB 4.29Å; V501-A736 WeakPolarHBondContact O-CA 3.5Å; L503-A736 HydrophobicContact CD1-CB 3.2Å; M720-A736 HydrophobicContact CE-CB 3.28Å; A736-P738 WeakPolarHBondContact O-CD 3.5Å; A736-P738 VanDerWaalsContact O-N 3.15Å
737D83.9Confident83.1Confident19 Ų1946.3 Ų46.310%0.10224%0.237CC..  trans-65.4113.6172-170.2-17.1000109F29 R739 E740F29-D737 HydrophobicContact CD2-CB 4.33Å; F29-D737 HydrophobicContact CE1-CB 4.49Å; F29-D737 HydrophobicContact CE2-CB 3.78Å; F29-D737 VanDerWaalsContact CE2-N 3.35Å; F29-D737 HydrophobicContact CZ-CB 3.84Å; D737-R739 PolarHBondContact O-N 3.21Å; D737-R739 VanDerWaalsContact O-N 3.09Å; D737-R739 WeakPolarHBondContact OD1-CA 2.89Å; D737-R739 WeakPolarHBondContact OD1-CB 3.48Å; D737-R739 VanDerWaalsContact OD1-CG 3.3Å; D737-R739 WeakPolarHBondContact OD1-CG 3.32Å; D737-R739 IonicContact OD1-CZ 2.79Å; D737-R739 PolarHBondContact OD1-N 2.89Å; D737-R739 IonicContact OD1-NE 2.73Å; D737-R739 PolarHBondContact OD1-NE 3.31Å; D737-R739 IonicContact OD1-NH2 3.26Å; D737-R739 IonicContact OD2-CZ 3.41Å; D737-R739 VanDerWaalsContact OD2-CZ 3.3Å; D737-R739 IonicContact OD2-NE 3.91Å; D737-R739 PolarHBondContact OD2-NE 2.95Å; D737-R739 IonicContact OD2-NH2 3.82Å; D737-R739 PolarHBondContact OD2-NH2 3.16Å; D737-E740 HydrophobicContact CB-CB 4.26Å; D737-E740 HydrophobicContact CB-CG 4.28Å; D737-E740 PolarHBondContact O-N 2.74Å
738P77.6Confident84Confident40 Ų4046.8 Ų46.826%0.2624%0.239SC..THydrogen-bonded Turntrans-66.1-11.9178.729.2-36.1000112.8K646 A736K646-P738 HydrophobicContact CD-CB 4.16Å; A736-P738 WeakPolarHBondContact O-CD 3.5Å; A736-P738 VanDerWaalsContact O-N 3.15Å
739R74.3Confident84.7Confident40 Ų4041.3 Ų41.315%0.15121%0.21CC..THydrogen-bonded Turntrans-86.9-30.5178.6-55.3173.1-64.6164.1-0.7111.4H435 R647 D737 N741H435-R739 PolarHBondContact CD2-NH2 3.38Å; H435-R739 VanDerWaalsContact CD2-NH2 3.3Å; R647-R739 VanDerWaalsContact NH2-C 3.28Å; R647-R739 PolarHBondContact NH2-O 3.18Å; D737-R739 PolarHBondContact O-N 3.21Å; D737-R739 VanDerWaalsContact O-N 3.09Å; D737-R739 WeakPolarHBondContact OD1-CA 2.89Å; D737-R739 WeakPolarHBondContact OD1-CB 3.48Å; D737-R739 VanDerWaalsContact OD1-CG 3.3Å; D737-R739 WeakPolarHBondContact OD1-CG 3.32Å; D737-R739 IonicContact OD1-CZ 2.79Å; D737-R739 PolarHBondContact OD1-N 2.89Å; D737-R739 IonicContact OD1-NE 2.73Å; D737-R739 PolarHBondContact OD1-NE 3.31Å; D737-R739 IonicContact OD1-NH2 3.26Å; D737-R739 IonicContact OD2-CZ 3.41Å; D737-R739 VanDerWaalsContact OD2-CZ 3.3Å; D737-R739 IonicContact OD2-NE 3.91Å; D737-R739 PolarHBondContact OD2-NE 2.95Å; D737-R739 IonicContact OD2-NH2 3.82Å; D737-R739 PolarHBondContact OD2-NH2 3.16Å; R739-N741 VanDerWaalsContact C-N 3.28Å; R739-N741 PolarHBondContact O-N 3.02Å
740E79.9Confident85Confident104 Ų10443.1 Ų43.149%0.48622%0.221SC..  trans-87.264.8173.3-64.7-157.9161.900110.9W716 D737W716-E740 WeakPolarHBondContact CZ2-O 3.42Å; D737-E740 HydrophobicContact CB-CB 4.26Å; D737-E740 HydrophobicContact CB-CG 4.28Å; D737-E740 PolarHBondContact O-N 2.74Å
741N86.1Confident84.8Confident7 Ų743.6 Ų43.64%0.03722%0.223CC..  trans-119.517.9-170.778.8-24.6000114.7Y644 K715 W716 R739Y644-N741 PolarHBondContact O-ND2 3.2Å; K715-N741 CarbonylContact C-O 3.49Å; K715-N741 VanDerWaalsContact CA-O 3.22Å; K715-N741 WeakPolarHBondContact CA-O 3.35Å; W716-N741 VanDerWaalsContact CE2-CA 3.49Å; W716-N741 HydrophobicContact CG-CB 4.48Å; W716-N741 PolarHBondContact N-O 3.35Å; W716-N741 VanDerWaalsContact O-CB 3.32Å; W716-N741 WeakPolarHBondContact O-CB 3.25Å; W716-N741 PolarHBondContact O-ND2 3.09Å; R739-N741 VanDerWaalsContact C-N 3.28Å; R739-N741 PolarHBondContact O-N 3.02Å
742T86.3Confident84.3Confident36 Ų3643.1 Ų43.122%0.22123%0.225CC..EExtended strand (participates in β ladder)trans-131.7135.2-171.9-54.10000111.1W580 V714 K715W580-T742 HydrophobicContact CZ3-CG2 4.34Å; V714-T742 CarbonylContact O-C 3.58Å; V714-T742 VanDerWaalsContact O-CA 3.31Å; V714-T742 WeakPolarHBondContact O-CA 3.45Å; K715-T742 HydrophobicContact CG-CG2 4.12Å; K715-T742 PolarHBondContact NZ-OG1 2.88Å
743E88.6Confident83.9Confident80 Ų8038.9 Ų38.937%0.37421%0.207SC..EExtended strand (participates in β ladder)trans-137.1143.7175-165.568.9-140.200110.3A505 V714 W716 L745A505-E743 HydrophobicContact CB-CB 4.43Å; V714-E743 HydrophobicContact CB-CB 4.46Å; V714-E743 PolarHBondContact N-O 3.03Å; V714-E743 PolarHBondContact O-N 3.23Å; W716-E743 HydrophobicContact CH2-CB 3.9Å; W716-E743 HydrophobicContact CZ3-CB 3.59Å; E743-L745 HydrophobicContact CG-CD2 3.68Å
744L90.1Very high83Confident50 Ų5039 Ų3926%0.26222%0.217SC..EExtended strand (participates in β ladder)trans-108.2103.6173.8-177.568.8000110.1P576 I581 K711P576-L744 HydrophobicContact CG-CD1 3.95Å; I581-L744 HydrophobicContact CD1-CD1 3.91Å; I581-L744 HydrophobicContact CD1-CD2 4.05Å; I581-L744 HydrophobicContact CG1-CD1 4.29Å; K711-L744 HydrophobicContact CB-CD1 4.09Å
745L89.8Confident82.1Confident17 Ų1746.2 Ų46.29%0.08925%0.253CS..EExtended strand (participates in β ladder)trans-85.2133.3178.6-53-176.3000110.1A505 L507 L548 K711 I712 V714 E743A505-L745 HydrophobicContact CB-CD1 4.4Å; A505-L745 VanDerWaalsContact O-CD2 3.27Å; A505-L745 WeakPolarHBondContact O-CD2 3.33Å; L507-L745 HydrophobicContact CB-CB 4.46Å; L507-L745 HydrophobicContact CB-CD1 3.64Å; L507-L745 HydrophobicContact CD2-CD1 4.41Å; L548-L745 HydrophobicContact CD1-CD1 3.9Å; K711-L745 CarbonylContact C-O 3.55Å; K711-L745 WeakPolarHBondContact CA-O 3.5Å; I712-L745 HydrophobicContact CB-CB 4.41Å; I712-L745 PolarHBondContact N-O 2.83Å; I712-L745 PolarHBondContact O-N 3.23Å; V714-L745 HydrophobicContact CG2-CD1 3.48Å; V714-L745 VanDerWaalsContact CG2-CD1 3.48Å; V714-L745 HydrophobicContact CG2-CG 3.75Å; E743-L745 HydrophobicContact CG-CD2 3.68Å
746Q87.1Confident81.4Confident87 Ų8751.4 Ų51.441%0.40727%0.271SS..EExtended strand (participates in β ladder)trans-123.1130.2-179.5-63.2-172.4-3.700111R709 L710 K711R709-Q746 HydrophobicContact CB-CB 4.44Å; R709-Q746 VanDerWaalsContact NH1-OE1 3.07Å; L710-Q746 WeakPolarHBondContact O-CA 3.29Å; K711-Q746 HydrophobicContact CG-CG 4.42Å
747I86.4Confident80.7Confident2 Ų253.3 Ų53.31%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-120.2134.6177-58154.8000108.6L507 T514 L516 M546 R709 L710 I712L507-I747 HydrophobicContact CD2-CD1 3.56Å; L507-I747 HydrophobicContact CD2-CG1 4.42Å; L507-I747 HydrophobicContact CG-CD1 4.13Å; T514-I747 WeakPolarHBondContact O-CG2 3.47Å; L516-I747 HydrophobicContact CD1-CB 4.48Å; L516-I747 HydrophobicContact CD1-CG2 3.64Å; L516-I747 HydrophobicContact CG-CG2 3.6Å; M546-I747 HydrophobicContact CE-CD1 3.5Å; M546-I747 VanDerWaalsContact CE-CD1 3.5Å; M546-I747 HydrophobicContact CE-CG1 4.24Å; M546-I747 HydrophobicContact SD-CD1 3.78Å; R709-I747 CarbonylContact C-O 3.53Å; R709-I747 VanDerWaalsContact CA-O 3.31Å; R709-I747 WeakPolarHBondContact CA-O 3.3Å; R709-I747 WeakPolarHBondContact CB-O 3.41Å; L710-I747 HydrophobicContact CB-CB 4.34Å; L710-I747 HydrophobicContact CD2-CD1 4.17Å; L710-I747 PolarHBondContact N-O 2.78Å; L710-I747 PolarHBondContact O-N 3.44Å; I712-I747 HydrophobicContact CD1-CD1 4.03Å
748S84.4Confident80.4Confident33 Ų3352.6 Ų52.623%0.23127%0.274CS..EExtended strand (participates in β ladder)trans-101.8145.6179.6-55.60000110.9I515 L516 R709I515-S748 WeakPolarHBondContact CA-O 3.25Å; L516-S748 PolarHBondContact N-O 3.38Å; R709-S748 PolarHBondContact NE-OG 2.79Å
749F85.5Confident80.6Confident7 Ų752.1 Ų52.13%0.03127%0.271CS..EExtended strand (participates in β ladder)trans-82.3144.5168.5-61.5-85.1000110.3L516 L520 Q706 E708 H751L516-F749 HydrophobicContact CB-CD1 3.62Å; L516-F749 HydrophobicContact CB-CE1 4Å; L516-F749 HydrophobicContact CB-CG 4.37Å; L516-F749 HydrophobicContact CD1-CD1 3.93Å; L516-F749 HydrophobicContact CD1-CE1 3.48Å; L516-F749 VanDerWaalsContact CD1-CE1 3.48Å; L516-F749 HydrophobicContact CD1-CZ 3.88Å; L516-F749 HydrophobicContact CG-CD1 4.43Å; L516-F749 HydrophobicContact CG-CE1 4.37Å; L520-F749 HydrophobicContact CD2-CE1 4.05Å; Q706-F749 HydrophobicContact CB-CB 4.47Å; Q706-F749 HydrophobicContact CB-CD2 4.22Å; Q706-F749 HydrophobicContact CB-CG 4.16Å; Q706-F749 HydrophobicContact CG-CD1 4.21Å; Q706-F749 HydrophobicContact CG-CE1 4.33Å; Q706-F749 HydrophobicContact CG-CG 4.34Å; E708-F749 WeakPolarHBondContact O-CD2 3.36Å; E708-F749 WeakPolarHBondContact O-CE2 3.39Å; F749-H751 VanDerWaalsContact C-N 3.32Å; F749-H751 PolarHBondContact O-N 3.46Å
750D83.5Confident81.1Confident100 Ų10050.5 Ų50.554%0.53527%0.266SS..SBendtrans-69.486173.6-177.622000109.8I515 L516 S518I515-D750 HydrophobicContact CG2-CB 3.68Å; L516-D750 VanDerWaalsContact O-CB 3.31Å; L516-D750 WeakPolarHBondContact O-CB 3.25Å; L516-D750 PolarHBondContact O-N 3Å; S518-D750 WeakPolarHBondContact CA-O 3.32Å; S518-D750 WeakPolarHBondContact CB-O 3.3Å
751H77.4Confident81.4Confident13 Ų1346.7 Ų46.76%0.0625%0.25CC..SBendtrans-150.3139-171.8-175.7-18.4000111.4F749 C753 A754 Y804F749-H751 VanDerWaalsContact C-N 3.32Å; F749-H751 PolarHBondContact O-N 3.46Å; H751-C753 PolarHBondContact CE1-N 2.92Å; H751-C753 PolarHBondContact CE1-SG 3.3Å; H751-C753 PolarHBondContact ND1-N 2.87Å; H751-C753 PolarHBondContact O-N 3.37Å; H751-C753 VanDerWaalsContact O-N 3.13Å; H751-A754 WeakPolarHBondContact O-CB 3.46Å; H751-A754 PolarHBondContact O-N 3Å; H751-Y804 AromaticContact CD2-CE1 3.88Å; H751-Y804 AromaticContact CD2-CZ 3.67Å; H751-Y804 AromaticContact CE1-CE2 3.47Å; H751-Y804 VanDerWaalsContact CE1-CE2 3.47Å; H751-Y804 WeakPolarHBondContact CE1-CE2 3.3Å; H751-Y804 AromaticContact CE1-CZ 3.22Å; H751-Y804 PolarHBondContact CE1-OH 2.77Å; H751-Y804 AromaticContact NE2-CD2 3.74Å; H751-Y804 AromaticContact NE2-CE1 3.45Å; H751-Y804 WeakPolarHBondContact NE2-CE1 3.19Å; H751-Y804 AromaticContact NE2-CE2 2.96Å; H751-Y804 WeakPolarHBondContact NE2-CE2 3.41Å; H751-Y804 AromaticContact NE2-CZ 2.8Å; H751-Y804 PolarHBondContact NE2-OH 2.87Å
752P74.1Confident81.5Confident72 Ų7246.3 Ų46.347%0.46825%0.248SC..G310 helixtrans-43.1-44170.6-28.123.7000115.5A754 I755 R756P752-A754 PolarHBondContact O-N 3.29Å; P752-I755 PolarHBondContact O-N 2.82Å; P752-I755 VanDerWaalsContact O-N 3.09Å; P752-R756 WeakPolarHBondContact O-CG 3.37Å; P752-R756 PolarHBondContact O-N 3.4Å
753C74.1Confident81.7Confident17 Ų1750 Ų5012%0.11526%0.258CS..G310 helixtrans-72-9.5-177.1-55.40000113.6H751 I755 R756 C758H751-C753 PolarHBondContact CE1-N 2.92Å; H751-C753 PolarHBondContact CE1-SG 3.3Å; H751-C753 PolarHBondContact ND1-N 2.87Å; H751-C753 PolarHBondContact O-N 3.37Å; H751-C753 VanDerWaalsContact O-N 3.13Å; C753-I755 VanDerWaalsContact C-N 3.29Å; C753-R756 CarbonylContact C-O 3.53Å; C753-R756 VanDerWaalsContact CA-O 3.26Å; C753-R756 WeakPolarHBondContact CA-O 3.29Å; C753-R756 VanDerWaalsContact O-O 3.06Å; C753-C758 WeakPolarHBondContact CA-SG 3.5Å; C753-C758 HydrophobicContact CB-CB 3.99Å; C753-C758 WeakPolarHBondContact CB-SG 2.94Å; C753-C758 WeakPolarHBondContact SG-CB 3.21Å; C753-C758 CovalentContact SG-SG 2.02Å; C753-C758 PolarHBondContact SG-SG 2.92Å
754A67.8Low81.8Confident49 Ų4946.7 Ų46.741%0.40524%0.243SC..G310 helixtrans-73.3-24170.600000112.3H751 P752H751-A754 WeakPolarHBondContact O-CB 3.46Å; H751-A754 PolarHBondContact O-N 3Å; P752-A754 PolarHBondContact O-N 3.29Å
755I68Low81.9Confident166 Ų16647 Ų4785%0.85125%0.249SC*.THydrogen-bonded Turntrans-107.9-34.2-177.6-53.2170.9000111.3P752 C753P752-I755 PolarHBondContact O-N 2.82Å; P752-I755 VanDerWaalsContact O-N 3.09Å; C753-I755 VanDerWaalsContact C-N 3.29Å
756R75.5Confident82.1Confident125 Ų12548.7 Ų48.747%0.47226%0.255SS..SBendtrans-120.3156179.475.6177.6179.288.1-3.3112.9P752 C753 D801P752-R756 WeakPolarHBondContact O-CG 3.37Å; P752-R756 PolarHBondContact O-N 3.4Å; C753-R756 CarbonylContact C-O 3.53Å; C753-R756 VanDerWaalsContact CA-O 3.26Å; C753-R756 WeakPolarHBondContact CA-O 3.29Å; C753-R756 VanDerWaalsContact O-O 3.06Å; R756-D801 IonicContact CZ-OD1 2.82Å; R756-D801 VanDerWaalsContact CZ-OD1 3.23Å; R756-D801 IonicContact NH1-OD1 2.78Å; R756-D801 PolarHBondContact NH1-OD1 2.92Å; R756-D801 IonicContact NH1-OD2 2.78Å; R756-D801 IonicContact NH2-OD1 3.3Å; R756-D801 PolarHBondContact NH2-OD1 2.82Å
757Q73.5Confident82.4Confident55 Ų5548.9 Ų48.926%0.25726%0.258SS..  trans-71.9135.6169.9-156.2171.29.500110.5N880Q757-N880 VanDerWaalsContact CG-CG 3.5Å; Q757-N880 WeakPolarHBondContact CG-OD1 3.38Å; Q757-N880 PolarHBondContact NE2-OD1 3.47Å
758C78.9Confident82.7Confident4 Ų450.4 Ų50.43%0.02727%0.268CS..  trans-119.8133.1-179.9-67.30000109.8C753 P760 D801 N880C753-C758 WeakPolarHBondContact CA-SG 3.5Å; C753-C758 HydrophobicContact CB-CB 3.99Å; C753-C758 WeakPolarHBondContact CB-SG 2.94Å; C753-C758 WeakPolarHBondContact SG-CB 3.21Å; C753-C758 CovalentContact SG-SG 2.02Å; C753-C758 PolarHBondContact SG-SG 2.92Å; C758-P760 VanDerWaalsContact O-CD 3.29Å; C758-P760 WeakPolarHBondContact O-CD 3.31Å; C758-D801 WeakPolarHBondContact CA-OD2 3.24Å; C758-D801 HydrophobicContact CB-CB 4.15Å; C758-N880 PolarHBondContact N-ND2 3.31Å; C758-N880 VanDerWaalsContact N-ND2 3.11Å; C758-N880 WeakPolarHBondContact O-CB 3.4Å; C758-N880 VanDerWaalsContact O-CG 3.23Å; C758-N880 PolarHBondContact O-ND2 3.25Å
759C82.1Confident83.1Confident31 Ų3154.4 Ų54.421%0.20928%0.281CS..  trans-118.778-173.6-46.70000110.3C600 Y602 D801C600-C759 WeakPolarHBondContact CA-SG 3.42Å; C600-C759 HydrophobicContact CB-CB 3.68Å; C600-C759 WeakPolarHBondContact CB-SG 3.06Å; C600-C759 WeakPolarHBondContact SG-CB 3.38Å; C600-C759 CovalentContact SG-SG 2.03Å; C600-C759 PolarHBondContact SG-SG 3.36Å; Y602-C759 HydrophobicContact CE1-CB 4.42Å; C759-D801 PolarHBondContact N-OD2 2.95Å
760P83.4Confident83.3Confident5 Ų555.1 Ų55.13%0.03229%0.286CS..  trans-67.7143.2-178.127.8-34.2000112.3C758 V803 I882 Q883C758-P760 VanDerWaalsContact O-CD 3.29Å; C758-P760 WeakPolarHBondContact O-CD 3.31Å; P760-V803 HydrophobicContact CB-CG2 3.93Å; P760-I882 HydrophobicContact CB-CG2 4.49Å; P760-I882 HydrophobicContact CG-CB 4.41Å; P760-I882 HydrophobicContact CG-CD1 4.46Å; P760-I882 HydrophobicContact CG-CG1 3.94Å; P760-I882 HydrophobicContact CG-CG2 4.17Å; P760-Q883 PolarHBondContact O-N 3.13Å; P760-Q883 VanDerWaalsContact O-N 3.14Å
761T86.7Confident83.5Confident24 Ų2453.3 Ų53.315%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-128.8125.5176.4-51.20000109.9N797 I798 G799 Q883T761-N797 PolarHBondContact O-OD1 3.05Å; T761-N797 VanDerWaalsContact O-OD1 3.1Å; T761-I798 HydrophobicContact CG2-CD1 3.69Å; T761-I798 HydrophobicContact CG2-CG1 3.54Å; T761-I798 WeakPolarHBondContact O-CG1 3.4Å; T761-I798 PolarHBondContact O-N 3.47Å; T761-G799 PolarHBondContact O-N 3.46Å; T761-G799 VanDerWaalsContact O-N 3.16Å; T761-Q883 WeakPolarHBondContact CA-O 3.29Å; T761-Q883 HydrophobicContact CG2-CB 3.91Å; T761-Q883 HydrophobicContact CG2-CG 4.02Å
762I88.8Confident84Confident0 Ų060.3 Ų60.30%030%0.304CS..EExtended strand (participates in β ladder)trans-129.1155.2-176.162.7161.7000112.9V764 V795 T796 V803 I876 I882 Q883 V884 E885I762-V764 HydrophobicContact CD1-CG2 3.95Å; I762-V795 HydrophobicContact CB-CG1 4.46Å; I762-V795 HydrophobicContact CD1-CG1 4.4Å; I762-T796 CarbonylContact C-O 3.4Å; I762-T796 VanDerWaalsContact CA-O 3.32Å; I762-T796 WeakPolarHBondContact CA-O 3.32Å; I762-V803 HydrophobicContact CG2-CG1 4.21Å; I762-V803 HydrophobicContact CG2-CG2 3.65Å; I762-I876 HydrophobicContact CD1-CD1 3.21Å; I762-I876 HydrophobicContact CD1-CG1 4.2Å; I762-I882 HydrophobicContact CG1-CG2 4.24Å; I762-Q883 PolarHBondContact N-O 2.93Å; I762-V884 HydrophobicContact CD1-CG2 4.14Å; I762-V884 HydrophobicContact CG1-CB 4.48Å; I762-V884 HydrophobicContact CG1-CG1 4.45Å; I762-V884 HydrophobicContact CG1-CG2 3.99Å; I762-E885 PolarHBondContact O-N 3.02Å
763R90.2Very high84.5Confident114 Ų11458.6 Ų58.643%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-115.7132169.1-177.6-177.2-64.9162.3-1.7110.7V795 T796 I798 E885R763-V795 WeakPolarHBondContact O-CA 3.02Å; R763-T796 PolarHBondContact N-O 3.39Å; R763-T796 PolarHBondContact O-N 3.5Å; R763-I798 HydrophobicContact CB-CD1 4.35Å; R763-I798 HydrophobicContact CB-CG2 4.36Å; R763-E885 WeakPolarHBondContact CA-O 3.37Å; R763-E885 HydrophobicContact CB-CB 4.28Å; R763-E885 HydrophobicContact CG-CB 4.34Å; R763-E885 IonicContact CZ-OE1 3.52Å; R763-E885 IonicContact CZ-OE2 3.88Å; R763-E885 VanDerWaalsContact CZ-OE2 3.22Å; R763-E885 IonicContact NE-OE1 2.7Å; R763-E885 IonicContact NE-OE2 3.69Å; R763-E885 PolarHBondContact NE-OE2 3.05Å; R763-E885 IonicContact NH2-OE1 3.57Å; R763-E885 PolarHBondContact NH2-OE1 3.24Å; R763-E885 IonicContact NH2-OE2 3.22Å; R763-E885 PolarHBondContact NH2-OE2 3.19Å
764V91.7Very high84.8Confident10 Ų1067.8 Ų67.86%0.06133%0.329CS..EExtended strand (participates in β ladder)trans-119131.2179.7-177.80000110.7I762 Y766 V793 V795 V874 V884 E885 Q887 L888I762-V764 HydrophobicContact CD1-CG2 3.95Å; V764-Y766 HydrophobicContact CG1-CD2 4.35Å; V764-Y766 HydrophobicContact CG1-CE2 3.89Å; V764-V793 HydrophobicContact CG1-CG1 4.24Å; V764-V795 HydrophobicContact CG2-CG2 4.33Å; V764-V874 HydrophobicContact CG1-CG2 3.93Å; V764-V884 HydrophobicContact CG2-CG1 4.33Å; V764-E885 PolarHBondContact N-O 2.62Å; V764-Q887 WeakPolarHBondContact CG1-O 3.31Å; V764-L888 HydrophobicContact CG2-CD2 3.8Å
765S91.6Very high85.4Confident57 Ų5771.3 Ų71.340%0.39934%0.341SS..EExtended strand (participates in β ladder)trans-134.8133177.256.80000111.6V793 R794S765-V793 WeakPolarHBondContact O-CA 3.3Å; S765-R794 PolarHBondContact N-O 2.77Å; S765-R794 PolarHBondContact O-N 2.79Å; S765-R794 PolarHBondContact OG-O 3.36Å
766Y93.5Very high86.3Confident51 Ų5164.3 Ų64.320%0.231%0.311CS..EExtended strand (participates in β ladder)trans-106.8142.3177.6-72.6-90.2000111V764 L791 S792 V793 L808 S872 Q887 L888 N890V764-Y766 HydrophobicContact CG1-CD2 4.35Å; V764-Y766 HydrophobicContact CG1-CE2 3.89Å; Y766-L791 HydrophobicContact CD1-CD1 3.95Å; Y766-S792 CarbonylContact C-O 3.55Å; Y766-V793 HydrophobicContact CD1-CG2 3.22Å; Y766-V793 HydrophobicContact CE1-CG2 3.23Å; Y766-V793 HydrophobicContact CG-CG2 4.08Å; Y766-L808 HydrophobicContact CE1-CD1 4.17Å; Y766-S872 PolarHBondContact OH-O 3.5Å; Y766-Q887 WeakPolarHBondContact CE2-O 3.47Å; Y766-L888 VanDerWaalsContact OH-C 3.27Å; Y766-L888 PolarHBondContact OH-O 3.23Å; Y766-N890 HydrophobicContact CD1-CB 3.6Å; Y766-N890 HydrophobicContact CD2-CB 4Å; Y766-N890 HydrophobicContact CE1-CB 3.6Å; Y766-N890 HydrophobicContact CE2-CB 4.01Å; Y766-N890 HydrophobicContact CG-CB 3.81Å
767N93.4Very high87Confident91 Ų9159.3 Ų59.349%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-132.3123.8172.4-175.415.1000110.1L791 S792N767-L791 WeakPolarHBondContact O-CA 3.41Å; N767-S792 PolarHBondContact N-O 3.41Å; N767-S792 PolarHBondContact O-N 2.86Å
768V92.9Very high87.7Confident34 Ų3456.7 Ų56.721%0.20628%0.282CS..EExtended strand (participates in β ladder)trans-119125.1-175-178.10000110.9V770 E790 L791 L892V768-V770 HydrophobicContact CG1-CG1 4.19Å; V768-E790 CarbonylContact C-O 3.52Å; V768-E790 WeakPolarHBondContact CA-O 3.37Å; V768-L791 HydrophobicContact CG2-CD1 3.57Å; V768-L892 HydrophobicContact CG1-CD1 4.03Å; V768-L892 HydrophobicContact CG1-CD2 3.75Å; V768-L892 HydrophobicContact CG1-CG 4.48Å
769K91.7Very high88.2Confident117 Ų11756.6 Ų56.651%0.50928%0.281SS..EExtended strand (participates in β ladder)trans-111.6120.1168.7-50.4-171.1-157.4139.40110.8E790K769-E790 HydrophobicContact CB-CB 4.15Å; K769-E790 WeakPolarHBondContact CD-OE2 3.5Å; K769-E790 WeakPolarHBondContact CE-OE2 3.41Å; K769-E790 PolarHBondContact N-O 2.8Å; K769-E790 IonicContact NZ-OE2 2.66Å; K769-E790 PolarHBondContact NZ-OE2 2.98Å; K769-E790 PolarHBondContact O-N 3.26Å
770V91.3Very high88.2Confident23 Ų2357.8 Ų57.814%0.13928%0.282CS..  trans-154.1150.4-179.162.40000110.1V768 R772 P777 I789 L892V768-V770 HydrophobicContact CG1-CG1 4.19Å; V770-R772 HydrophobicContact CG1-CG 4.45Å; V770-P777 HydrophobicContact CG1-CB 3.84Å; V770-P777 HydrophobicContact CG1-CG 4.14Å; V770-P777 HydrophobicContact CG2-CB 4.23Å; V770-I789 HydrophobicContact CG2-CD1 4.45Å; V770-I789 HydrophobicContact CG2-CG1 4.08Å; V770-L892 HydrophobicContact CG1-CD1 4.49Å
771T87.8Confident87.9Confident61 Ų6157.6 Ų57.637%0.37428%0.28SS..  trans-62.3138.4173.4-17.50000111P777 V778T771-P777 WeakPolarHBondContact O-CA 3.18Å; T771-V778 WeakPolarHBondContact CB-O 3.29Å; T771-V778 PolarHBondContact O-N 3.42Å
772R87.9Confident87.1Confident160 Ų16057.2 Ų57.260%0.60428%0.282SS*.EExtended strand (participates in β ladder)trans-132.4143.4-176.4-65177.8-178.9-117.21.1111.9V770 G776V770-R772 HydrophobicContact CG1-CG 4.45Å; R772-G776 CarbonylContact C-O 3.29Å; R772-G776 VanDerWaalsContact CA-O 3.3Å; R772-G776 WeakPolarHBondContact CA-O 3.31Å
773D83.3Confident86.3Confident36 Ų3659.4 Ų59.419%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-115.7-168.1168.974.70.8000111.6N775 G776 V778 K897D773-N775 PolarHBondContact O-N 3.33Å; D773-N775 VanDerWaalsContact O-N 3.16Å; D773-N775 WeakPolarHBondContact OD1-CA 3.41Å; D773-N775 WeakPolarHBondContact OD1-CB 3.33Å; D773-N775 PolarHBondContact OD1-N 3.44Å; D773-G776 PolarHBondContact N-O 3.29Å; D773-G776 PolarHBondContact O-N 2.78Å; D773-G776 PolarHBondContact OD1-N 2.66Å; D773-G776 VanDerWaalsContact OD1-N 3.15Å; D773-V778 HydrophobicContact CB-CG1 3.88Å; D773-K897 WeakPolarHBondContact OD2-CE 3.38Å; D773-K897 IonicContact OD2-NZ 3.25Å; D773-K897 PolarHBondContact OD2-NZ 2.69Å
774K81.1Confident85.1Confident210 Ų21060 Ų6091%0.91331%0.305SS*.THydrogen-bonded Turntrans-58.5-23.7177.1-64.8-177.2-178.5178.20113.7
775N80Confident84.2Confident123 Ų12364.8 Ų64.866%0.65833%0.33SS*.THydrogen-bonded Turntrans-104.84.9-175.6-64-4000112.7D773 N895D773-N775 PolarHBondContact O-N 3.33Å; D773-N775 VanDerWaalsContact O-N 3.16Å; D773-N775 WeakPolarHBondContact OD1-CA 3.41Å; D773-N775 WeakPolarHBondContact OD1-CB 3.33Å; D773-N775 PolarHBondContact OD1-N 3.44Å; N775-N895 PolarHBondContact O-ND2 3.19Å
776G86.8Confident83.3Confident20 Ų2069.9 Ų69.921%0.20635%0.353CS..EExtended strand (participates in β ladder)trans114.1-158.2176.700000114R772 D773 V778R772-G776 CarbonylContact C-O 3.29Å; R772-G776 VanDerWaalsContact CA-O 3.3Å; R772-G776 WeakPolarHBondContact CA-O 3.31Å; D773-G776 PolarHBondContact N-O 3.29Å; D773-G776 PolarHBondContact O-N 2.78Å; D773-G776 PolarHBondContact OD1-N 2.66Å; D773-G776 VanDerWaalsContact OD1-N 3.15Å; G776-V778 PolarHBondContact O-N 3.29Å
777P91.2Very high82.9Confident20 Ų2068.4 Ų68.413%0.1335%0.348CS..EExtended strand (participates in β ladder)trans-57.3132.5177-23.935000112.1V770 T771 L892 V894 N895V770-P777 HydrophobicContact CG1-CB 3.84Å; V770-P777 HydrophobicContact CG1-CG 4.14Å; V770-P777 HydrophobicContact CG2-CB 4.23Å; T771-P777 WeakPolarHBondContact O-CA 3.18Å; P777-L892 HydrophobicContact CG-CD1 4.18Å; P777-V894 HydrophobicContact CB-CG1 4.5Å; P777-V894 HydrophobicContact CB-CG2 4.28Å; P777-N895 PolarHBondContact O-N 2.78Å
778V88.2Confident82.7Confident0 Ų066.5 Ų66.50%034%0.34CS..EExtended strand (participates in β ladder)trans-142.2145.4-175.968.80000111.6T771 D773 G776 Y780 N895 K897T771-V778 WeakPolarHBondContact CB-O 3.29Å; T771-V778 PolarHBondContact O-N 3.42Å; D773-V778 HydrophobicContact CB-CG1 3.88Å; G776-V778 PolarHBondContact O-N 3.29Å; V778-Y780 HydrophobicContact CG1-CE2 3.81Å; V778-N895 CarbonylContact C-O 3.49Å; V778-N895 WeakPolarHBondContact CA-O 3.2Å; V778-N895 HydrophobicContact CG2-CB 4.34Å; V778-K897 HydrophobicContact CG2-CB 4.31Å; V778-K897 HydrophobicContact CG2-CD 4.05Å; V778-K897 HydrophobicContact CG2-CG 3.99Å
779V88Confident82.7Confident1 Ų165 Ų651%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-119.6128.6170.2166.60000109.2V856 F868 V894 N895 K897V779-V856 HydrophobicContact CG1-CB 4.35Å; V779-V856 HydrophobicContact CG1-CG1 3.45Å; V779-V856 VanDerWaalsContact CG1-CG1 3.45Å; V779-V856 HydrophobicContact CG1-CG2 3.99Å; V779-V856 HydrophobicContact CG2-CG2 4.01Å; V779-F868 HydrophobicContact CB-CE1 4.45Å; V779-F868 HydrophobicContact CG2-CE1 4.32Å; V779-F868 HydrophobicContact CG2-CZ 4.19Å; V779-V894 HydrophobicContact CB-CG1 4.25Å; V779-V894 HydrophobicContact CG2-CG1 3.68Å; V779-N895 PolarHBondContact N-O 3.24Å; V779-K897 PolarHBondContact O-N 3.26Å
780Y82.7Confident82.7Confident56 Ų5660.5 Ų60.522%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-92.9118.3175.7-62.9-83.6000110.3V778 Q787 K897 I899V778-Y780 HydrophobicContact CG1-CE2 3.81Å; Y780-Q787 PolarHBondContact O-NE2 3Å; Y780-K897 CarbonylContact C-O 3.57Å; Y780-K897 WeakPolarHBondContact CA-O 3.38Å; Y780-K897 HydrophobicContact CD1-CB 4.02Å; Y780-K897 HydrophobicContact CE1-CB 4.21Å; Y780-K897 HydrophobicContact CE1-CD 4.18Å; Y780-I899 HydrophobicContact CD1-CD1 4.25Å; Y780-I899 HydrophobicContact CD1-CG1 4.1Å; Y780-I899 HydrophobicContact CG-CD1 4.48Å
781V77.8Confident82.9Confident1 Ų159.6 Ų59.61%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-92.1128.6175.9177.30000109L816 G858 L861 I896 K897V781-L816 HydrophobicContact CG2-CD1 4.38Å; V781-G858 VanDerWaalsContact CG1-O 3.32Å; V781-G858 WeakPolarHBondContact CG1-O 3.32Å; V781-L861 HydrophobicContact CB-CD1 4.16Å; V781-L861 HydrophobicContact CG1-CD1 3.96Å; V781-L861 HydrophobicContact CG1-CG 3.93Å; V781-L861 HydrophobicContact CG2-CD1 3.81Å; V781-L861 HydrophobicContact CG2-CG 4.26Å; V781-I896 HydrophobicContact CG2-CG2 3.96Å; V781-K897 PolarHBondContact N-O 2.7Å
782G69.6Low83Confident17 Ų1757.4 Ų57.418%0.17529%0.293CS..THydrogen-bonded Turntrans82.414.2-17200000114.8G858 R947G782-G858 PolarHBondContact N-O 3.37Å; G782-G858 VanDerWaalsContact N-O 3.16Å; G782-R947 PolarHBondContact O-NH2 3.3Å
783D71.2Confident83.3Confident46 Ų4649.8 Ų49.825%0.24626%0.264CS..  trans-80.2135160.2-171.48.7000108.8N785 I899D783-N785 PolarHBondContact O-N 3.23Å; D783-N785 PolarHBondContact OD1-N 3.41Å; D783-N785 PolarHBondContact OD1-ND2 3.25Å; D783-N785 PolarHBondContact OD2-ND2 3.37Å; D783-I899 HydrophobicContact CB-CD1 4.1Å
784D66Low83.7Confident127 Ų12753.1 Ų53.168%0.67927%0.274SS*.SBendtrans-79.9-4.6-178.5-61.6-33.4000111.7
785N71.7Confident84.2Confident110 Ų11043.1 Ų43.159%0.58823%0.231SC*.SBendtrans-86.7137.9178.4-61.4-51.6000112.6D783 Q787D783-N785 PolarHBondContact O-N 3.23Å; D783-N785 PolarHBondContact OD1-N 3.41Å; D783-N785 PolarHBondContact OD1-ND2 3.25Å; D783-N785 PolarHBondContact OD2-ND2 3.37Å; N785-Q787 PolarHBondContact O-N 3.38Å; N785-Q787 VanDerWaalsContact O-N 3.14Å
786N73.6Confident84.7Confident163 Ų16338.6 Ų38.687%0.87221%0.207SC*.  trans-66.4110.9174.5-70.9-4.1000111
787Q85.4Confident84.8Confident20 Ų2037.7 Ų37.79%0.09320%0.198CC..  trans-98143.3173.7-71.416869.800110.5Y780 N785 V856Y780-Q787 PolarHBondContact O-NE2 3Å; N785-Q787 PolarHBondContact O-N 3.38Å; N785-Q787 VanDerWaalsContact O-N 3.14Å; Q787-V856 HydrophobicContact CB-CB 4.1Å; Q787-V856 HydrophobicContact CB-CG2 3.82Å; Q787-V856 PolarHBondContact O-N 3.19Å
788T89.6Confident84.7Confident52 Ų5239.8 Ų39.832%0.31921%0.207SC..EExtended strand (participates in β ladder)trans-135.1154.2179.163.90000111.9W854 L855T788-W854 CarbonylContact C-O 3.51Å; T788-W854 WeakPolarHBondContact CA-O 3.45Å; T788-W854 WeakPolarHBondContact CB-O 3.29Å; T788-L855 HydrophobicContact CG2-CD2 3.66Å
789I92.1Very high84.6Confident1 Ų140.1 Ų40.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-119.5122.2171-56.8-179.6000106.8V770 L817 R853 W854 F868 L892 V894V770-I789 HydrophobicContact CG2-CD1 4.45Å; V770-I789 HydrophobicContact CG2-CG1 4.08Å; I789-L817 HydrophobicContact CD1-CD1 4.18Å; I789-L817 HydrophobicContact CD1-CD2 3.9Å; I789-R853 CarbonylContact O-C 3.52Å; I789-R853 WeakPolarHBondContact O-CA 3.33Å; I789-W854 HydrophobicContact CB-CB 4.49Å; I789-W854 HydrophobicContact CB-CE3 4.12Å; I789-W854 HydrophobicContact CG2-CE3 3.95Å; I789-W854 HydrophobicContact CG2-CZ3 4.32Å; I789-W854 PolarHBondContact N-O 2.92Å; I789-W854 PolarHBondContact O-N 2.73Å; I789-F868 HydrophobicContact CD1-CE2 4.28Å; I789-F868 HydrophobicContact CD1-CZ 4.11Å; I789-L892 HydrophobicContact CG2-CD2 3.82Å; I789-V894 HydrophobicContact CD1-CG2 4.43Å
790E92.3Very high84.4Confident24 Ų2447.1 Ų47.111%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-113.4133.5176.1-59.1-175.6160.100110.7V768 K769 R853V768-E790 CarbonylContact C-O 3.52Å; V768-E790 WeakPolarHBondContact CA-O 3.37Å; K769-E790 HydrophobicContact CB-CB 4.15Å; K769-E790 WeakPolarHBondContact CD-OE2 3.5Å; K769-E790 WeakPolarHBondContact CE-OE2 3.41Å; K769-E790 PolarHBondContact N-O 2.8Å; K769-E790 IonicContact NZ-OE2 2.66Å; K769-E790 PolarHBondContact NZ-OE2 2.98Å; K769-E790 PolarHBondContact O-N 3.26Å; E790-R853 HydrophobicContact CG-CB 4.36Å; E790-R853 HydrophobicContact CG-CG 3.94Å; E790-R853 IonicContact OE1-CZ 2.71Å; E790-R853 IonicContact OE1-NE 2.78Å; E790-R853 PolarHBondContact OE1-NE 3.27Å; E790-R853 IonicContact OE1-NH2 3.99Å; E790-R853 PolarHBondContact OE1-NH2 2.81Å
791L93.9Very high84.5Confident4 Ų445.4 Ų45.42%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-126.2118.8172.9-179.478.3000109.7Y766 N767 V768 L808 M851 I852 W854 S872Y766-L791 HydrophobicContact CD1-CD1 3.95Å; N767-L791 WeakPolarHBondContact O-CA 3.41Å; V768-L791 HydrophobicContact CG2-CD1 3.57Å; L791-L808 HydrophobicContact CD2-CD2 4.2Å; L791-M851 CarbonylContact O-C 3.57Å; L791-M851 WeakPolarHBondContact O-CA 3.39Å; L791-I852 PolarHBondContact N-O 2.86Å; L791-I852 PolarHBondContact O-N 2.74Å; L791-W854 HydrophobicContact CB-CH2 4.15Å; L791-W854 HydrophobicContact CB-CZ3 3.79Å; L791-W854 HydrophobicContact CD2-CH2 4.17Å; L791-S872 VanDerWaalsContact CD2-CB 3.44Å; L791-S872 WeakPolarHBondContact CD2-OG 3.23Å
792S91.6Very high84.6Confident15 Ų1548.4 Ų48.411%0.10526%0.258CS..EExtended strand (participates in β ladder)trans-111.8136.5172.9-590000110.4Y766 N767 C850 M851Y766-S792 CarbonylContact C-O 3.55Å; N767-S792 PolarHBondContact N-O 3.41Å; N767-S792 PolarHBondContact O-N 2.86Å; S792-C850 WeakPolarHBondContact CA-O 3.47Å; S792-M851 WeakPolarHBondContact OG-CG 3.43Å
793V92.7Very high84.9Confident0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-124130.7175.5174.80000110.2V764 S765 Y766 V795 L808 E849 C850 V874V764-V793 HydrophobicContact CG1-CG1 4.24Å; S765-V793 WeakPolarHBondContact O-CA 3.3Å; Y766-V793 HydrophobicContact CD1-CG2 3.22Å; Y766-V793 HydrophobicContact CE1-CG2 3.23Å; Y766-V793 HydrophobicContact CG-CG2 4.08Å; V793-V795 HydrophobicContact CG1-CG2 4.08Å; V793-L808 HydrophobicContact CB-CD1 4.44Å; V793-L808 HydrophobicContact CB-CD2 3.99Å; V793-L808 HydrophobicContact CG2-CD1 3.75Å; V793-L808 HydrophobicContact CG2-CD2 3.59Å; V793-L808 HydrophobicContact CG2-CG 4.25Å; V793-E849 VanDerWaalsContact O-CA 3.29Å; V793-E849 WeakPolarHBondContact O-CA 3.48Å; V793-C850 PolarHBondContact N-O 3.15Å; V793-C850 PolarHBondContact O-N 3.47Å; V793-V874 HydrophobicContact CG1-CG2 3.76Å
794R91.8Very high84.7Confident106 Ų10646.8 Ų46.840%0.424%0.244SC..EExtended strand (participates in β ladder)trans-116.6124.4173.7175.2-176-68.9-113.41.2110.1S765 S848 E849S765-R794 PolarHBondContact N-O 2.77Å; S765-R794 PolarHBondContact O-N 2.79Å; S765-R794 PolarHBondContact OG-O 3.36Å; R794-S848 WeakPolarHBondContact CA-O 3.37Å; R794-E849 HydrophobicContact CB-CB 4.32Å; R794-E849 HydrophobicContact CB-CG 4.34Å; R794-E849 IonicContact CZ-OE2 3.95Å; R794-E849 IonicContact NE-OE2 3.47Å; R794-E849 PolarHBondContact NE-OE2 2.96Å; R794-E849 IonicContact NH2-OE2 3.66Å; R794-E849 PolarHBondContact NH2-OE2 2.54Å
795V91.1Very high84.7Confident0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-113.2127.9176.5-176.80000109I762 R763 V764 V793 T806 L838 L842 S847 S848 V874I762-V795 HydrophobicContact CB-CG1 4.46Å; I762-V795 HydrophobicContact CD1-CG1 4.4Å; R763-V795 WeakPolarHBondContact O-CA 3.02Å; V764-V795 HydrophobicContact CG2-CG2 4.33Å; V793-V795 HydrophobicContact CG1-CG2 4.08Å; V795-T806 HydrophobicContact CG1-CG2 4.09Å; V795-L838 HydrophobicContact CB-CD1 4.3Å; V795-L838 HydrophobicContact CG2-CD1 3.64Å; V795-L842 HydrophobicContact CG1-CD1 4.35Å; V795-S847 CarbonylContact O-C 3.51Å; V795-S847 VanDerWaalsContact O-CA 3.27Å; V795-S847 WeakPolarHBondContact O-CA 3.3Å; V795-S848 PolarHBondContact N-O 3.34Å; V795-S848 PolarHBondContact O-N 2.98Å; V795-V874 HydrophobicContact CG2-CG1 4.23Å
796T90.5Very high84.5Confident28 Ų2835.9 Ų35.917%0.17219%0.186CC..EExtended strand (participates in β ladder)trans-124.2129.8-179.7-51.30000110.4I762 R763 I798 E846 S847I762-T796 CarbonylContact C-O 3.4Å; I762-T796 VanDerWaalsContact CA-O 3.32Å; I762-T796 WeakPolarHBondContact CA-O 3.32Å; R763-T796 PolarHBondContact N-O 3.39Å; R763-T796 PolarHBondContact O-N 3.5Å; T796-I798 HydrophobicContact CG2-CG2 4.1Å; T796-I798 PolarHBondContact O-N 3.39Å; T796-E846 WeakPolarHBondContact CA-O 3.27Å; T796-S847 WeakPolarHBondContact OG1-CB 3.4Å
797N90.6Very high85.1Confident0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-79.3111.4170.3-175.73.6000109.2T761 G799 D801 V803 L842 A843 G845 E846T761-N797 PolarHBondContact O-OD1 3.05Å; T761-N797 VanDerWaalsContact O-OD1 3.1Å; N797-G799 PolarHBondContact OD1-N 3.02Å; N797-G799 PolarHBondContact OD1-O 3.28Å; N797-D801 PolarHBondContact ND2-O 2.92Å; N797-V803 HydrophobicContact CB-CG2 4.21Å; N797-L842 HydrophobicContact CB-CB 3.88Å; N797-L842 PolarHBondContact ND2-O 2.9Å; N797-A843 WeakPolarHBondContact CB-O 3.25Å; N797-A843 PolarHBondContact ND2-O 3.1Å; N797-G845 WeakPolarHBondContact O-CA 3.33Å; N797-G845 PolarHBondContact O-N 3Å; N797-E846 PolarHBondContact N-O 2.83Å
798I89.2Confident85.3Confident65 Ų6527.1 Ų27.133%0.33314%0.14SC..  trans-104.4-0.5178.557.3170.3000112T761 R763 T796 E885T761-I798 HydrophobicContact CG2-CD1 3.69Å; T761-I798 HydrophobicContact CG2-CG1 3.54Å; T761-I798 WeakPolarHBondContact O-CG1 3.4Å; T761-I798 PolarHBondContact O-N 3.47Å; R763-I798 HydrophobicContact CB-CD1 4.35Å; R763-I798 HydrophobicContact CB-CG2 4.36Å; T796-I798 HydrophobicContact CG2-CG2 4.1Å; T796-I798 PolarHBondContact O-N 3.39Å; I798-E885 HydrophobicContact CD1-CB 4.34Å; I798-E885 WeakPolarHBondContact CD1-OE2 3.47Å
799G85.6Confident85.3Confident7 Ų725 Ų257%0.07213%0.127CC..SBendtrans-96.6-179.1176.200000113.2T761 N797 S844T761-G799 PolarHBondContact O-N 3.46Å; T761-G799 VanDerWaalsContact O-N 3.16Å; N797-G799 PolarHBondContact OD1-N 3.02Å; N797-G799 PolarHBondContact OD1-O 3.28Å; G799-S844 WeakPolarHBondContact O-CA 3.29Å; G799-S844 WeakPolarHBondContact O-CB 3.5Å; G799-S844 PolarHBondContact O-OG 3.31Å
800N83.7Confident85.3Confident147 Ų14724.9 Ų24.979%0.78613%0.127SC*.SBendtrans-91-25.4178.1-67.8-19.9000113.1
801D84.5Confident85.3Confident20 Ų2026.6 Ų26.611%0.10714%0.136CC..SBendtrans-85.2150.4-179.9-71.1-47.2000111.6R756 C758 C759 N797R756-D801 IonicContact CZ-OD1 2.82Å; R756-D801 VanDerWaalsContact CZ-OD1 3.23Å; R756-D801 IonicContact NH1-OD1 2.78Å; R756-D801 PolarHBondContact NH1-OD1 2.92Å; R756-D801 IonicContact NH1-OD2 2.78Å; R756-D801 IonicContact NH2-OD1 3.3Å; R756-D801 PolarHBondContact NH2-OD1 2.82Å; C758-D801 WeakPolarHBondContact CA-OD2 3.24Å; C758-D801 HydrophobicContact CB-CB 4.15Å; C759-D801 PolarHBondContact N-OD2 2.95Å; N797-D801 PolarHBondContact ND2-O 2.92Å
802L79.9Confident85.2Confident65 Ų6527.1 Ų27.134%0.3414%0.138SC..  trans-70.5142.6-179.3-72.7160.1000111.2Y804 P841 A843L802-Y804 HydrophobicContact CB-CD2 4.33Å; L802-Y804 HydrophobicContact CB-CE1 4.45Å; L802-Y804 HydrophobicContact CB-CE2 3.38Å; L802-Y804 VanDerWaalsContact CB-CZ 3.43Å; L802-Y804 VanDerWaalsContact CB-OH 3.22Å; L802-Y804 WeakPolarHBondContact CB-OH 3.23Å; L802-Y804 WeakPolarHBondContact CD1-OH 3.49Å; L802-Y804 WeakPolarHBondContact O-CD2 3.21Å; L802-Y804 WeakPolarHBondContact O-CE2 3.42Å; L802-P841 HydrophobicContact CB-CB 4.42Å; L802-P841 HydrophobicContact CD2-CB 4.18Å; L802-P841 HydrophobicContact CD2-CG 4.38Å; L802-A843 HydrophobicContact CD2-CB 4.22Å
803V76.3Confident85Confident6 Ų628.7 Ų28.74%0.03615%0.146CC..BIsolated β-bridgetrans-108.4118.3176.4-1790000109.1P760 I762 N797 T806 P841 L842P760-V803 HydrophobicContact CB-CG2 3.93Å; I762-V803 HydrophobicContact CG2-CG1 4.21Å; I762-V803 HydrophobicContact CG2-CG2 3.65Å; N797-V803 HydrophobicContact CB-CG2 4.21Å; V803-T806 HydrophobicContact CG1-CG2 3.91Å; V803-P841 CarbonylContact O-C 3.52Å; V803-P841 WeakPolarHBondContact O-CA 2.99Å; V803-L842 HydrophobicContact CB-CB 4.25Å; V803-L842 PolarHBondContact N-O 3.02Å; V803-L842 PolarHBondContact O-N 3.19Å
804Y67.6Low84.6Confident22 Ų2231.1 Ų31.19%0.08616%0.161CC..  trans-95.8-28.7-162.8-75.3-84.2000116.1T707 H751 L802 Y840 P841T707-Y804 HydrophobicContact CG2-CD2 3.84Å; T707-Y804 HydrophobicContact CG2-CE2 4.43Å; T707-Y804 HydrophobicContact CG2-CG 4.4Å; H751-Y804 AromaticContact CD2-CE1 3.88Å; H751-Y804 AromaticContact CD2-CZ 3.67Å; H751-Y804 AromaticContact CE1-CE2 3.47Å; H751-Y804 VanDerWaalsContact CE1-CE2 3.47Å; H751-Y804 WeakPolarHBondContact CE1-CE2 3.3Å; H751-Y804 AromaticContact CE1-CZ 3.22Å; H751-Y804 PolarHBondContact CE1-OH 2.77Å; H751-Y804 AromaticContact NE2-CD2 3.74Å; H751-Y804 AromaticContact NE2-CE1 3.45Å; H751-Y804 WeakPolarHBondContact NE2-CE1 3.19Å; H751-Y804 AromaticContact NE2-CE2 2.96Å; H751-Y804 WeakPolarHBondContact NE2-CE2 3.41Å; H751-Y804 AromaticContact NE2-CZ 2.8Å; H751-Y804 PolarHBondContact NE2-OH 2.87Å; L802-Y804 HydrophobicContact CB-CD2 4.33Å; L802-Y804 HydrophobicContact CB-CE1 4.45Å; L802-Y804 HydrophobicContact CB-CE2 3.38Å; L802-Y804 VanDerWaalsContact CB-CZ 3.43Å; L802-Y804 VanDerWaalsContact CB-OH 3.22Å; L802-Y804 WeakPolarHBondContact CB-OH 3.23Å; L802-Y804 WeakPolarHBondContact CD1-OH 3.49Å; L802-Y804 WeakPolarHBondContact O-CD2 3.21Å; L802-Y804 WeakPolarHBondContact O-CE2 3.42Å; Y804-Y840 WeakPolarHBondContact O-CB 3.43Å; Y804-P841 HydrophobicContact CD1-CB 3.92Å; Y804-P841 HydrophobicContact CE1-CB 3.82Å; Y804-P841 HydrophobicContact CE1-CG 4.26Å
805A64Low84Confident0 Ų032 Ų320%017%0.174CC..  trans-145.5121.1-175.800000109.9M614 I876M614-A805 HydrophobicContact CE-CB 3.63Å; M614-A805 HydrophobicContact SD-CB 3.84Å; A805-I876 WeakPolarHBondContact O-CA 3.26Å
806T69.2Low83.6Confident8 Ų832.1 Ų32.15%0.04917%0.174CC..EExtended strand (participates in β ladder)trans-149.3116.8-171.7131.40000106.9V795 V803 L838 L875 I876V795-T806 HydrophobicContact CG1-CG2 4.09Å; V803-T806 HydrophobicContact CG1-CG2 3.91Å; T806-L838 WeakPolarHBondContact O-CB 3.36Å; T806-L838 PolarHBondContact O-N 3.44Å; T806-L838 WeakPolarHBondContact OG1-CB 3.19Å; T806-L838 WeakPolarHBondContact OG1-CD1 3.3Å; T806-L875 WeakPolarHBondContact CA-O 3.47Å; T806-I876 HydrophobicContact CG2-CG1 4.1Å; T806-I876 HydrophobicContact CG2-CG2 4.46Å
807A85.2Confident83.5Confident0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-144.3151.5179.400000110.7L703 I835 V874 L875L703-A807 HydrophobicContact CD2-CB 3.74Å; A807-I835 HydrophobicContact CB-CD1 4.24Å; A807-I835 HydrophobicContact CB-CG1 4.38Å; A807-V874 CarbonylContact O-C 3.44Å; A807-V874 WeakPolarHBondContact O-CA 3.43Å; A807-L875 HydrophobicContact CB-CB 4.48Å; A807-L875 PolarHBondContact N-O 3.4Å; A807-L875 VanDerWaalsContact N-O 3.14Å; A807-L875 PolarHBondContact O-N 2Å
808L89.9Confident83.4Confident0 Ų035.6 Ų35.60%019%0.189CC..EExtended strand (participates in β ladder)trans-101.5123.9173.7177.764000109.5Y766 L791 V793 I835 C836 I852 V874Y766-L808 HydrophobicContact CE1-CD1 4.17Å; L791-L808 HydrophobicContact CD2-CD2 4.2Å; V793-L808 HydrophobicContact CB-CD1 4.44Å; V793-L808 HydrophobicContact CB-CD2 3.99Å; V793-L808 HydrophobicContact CG2-CD1 3.75Å; V793-L808 HydrophobicContact CG2-CD2 3.59Å; V793-L808 HydrophobicContact CG2-CG 4.25Å; L808-I835 CarbonylContact O-C 3.4Å; L808-I835 VanDerWaalsContact O-CA 3.3Å; L808-I835 WeakPolarHBondContact O-CA 3.42Å; L808-C836 PolarHBondContact N-O 2.84Å; L808-C836 PolarHBondContact O-N 2.88Å; L808-I852 HydrophobicContact CD2-CD1 3.82Å; L808-I852 HydrophobicContact CD2-CG1 4.11Å; L808-I852 HydrophobicContact CG-CD1 4.05Å; L808-V874 HydrophobicContact CD1-CG2 4.25Å
809V90Very high83.4Confident6 Ų633.8 Ų33.84%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-111.2139.5170.1170.90000109.5F617 T833 A834 I835 S872 T873 L875F617-V809 HydrophobicContact CD2-CG1 4.45Å; F617-V809 HydrophobicContact CD2-CG2 4.23Å; F617-V809 HydrophobicContact CE2-CB 4.29Å; F617-V809 HydrophobicContact CE2-CG1 3.84Å; F617-V809 HydrophobicContact CE2-CG2 3.67Å; F617-V809 HydrophobicContact CZ-CG2 3.97Å; V809-T833 HydrophobicContact CG1-CG2 3.67Å; V809-A834 CarbonylContact C-O 3.13Å; V809-A834 WeakPolarHBondContact CA-O 3.46Å; V809-I835 HydrophobicContact CG2-CB 4.3Å; V809-I835 HydrophobicContact CG2-CD1 4.03Å; V809-I835 HydrophobicContact CG2-CG1 3.93Å; V809-S872 CarbonylContact O-C 3.41Å; V809-S872 VanDerWaalsContact O-CA 3.23Å; V809-S872 WeakPolarHBondContact O-CA 3.48Å; V809-T873 PolarHBondContact N-O 3.18Å; V809-T873 PolarHBondContact O-N 3.27Å; V809-L875 HydrophobicContact CB-CD1 4.48Å; V809-L875 HydrophobicContact CB-CG 4.5Å; V809-L875 HydrophobicContact CG2-CD1 3.48Å; V809-L875 VanDerWaalsContact CG2-CD1 3.48Å; V809-L875 HydrophobicContact CG2-CG 3.94Å
810S92.5Very high83.5Confident0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-139127176.9-168.30000112.5A834 W854 V870 N871 S872S810-A834 PolarHBondContact N-O 2.96Å; S810-A834 PolarHBondContact O-N 2.83Å; S810-W854 VanDerWaalsContact OG-CH2 3.26Å; S810-W854 WeakPolarHBondContact OG-CH2 3.17Å; S810-W854 VanDerWaalsContact OG-CZ2 3.25Å; S810-W854 WeakPolarHBondContact OG-CZ2 3.47Å; S810-V870 WeakPolarHBondContact OG-CG1 3.15Å; S810-N871 CarbonylContact C-O 3.55Å; S810-N871 WeakPolarHBondContact CA-O 3.32Å; S810-S872 PolarHBondContact OG-OG 3.01Å
811N91.9Very high83.3Confident60 Ų6032 Ų3232%0.32118%0.177SC..EExtended strand (participates in β ladder)trans-95.7131.9177.1-63.7-5.8000109.9Y621 D832 T833 V870 N871Y621-N811 PolarHBondContact OH-ND2 2.74Å; Y621-N811 PolarHBondContact OH-OD1 2.8Å; N811-D832 CarbonylContact C-O 3.58Å; N811-D832 VanDerWaalsContact CA-O 3.29Å; N811-D832 WeakPolarHBondContact CA-O 3.39Å; N811-T833 WeakPolarHBondContact OD1-CG2 3.29Å; N811-T833 PolarHBondContact OD1-OG1 3.35Å; N811-V870 WeakPolarHBondContact O-CA 3.38Å; N811-N871 PolarHBondContact N-O 2.84Å; N811-N871 PolarHBondContact O-N 3.26Å; N811-N871 VanDerWaalsContact O-N 3.09Å
812F91.3Very high83.1Confident14 Ų1437.4 Ų37.46%0.06121%0.206CC..  trans-145.3168-174.966-87.1000111.5P814 L817 L828 D832 A834 W854 V870F812-P814 VanDerWaalsContact O-CD 3.29Å; F812-P814 WeakPolarHBondContact O-CD 3.47Å; F812-L817 HydrophobicContact CB-CD1 4.12Å; F812-L817 HydrophobicContact CD2-CB 3.91Å; F812-L828 HydrophobicContact CE1-CD1 4.22Å; F812-L828 HydrophobicContact CZ-CD1 3.78Å; F812-D832 WeakPolarHBondContact CD1-O 3.28Å; F812-D832 PolarHBondContact N-O 2.86Å; F812-D832 WeakPolarHBondContact O-CB 3.46Å; F812-A834 HydrophobicContact CE1-CB 3.9Å; F812-W854 HydrophobicContact CD1-CZ2 4.34Å; F812-W854 AromaticContact CD1-NE1 3.14Å; F812-W854 AromaticContact CD2-CD1 3.79Å; F812-W854 AromaticContact CD2-NE1 3.75Å; F812-W854 AromaticContact CE1-NE1 3.54Å; F812-W854 AromaticContact CG-CD1 3.76Å; F812-W854 AromaticContact CG-NE1 3.25Å; F812-W854 VanDerWaalsContact CG-NE1 3.25Å; F812-W854 AromaticContact CZ-NE1 3.99Å; F812-V870 HydrophobicContact CB-CG2 4.47Å
813L87.5Confident83Confident49 Ų4935.4 Ų35.426%0.25720%0.195SC..  trans-92.1109.8-178-173.369.7000111.7N815 L816 L817 M865L813-N815 PolarHBondContact O-N 3.12Å; L813-L816 HydrophobicContact CD2-CB 4.11Å; L813-L816 PolarHBondContact O-N 2.71Å; L813-L816 VanDerWaalsContact O-N 3.15Å; L813-L817 PolarHBondContact O-N 2.82Å; L813-M865 HydrophobicContact CD2-CE 3.71Å; L813-M865 HydrophobicContact CD2-SD 3.59Å; L813-M865 VanDerWaalsContact CD2-SD 3.59Å
814P84Confident82.8Confident50 Ų5045.1 Ų45.133%0.32524%0.237SC..THydrogen-bonded Turntrans-67-20.1-174.122.8-32.9000114.9F812 L816 L817 P831 D832F812-P814 VanDerWaalsContact O-CD 3.29Å; F812-P814 WeakPolarHBondContact O-CD 3.47Å; P814-L816 VanDerWaalsContact C-N 3.26Å; P814-L816 PolarHBondContact O-N 3.26Å; P814-L817 WeakPolarHBondContact CA-O 3.03Å; P814-P831 WeakPolarHBondContact CB-O 3.07Å; P814-D832 HydrophobicContact CG-CB 4.35Å
815N80.3Confident83.2Confident125 Ų12549.4 Ų49.467%0.66826%0.258SS*.THydrogen-bonded Turntrans-77.5-12.6178.6-65.8-18.4000113.3L813L813-N815 PolarHBondContact O-N 3.12Å
816L82.7Confident84.2Confident2 Ų250.1 Ų50.11%0.0126%0.263CS..THydrogen-bonded Turntrans-126.4-26.9-176.1-174.164.5000112.3V781 L813 P814 V856 I857 L861 F868 I896V781-L816 HydrophobicContact CG2-CD1 4.38Å; L813-L816 HydrophobicContact CD2-CB 4.11Å; L813-L816 PolarHBondContact O-N 2.71Å; L813-L816 VanDerWaalsContact O-N 3.15Å; P814-L816 VanDerWaalsContact C-N 3.26Å; P814-L816 PolarHBondContact O-N 3.26Å; L816-V856 HydrophobicContact CD1-CG1 4.29Å; L816-V856 CarbonylContact O-C 3.54Å; L816-V856 WeakPolarHBondContact O-CA 3.41Å; L816-I857 PolarHBondContact O-N 3.19Å; L816-L861 HydrophobicContact CD1-CD2 4.46Å; L816-F868 HydrophobicContact CD2-CD1 3.45Å; L816-F868 VanDerWaalsContact CD2-CD1 3.45Å; L816-F868 HydrophobicContact CD2-CE1 3.31Å; L816-F868 HydrophobicContact CD2-CE2 4.46Å; L816-F868 HydrophobicContact CD2-CG 4.06Å; L816-F868 HydrophobicContact CD2-CZ 3.86Å; L816-I896 HydrophobicContact CD2-CD1 4.12Å; L816-I896 HydrophobicContact CD2-CG1 4.49Å
817L88.4Confident84.9Confident1 Ų151.8 Ų51.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-124.5137.1-178.1-65.1178.8000110.3I789 F812 L813 P814 W854 L855 V856 F868 V870I789-L817 HydrophobicContact CD1-CD1 4.18Å; I789-L817 HydrophobicContact CD1-CD2 3.9Å; F812-L817 HydrophobicContact CB-CD1 4.12Å; F812-L817 HydrophobicContact CD2-CB 3.91Å; L813-L817 PolarHBondContact O-N 2.82Å; P814-L817 WeakPolarHBondContact CA-O 3.03Å; L817-W854 HydrophobicContact CB-CB 4.11Å; L817-W854 HydrophobicContact CB-CG 4.34Å; L817-W854 HydrophobicContact CD1-CB 4.3Å; L817-W854 HydrophobicContact CD1-CG 4.29Å; L817-W854 HydrophobicContact CD2-CB 4.07Å; L817-W854 HydrophobicContact CG-CB 4.39Å; L817-L855 CarbonylContact C-O 3.5Å; L817-L855 VanDerWaalsContact CA-O 3.31Å; L817-L855 WeakPolarHBondContact CA-O 2.95Å; L817-V856 HydrophobicContact CD2-CG2 3.94Å; L817-F868 HydrophobicContact CD1-CE2 3.78Å; L817-F868 HydrophobicContact CD1-CZ 4.46Å; L817-F868 HydrophobicContact CG-CE2 4.36Å; L817-V870 HydrophobicContact CD1-CG2 3.89Å
818E87.8Confident84.8Confident101 Ų10155.9 Ų55.947%0.47230%0.297SS..EExtended strand (participates in β ladder)trans-120.3141.5169.6163.5175.4-147.500110.1W854 L855 I857E818-W854 CarbonylContact O-C 3.44Å; E818-W854 VanDerWaalsContact O-CA 3.24Å; E818-W854 WeakPolarHBondContact O-CA 2.98Å; E818-L855 PolarHBondContact N-O 3.26Å; E818-L855 PolarHBondContact O-N 3.08Å; E818-I857 HydrophobicContact CB-CD1 3.22Å; E818-I857 HydrophobicContact CB-CG1 3.88Å; E818-I857 HydrophobicContact CG-CD1 4.26Å
819L89.6Confident84.1Confident27 Ų2757.2 Ų57.214%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-69.1131.7177.9-17469.6000110.2S821 A826 L828 A834 I852L819-S821 PolarHBondContact O-N 2.86Å; L819-A826 HydrophobicContact CD1-CB 4.28Å; L819-L828 HydrophobicContact CD2-CD1 4.36Å; L819-A834 HydrophobicContact CD1-CB 4.02Å; L819-A834 HydrophobicContact CD2-CB 4.33Å; L819-I852 HydrophobicContact CD1-CG2 3.59Å
820D87.2Confident83.6Confident9 Ų960.1 Ų60.15%0.04832%0.317CS..  trans-67101.7176.4-176.65.6000110.5N822 L823 R853D820-N822 PolarHBondContact O-N 3.24Å; D820-N822 VanDerWaalsContact O-N 3.09Å; D820-N822 VanDerWaalsContact OD1-CB 3.28Å; D820-N822 WeakPolarHBondContact OD1-CB 3.34Å; D820-N822 PolarHBondContact OD1-N 2.93Å; D820-N822 PolarHBondContact OD1-ND2 3.43Å; D820-L823 WeakPolarHBondContact O-CB 3.26Å; D820-L823 PolarHBondContact O-N 2.81Å; D820-R853 HydrophobicContact CB-CB 4.07Å; D820-R853 HydrophobicContact CB-CG 4.12Å; D820-R853 PolarHBondContact N-O 2.98Å; D820-R853 VanDerWaalsContact OD2-CD 3.29Å; D820-R853 WeakPolarHBondContact OD2-CD 3.38Å; D820-R853 IonicContact OD2-CZ 2.74Å; D820-R853 IonicContact OD2-NH1 3.87Å; D820-R853 PolarHBondContact OD2-NH1 2.86Å
821S79.7Confident83.1Confident107 Ų10764.6 Ų64.675%0.74835%0.346SS*.THydrogen-bonded Turntrans-61.6-14.3178.9590000114.5L819 L823L819-S821 PolarHBondContact O-N 2.86Å; S821-L823 PolarHBondContact O-N 3.06Å
822N79.9Confident82.8Confident133 Ų13364.8 Ų64.871%0.71135%0.347SS*.THydrogen-bonded Turntrans-73.2-19.4174.6-59.5-59.9000112.5D820 K824D820-N822 PolarHBondContact O-N 3.24Å; D820-N822 VanDerWaalsContact O-N 3.09Å; D820-N822 VanDerWaalsContact OD1-CB 3.28Å; D820-N822 WeakPolarHBondContact OD1-CB 3.34Å; D820-N822 PolarHBondContact OD1-N 2.93Å; D820-N822 PolarHBondContact OD1-ND2 3.43Å; N822-K824 PolarHBondContact O-N 2.9Å
823L78.4Confident82.7Confident23 Ų2364.1 Ų64.112%0.1234%0.344CS..  trans-86.196.8-179.6-140.592.6000110.1D820 S821 E825 A826 M851D820-L823 WeakPolarHBondContact O-CB 3.26Å; D820-L823 PolarHBondContact O-N 2.81Å; S821-L823 PolarHBondContact O-N 3.06Å; L823-E825 PolarHBondContact O-N 2.86Å; L823-E825 VanDerWaalsContact O-N 3.12Å; L823-A826 PolarHBondContact O-N 3.11Å; L823-M851 HydrophobicContact CD1-CE 3.66Å; L823-M851 HydrophobicContact CD1-SD 3.66Å; L823-M851 HydrophobicContact CD2-CB 4.15Å; L823-M851 HydrophobicContact CD2-CE 4.31Å; L823-M851 HydrophobicContact CD2-CG 4.37Å; L823-M851 WeakPolarHBondContact CD2-O 3.45Å; L823-M851 HydrophobicContact CD2-SD 3.66Å; L823-M851 HydrophobicContact CG-SD 4.32Å
824K72.7Confident82.8Confident210 Ų21061.8 Ų61.891%0.91333%0.332SS*.THydrogen-bonded Turntrans-64.7-14.2-179.2-68.3-172.7178.6-177.90114.5N822N822-K824 PolarHBondContact O-N 2.9Å
825E76Confident82.9Confident113 Ų11359.4 Ų59.453%0.52832%0.316SS..THydrogen-bonded Turntrans-77-26.5-177.2-65.2173.8-171.100113.1L823 C836L823-E825 PolarHBondContact O-N 2.86Å; L823-E825 VanDerWaalsContact O-N 3.12Å; E825-C836 PolarHBondContact O-SG 3.08Å; E825-C836 VanDerWaalsContact O-SG 3.39Å
826A84.2Confident83.3Confident14 Ų1453.5 Ų53.512%0.11629%0.285CS..EExtended strand (participates in β ladder)trans-110.6139.8-177.100000111.5L819 L823 I835 C836 I852L819-A826 HydrophobicContact CD1-CB 4.28Å; L823-A826 PolarHBondContact O-N 3.11Å; A826-I835 CarbonylContact C-O 3.5Å; A826-I835 WeakPolarHBondContact CA-O 3.23Å; A826-C836 HydrophobicContact CB-CB 4.13Å; A826-I852 HydrophobicContact CB-CG1 4.17Å
827S83.3Confident83.3Confident43 Ų4355.4 Ų55.430%0.30129%0.294SS..EExtended strand (participates in β ladder)trans-131.9156.317768.70000111.5A834 I835S827-A834 WeakPolarHBondContact O-CA 3.05Å; S827-I835 PolarHBondContact N-O 2.96Å; S827-I835 PolarHBondContact O-N 2.78Å; S827-I835 WeakPolarHBondContact OG-CG2 3.07Å
828L83.2Confident83Confident87 Ų8755.7 Ų55.746%0.45530%0.295SS..EExtended strand (participates in β ladder)trans-90125.1-179-158.691.6000110.1F812 L819 Q830F812-L828 HydrophobicContact CE1-CD1 4.22Å; F812-L828 HydrophobicContact CZ-CD1 3.78Å; L819-L828 HydrophobicContact CD2-CD1 4.36Å; L828-Q830 WeakPolarHBondContact CD1-O 3.45Å; L828-Q830 WeakPolarHBondContact CD2-O 3.06Å; L828-Q830 WeakPolarHBondContact CG-O 3.32Å
829I76.7Confident82.3Confident27 Ų2755.8 Ų55.814%0.13830%0.295CS..EExtended strand (participates in β ladder)trans-89.1-44.2171.8-60-174000109.9Y536 F617 L623 T833 I835Y536-I829 HydrophobicContact CD2-CG2 4.21Å; Y536-I829 HydrophobicContact CE2-CG1 4.04Å; Y536-I829 HydrophobicContact CE2-CG2 4.45Å; F617-I829 HydrophobicContact CE1-CD1 4.32Å; F617-I829 HydrophobicContact CZ-CD1 3.59Å; L623-I829 HydrophobicContact CD1-CG2 4.1Å; I829-T833 PolarHBondContact N-O 2.9Å; I829-I835 HydrophobicContact CD1-CB 3.49Å; I829-I835 VanDerWaalsContact CD1-CB 3.49Å; I829-I835 HydrophobicContact CD1-CD1 3.74Å; I829-I835 HydrophobicContact CD1-CG1 4.18Å; I829-I835 HydrophobicContact CD1-CG2 3.57Å; I829-I835 HydrophobicContact CG1-CB 3.84Å; I829-I835 HydrophobicContact CG1-CG2 3.48Å; I829-I835 VanDerWaalsContact CG1-CG2 3.48Å
830Q79.3Confident81.5Confident68 Ų6856.1 Ų56.132%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-140.2160.6178-75.8-173.9-11.500109.4Y621 L828 D832 T833Y621-Q830 HydrophobicContact CD1-CG 4.38Å; L828-Q830 WeakPolarHBondContact CD1-O 3.45Å; L828-Q830 WeakPolarHBondContact CD2-O 3.06Å; L828-Q830 WeakPolarHBondContact CG-O 3.32Å; Q830-D832 WeakPolarHBondContact CB-OD1 3.43Å; Q830-D832 PolarHBondContact O-N 3.3Å; Q830-T833 PolarHBondContact N-O 3.32Å; Q830-T833 PolarHBondContact O-N 3.38Å; Q830-T833 VanDerWaalsContact O-O 3.09Å
831P80.4Confident81Confident93 Ų9358.2 Ų58.260%0.60431%0.309SS*.THydrogen-bonded Turntrans-45.5-33.1179.6-3137.3000115.2P814P814-P831 WeakPolarHBondContact CB-O 3.07Å
832D86.4Confident81.2Confident65 Ų6553.1 Ų53.135%0.34827%0.274SS..THydrogen-bonded Turntrans-106.61.2-176.963.2-10.7000114.6N811 F812 P814 Q830N811-D832 CarbonylContact C-O 3.58Å; N811-D832 VanDerWaalsContact CA-O 3.29Å; N811-D832 WeakPolarHBondContact CA-O 3.39Å; F812-D832 WeakPolarHBondContact CD1-O 3.28Å; F812-D832 PolarHBondContact N-O 2.86Å; F812-D832 WeakPolarHBondContact O-CB 3.46Å; P814-D832 HydrophobicContact CG-CB 4.35Å; Q830-D832 WeakPolarHBondContact CB-OD1 3.43Å; Q830-D832 PolarHBondContact O-N 3.3Å
833T88.6Confident81.5Confident0 Ų048.5 Ų48.50%025%0.254CS..EExtended strand (participates in β ladder)trans-134.8119.3-169.9-55.10000111.4Y621 V809 N811 I829 Q830Y621-T833 HydrophobicContact CE1-CG2 3.98Å; Y621-T833 PolarHBondContact OH-OG1 2.88Å; V809-T833 HydrophobicContact CG1-CG2 3.67Å; N811-T833 WeakPolarHBondContact OD1-CG2 3.29Å; N811-T833 PolarHBondContact OD1-OG1 3.35Å; I829-T833 PolarHBondContact N-O 2.9Å; Q830-T833 PolarHBondContact N-O 3.32Å; Q830-T833 PolarHBondContact O-N 3.38Å; Q830-T833 VanDerWaalsContact O-O 3.09Å
834A89.4Confident81.9Confident0 Ų050.7 Ų50.70%027%0.271CS..EExtended strand (participates in β ladder)trans-105.6146.117400000111.3V809 S810 F812 L819 S827 I852V809-A834 CarbonylContact C-O 3.13Å; V809-A834 WeakPolarHBondContact CA-O 3.46Å; S810-A834 PolarHBondContact N-O 2.96Å; S810-A834 PolarHBondContact O-N 2.83Å; F812-A834 HydrophobicContact CE1-CB 3.9Å; L819-A834 HydrophobicContact CD1-CB 4.02Å; L819-A834 HydrophobicContact CD2-CB 4.33Å; S827-A834 WeakPolarHBondContact O-CA 3.05Å; A834-I852 HydrophobicContact CB-CD1 4.33Å; A834-I852 HydrophobicContact CB-CG2 4.3Å
835I87Confident82.6Confident0 Ų043.4 Ų43.40%026%0.256CS..EExtended strand (participates in β ladder)trans-123.2146172-167.9165.4000110.6L703 A807 L808 V809 A826 S827 I829L703-I835 HydrophobicContact CD1-CD1 4.13Å; A807-I835 HydrophobicContact CB-CD1 4.24Å; A807-I835 HydrophobicContact CB-CG1 4.38Å; L808-I835 CarbonylContact O-C 3.4Å; L808-I835 VanDerWaalsContact O-CA 3.3Å; L808-I835 WeakPolarHBondContact O-CA 3.42Å; V809-I835 HydrophobicContact CG2-CB 4.3Å; V809-I835 HydrophobicContact CG2-CD1 4.03Å; V809-I835 HydrophobicContact CG2-CG1 3.93Å; A826-I835 CarbonylContact C-O 3.5Å; A826-I835 WeakPolarHBondContact CA-O 3.23Å; S827-I835 PolarHBondContact N-O 2.96Å; S827-I835 PolarHBondContact O-N 2.78Å; S827-I835 WeakPolarHBondContact OG-CG2 3.07Å; I829-I835 HydrophobicContact CD1-CB 3.49Å; I829-I835 VanDerWaalsContact CD1-CB 3.49Å; I829-I835 HydrophobicContact CD1-CD1 3.74Å; I829-I835 HydrophobicContact CD1-CG1 4.18Å; I829-I835 HydrophobicContact CD1-CG2 3.57Å; I829-I835 HydrophobicContact CG1-CB 3.84Å; I829-I835 HydrophobicContact CG1-CG2 3.48Å; I829-I835 VanDerWaalsContact CG1-CG2 3.48Å
836C88.2Confident83.3Confident0 Ų041.7 Ų41.70%025%0.248CC..EExtended strand (participates in β ladder)trans-139.1129.6171.9170.50000109.4L808 E825 A826 C850 I852L808-C836 PolarHBondContact N-O 2.84Å; L808-C836 PolarHBondContact O-N 2.88Å; E825-C836 PolarHBondContact O-SG 3.08Å; E825-C836 VanDerWaalsContact O-SG 3.39Å; A826-C836 HydrophobicContact CB-CB 4.13Å; C836-C850 HydrophobicContact CB-CB 4.36Å; C836-C850 WeakPolarHBondContact CB-SG 3.27Å; C836-C850 WeakPolarHBondContact SG-CB 3.21Å; C836-C850 CovalentContact SG-SG 1.99Å; C836-C850 PolarHBondContact SG-SG 2.9Å; C836-I852 HydrophobicContact CB-CD1 4.23Å; C836-I852 HydrophobicContact CB-CG1 3.95Å
837H82Confident83.5Confident43 Ų4343.5 Ų43.520%0.19926%0.26CS..EExtended strand (participates in β ladder)trans-90.2137.5-170-56.9-82.8000110.7D700D700-H837 IonicContact OD1-CE1 3.68Å; D700-H837 IonicContact OD2-CE1 3.22Å; D700-H837 PolarHBondContact OD2-CE1 2.94Å
838L82.7Confident83.9Confident6 Ų642.1 Ų42.13%0.03125%0.25CC..PPolyproline II helixtrans-101.5163.4172.5-66.9150.5000109.7V795 T806 S848 C850V795-L838 HydrophobicContact CB-CD1 4.3Å; V795-L838 HydrophobicContact CG2-CD1 3.64Å; T806-L838 WeakPolarHBondContact O-CB 3.36Å; T806-L838 PolarHBondContact O-N 3.44Å; T806-L838 WeakPolarHBondContact OG1-CB 3.19Å; T806-L838 WeakPolarHBondContact OG1-CD1 3.3Å; L838-S848 WeakPolarHBondContact CD2-O 3.35Å; L838-S848 WeakPolarHBondContact CD2-OG 3.34Å; L838-C850 HydrophobicContact CD2-CB 3.7Å; L838-C850 HydrophobicContact CG-CB 4.09Å
839Q74.4Confident84.2Confident103 Ų10342.3 Ų42.348%0.48125%0.248SC..PPolyproline II helixtrans-63.1146.2-179.6-174.8176.7-21.300112.2L842 S848Q839-L842 HydrophobicContact CB-CD2 4.34Å; Q839-S848 PolarHBondContact N-OG 2.84Å
840Y71.1Confident84.9Confident35 Ų3541.2 Ų41.214%0.13724%0.243CC..SBendtrans-147.6153.8178.880.2-71.4000113.1N521 T701 Y702 Y804N521-Y840 PolarHBondContact ND2-OH 2.84Å; N521-Y840 PolarHBondContact OD1-OH 3.08Å; N521-Y840 VanDerWaalsContact OD1-OH 3.12Å; T701-Y840 PolarHBondContact OG1-OH 2.85Å; Y702-Y840 AromaticContact CD1-CD1 3.31Å; Y702-Y840 HydrophobicContact CD1-CD1 3.31Å; Y702-Y840 AromaticContact CD1-CE1 3.02Å; Y702-Y840 HydrophobicContact CD1-CE1 3.02Å; Y702-Y840 AromaticContact CE1-CD1 3.82Å; Y702-Y840 HydrophobicContact CE1-CD1 3.82Å; Y702-Y840 AromaticContact CE1-CE1 3.26Å; Y702-Y840 HydrophobicContact CE1-CE1 3.26Å; Y702-Y840 HydrophobicContact CG-CD1 4.19Å; Y702-Y840 AromaticContact CG-CE1 3.76Å; Y702-Y840 HydrophobicContact CG-CE1 3.76Å; Y804-Y840 WeakPolarHBondContact O-CB 3.43Å
841P77.6Confident85.5Confident53 Ų5339.8 Ų39.834%0.34424%0.237SC..SBendcis-66.4148.2-2429.9-33.1000110.4L802 V803 Y804L802-P841 HydrophobicContact CB-CB 4.42Å; L802-P841 HydrophobicContact CD2-CB 4.18Å; L802-P841 HydrophobicContact CD2-CG 4.38Å; V803-P841 CarbonylContact O-C 3.52Å; V803-P841 WeakPolarHBondContact O-CA 2.99Å; Y804-P841 HydrophobicContact CD1-CB 3.92Å; Y804-P841 HydrophobicContact CE1-CB 3.82Å; Y804-P841 HydrophobicContact CE1-CG 4.26Å
842L84.3Confident86.1Confident0 Ų035.4 Ų35.40%021%0.208CC..BIsolated β-bridgetrans-82.9117.7173.1-67.3167000109.6V795 N797 V803 Q839 E846V795-L842 HydrophobicContact CG1-CD1 4.35Å; N797-L842 HydrophobicContact CB-CB 3.88Å; N797-L842 PolarHBondContact ND2-O 2.9Å; V803-L842 HydrophobicContact CB-CB 4.25Å; V803-L842 PolarHBondContact N-O 3.02Å; V803-L842 PolarHBondContact O-N 3.19Å; Q839-L842 HydrophobicContact CB-CD2 4.34Å; L842-E846 HydrophobicContact CB-CB 4.5Å; L842-E846 HydrophobicContact CD2-CB 3.99Å
843A85Confident86.4Confident35 Ų3535.4 Ų35.429%0.28920%0.203SC..PPolyproline II helixtrans-71.7165.616900000111.5N797 L802 G845 E846N797-A843 WeakPolarHBondContact CB-O 3.25Å; N797-A843 PolarHBondContact ND2-O 3.1Å; L802-A843 HydrophobicContact CD2-CB 4.22Å; A843-G845 PolarHBondContact O-N 2.69Å; A843-E846 HydrophobicContact CB-CG 4.06Å; A843-E846 PolarHBondContact N-OE2 3.2Å; A843-E846 WeakPolarHBondContact O-CB 3.46Å; A843-E846 PolarHBondContact O-N 3.24Å
844S86.6Confident86.6Confident69 Ų6935.5 Ų35.548%0.48320%0.204SC..THydrogen-bonded Turntrans-56.2125.4177.7-170.90000110.9G799 E846G799-S844 WeakPolarHBondContact O-CA 3.29Å; G799-S844 WeakPolarHBondContact O-CB 3.5Å; G799-S844 PolarHBondContact O-OG 3.31Å; S844-E846 VanDerWaalsContact C-N 3.34Å
845G87.9Confident86.5Confident58 Ų5838.4 Ų38.460%0.59822%0.219SC*.THydrogen-bonded Turntrans85.9-7.2-178.600000115.4N797 A843N797-G845 WeakPolarHBondContact O-CA 3.33Å; N797-G845 PolarHBondContact O-N 3Å; A843-G845 PolarHBondContact O-N 2.69Å
846E90.6Very high86.5Confident77 Ų7739.8 Ų39.836%0.3623%0.227SC..  trans-77.9144.8176.9-68-174.3158.200111.9T796 N797 L842 A843 S844T796-E846 WeakPolarHBondContact CA-O 3.27Å; N797-E846 PolarHBondContact N-O 2.83Å; L842-E846 HydrophobicContact CB-CB 4.5Å; L842-E846 HydrophobicContact CD2-CB 3.99Å; A843-E846 HydrophobicContact CB-CG 4.06Å; A843-E846 PolarHBondContact N-OE2 3.2Å; A843-E846 WeakPolarHBondContact O-CB 3.46Å; A843-E846 PolarHBondContact O-N 3.24Å; S844-E846 VanDerWaalsContact C-N 3.34Å
847S90Very high86Confident52 Ų5243.4 Ų43.436%0.36425%0.246SC..EExtended strand (participates in β ladder)trans-127.4141.8175.270.50000111.1V795 T796V795-S847 CarbonylContact O-C 3.51Å; V795-S847 VanDerWaalsContact O-CA 3.27Å; V795-S847 WeakPolarHBondContact O-CA 3.3Å; T796-S847 WeakPolarHBondContact OG1-CB 3.4Å
848S90.2Very high85.2Confident14 Ų1442.2 Ų42.210%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-122.3143.5171.4-170.60000110R794 V795 L838 Q839R794-S848 WeakPolarHBondContact CA-O 3.37Å; V795-S848 PolarHBondContact N-O 3.34Å; V795-S848 PolarHBondContact O-N 2.98Å; L838-S848 WeakPolarHBondContact CD2-O 3.35Å; L838-S848 WeakPolarHBondContact CD2-OG 3.34Å; Q839-S848 PolarHBondContact N-OG 2.84Å
849E90.3Very high84.2Confident91 Ų9148.2 Ų48.243%0.42527%0.273SS..EExtended strand (participates in β ladder)trans-127.8143.3178-178.3170.2-168.600109.4V793 R794V793-E849 VanDerWaalsContact O-CA 3.29Å; V793-E849 WeakPolarHBondContact O-CA 3.48Å; R794-E849 HydrophobicContact CB-CB 4.32Å; R794-E849 HydrophobicContact CB-CG 4.34Å; R794-E849 IonicContact CZ-OE2 3.95Å; R794-E849 IonicContact NE-OE2 3.47Å; R794-E849 PolarHBondContact NE-OE2 2.96Å; R794-E849 IonicContact NH2-OE2 3.66Å; R794-E849 PolarHBondContact NH2-OE2 2.54Å
850C90.9Very high83.4Confident3 Ų349.1 Ų49.12%0.0228%0.277CS..EExtended strand (participates in β ladder)trans-143.5146.6-180138.60000108.9S792 V793 C836 L838S792-C850 WeakPolarHBondContact CA-O 3.47Å; V793-C850 PolarHBondContact N-O 3.15Å; V793-C850 PolarHBondContact O-N 3.47Å; C836-C850 HydrophobicContact CB-CB 4.36Å; C836-C850 WeakPolarHBondContact CB-SG 3.27Å; C836-C850 WeakPolarHBondContact SG-CB 3.21Å; C836-C850 CovalentContact SG-SG 1.99Å; C836-C850 PolarHBondContact SG-SG 2.9Å; L838-C850 HydrophobicContact CD2-CB 3.7Å; L838-C850 HydrophobicContact CG-CB 4.09Å
851M91.5Very high82.9Confident39 Ų3949.3 Ų49.319%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-125.6143.6-178-173.6-124.3-60.300111.7L791 S792 L823 R853L791-M851 CarbonylContact O-C 3.57Å; L791-M851 WeakPolarHBondContact O-CA 3.39Å; S792-M851 WeakPolarHBondContact OG-CG 3.43Å; L823-M851 HydrophobicContact CD1-CE 3.66Å; L823-M851 HydrophobicContact CD1-SD 3.66Å; L823-M851 HydrophobicContact CD2-CB 4.15Å; L823-M851 HydrophobicContact CD2-CE 4.31Å; L823-M851 HydrophobicContact CD2-CG 4.37Å; L823-M851 WeakPolarHBondContact CD2-O 3.45Å; L823-M851 HydrophobicContact CD2-SD 3.66Å; L823-M851 HydrophobicContact CG-SD 4.32Å; M851-R853 HydrophobicContact SD-CB 4.07Å
852I93.4Very high82.1Confident0 Ų053.6 Ų53.60%031%0.306CS..EExtended strand (participates in β ladder)trans-121.9130.1167.5-56.5177.1000108.1L791 L808 L819 A826 A834 C836 W854L791-I852 PolarHBondContact N-O 2.86Å; L791-I852 PolarHBondContact O-N 2.74Å; L808-I852 HydrophobicContact CD2-CD1 3.82Å; L808-I852 HydrophobicContact CD2-CG1 4.11Å; L808-I852 HydrophobicContact CG-CD1 4.05Å; L819-I852 HydrophobicContact CD1-CG2 3.59Å; A826-I852 HydrophobicContact CB-CG1 4.17Å; A834-I852 HydrophobicContact CB-CD1 4.33Å; A834-I852 HydrophobicContact CB-CG2 4.3Å; C836-I852 HydrophobicContact CB-CD1 4.23Å; C836-I852 HydrophobicContact CB-CG1 3.95Å; I852-W854 HydrophobicContact CB-CH2 3.91Å; I852-W854 HydrophobicContact CB-CZ2 4.12Å; I852-W854 HydrophobicContact CB-CZ3 4.35Å; I852-W854 HydrophobicContact CG2-CD2 4.12Å; I852-W854 HydrophobicContact CG2-CE3 4.35Å; I852-W854 HydrophobicContact CG2-CH2 3.58Å; I852-W854 HydrophobicContact CG2-CZ2 3.3Å; I852-W854 HydrophobicContact CG2-CZ3 4.1Å
853R92.4Very high81.1Confident66 Ų6657 Ų5725%0.24933%0.326CS..EExtended strand (participates in β ladder)trans-121.9133.2176.3-179-172.4-67.1152.2-3.8110.7I789 E790 D820 M851I789-R853 CarbonylContact O-C 3.52Å; I789-R853 WeakPolarHBondContact O-CA 3.33Å; E790-R853 HydrophobicContact CG-CB 4.36Å; E790-R853 HydrophobicContact CG-CG 3.94Å; E790-R853 IonicContact OE1-CZ 2.71Å; E790-R853 IonicContact OE1-NE 2.78Å; E790-R853 PolarHBondContact OE1-NE 3.27Å; E790-R853 IonicContact OE1-NH2 3.99Å; E790-R853 PolarHBondContact OE1-NH2 2.81Å; D820-R853 HydrophobicContact CB-CB 4.07Å; D820-R853 HydrophobicContact CB-CG 4.12Å; D820-R853 PolarHBondContact N-O 2.98Å; D820-R853 VanDerWaalsContact OD2-CD 3.29Å; D820-R853 WeakPolarHBondContact OD2-CD 3.38Å; D820-R853 IonicContact OD2-CZ 2.74Å; D820-R853 IonicContact OD2-NH1 3.87Å; D820-R853 PolarHBondContact OD2-NH1 2.86Å; M851-R853 HydrophobicContact SD-CB 4.07Å
854W92.3Very high80.2Confident1 Ų159 Ų590%0.00433%0.33CS..EExtended strand (participates in β ladder)trans-113.5140.6173.3-58.5-87.7000112.1T788 I789 L791 S810 F812 L817 E818 I852 V870T788-W854 CarbonylContact C-O 3.51Å; T788-W854 WeakPolarHBondContact CA-O 3.45Å; T788-W854 WeakPolarHBondContact CB-O 3.29Å; I789-W854 HydrophobicContact CB-CB 4.49Å; I789-W854 HydrophobicContact CB-CE3 4.12Å; I789-W854 HydrophobicContact CG2-CE3 3.95Å; I789-W854 HydrophobicContact CG2-CZ3 4.32Å; I789-W854 PolarHBondContact N-O 2.92Å; I789-W854 PolarHBondContact O-N 2.73Å; L791-W854 HydrophobicContact CB-CH2 4.15Å; L791-W854 HydrophobicContact CB-CZ3 3.79Å; L791-W854 HydrophobicContact CD2-CH2 4.17Å; S810-W854 VanDerWaalsContact OG-CH2 3.26Å; S810-W854 WeakPolarHBondContact OG-CH2 3.17Å; S810-W854 VanDerWaalsContact OG-CZ2 3.25Å; S810-W854 WeakPolarHBondContact OG-CZ2 3.47Å; F812-W854 HydrophobicContact CD1-CZ2 4.34Å; F812-W854 AromaticContact CD1-NE1 3.14Å; F812-W854 AromaticContact CD2-CD1 3.79Å; F812-W854 AromaticContact CD2-NE1 3.75Å; F812-W854 AromaticContact CE1-NE1 3.54Å; F812-W854 AromaticContact CG-CD1 3.76Å; F812-W854 AromaticContact CG-NE1 3.25Å; F812-W854 VanDerWaalsContact CG-NE1 3.25Å; F812-W854 AromaticContact CZ-NE1 3.99Å; L817-W854 HydrophobicContact CB-CB 4.11Å; L817-W854 HydrophobicContact CB-CG 4.34Å; L817-W854 HydrophobicContact CD1-CB 4.3Å; L817-W854 HydrophobicContact CD1-CG 4.29Å; L817-W854 HydrophobicContact CD2-CB 4.07Å; L817-W854 HydrophobicContact CG-CB 4.39Å; E818-W854 CarbonylContact O-C 3.44Å; E818-W854 VanDerWaalsContact O-CA 3.24Å; E818-W854 WeakPolarHBondContact O-CA 2.98Å; I852-W854 HydrophobicContact CB-CH2 3.91Å; I852-W854 HydrophobicContact CB-CZ2 4.12Å; I852-W854 HydrophobicContact CB-CZ3 4.35Å; I852-W854 HydrophobicContact CG2-CD2 4.12Å; I852-W854 HydrophobicContact CG2-CE3 4.35Å; I852-W854 HydrophobicContact CG2-CH2 3.58Å; I852-W854 HydrophobicContact CG2-CZ2 3.3Å; I852-W854 HydrophobicContact CG2-CZ3 4.1Å; W854-V870 HydrophobicContact CH2-CG1 3.73Å; W854-V870 HydrophobicContact CZ2-CG1 4Å; W854-V870 HydrophobicContact CZ3-CG1 4.1Å
855L88.9Confident79.6Confident61 Ų6157.6 Ų57.632%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-93137168.6-56.5177.7000109.3T788 L817 E818T788-L855 HydrophobicContact CG2-CD2 3.66Å; L817-L855 CarbonylContact C-O 3.5Å; L817-L855 VanDerWaalsContact CA-O 3.31Å; L817-L855 WeakPolarHBondContact CA-O 2.95Å; E818-L855 PolarHBondContact N-O 3.26Å; E818-L855 PolarHBondContact O-N 3.08Å
856V85.6Confident79.3Confident30 Ų3057 Ų5718%0.18231%0.305CS..EExtended strand (participates in β ladder)trans-80.2120.4173.2178.80000110.1V779 Q787 L816 L817V779-V856 HydrophobicContact CG1-CB 4.35Å; V779-V856 HydrophobicContact CG1-CG1 3.45Å; V779-V856 VanDerWaalsContact CG1-CG1 3.45Å; V779-V856 HydrophobicContact CG1-CG2 3.99Å; V779-V856 HydrophobicContact CG2-CG2 4.01Å; Q787-V856 HydrophobicContact CB-CB 4.1Å; Q787-V856 HydrophobicContact CB-CG2 3.82Å; Q787-V856 PolarHBondContact O-N 3.19Å; L816-V856 HydrophobicContact CD1-CG1 4.29Å; L816-V856 CarbonylContact O-C 3.54Å; L816-V856 WeakPolarHBondContact O-CA 3.41Å; L817-V856 HydrophobicContact CD2-CG2 3.94Å
857I77.7Confident79.1Confident75 Ų7558.2 Ų58.239%0.38531%0.309SS..  trans-103.3114171.9-50.8163.5000108.4L816 E818L816-I857 PolarHBondContact O-N 3.19Å; E818-I857 HydrophobicContact CB-CD1 3.22Å; E818-I857 HydrophobicContact CB-CG1 3.88Å; E818-I857 HydrophobicContact CG-CD1 4.26Å
858G65.2Low79Confident19 Ų1956.2 Ų56.220%0.19629%0.294CS..  trans179.779.517900000115.1V781 G782V781-G858 VanDerWaalsContact CG1-O 3.32Å; V781-G858 WeakPolarHBondContact CG1-O 3.32Å; G782-G858 PolarHBondContact N-O 3.37Å; G782-G858 VanDerWaalsContact N-O 3.16Å
859H62.2Low79Confident131 Ų13159.1 Ų59.161%0.60631%0.306SS*.SBendtrans-81.2-25162.5-67.582.3000111.4
860Q57.6Low79.1Confident122 Ų12254.9 Ų54.957%0.5729%0.286SS*.  trans-148.7127.3178.9-67-175-28.500111.4
861L60.8Low79.1Confident40 Ų4058.1 Ų58.121%0.20930%0.303CS..  trans-90121.8170-80.1162.6000110V781 L816 I896 Y1143V781-L861 HydrophobicContact CB-CD1 4.16Å; V781-L861 HydrophobicContact CG1-CD1 3.96Å; V781-L861 HydrophobicContact CG1-CG 3.93Å; V781-L861 HydrophobicContact CG2-CD1 3.81Å; V781-L861 HydrophobicContact CG2-CG 4.26Å; L816-L861 HydrophobicContact CD1-CD2 4.46Å; L861-I896 HydrophobicContact CD1-CG2 3.66Å; L861-Y1143 HydrophobicContact CD1-CD1 4.43Å
862T60.2Low79.2Confident142 Ų14256.3 Ų56.387%0.87129%0.294SS*.SBendtrans-83.5-21.116951.40000112.5
863V64.1Low79.1Confident71 Ų7158.3 Ų58.343%0.4331%0.307SS..SBendtrans-111.7128.7-175.3-176.60000110.4M865V863-M865 HydrophobicContact CB-CE 3.85Å; V863-M865 HydrophobicContact CG1-CE 3.64Å; V863-M865 PolarHBondContact O-N 3.02Å; V863-M865 VanDerWaalsContact O-N 3.15Å
864Q65.1Low78.9Confident79 Ų7955.1 Ų55.137%0.36930%0.295SS..  trans-79.492.3177.1-67.5-168.1-1400111K1142Q864-K1142 HydrophobicContact CB-CB 4.38Å; Q864-K1142 HydrophobicContact CB-CD 4.27Å; Q864-K1142 HydrophobicContact CB-CG 4.32Å
865M75Confident78.5Confident39 Ų3955.3 Ų55.319%0.19230%0.296CS..  trans-122.1135.3174.749.2177.581.300110.8L813 V863 I896L813-M865 HydrophobicContact CD2-CE 3.71Å; L813-M865 HydrophobicContact CD2-SD 3.59Å; L813-M865 VanDerWaalsContact CD2-SD 3.59Å; V863-M865 HydrophobicContact CB-CE 3.85Å; V863-M865 HydrophobicContact CG1-CE 3.64Å; V863-M865 PolarHBondContact O-N 3.02Å; V863-M865 VanDerWaalsContact O-N 3.15Å; M865-I896 HydrophobicContact CB-CD1 4.31Å; M865-I896 HydrophobicContact CG-CD1 3.52Å; M865-I896 HydrophobicContact SD-CD1 3.83Å
866A81.2Confident78.1Confident44 Ų4452.7 Ų52.736%0.36428%0.282SS..SBendtrans-85.9-32.5-18000000112.6I896 K1142A866-I896 PolarHBondContact O-N 3.41Å; A866-K1142 VanDerWaalsContact CB-O 3.25Å; A866-K1142 WeakPolarHBondContact CB-O 3.37Å
867K86Confident77.6Confident104 Ų10451.6 Ų51.645%0.45228%0.276SS..EExtended strand (participates in β ladder)trans-147.7155.9-174.8-52.5-173.2-177.9-175.10110Q893 V894 N895K867-Q893 HydrophobicContact CD-CG 4.18Å; K867-Q893 VanDerWaalsContact CD-NE2 3.33Å; K867-V894 CarbonylContact C-O 3.48Å; K867-V894 VanDerWaalsContact CA-O 3.24Å; K867-V894 WeakPolarHBondContact CA-O 3.34Å; K867-N895 WeakPolarHBondContact CD-OD1 3.29Å; K867-N895 WeakPolarHBondContact CE-OD1 3.41Å; K867-N895 WeakPolarHBondContact CG-OD1 3.04Å
868F88.2Confident77.3Confident10 Ų1048.8 Ų48.84%0.04426%0.263CS..EExtended strand (participates in β ladder)trans-137164.1168.769.4-85.2000110.4V779 I789 L816 L817 V870 V894 I896V779-F868 HydrophobicContact CB-CE1 4.45Å; V779-F868 HydrophobicContact CG2-CE1 4.32Å; V779-F868 HydrophobicContact CG2-CZ 4.19Å; I789-F868 HydrophobicContact CD1-CE2 4.28Å; I789-F868 HydrophobicContact CD1-CZ 4.11Å; L816-F868 HydrophobicContact CD2-CD1 3.45Å; L816-F868 VanDerWaalsContact CD2-CD1 3.45Å; L816-F868 HydrophobicContact CD2-CE1 3.31Å; L816-F868 HydrophobicContact CD2-CE2 4.46Å; L816-F868 HydrophobicContact CD2-CG 4.06Å; L816-F868 HydrophobicContact CD2-CZ 3.86Å; L817-F868 HydrophobicContact CD1-CE2 3.78Å; L817-F868 HydrophobicContact CD1-CZ 4.46Å; L817-F868 HydrophobicContact CG-CE2 4.36Å; F868-V870 HydrophobicContact CD2-CG2 4.36Å; F868-V870 HydrophobicContact CE2-CG2 4.05Å; F868-V894 HydrophobicContact CD1-CB 4.08Å; F868-V894 HydrophobicContact CD1-CG1 4.44Å; F868-V894 HydrophobicContact CD2-CB 4.43Å; F868-V894 HydrophobicContact CE1-CB 3.56Å; F868-V894 HydrophobicContact CE1-CG1 3.54Å; F868-V894 HydrophobicContact CE1-CG2 4.48Å; F868-V894 HydrophobicContact CE2-CB 3.91Å; F868-V894 HydrophobicContact CE2-CG1 4.44Å; F868-V894 HydrophobicContact CE2-CG2 4.02Å; F868-V894 HydrophobicContact CZ-CB 3.48Å; F868-V894 VanDerWaalsContact CZ-CB 3.48Å; F868-V894 HydrophobicContact CZ-CG1 3.56Å; F868-V894 HydrophobicContact CZ-CG2 3.92Å; F868-V894 PolarHBondContact N-O 2.86Å; F868-V894 PolarHBondContact O-N 3.5Å; F868-I896 HydrophobicContact CD1-CD1 3.85Å; F868-I896 HydrophobicContact CD1-CG1 3.83Å; F868-I896 HydrophobicContact CE1-CG1 4.12Å
869H90.2Very high77.4Confident75 Ų7551.3 Ų51.335%0.34727%0.272SS..EExtended strand (participates in β ladder)trans-121.6142.7-176.3-66.5-112.2000110.1E891 L892 Q893H869-E891 IonicContact CE1-OE1 2.69Å; H869-E891 PolarHBondContact CE1-OE1 3.48Å; H869-E891 VanDerWaalsContact CE1-OE1 3.26Å; H869-E891 IonicContact CG-OE1 3.07Å; H869-E891 IonicContact ND1-OE1 2.7Å; H869-E891 PolarHBondContact ND1-OE1 3.02Å; H869-L892 CarbonylContact C-O 3.57Å; H869-L892 WeakPolarHBondContact CA-O 3.27Å; H869-Q893 PolarHBondContact CE1-NE2 2.94Å; H869-Q893 PolarHBondContact NE2-NE2 2.81Å
870V91.8Very high77.9Confident2 Ų245.6 Ų45.61%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-116.6115.2166.5-179.50000107.2S810 N811 F812 L817 W854 F868 L892S810-V870 WeakPolarHBondContact OG-CG1 3.15Å; N811-V870 WeakPolarHBondContact O-CA 3.38Å; F812-V870 HydrophobicContact CB-CG2 4.47Å; L817-V870 HydrophobicContact CD1-CG2 3.89Å; W854-V870 HydrophobicContact CH2-CG1 3.73Å; W854-V870 HydrophobicContact CZ2-CG1 4Å; W854-V870 HydrophobicContact CZ3-CG1 4.1Å; F868-V870 HydrophobicContact CD2-CG2 4.36Å; F868-V870 HydrophobicContact CE2-CG2 4.05Å; V870-L892 HydrophobicContact CB-CB 4.29Å; V870-L892 PolarHBondContact N-O 3.28Å; V870-L892 PolarHBondContact O-N 2.03Å
871N92.6Very high78.7Confident70 Ų7040.8 Ų40.837%0.37423%0.225SC..EExtended strand (participates in β ladder)trans-110.4122.3-174.2-68.7-6.9000109.4S810 N811 E891S810-N871 CarbonylContact C-O 3.55Å; S810-N871 WeakPolarHBondContact CA-O 3.32Å; N811-N871 PolarHBondContact N-O 2.84Å; N811-N871 PolarHBondContact O-N 3.26Å; N811-N871 VanDerWaalsContact O-N 3.09Å; N871-E891 WeakPolarHBondContact OD1-CG 3.29Å
872S92.9Very high79.7Confident1 Ų139.4 Ų39.41%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-126.7133.2-174.4-42.30000111.3Y766 L791 V809 S810 T889 N890Y766-S872 PolarHBondContact OH-O 3.5Å; L791-S872 VanDerWaalsContact CD2-CB 3.44Å; L791-S872 WeakPolarHBondContact CD2-OG 3.23Å; V809-S872 CarbonylContact O-C 3.41Å; V809-S872 VanDerWaalsContact O-CA 3.23Å; V809-S872 WeakPolarHBondContact O-CA 3.48Å; S810-S872 PolarHBondContact OG-OG 3.01Å; S872-T889 CarbonylContact O-C 3.45Å; S872-T889 VanDerWaalsContact O-CA 3.31Å; S872-T889 WeakPolarHBondContact O-CA 3.4Å; S872-N890 PolarHBondContact N-O 3.15Å; S872-N890 PolarHBondContact O-N 3.42Å
873T90.6Very high80.8Confident42 Ų4233.7 Ų33.726%0.25818%0.181SC..EExtended strand (participates in β ladder)trans-132.9133-173.2-54.60000110.7V809 L888 T889V809-T873 PolarHBondContact N-O 3.18Å; V809-T873 PolarHBondContact O-N 3.27Å; T873-L888 CarbonylContact C-O 3.6Å; T873-L888 VanDerWaalsContact CA-O 3.28Å; T873-L888 WeakPolarHBondContact CA-O 3.44Å; T873-T889 HydrophobicContact CG2-CG2 3.9Å
874V88.9Confident81.9Confident0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-83.3119.5169.51770000109.4V764 V793 V795 A807 L808 I876 L888V764-V874 HydrophobicContact CG1-CG2 3.93Å; V793-V874 HydrophobicContact CG1-CG2 3.76Å; V795-V874 HydrophobicContact CG2-CG1 4.23Å; A807-V874 CarbonylContact O-C 3.44Å; A807-V874 WeakPolarHBondContact O-CA 3.43Å; L808-V874 HydrophobicContact CD1-CG2 4.25Å; V874-I876 HydrophobicContact CG1-CD1 4.2Å; V874-I876 HydrophobicContact CG1-CG1 3.93Å; V874-L888 HydrophobicContact CB-CD2 4.18Å; V874-L888 HydrophobicContact CG1-CD2 4.44Å; V874-L888 PolarHBondContact N-O 3.26Å
875L84.7Confident82.9Confident5 Ų530.9 Ų30.93%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-85.9130.1175.3-56.4-177.1000110.1I613 M614 F617 T806 A807 V809I613-L875 HydrophobicContact CG2-CD2 3.84Å; M614-L875 HydrophobicContact CE-CB 3.87Å; F617-L875 HydrophobicContact CB-CD1 4.11Å; F617-L875 HydrophobicContact CB-CD2 3.86Å; F617-L875 HydrophobicContact CD1-CD1 3.65Å; F617-L875 HydrophobicContact CD2-CD1 3.88Å; F617-L875 HydrophobicContact CD2-CD2 4.14Å; F617-L875 HydrophobicContact CE1-CD1 4.03Å; F617-L875 HydrophobicContact CE2-CD1 4.26Å; F617-L875 HydrophobicContact CG-CD1 3.58Å; F617-L875 HydrophobicContact CG-CD2 4.05Å; F617-L875 HydrophobicContact CG-CG 4.48Å; F617-L875 HydrophobicContact CZ-CD1 4.33Å; T806-L875 WeakPolarHBondContact CA-O 3.47Å; A807-L875 HydrophobicContact CB-CB 4.48Å; A807-L875 PolarHBondContact N-O 3.4Å; A807-L875 VanDerWaalsContact N-O 3.14Å; A807-L875 PolarHBondContact O-N 2Å; V809-L875 HydrophobicContact CB-CD1 4.48Å; V809-L875 HydrophobicContact CB-CG 4.5Å; V809-L875 HydrophobicContact CG2-CD1 3.48Å; V809-L875 VanDerWaalsContact CG2-CD1 3.48Å; V809-L875 HydrophobicContact CG2-CG 3.94Å
876I79.4Confident83.4Confident5 Ų530.9 Ų30.93%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-138.8145177.9-47.7154.5000109.2I762 A805 T806 V874 I882 L888I762-I876 HydrophobicContact CD1-CD1 3.21Å; I762-I876 HydrophobicContact CD1-CG1 4.2Å; A805-I876 WeakPolarHBondContact O-CA 3.26Å; T806-I876 HydrophobicContact CG2-CG1 4.1Å; T806-I876 HydrophobicContact CG2-CG2 4.46Å; V874-I876 HydrophobicContact CG1-CD1 4.2Å; V874-I876 HydrophobicContact CG1-CG1 3.93Å; I876-I882 HydrophobicContact CB-CD1 4.12Å; I876-I882 HydrophobicContact CG2-CD1 3.28Å; I876-L888 HydrophobicContact CD1-CD1 3.92Å; I876-L888 HydrophobicContact CD1-CD2 3.57Å; I876-L888 HydrophobicContact CD1-CG 4.43Å
877S74.3Confident83.6Confident7 Ų735.3 Ų35.35%0.04919%0.187CC..  trans-125.4131.4177.6-157.80000111.9N612 D705N612-S877 VanDerWaalsContact CG-OG 3.28Å; N612-S877 PolarHBondContact ND2-OG 3.43Å; N612-S877 PolarHBondContact OD1-OG 2.8Å; N612-S877 VanDerWaalsContact OD1-OG 3.11Å; D705-S877 VanDerWaalsContact CB-OG 3.24Å; D705-S877 WeakPolarHBondContact CB-OG 3.43Å; D705-S877 PolarHBondContact OD2-OG 2.91Å
878S73.2Confident83.7Confident16 Ų1631.1 Ų31.111%0.11217%0.169CC..  trans-160.9147168.2-170.30000110.4N880S878-N880 WeakPolarHBondContact CB-O 3.23Å; S878-N880 PolarHBondContact OG-N 3.21Å; S878-N880 PolarHBondContact OG-O 3.29Å
879N67.3Low83.7Confident72 Ų7234.6 Ų34.639%0.38519%0.191SC..SBendtrans-71.6-18.2167.3-170.434.2000113T707 E708T707-N879 PolarHBondContact OG1-N 2.82Å; T707-N879 VanDerWaalsContact OG1-N 3.14Å; E708-N879 HydrophobicContact CG-CB 3.85Å
880N71.7Confident83.8Confident12 Ų1232.9 Ų32.96%0.06419%0.185CC..SBendtrans-107.7157.6179.3-66.8-53.3000110.9Q757 C758 S878 I882Q757-N880 VanDerWaalsContact CG-CG 3.5Å; Q757-N880 WeakPolarHBondContact CG-OD1 3.38Å; Q757-N880 PolarHBondContact NE2-OD1 3.47Å; C758-N880 PolarHBondContact N-ND2 3.31Å; C758-N880 VanDerWaalsContact N-ND2 3.11Å; C758-N880 WeakPolarHBondContact O-CB 3.4Å; C758-N880 VanDerWaalsContact O-CG 3.23Å; C758-N880 PolarHBondContact O-ND2 3.25Å; S878-N880 WeakPolarHBondContact CB-O 3.23Å; S878-N880 PolarHBondContact OG-N 3.21Å; S878-N880 PolarHBondContact OG-O 3.29Å; N880-I882 PolarHBondContact O-N 3.26Å
881P75.2Confident83.7Confident21 Ų2139 Ų3914%0.13621%0.213CC..  trans-57.2140.9174.2-1727.9000110.7Y602 I608 I609Y602-P881 HydrophobicContact CE2-CB 3.97Å; Y602-P881 HydrophobicContact CE2-CG 4.35Å; Y602-P881 PolarHBondContact OH-O 2.97Å; I608-P881 HydrophobicContact CG2-CB 3.5Å; I608-P881 VanDerWaalsContact CG2-CB 3.5Å; I609-P881 WeakPolarHBondContact O-CA 3.43Å
882I80.3Confident83.7Confident10 Ų1036.4 Ų36.45%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-109130.8179.2-48.9-175.8000108.2I609 P760 I762 I876 N880 V884I609-I882 PolarHBondContact N-O 2.77Å; I609-I882 PolarHBondContact O-N 3.15Å; P760-I882 HydrophobicContact CB-CG2 4.49Å; P760-I882 HydrophobicContact CG-CB 4.41Å; P760-I882 HydrophobicContact CG-CD1 4.46Å; P760-I882 HydrophobicContact CG-CG1 3.94Å; P760-I882 HydrophobicContact CG-CG2 4.17Å; I762-I882 HydrophobicContact CG1-CG2 4.24Å; I876-I882 HydrophobicContact CB-CD1 4.12Å; I876-I882 HydrophobicContact CG2-CD1 3.28Å; N880-I882 PolarHBondContact O-N 3.26Å; I882-V884 HydrophobicContact CG2-CG2 4.32Å
883Q84Confident83.6Confident22 Ų2240.6 Ų40.610%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-86.4120.3174-170.5-179.41.500109.8Y602 S606 P760 T761 I762Y602-Q883 HydrophobicContact CD1-CB 3.74Å; Y602-Q883 HydrophobicContact CD1-CG 4.18Å; Y602-Q883 HydrophobicContact CE1-CB 3.96Å; S606-Q883 VanDerWaalsContact CB-CG 3.42Å; S606-Q883 VanDerWaalsContact OG-CD 3.31Å; S606-Q883 WeakPolarHBondContact OG-CG 3.33Å; S606-Q883 PolarHBondContact OG-NE2 2.89Å; P760-Q883 PolarHBondContact O-N 3.13Å; P760-Q883 VanDerWaalsContact O-N 3.14Å; T761-Q883 WeakPolarHBondContact CA-O 3.29Å; T761-Q883 HydrophobicContact CG2-CB 3.91Å; T761-Q883 HydrophobicContact CG2-CG 4.02Å; I762-Q883 PolarHBondContact N-O 2.93Å
884V86.4Confident83.6Confident3 Ų338.6 Ų38.62%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-113.7122.1-179-175.90000111.1N607 I609 I762 V764 I882 L888N607-V884 PolarHBondContact N-O 3.08Å; N607-V884 PolarHBondContact O-N 2.79Å; I609-V884 HydrophobicContact CD1-CB 4.41Å; I609-V884 HydrophobicContact CD1-CG2 3.62Å; I609-V884 HydrophobicContact CG1-CG2 4.19Å; I762-V884 HydrophobicContact CD1-CG2 4.14Å; I762-V884 HydrophobicContact CG1-CB 4.48Å; I762-V884 HydrophobicContact CG1-CG1 4.45Å; I762-V884 HydrophobicContact CG1-CG2 3.99Å; V764-V884 HydrophobicContact CG2-CG1 4.33Å; I882-V884 HydrophobicContact CG2-CG2 4.32Å; V884-L888 HydrophobicContact CG1-CD2 3.72Å; V884-L888 HydrophobicContact CG1-CG 4.16Å; V884-L888 HydrophobicContact CG2-CD2 4.22Å; V884-L888 HydrophobicContact CG2-CG 4.47Å
885E87.3Confident83.6Confident89 Ų8939.9 Ų39.942%0.41621%0.213SC..EExtended strand (participates in β ladder)trans-94.6107.6166.8-166.5-174.2178.900109.2I762 R763 V764 I798I762-E885 PolarHBondContact O-N 3.02Å; R763-E885 WeakPolarHBondContact CA-O 3.37Å; R763-E885 HydrophobicContact CB-CB 4.28Å; R763-E885 HydrophobicContact CG-CB 4.34Å; R763-E885 IonicContact CZ-OE1 3.52Å; R763-E885 IonicContact CZ-OE2 3.88Å; R763-E885 VanDerWaalsContact CZ-OE2 3.22Å; R763-E885 IonicContact NE-OE1 2.7Å; R763-E885 IonicContact NE-OE2 3.69Å; R763-E885 PolarHBondContact NE-OE2 3.05Å; R763-E885 IonicContact NH2-OE1 3.57Å; R763-E885 PolarHBondContact NH2-OE1 3.24Å; R763-E885 IonicContact NH2-OE2 3.22Å; R763-E885 PolarHBondContact NH2-OE2 3.19Å; V764-E885 PolarHBondContact N-O 2.62Å; I798-E885 HydrophobicContact CD1-CB 4.34Å; I798-E885 WeakPolarHBondContact CD1-OE2 3.47Å
886G84.7Confident83.6Confident39 Ų3939.8 Ų39.840%0.40221%0.213SC..SBendtrans116.9-167.2-173.500000112.8
887Q87Confident83.9Confident136 Ų13642.2 Ų42.264%0.63622%0.223SC*.  trans-108.5141.7174.3-68.2-177.5-18.600109.4V764 Y766V764-Q887 WeakPolarHBondContact CG1-O 3.31Å; Y766-Q887 WeakPolarHBondContact CE2-O 3.47Å
888L87.1Confident84.2Confident17 Ų1742.4 Ų42.49%0.08922%0.223CC..SBendtrans-85.3-10174.5-69.4-166.8000113.7I609 I613 V764 Y766 T873 V874 I876 V884I609-L888 HydrophobicContact CD1-CD1 3.12Å; I609-L888 HydrophobicContact CD1-CG 3.8Å; I613-L888 HydrophobicContact CD1-CD1 3.33Å; V764-L888 HydrophobicContact CG2-CD2 3.8Å; Y766-L888 VanDerWaalsContact OH-C 3.27Å; Y766-L888 PolarHBondContact OH-O 3.23Å; T873-L888 CarbonylContact C-O 3.6Å; T873-L888 VanDerWaalsContact CA-O 3.28Å; T873-L888 WeakPolarHBondContact CA-O 3.44Å; V874-L888 HydrophobicContact CB-CD2 4.18Å; V874-L888 HydrophobicContact CG1-CD2 4.44Å; V874-L888 PolarHBondContact N-O 3.26Å; I876-L888 HydrophobicContact CD1-CD1 3.92Å; I876-L888 HydrophobicContact CD1-CD2 3.57Å; I876-L888 HydrophobicContact CD1-CG 4.43Å; V884-L888 HydrophobicContact CG1-CD2 3.72Å; V884-L888 HydrophobicContact CG1-CG 4.16Å; V884-L888 HydrophobicContact CG2-CD2 4.22Å; V884-L888 HydrophobicContact CG2-CG 4.47Å
889T88.9Confident84.6Confident82 Ų8243 Ų4350%0.50323%0.225SC..EExtended strand (participates in β ladder)trans-124.9142.4-176.652.50000109.7S872 T873S872-T889 CarbonylContact O-C 3.45Å; S872-T889 VanDerWaalsContact O-CA 3.31Å; S872-T889 WeakPolarHBondContact O-CA 3.4Å; T873-T889 HydrophobicContact CG2-CG2 3.9Å
890N91.7Very high85.4Confident39 Ų3939.8 Ų39.821%0.20921%0.208CC..EExtended strand (participates in β ladder)trans-133.1124.7174.3176.178.8000109.4Y766 S872Y766-N890 HydrophobicContact CD1-CB 3.6Å; Y766-N890 HydrophobicContact CD2-CB 4Å; Y766-N890 HydrophobicContact CE1-CB 3.6Å; Y766-N890 HydrophobicContact CE2-CB 4.01Å; Y766-N890 HydrophobicContact CG-CB 3.81Å; S872-N890 PolarHBondContact N-O 3.15Å; S872-N890 PolarHBondContact O-N 3.42Å
891E90.2Very high86.1Confident130 Ų13043.1 Ų43.161%0.60723%0.226SC*.EExtended strand (participates in β ladder)trans-110.7114.9177.3175.8171.6-168.400109.9H869 N871H869-E891 IonicContact CE1-OE1 2.69Å; H869-E891 PolarHBondContact CE1-OE1 3.48Å; H869-E891 VanDerWaalsContact CE1-OE1 3.26Å; H869-E891 IonicContact CG-OE1 3.07Å; H869-E891 IonicContact ND1-OE1 2.7Å; H869-E891 PolarHBondContact ND1-OE1 3.02Å; N871-E891 WeakPolarHBondContact OD1-CG 3.29Å
892L92.4Very high86.8Confident17 Ų1742.5 Ų42.59%0.08922%0.222CC..EExtended strand (participates in β ladder)trans-104.6109.4177.2177.766000110.4V768 V770 P777 I789 H869 V870 V894V768-L892 HydrophobicContact CG1-CD1 4.03Å; V768-L892 HydrophobicContact CG1-CD2 3.75Å; V768-L892 HydrophobicContact CG1-CG 4.48Å; V770-L892 HydrophobicContact CG1-CD1 4.49Å; P777-L892 HydrophobicContact CG-CD1 4.18Å; I789-L892 HydrophobicContact CG2-CD2 3.82Å; H869-L892 CarbonylContact C-O 3.57Å; H869-L892 WeakPolarHBondContact CA-O 3.27Å; V870-L892 HydrophobicContact CB-CB 4.29Å; V870-L892 PolarHBondContact N-O 3.28Å; V870-L892 PolarHBondContact O-N 2.03Å; L892-V894 HydrophobicContact CD2-CG2 4.11Å; L892-V894 HydrophobicContact CG-CG2 3.88Å
893Q90.4Very high87.2Confident88 Ų8844 Ų4441%0.41123%0.233SC..EExtended strand (participates in β ladder)trans-89.9128.1172.7-173.4174.646.700111.2K867 H869K867-Q893 HydrophobicContact CD-CG 4.18Å; K867-Q893 VanDerWaalsContact CD-NE2 3.33Å; H869-Q893 PolarHBondContact CE1-NE2 2.94Å; H869-Q893 PolarHBondContact NE2-NE2 2.81Å
894V90.8Very high87.6Confident0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-125.3128.4-177.2-173.40000110.9P777 V779 I789 K867 F868 L892P777-V894 HydrophobicContact CB-CG1 4.5Å; P777-V894 HydrophobicContact CB-CG2 4.28Å; V779-V894 HydrophobicContact CB-CG1 4.25Å; V779-V894 HydrophobicContact CG2-CG1 3.68Å; I789-V894 HydrophobicContact CD1-CG2 4.43Å; K867-V894 CarbonylContact C-O 3.48Å; K867-V894 VanDerWaalsContact CA-O 3.24Å; K867-V894 WeakPolarHBondContact CA-O 3.34Å; F868-V894 HydrophobicContact CD1-CB 4.08Å; F868-V894 HydrophobicContact CD1-CG1 4.44Å; F868-V894 HydrophobicContact CD2-CB 4.43Å; F868-V894 HydrophobicContact CE1-CB 3.56Å; F868-V894 HydrophobicContact CE1-CG1 3.54Å; F868-V894 HydrophobicContact CE1-CG2 4.48Å; F868-V894 HydrophobicContact CE2-CB 3.91Å; F868-V894 HydrophobicContact CE2-CG1 4.44Å; F868-V894 HydrophobicContact CE2-CG2 4.02Å; F868-V894 HydrophobicContact CZ-CB 3.48Å; F868-V894 VanDerWaalsContact CZ-CB 3.48Å; F868-V894 HydrophobicContact CZ-CG1 3.56Å; F868-V894 HydrophobicContact CZ-CG2 3.92Å; F868-V894 PolarHBondContact N-O 2.86Å; F868-V894 PolarHBondContact O-N 3.5Å; L892-V894 HydrophobicContact CD2-CG2 4.11Å; L892-V894 HydrophobicContact CG-CG2 3.88Å
895N88.2Confident87.9Confident28 Ų2849.4 Ų49.415%0.1526%0.258CS..EExtended strand (participates in β ladder)trans-82.5148.3177.4-62.4-43.6000111.4N775 P777 V778 V779 K867N775-N895 PolarHBondContact O-ND2 3.19Å; P777-N895 PolarHBondContact O-N 2.78Å; V778-N895 CarbonylContact C-O 3.49Å; V778-N895 WeakPolarHBondContact CA-O 3.2Å; V778-N895 HydrophobicContact CG2-CB 4.34Å; V779-N895 PolarHBondContact N-O 3.24Å; K867-N895 WeakPolarHBondContact CD-OD1 3.29Å; K867-N895 WeakPolarHBondContact CE-OD1 3.41Å; K867-N895 WeakPolarHBondContact CG-OD1 3.04Å
896I85.7Confident88.1Confident3 Ų345.5 Ų45.52%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-109.9128.7178.7-62.3171000110.1V781 L816 L861 M865 A866 F868 G1144V781-I896 HydrophobicContact CG2-CG2 3.96Å; L816-I896 HydrophobicContact CD2-CD1 4.12Å; L816-I896 HydrophobicContact CD2-CG1 4.49Å; L861-I896 HydrophobicContact CD1-CG2 3.66Å; M865-I896 HydrophobicContact CB-CD1 4.31Å; M865-I896 HydrophobicContact CG-CD1 3.52Å; M865-I896 HydrophobicContact SD-CD1 3.83Å; A866-I896 PolarHBondContact O-N 3.41Å; F868-I896 HydrophobicContact CD1-CD1 3.85Å; F868-I896 HydrophobicContact CD1-CG1 3.83Å; F868-I896 HydrophobicContact CE1-CG1 4.12Å; I896-G1144 PolarHBondContact O-N 2.98Å; I896-G1144 VanDerWaalsContact O-N 3.15Å
897K84.6Confident88.5Confident56 Ų5646.6 Ų46.624%0.24324%0.238CC..EExtended strand (participates in β ladder)trans-127141.5171.9-71.9-173.9173.7173.70111.9D773 V778 V779 Y780 V781 G1144D773-K897 WeakPolarHBondContact OD2-CE 3.38Å; D773-K897 IonicContact OD2-NZ 3.25Å; D773-K897 PolarHBondContact OD2-NZ 2.69Å; V778-K897 HydrophobicContact CG2-CB 4.31Å; V778-K897 HydrophobicContact CG2-CD 4.05Å; V778-K897 HydrophobicContact CG2-CG 3.99Å; V779-K897 PolarHBondContact O-N 3.26Å; Y780-K897 CarbonylContact C-O 3.57Å; Y780-K897 WeakPolarHBondContact CA-O 3.38Å; Y780-K897 HydrophobicContact CD1-CB 4.02Å; Y780-K897 HydrophobicContact CE1-CB 4.21Å; Y780-K897 HydrophobicContact CE1-CD 4.18Å; V781-K897 PolarHBondContact N-O 2.7Å; K897-G1144 CarbonylContact C-O 3.58Å; K897-G1144 VanDerWaalsContact CA-O 3.26Å; K897-G1144 WeakPolarHBondContact CA-O 3.41Å
898M82.3Confident88.7Confident10 Ų1040.9 Ų40.95%0.04921%0.212CC..EExtended strand (participates in β ladder)trans-110.6130.4173.9-172.3-179.7-171.600110.4V900 L951 Y1143 G1144 I1145 D1146M898-V900 HydrophobicContact CG-CG1 4.13Å; M898-V900 HydrophobicContact SD-CG1 4.32Å; M898-L951 WeakPolarHBondContact CE-O 3.33Å; M898-Y1143 HydrophobicContact CB-CD2 3.84Å; M898-Y1143 HydrophobicContact CB-CE2 3.66Å; M898-Y1143 HydrophobicContact CG-CE2 4.39Å; M898-Y1143 HydrophobicContact SD-CE2 3.86Å; M898-G1144 PolarHBondContact N-O 3.18Å; M898-I1145 HydrophobicContact CB-CD1 4.21Å; M898-I1145 WeakPolarHBondContact O-CA 3.28Å; M898-D1146 PolarHBondContact O-N 3.03Å
899I81.4Confident88.7Confident28 Ų2844.3 Ų44.314%0.14423%0.228CC..EExtended strand (participates in β ladder)trans-89.6127.9178.9-37.8174.3000109.9Y780 D783 R947 D1146Y780-I899 HydrophobicContact CD1-CD1 4.25Å; Y780-I899 HydrophobicContact CD1-CG1 4.1Å; Y780-I899 HydrophobicContact CG-CD1 4.48Å; D783-I899 HydrophobicContact CB-CD1 4.1Å; I899-R947 VanDerWaalsContact CB-NH1 3.32Å; I899-R947 WeakPolarHBondContact O-CD 3.32Å; I899-D1146 HydrophobicContact CG2-CB 4.31Å
900V83.5Confident88.8Confident6 Ų643 Ų434%0.03622%0.22CC..  trans-135.2162.4-178.3-48.90000111.4M898 V902 S950 I952 W1137 I1145 D1146 L1147M898-V900 HydrophobicContact CG-CG1 4.13Å; M898-V900 HydrophobicContact SD-CG1 4.32Å; V900-V902 HydrophobicContact CG2-CG2 4.17Å; V900-S950 WeakPolarHBondContact CG1-OG 3.35Å; V900-I952 HydrophobicContact CB-CD1 4.15Å; V900-I952 HydrophobicContact CG1-CD1 4Å; V900-I952 HydrophobicContact CG1-CG1 4.06Å; V900-I952 HydrophobicContact CG2-CD1 4.3Å; V900-W1137 HydrophobicContact CG2-CH2 4.41Å; V900-I1145 HydrophobicContact CB-CG2 4.49Å; V900-I1145 HydrophobicContact CG1-CD1 4.19Å; V900-I1145 HydrophobicContact CG1-CG2 4.39Å; V900-I1145 HydrophobicContact CG2-CG2 3.36Å; V900-D1146 PolarHBondContact N-O 3.25Å; V900-L1147 HydrophobicContact CG2-CD1 3.59Å; V900-L1147 HydrophobicContact CG2-CD2 4.08Å; V900-L1147 HydrophobicContact CG2-CG 3.54Å
901N85.6Confident88.6Confident81 Ų8145.1 Ų45.143%0.43323%0.232SC..  trans-135.7103.2172.2-175.4-4000108.5N945 L946 R947N901-N945 CarbonylContact O-C 3.58Å; N901-N945 PolarHBondContact O-OD1 3.14Å; N901-N945 VanDerWaalsContact O-OD1 3.07Å; N901-L946 HydrophobicContact CB-CB 4.31Å; N901-L946 PolarHBondContact O-N 3.09Å; N901-R947 HydrophobicContact CB-CB 3.97Å
902V89.7Confident88.4Confident8 Ų840.9 Ų40.95%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-120.8129.9-174-179.30000110V900 V943 R944 N945 I952 L1099 W1137 L1147V900-V902 HydrophobicContact CG2-CG2 4.17Å; V902-V943 HydrophobicContact CG1-CG1 3.96Å; V902-R944 WeakPolarHBondContact CA-O 3.31Å; V902-N945 HydrophobicContact CG2-CB 4.46Å; V902-I952 HydrophobicContact CG2-CD1 3.72Å; V902-L1099 HydrophobicContact CG1-CD2 3.95Å; V902-L1099 HydrophobicContact CG2-CD2 4.17Å; V902-W1137 HydrophobicContact CB-CD2 4.23Å; V902-W1137 HydrophobicContact CB-CE3 4.05Å; V902-W1137 HydrophobicContact CB-CH2 4.22Å; V902-W1137 HydrophobicContact CB-CZ2 4.37Å; V902-W1137 HydrophobicContact CB-CZ3 4.07Å; V902-W1137 HydrophobicContact CG1-CD2 3.62Å; V902-W1137 HydrophobicContact CG1-CE3 3.93Å; V902-W1137 HydrophobicContact CG1-CG 4.03Å; V902-W1137 HydrophobicContact CG1-CH2 4.5Å; V902-W1137 HydrophobicContact CG1-CZ2 4.22Å; V902-W1137 HydrophobicContact CG1-CZ3 4.37Å; V902-W1137 HydrophobicContact CG2-CE3 4.42Å; V902-W1137 HydrophobicContact CG2-CH2 3.69Å; V902-W1137 HydrophobicContact CG2-CZ2 3.8Å; V902-W1137 HydrophobicContact CG2-CZ3 4.04Å; V902-L1147 HydrophobicContact CB-CD2 4.08Å; V902-L1147 VanDerWaalsContact N-CD2 3.33Å
903S90Very high88.2Confident43 Ų4340.2 Ų40.230%0.30121%0.211SC..EExtended strand (participates in β ladder)trans-108.4132.7175.363.80000110.9R944S903-R944 PolarHBondContact N-O 3.29Å; S903-R944 PolarHBondContact O-N 3.31Å; S903-R944 PolarHBondContact OG-O 3.25Å
904V92.2Very high87.9Confident18 Ų1842.5 Ų42.511%0.10922%0.217CC..EExtended strand (participates in β ladder)trans-109.1134.6169.1-175.70000107.7T942 V943 L957 A1135 W1137 A1153 D1155V904-T942 WeakPolarHBondContact CA-O 3.16Å; V904-V943 HydrophobicContact CG1-CG2 4.48Å; V904-V943 HydrophobicContact CG2-CG2 4.36Å; V904-L957 HydrophobicContact CG1-CD1 4.32Å; V904-A1135 HydrophobicContact CG1-CB 4.22Å; V904-W1137 HydrophobicContact CG2-CB 3.35Å; V904-W1137 HydrophobicContact CG2-CG 4.31Å; V904-A1153 HydrophobicContact CG2-CB 3.95Å; V904-D1155 HydrophobicContact CB-CB 4.36Å; V904-D1155 HydrophobicContact CG1-CB 4.1Å
905F92.4Very high87.4Confident119 Ų11942.7 Ų42.752%0.52222%0.218SC..EExtended strand (participates in β ladder)trans-143.5128.2-179.1176.7-105.4000110.7I907 T942 D1155F905-I907 HydrophobicContact CD1-CG2 4.45Å; F905-I907 HydrophobicContact CE1-CG2 3.48Å; F905-I907 VanDerWaalsContact CE1-CG2 3.48Å; F905-I907 HydrophobicContact CZ-CG2 3.52Å; F905-T942 PolarHBondContact N-O 3.49Å; F905-T942 PolarHBondContact O-N 3.32Å; F905-D1155 VanDerWaalsContact CA-OD2 3.27Å; F905-D1155 WeakPolarHBondContact CA-OD2 3.45Å
906G91.6Very high86.6Confident7 Ų742.6 Ų42.67%0.07222%0.219CC..EExtended strand (participates in β ladder)trans-119.6152.3178.900000114.3K940 D1155 I1157G906-K940 CarbonylContact C-O 3.59Å; G906-K940 VanDerWaalsContact CA-O 3.23Å; G906-K940 WeakPolarHBondContact CA-O 3.25Å; G906-D1155 PolarHBondContact N-OD2 2.7Å; G906-I1157 WeakPolarHBondContact O-CG2 3.45Å
907I93Very high85.7Confident63 Ų6343.2 Ų43.232%0.32323%0.227SC..EExtended strand (participates in β ladder)trans-143.9157.6171.659.5175.6000112.1F905 G939 K940F905-I907 HydrophobicContact CD1-CG2 4.45Å; F905-I907 HydrophobicContact CE1-CG2 3.48Å; F905-I907 VanDerWaalsContact CE1-CG2 3.48Å; F905-I907 HydrophobicContact CZ-CG2 3.52Å; I907-G939 CarbonylContact O-C 3.58Å; I907-G939 WeakPolarHBondContact O-CA 3.29Å; I907-K940 HydrophobicContact CD1-CB 4.39Å; I907-K940 HydrophobicContact CD1-CD 4.18Å; I907-K940 HydrophobicContact CG1-CB 3.78Å; I907-K940 HydrophobicContact CG1-CD 4.38Å; I907-K940 PolarHBondContact N-O 3.04Å; I907-K940 PolarHBondContact O-N 2.67Å
908T90.9Very high84.9Confident16 Ų1645.4 Ų45.410%0.09824%0.241CC..EExtended strand (participates in β ladder)trans-125.5137.9172.656.80000113.2P910 N911 V938 L1133 I1157 V1159T908-P910 CarbonylContact O-C 3.59Å; T908-N911 PolarHBondContact O-N 2.81Å; T908-N911 VanDerWaalsContact OG1-CA 3.29Å; T908-N911 WeakPolarHBondContact OG1-CA 3.06Å; T908-N911 WeakPolarHBondContact OG1-CB 3.26Å; T908-V938 CarbonylContact C-O 3.59Å; T908-V938 VanDerWaalsContact CA-O 3.27Å; T908-V938 WeakPolarHBondContact CA-O 3.14Å; T908-L1133 HydrophobicContact CG2-CD1 4.34Å; T908-I1157 HydrophobicContact CG2-CD1 3.36Å; T908-I1157 HydrophobicContact CG2-CG1 4.01Å; T908-V1159 HydrophobicContact CG2-CG2 3.57Å
909E88Confident84.1Confident89 Ų8948.7 Ų48.742%0.41626%0.261SS..EExtended strand (participates in β ladder)trans-124115.3177.6-66.9171.8-155.800111.5V938 K940E909-V938 HydrophobicContact CB-CB 4.28Å; E909-V938 PolarHBondContact N-O 3.14Å; E909-V938 PolarHBondContact O-N 2.85Å; E909-K940 VanDerWaalsContact CD-NZ 3.3Å; E909-K940 IonicContact OE1-NZ 3.33Å; E909-K940 PolarHBondContact OE1-NZ 3.42Å; E909-K940 IonicContact OE2-NZ 3.89Å; E909-K940 PolarHBondContact OE2-NZ 2.77Å
910P89.7Confident83.3Confident54 Ų5450.1 Ų50.135%0.35127%0.274SS..SBendcis-71.9153.5-15.633.7-32.9000110.8T908 T912 I913 V935 R936T908-P910 CarbonylContact O-C 3.59Å; P910-T912 PolarHBondContact O-N 3.03Å; P910-I913 HydrophobicContact CG-CG1 4.49Å; P910-V935 HydrophobicContact CG-CG1 3.62Å; P910-R936 VanDerWaalsContact CD-O 3.29Å; P910-R936 WeakPolarHBondContact CD-O 3.35Å
911N87.3Confident82.3Confident84 Ų8454.8 Ų54.845%0.44930%0.299SS..SBendtrans-80.4-5.4170.768.8-8.9000113.1T908 H1160T908-N911 PolarHBondContact O-N 2.81Å; T908-N911 VanDerWaalsContact OG1-CA 3.29Å; T908-N911 WeakPolarHBondContact OG1-CA 3.06Å; T908-N911 WeakPolarHBondContact OG1-CB 3.26Å; N911-H1160 PolarHBondContact O-N 2.78Å
912T87Confident81.3Confident40 Ų4052.9 Ų52.925%0.24530%0.298CS..EExtended strand (participates in β ladder)trans-130.9129.6-176.5-56.50000110.2P910 Y914 H1160 F1162P910-T912 PolarHBondContact O-N 3.03Å; T912-Y914 HydrophobicContact CG2-CE2 3.88Å; T912-H1160 CarbonylContact C-O 3.29Å; T912-H1160 VanDerWaalsContact CA-O 3.26Å; T912-H1160 WeakPolarHBondContact CA-O 3.24Å; T912-F1162 HydrophobicContact CG2-CD2 3.56Å; T912-F1162 HydrophobicContact CG2-CE2 3.49Å; T912-F1162 VanDerWaalsContact CG2-CE2 3.49Å
913I87.3Confident80.2Confident3 Ų356.2 Ų56.22%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-134.8146.1-174.1-51.1171.7000108.8P910 V935 I937 L1114 V1159 H1160 I1161 F1162P910-I913 HydrophobicContact CG-CG1 4.49Å; I913-V935 HydrophobicContact CG2-CB 4.23Å; I913-V935 HydrophobicContact CG2-CG2 4.37Å; I913-I937 HydrophobicContact CD1-CD1 3.2Å; I913-I937 HydrophobicContact CD1-CG1 3.32Å; I913-I937 HydrophobicContact CG1-CG1 4.43Å; I913-L1114 HydrophobicContact CD1-CD2 4.47Å; I913-L1114 HydrophobicContact CG2-CD2 3.98Å; I913-V1159 HydrophobicContact CD1-CG1 3.73Å; I913-V1159 HydrophobicContact CG1-CG1 4.28Å; I913-H1160 PolarHBondContact N-O 3.33Å; I913-I1161 CarbonylContact O-C 3.56Å; I913-I1161 WeakPolarHBondContact O-CA 3.28Å; I913-F1162 PolarHBondContact O-N 2.77Å
914Y83.9Confident79.2Confident137 Ų13760 Ų6054%0.53734%0.341SS..EExtended strand (participates in β ladder)trans-120.1139.1177.2-59.4-92.4000109.8T912 F1162T912-Y914 HydrophobicContact CG2-CE2 3.88Å; Y914-F1162 CarbonylContact C-O 3.59Å; Y914-F1162 VanDerWaalsContact CA-O 3.29Å; Y914-F1162 WeakPolarHBondContact CA-O 3.22Å; Y914-F1162 HydrophobicContact CD1-CB 3.53Å; Y914-F1162 HydrophobicContact CD1-CG 4.3Å; Y914-F1162 HydrophobicContact CE1-CB 3.71Å; Y914-F1162 HydrophobicContact CE1-CD2 4.08Å; Y914-F1162 AromaticContact CE1-CG 3.98Å; Y914-F1162 HydrophobicContact CE1-CG 3.98Å; Y914-F1162 HydrophobicContact CG-CB 4.4Å
915F81.5Confident78.2Confident4 Ų461.7 Ų61.72%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-127149.4169.374.2-85000110.2E1116 M1119 R1120 F1123 I1161 F1162 N1163 N1164F915-E1116 HydrophobicContact CB-CG 4.2Å; F915-M1119 HydrophobicContact CD1-CB 3.9Å; F915-M1119 HydrophobicContact CD1-CG 4.37Å; F915-M1119 HydrophobicContact CD2-CB 3.8Å; F915-M1119 HydrophobicContact CE1-CB 3.91Å; F915-M1119 HydrophobicContact CE1-CG 4.43Å; F915-M1119 HydrophobicContact CE1-SD 4.39Å; F915-M1119 HydrophobicContact CE2-CB 3.81Å; F915-M1119 WeakPolarHBondContact CE2-O 3.32Å; F915-M1119 HydrophobicContact CG-CB 3.85Å; F915-M1119 HydrophobicContact CZ-CB 3.86Å; F915-R1120 HydrophobicContact CD2-CG 3.88Å; F915-R1120 HydrophobicContact CE2-CG 4.34Å; F915-F1123 HydrophobicContact CZ-CB 4.3Å; F915-I1161 HydrophobicContact CD1-CG2 3.77Å; F915-I1161 HydrophobicContact CE1-CG2 4.01Å; F915-F1162 VanDerWaalsContact CD1-O 3.29Å; F915-F1162 WeakPolarHBondContact CD1-O 3.43Å; F915-F1162 PolarHBondContact N-O 2.62Å; F915-N1163 HydrophobicContact CD1-CB 4.47Å; F915-N1163 HydrophobicContact CE1-CB 3.72Å; F915-N1163 HydrophobicContact CE2-CB 4.08Å; F915-N1163 HydrophobicContact CZ-CB 3.5Å; F915-N1163 PolarHBondContact O-OD1 3.45Å; F915-N1164 PolarHBondContact O-N 2.69Å
916S71.5Confident77.5Confident25 Ų2556.8 Ų56.818%0.17533%0.333CS..  trans-148.3162.6176.574.50000112.8R1120 N1164 E1166S916-R1120 PolarHBondContact O-NE 2.89Å; S916-N1164 WeakPolarHBondContact CB-O 3.4Å; S916-E1166 VanDerWaalsContact CB-O 3.31Å; S916-E1166 WeakPolarHBondContact CB-O 3.21Å; S916-E1166 PolarHBondContact OG-O 2.88Å
917G66.5Low77Confident17 Ų1760.4 Ų60.418%0.17536%0.357CS..SBendtrans90.7-178.4175.200000115.4R1120G917-R1120 WeakPolarHBondContact O-CD 3.45Å; G917-R1120 WeakPolarHBondContact O-CG 3.37Å
918N68.4Low76.5Confident101 Ų10157.8 Ų57.854%0.5435%0.345SS..SBendtrans-91.5165.9176-71-8.5000110.8S920 R1120N918-S920 PolarHBondContact O-N 3.15Å; N918-S920 VanDerWaalsContact O-N 3.1Å; N918-R1120 VanDerWaalsContact O-CD 3.29Å; N918-R1120 WeakPolarHBondContact O-CD 3.15Å; N918-R1120 PolarHBondContact O-NH1 3.47Å
919V64.5Low76.2Confident79 Ų7957 Ų5748%0.47934%0.34SS..  trans-52.4117.7177.4-177.40000109.9N1117 R1120 E1121V919-N1117 HydrophobicContact CG1-CB 4.4Å; V919-R1120 HydrophobicContact CG2-CB 4.32Å; V919-E1121 HydrophobicContact CG2-CB 4.14Å
920S64.4Low75.8Confident58 Ų5856.8 Ų56.841%0.40634%0.342SS..  trans-108.397.9-179.858.90000108.6N918 N1117 R1120N918-S920 PolarHBondContact O-N 3.15Å; N918-S920 VanDerWaalsContact O-N 3.1Å; S920-N1117 PolarHBondContact N-OD1 3.09Å; S920-N1117 PolarHBondContact O-ND2 3.18Å; S920-R1120 PolarHBondContact OG-NH1 2.84Å
921D62.1Low75.4Confident104 Ų10457.9 Ų57.956%0.55634%0.342SS*.  trans61.3152.3175.9-48.3-46.8000117S925 N1117D921-S925 WeakPolarHBondContact CB-OG 3.43Å; D921-N1117 PolarHBondContact O-ND2 3.46Å
922G65Low75.2Confident41 Ų4154 Ų5442%0.42332%0.321SS..  trans-80.1176.8-17700000113.8S924 S925G922-S924 PolarHBondContact O-N 2.63Å; G922-S925 PolarHBondContact N-OG 2.94Å; G922-S925 VanDerWaalsContact N-OG 3.15Å; G922-S925 PolarHBondContact O-N 2.81Å; G922-S925 VanDerWaalsContact O-N 3.15Å; G922-S925 PolarHBondContact O-OG 2.84Å
923I67.4Low75Confident78 Ų7852.2 Ų52.240%0.431%0.311SS..G310 helixtrans-52.5-39.7176.7-74.4164.1000111.8S925 M926 Y976 W1115I923-S925 PolarHBondContact O-N 2.91Å; I923-S925 VanDerWaalsContact O-N 3.15Å; I923-M926 PolarHBondContact O-N 2.84Å; I923-Y976 HydrophobicContact CD1-CD2 4.27Å; I923-Y976 HydrophobicContact CD1-CE2 4.1Å; I923-W1115 HydrophobicContact CD1-CZ2 4.47Å; I923-W1115 HydrophobicContact CG1-CH2 4.17Å; I923-W1115 HydrophobicContact CG1-CZ2 3.67Å
924S69.2Low74.7Confident123 Ų12356.7 Ų56.786%0.8634%0.335SS*.G310 helixtrans-67.5-13.1-175.958.30000115.2G922G922-S924 PolarHBondContact O-N 2.63Å
925S71.1Confident74.6Confident53 Ų5352.4 Ų52.437%0.37132%0.323SS..G310 helixtrans-102.9-6.3-179.227.30000113.6D921 G922 I923D921-S925 WeakPolarHBondContact CB-OG 3.43Å; G922-S925 PolarHBondContact N-OG 2.94Å; G922-S925 VanDerWaalsContact N-OG 3.15Å; G922-S925 PolarHBondContact O-N 2.81Å; G922-S925 VanDerWaalsContact O-N 3.15Å; G922-S925 PolarHBondContact O-OG 2.84Å; I923-S925 PolarHBondContact O-N 2.91Å; I923-S925 VanDerWaalsContact O-N 3.15Å
926M78.1Confident74.9Confident17 Ų1754 Ų548%0.08433%0.329CS..  trans-85.5137.4176.3-62.6-17917800109.7I923 Q931 F1020 W1115 N1117I923-M926 PolarHBondContact O-N 2.84Å; M926-Q931 HydrophobicContact CB-CB 4.34Å; M926-Q931 WeakPolarHBondContact CE-O 3.36Å; M926-Q931 HydrophobicContact CG-CB 4.09Å; M926-F1020 HydrophobicContact CB-CD1 4.27Å; M926-F1020 HydrophobicContact CB-CE1 3.57Å; M926-F1020 HydrophobicContact CB-CZ 3.88Å; M926-F1020 VanDerWaalsContact O-CE1 3.29Å; M926-F1020 WeakPolarHBondContact O-CE1 3.42Å; M926-W1115 HydrophobicContact CE-CZ2 4.19Å; M926-W1115 HydrophobicContact SD-CH2 3.75Å; M926-W1115 HydrophobicContact SD-CZ2 3.68Å; M926-N1117 WeakPolarHBondContact CE-ND2 3.33Å
927S80.6Confident75.8Confident82 Ų8253 Ų5357%0.57332%0.321SS*.  trans-129.6-22.9-17964.60000113Q931 R1021S927-Q931 PolarHBondContact OG-OE1 3.16Å; S927-R1021 WeakPolarHBondContact O-CB 3Å; S927-R1021 PolarHBondContact O-N 3.23Å
928A82.9Confident76.9Confident8 Ų853.2 Ų53.27%0.06632%0.319CS..BIsolated β-bridgetrans-139.3155.4-17700000111.9N930 Q931 R1021 F1023A928-N930 VanDerWaalsContact CB-OD1 3.24Å; A928-N930 WeakPolarHBondContact CB-OD1 3.3Å; A928-N930 PolarHBondContact O-N 3.36Å; A928-N930 VanDerWaalsContact O-N 3.09Å; A928-Q931 WeakPolarHBondContact O-CB 3.35Å; A928-Q931 PolarHBondContact O-N 2.96Å; A928-R1021 WeakPolarHBondContact CA-O 3.09Å; A928-R1021 HydrophobicContact CB-CB 4.13Å; A928-F1023 HydrophobicContact CB-CE2 4.21Å; A928-F1023 HydrophobicContact CB-CZ 4Å
929E82.8Confident78Confident0 Ų048.6 Ų48.60%030%0.296CS..G310 helixtrans-57.6-26.5-174.362.1161156.100114.6Q931 I932 R936 L981 R1021 F1023 R1113E929-Q931 PolarHBondContact O-N 2.8Å; E929-I932 HydrophobicContact CB-CD1 4.48Å; E929-I932 WeakPolarHBondContact O-CB 3.31Å; E929-I932 PolarHBondContact O-N 3Å; E929-I932 VanDerWaalsContact O-N 3.16Å; E929-R936 IonicContact OE1-CZ 2.95Å; E929-R936 IonicContact OE1-NE 2.75Å; E929-R936 IonicContact OE1-NH2 3.91Å; E929-R936 PolarHBondContact OE1-NH2 3.42Å; E929-R936 IonicContact OE2-CZ 3.29Å; E929-R936 IonicContact OE2-NE 2.88Å; E929-R936 PolarHBondContact OE2-NE 3.18Å; E929-R936 IonicContact OE2-NH2 3.55Å; E929-R936 PolarHBondContact OE2-NH2 2.9Å; E929-L981 HydrophobicContact CB-CD2 4Å; E929-L981 VanDerWaalsContact OE2-CD1 3.31Å; E929-L981 WeakPolarHBondContact OE2-CD1 3.19Å; E929-R1021 PolarHBondContact N-O 2.97Å; E929-F1023 HydrophobicContact CG-CD2 3.7Å; E929-F1023 HydrophobicContact CG-CE2 4.1Å; E929-F1023 WeakPolarHBondContact OE1-CA 3.14Å; E929-F1023 WeakPolarHBondContact OE1-CB 3.32Å; E929-F1023 WeakPolarHBondContact OE1-CD2 3.36Å; E929-F1023 PolarHBondContact OE1-N 2.84Å; E929-R1113 WeakPolarHBondContact O-CD 3.49Å; E929-R1113 PolarHBondContact O-NE 2.67Å; E929-R1113 IonicContact OE1-NH2 3.38Å; E929-R1113 IonicContact OE2-CZ 3.57Å; E929-R1113 IonicContact OE2-NE 3.91Å; E929-R1113 PolarHBondContact OE2-NE 3.23Å; E929-R1113 IonicContact OE2-NH2 3.72Å; E929-R1113 PolarHBondContact OE2-NH2 3.15Å
930N81Confident79.3Confident85 Ų8546.7 Ų46.746%0.45528%0.281SS..G310 helixtrans-72.3-13.3-179.165.1-46.9000112.5A928 F1023A928-N930 VanDerWaalsContact CB-OD1 3.24Å; A928-N930 WeakPolarHBondContact CB-OD1 3.3Å; A928-N930 PolarHBondContact O-N 3.36Å; A928-N930 VanDerWaalsContact O-N 3.09Å; N930-F1023 HydrophobicContact CB-CE2 4.14Å
931Q81.2Confident80.8Confident77 Ų7744 Ų4436%0.3626%0.262SS..G310 helixtrans-87.2-13173.9-59.4179.3-80.800112.4M926 S927 A928 E929M926-Q931 HydrophobicContact CB-CB 4.34Å; M926-Q931 WeakPolarHBondContact CE-O 3.36Å; M926-Q931 HydrophobicContact CG-CB 4.09Å; S927-Q931 PolarHBondContact OG-OE1 3.16Å; A928-Q931 WeakPolarHBondContact O-CB 3.35Å; A928-Q931 PolarHBondContact O-N 2.96Å; E929-Q931 PolarHBondContact O-N 2.8Å
932I83.6Confident82.2Confident2 Ų240.5 Ų40.51%0.0125%0.245CC..THydrogen-bonded Turntrans-76.7-43.2179-59.4174.1000110.8E929 Y979 L981 F1020 R1113 W1115 E1116E929-I932 HydrophobicContact CB-CD1 4.48Å; E929-I932 WeakPolarHBondContact O-CB 3.31Å; E929-I932 PolarHBondContact O-N 3Å; E929-I932 VanDerWaalsContact O-N 3.16Å; I932-Y979 HydrophobicContact CD1-CD1 3.71Å; I932-Y979 HydrophobicContact CD1-CE1 3.8Å; I932-Y979 HydrophobicContact CD1-CG 4.3Å; I932-L981 HydrophobicContact CD1-CD2 4.43Å; I932-F1020 HydrophobicContact CD1-CD2 3.56Å; I932-F1020 HydrophobicContact CD1-CE2 4.09Å; I932-F1020 HydrophobicContact CD1-CG 4.3Å; I932-F1020 HydrophobicContact CG1-CD2 4.18Å; I932-F1020 HydrophobicContact CG1-CE2 4.36Å; I932-R1113 HydrophobicContact CG2-CB 4.01Å; I932-W1115 HydrophobicContact CB-CE3 4.47Å; I932-W1115 HydrophobicContact CD1-CZ3 4.31Å; I932-W1115 HydrophobicContact CG1-CZ3 4.06Å; I932-W1115 HydrophobicContact CG2-CD2 4.1Å; I932-W1115 HydrophobicContact CG2-CE3 3.44Å; I932-W1115 VanDerWaalsContact CG2-CE3 3.44Å; I932-W1115 HydrophobicContact CG2-CZ3 3.87Å; I932-E1116 PolarHBondContact O-N 2.95Å
933G82.7Confident83.5Confident3 Ų338.6 Ų38.63%0.03123%0.225CC..  trans-177161.1176.900000110.4R1113 E1116G933-R1113 PolarHBondContact O-NH1 3.05Å; G933-E1116 WeakPolarHBondContact CA-OE1 3.08Å
934D79.6Confident84.6Confident96 Ų9639.6 Ų39.651%0.51322%0.224SC..SBendtrans-74.7-31.7-172.6-76.7-21.2000111.8R1113 E1116 K1168D934-R1113 PolarHBondContact O-NH1 2.86Å; D934-R1113 VanDerWaalsContact O-NH1 3.12Å; D934-E1116 PolarHBondContact N-OE1 3.3Å; D934-K1168 IonicContact OD1-NZ 3.93Å; D934-K1168 IonicContact OD2-NZ 3.03Å; D934-K1168 PolarHBondContact OD2-NZ 2.7Å
935V83.4Confident85.5Confident47 Ų4733.8 Ų33.829%0.28518%0.183SC..  trans-111.3135.7-170.3-176.80000112.6P910 I913P910-V935 HydrophobicContact CG-CG1 3.62Å; I913-V935 HydrophobicContact CG2-CB 4.23Å; I913-V935 HydrophobicContact CG2-CG2 4.37Å
936R87.2Confident86.2Confident37 Ų3734.7 Ų34.714%0.1418%0.183CC..EExtended strand (participates in β ladder)trans-86.9134165.3-71.2-174.7176.9175.4-0.8110.2P910 E929 L981 F1023 A1112 R1113P910-R936 VanDerWaalsContact CD-O 3.29Å; P910-R936 WeakPolarHBondContact CD-O 3.35Å; E929-R936 IonicContact OE1-CZ 2.95Å; E929-R936 IonicContact OE1-NE 2.75Å; E929-R936 IonicContact OE1-NH2 3.91Å; E929-R936 PolarHBondContact OE1-NH2 3.42Å; E929-R936 IonicContact OE2-CZ 3.29Å; E929-R936 IonicContact OE2-NE 2.88Å; E929-R936 PolarHBondContact OE2-NE 3.18Å; E929-R936 IonicContact OE2-NH2 3.55Å; E929-R936 PolarHBondContact OE2-NH2 2.9Å; R936-L981 HydrophobicContact CG-CD1 4.21Å; R936-F1023 PolarHBondContact NH2-O 2.67Å; R936-A1112 CarbonylContact C-O 3.56Å; R936-A1112 WeakPolarHBondContact CA-O 3.23Å; R936-R1113 HydrophobicContact CG-CG 4.08Å
937I89.9Confident86.3Confident4 Ų437.2 Ų37.22%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-102.3128.1174.1-54167000107.5I913 L978 I1111 A1112 L1114I913-I937 HydrophobicContact CD1-CD1 3.2Å; I913-I937 HydrophobicContact CD1-CG1 3.32Å; I913-I937 HydrophobicContact CG1-CG1 4.43Å; I937-L978 HydrophobicContact CD1-CD1 3.45Å; I937-L978 VanDerWaalsContact CD1-CD1 3.45Å; I937-I1111 WeakPolarHBondContact O-CA 3.45Å; I937-A1112 PolarHBondContact N-O 3.15Å; I937-A1112 PolarHBondContact O-N 3.04Å; I937-L1114 HydrophobicContact CD1-CB 4.15Å
938V89.8Confident86Confident22 Ų2240 Ų4013%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-113.3106.3175.8-178.60000108.4T908 E909 K940 E1109 F1110 I1111T908-V938 CarbonylContact C-O 3.59Å; T908-V938 VanDerWaalsContact CA-O 3.27Å; T908-V938 WeakPolarHBondContact CA-O 3.14Å; E909-V938 HydrophobicContact CB-CB 4.28Å; E909-V938 PolarHBondContact N-O 3.14Å; E909-V938 PolarHBondContact O-N 2.85Å; V938-K940 HydrophobicContact CG1-CG 4.24Å; V938-E1109 HydrophobicContact CG1-CG 3.38Å; V938-E1109 WeakPolarHBondContact CG1-OE1 3.41Å; V938-F1110 CarbonylContact C-O 3.56Å; V938-F1110 VanDerWaalsContact CA-O 3.31Å; V938-F1110 WeakPolarHBondContact CA-O 3.13Å; V938-I1111 HydrophobicContact CG2-CG1 4.41Å
939G91.7Very high85.3Confident5 Ų546.9 Ų46.95%0.05222%0.224CC..EExtended strand (participates in β ladder)trans-92.8120.3174.400000110.9I907 E1109 F1110I907-G939 CarbonylContact O-C 3.58Å; I907-G939 WeakPolarHBondContact O-CA 3.29Å; G939-E1109 CarbonylContact O-C 3.42Å; G939-E1109 WeakPolarHBondContact O-CA 3.48Å; G939-F1110 PolarHBondContact N-O 3.05Å; G939-F1110 PolarHBondContact O-N 3.22Å
940K92.5Very high85Confident38 Ų3847.1 Ų47.117%0.16523%0.226CC..EExtended strand (participates in β ladder)trans-111.3124.5178.4-64.6173.3-176.2165.40109.8G906 I907 E909 V938 T1107 L1108 E1109G906-K940 CarbonylContact C-O 3.59Å; G906-K940 VanDerWaalsContact CA-O 3.23Å; G906-K940 WeakPolarHBondContact CA-O 3.25Å; I907-K940 HydrophobicContact CD1-CB 4.39Å; I907-K940 HydrophobicContact CD1-CD 4.18Å; I907-K940 HydrophobicContact CG1-CB 3.78Å; I907-K940 HydrophobicContact CG1-CD 4.38Å; I907-K940 PolarHBondContact N-O 3.04Å; I907-K940 PolarHBondContact O-N 2.67Å; E909-K940 VanDerWaalsContact CD-NZ 3.3Å; E909-K940 IonicContact OE1-NZ 3.33Å; E909-K940 PolarHBondContact OE1-NZ 3.42Å; E909-K940 IonicContact OE2-NZ 3.89Å; E909-K940 PolarHBondContact OE2-NZ 2.77Å; V938-K940 HydrophobicContact CG1-CG 4.24Å; K940-T1107 HydrophobicContact CB-CG2 3.86Å; K940-T1107 HydrophobicContact CG-CG2 4.43Å; K940-L1108 CarbonylContact C-O 3.57Å; K940-L1108 VanDerWaalsContact CA-O 3.26Å; K940-L1108 WeakPolarHBondContact CA-O 3.49Å; K940-E1109 HydrophobicContact CG-CB 4.33Å; K940-E1109 HydrophobicContact CG-CG 4.13Å
941F94.6Very high84.8Confident1 Ų146 Ų460%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-118.4116.8176.5-62.1-80.3000110.7L957 I959 T1107 L1108 F1110 L1133 A1135 I1157F941-L957 HydrophobicContact CB-CD2 4.14Å; F941-I959 HydrophobicContact CB-CD1 4.5Å; F941-I959 HydrophobicContact CD2-CD1 3.68Å; F941-I959 HydrophobicContact CD2-CG1 4.25Å; F941-I959 HydrophobicContact CD2-CG2 4.44Å; F941-I959 HydrophobicContact CE2-CD1 4.13Å; F941-I959 HydrophobicContact CE2-CG1 4.42Å; F941-I959 HydrophobicContact CE2-CG2 3.8Å; F941-I959 HydrophobicContact CG-CD1 4.22Å; F941-I959 HydrophobicContact CZ-CG2 4.06Å; F941-T1107 CarbonylContact O-C 3.36Å; F941-T1107 VanDerWaalsContact O-CA 3.24Å; F941-T1107 WeakPolarHBondContact O-CA 3.34Å; F941-L1108 PolarHBondContact N-O 3.12Å; F941-L1108 PolarHBondContact O-N 3.44Å; F941-F1110 AromaticContact CD2-CD2 3.96Å; F941-F1110 HydrophobicContact CD2-CD2 3.96Å; F941-F1110 HydrophobicContact CD2-CE2 4.09Å; F941-F1110 HydrophobicContact CE2-CD2 4.15Å; F941-F1110 HydrophobicContact CE2-CE2 4.5Å; F941-L1133 HydrophobicContact CZ-CB 4.06Å; F941-A1135 HydrophobicContact CD1-CB 3.35Å; F941-A1135 HydrophobicContact CE1-CB 3.63Å; F941-A1135 HydrophobicContact CG-CB 4.05Å; F941-I1157 HydrophobicContact CE1-CD1 3.6Å; F941-I1157 HydrophobicContact CE1-CG1 4.22Å; F941-I1157 HydrophobicContact CE2-CD1 4.39Å; F941-I1157 HydrophobicContact CZ-CD1 3.5Å; F941-I1157 HydrophobicContact CZ-CG1 4.33Å
942T92.1Very high84.8Confident32 Ų3242.3 Ų42.320%0.19620%0.202CC..EExtended strand (participates in β ladder)trans-107.6129.4-175.4-57.10000111.5V904 F905 P1105 I1106 T1107V904-T942 WeakPolarHBondContact CA-O 3.16Å; F905-T942 PolarHBondContact N-O 3.49Å; F905-T942 PolarHBondContact O-N 3.32Å; T942-P1105 HydrophobicContact CG2-CB 3.48Å; T942-P1105 VanDerWaalsContact CG2-CB 3.48Å; T942-I1106 CarbonylContact C-O 3.51Å; T942-I1106 VanDerWaalsContact CA-O 3.3Å; T942-I1106 WeakPolarHBondContact CA-O 3.45Å; T942-T1107 WeakPolarHBondContact CG2-OG1 3.26Å; T942-T1107 WeakPolarHBondContact OG1-CG2 3.28Å; T942-T1107 PolarHBondContact OG1-OG1 3.25Å
943V92.9Very high84.5Confident0 Ų044.2 Ų44.20%022%0.215CC..EExtended strand (participates in β ladder)trans-118.5134.1175.6-178.90000110.2V902 V904 L957 L1096 L1099 P1105 I1106 W1137V902-V943 HydrophobicContact CG1-CG1 3.96Å; V904-V943 HydrophobicContact CG1-CG2 4.48Å; V904-V943 HydrophobicContact CG2-CG2 4.36Å; V943-L957 HydrophobicContact CG2-CD1 3.76Å; V943-L957 HydrophobicContact CG2-CD2 3.89Å; V943-L957 HydrophobicContact CG2-CG 4.33Å; V943-L1096 HydrophobicContact CB-CD1 3.91Å; V943-L1096 HydrophobicContact CG1-CD1 3.91Å; V943-L1096 HydrophobicContact CG2-CD1 3.92Å; V943-L1099 HydrophobicContact CG1-CD1 4.39Å; V943-L1099 HydrophobicContact CG1-CD2 3.86Å; V943-P1105 WeakPolarHBondContact O-CA 3.49Å; V943-I1106 PolarHBondContact N-O 3.01Å; V943-I1106 PolarHBondContact O-N 3.07Å; V943-W1137 HydrophobicContact CG1-CG 4.15Å
944R89.2Confident84.6Confident100 Ų10045.3 Ų45.338%0.37722%0.224SC..EExtended strand (participates in β ladder)trans-143.8136.1-179.8-176.8179.3178.8172.90.6112.4V902 S903 L946 P1105V902-R944 WeakPolarHBondContact CA-O 3.31Å; S903-R944 PolarHBondContact N-O 3.29Å; S903-R944 PolarHBondContact O-N 3.31Å; S903-R944 PolarHBondContact OG-O 3.25Å; R944-L946 HydrophobicContact CG-CD2 4.17Å; R944-P1105 HydrophobicContact CB-CB 4.36Å
945N87.9Confident85.1Confident0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-86.9122.2166.2-175.1-2.4000110N901 V902 R947 S950 L1099N901-N945 CarbonylContact O-C 3.58Å; N901-N945 PolarHBondContact O-OD1 3.14Å; N901-N945 VanDerWaalsContact O-OD1 3.07Å; V902-N945 HydrophobicContact CG2-CB 4.46Å; N945-R947 PolarHBondContact OD1-N 3.26Å; N945-S950 PolarHBondContact ND2-O 3.33Å; N945-S950 VanDerWaalsContact ND2-O 3.15Å; N945-S950 PolarHBondContact ND2-OG 3.08Å; N945-L1099 HydrophobicContact CB-CD2 3.97Å; N945-L1099 HydrophobicContact CB-CG 3.88Å; N945-L1099 PolarHBondContact ND2-O 2.97Å
946L86.1Confident85.4Confident73 Ų7340.6 Ų40.638%0.38219%0.194SC..  trans-93.6-15.2-178.2-60.9177.3000112.9N901 R944N901-L946 HydrophobicContact CB-CB 4.31Å; N901-L946 PolarHBondContact O-N 3.09Å; R944-L946 HydrophobicContact CG-CD2 4.17Å
947R80.9Confident85.7Confident69 Ų6938.9 Ų38.926%0.2619%0.187SC..SBendtrans-85.1121-177.2-170166.6-178.5144.8-6.3111.4G782 I899 N901 N945 S950G782-R947 PolarHBondContact O-NH2 3.3Å; I899-R947 VanDerWaalsContact CB-NH1 3.32Å; I899-R947 WeakPolarHBondContact O-CD 3.32Å; N901-R947 HydrophobicContact CB-CB 3.97Å; N945-R947 PolarHBondContact OD1-N 3.26Å; R947-S950 PolarHBondContact O-N 3.32Å
948K73.2Confident85.8Confident140 Ų14040.4 Ų40.461%0.60920%0.195SC*.THydrogen-bonded Turntrans-60.6142.3170.6-63.1178.7-177.3175.90109.1S950 Y1101K948-S950 PolarHBondContact O-N 2.93Å; K948-S950 VanDerWaalsContact O-N 3.11Å; K948-Y1101 HydrophobicContact CG-CD1 4.46Å; K948-Y1101 HydrophobicContact CG-CD2 4.47Å; K948-Y1101 HydrophobicContact CG-CE1 4.38Å; K948-Y1101 HydrophobicContact CG-CE2 4.37Å
949H69.7Low86Confident154 Ų15439.4 Ų39.471%0.71319%0.189SC*.THydrogen-bonded Turntrans67.5-5.2-177.7-49.2-76.6000117.5
950S75.5Confident86Confident5 Ų539.4 Ų39.44%0.03519%0.188CC..  trans-79.9124.9171.4-1800000111.2V900 N945 R947 K948V900-S950 WeakPolarHBondContact CG1-OG 3.35Å; N945-S950 PolarHBondContact ND2-O 3.33Å; N945-S950 VanDerWaalsContact ND2-O 3.15Å; N945-S950 PolarHBondContact ND2-OG 3.08Å; R947-S950 PolarHBondContact O-N 3.32Å; K948-S950 PolarHBondContact O-N 2.93Å; K948-S950 VanDerWaalsContact O-N 3.11Å
951L77.6Confident86Confident60 Ų6037.8 Ų37.831%0.31418%0.181SC..EExtended strand (participates in β ladder)trans-122.8110.1172173.466.7000108.7M898 K1098M898-L951 WeakPolarHBondContact CE-O 3.33Å; L951-K1098 HydrophobicContact CD1-CB 4.37Å
952I81.3Confident85.9Confident0 Ų037.8 Ų37.80%018%0.18CC..EExtended strand (participates in β ladder)trans-89.8117.9174.5-53.2177.3000106.9V900 V902 A954 K1098 L1099 W1137 A1139V900-I952 HydrophobicContact CB-CD1 4.15Å; V900-I952 HydrophobicContact CG1-CD1 4Å; V900-I952 HydrophobicContact CG1-CG1 4.06Å; V900-I952 HydrophobicContact CG2-CD1 4.3Å; V902-I952 HydrophobicContact CG2-CD1 3.72Å; I952-A954 WeakPolarHBondContact CG2-O 3.35Å; I952-A954 PolarHBondContact O-N 2.97Å; I952-K1098 CarbonylContact O-C 3.59Å; I952-K1098 VanDerWaalsContact O-CA 3.28Å; I952-K1098 WeakPolarHBondContact O-CA 3.38Å; I952-L1099 HydrophobicContact CB-CB 4.28Å; I952-L1099 HydrophobicContact CD1-CD2 4.49Å; I952-L1099 PolarHBondContact N-O 3.21Å; I952-L1099 PolarHBondContact O-N 2.94Å; I952-W1137 HydrophobicContact CD1-CH2 3.65Å; I952-W1137 HydrophobicContact CD1-CZ2 3.44Å; I952-W1137 VanDerWaalsContact CD1-CZ2 3.44Å; I952-W1137 HydrophobicContact CG2-CZ2 4.46Å; I952-A1139 HydrophobicContact CG2-CB 4.2Å
953P77.6Confident85.8Confident43 Ų4336.7 Ų36.728%0.27917%0.173SC..SBendtrans-69.5-34.3-172.325.9-33.6000112.8K1098 V1141 Y1143P953-K1098 WeakPolarHBondContact O-CG 3.28Å; P953-V1141 HydrophobicContact CG-CG1 3.77Å; P953-Y1143 WeakPolarHBondContact CD-OH 3.46Å; P953-Y1143 WeakPolarHBondContact CG-OH 3.37Å
954A84.2Confident85.6Confident26 Ų2637.2 Ų37.222%0.21518%0.176CC..  trans-147.6139.4176.500000110I952 G1097 D1140I952-A954 WeakPolarHBondContact CG2-O 3.35Å; I952-A954 PolarHBondContact O-N 2.97Å; A954-G1097 WeakPolarHBondContact CA-O 3.48Å; A954-D1140 HydrophobicContact CB-CB 4.07Å; A954-D1140 PolarHBondContact O-N 3.43Å
955S89Confident85.5Confident2 Ų232.8 Ų32.81%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-149.4158175.965.30000111.1L1096 G1097 W1137 K1138S955-L1096 PolarHBondContact O-N 3.32Å; S955-G1097 PolarHBondContact N-O 3.44Å; S955-G1097 PolarHBondContact OG-O 3.34Å; S955-W1137 PolarHBondContact OG-NE1 3.41Å; S955-K1138 WeakPolarHBondContact CA-O 3.36Å
956R90.5Very high85Confident41 Ų4132.9 Ų32.916%0.15516%0.16CC..EExtended strand (participates in β ladder)trans-123.5146.4-177-61.1-168.3168138.112.4111C1094 D1095 W1137 K1138 D1140R956-C1094 CarbonylContact C-O 3.54Å; R956-C1094 WeakPolarHBondContact CA-O 3.3Å; R956-D1095 VanDerWaalsContact CD-OD1 3.3Å; R956-D1095 WeakPolarHBondContact CD-OD1 3.27Å; R956-D1095 VanDerWaalsContact CG-OD1 3.22Å; R956-D1095 WeakPolarHBondContact CG-OD1 3.1Å; R956-D1095 IonicContact CZ-OD1 2.87Å; R956-D1095 IonicContact NE-OD1 2.63Å; R956-D1095 PolarHBondContact NE-OD1 3.08Å; R956-D1095 IonicContact NH2-OD1 3.81Å; R956-W1137 WeakPolarHBondContact O-CA 3.36Å; R956-K1138 PolarHBondContact N-O 2.66Å; R956-K1138 PolarHBondContact O-N 3.08Å; R956-D1140 HydrophobicContact CG-CB 4.36Å; R956-D1140 IonicContact CZ-OD2 3Å; R956-D1140 IonicContact NE-OD2 3.6Å; R956-D1140 IonicContact NH1-OD2 3.35Å; R956-D1140 IonicContact NH2-OD1 3.66Å; R956-D1140 IonicContact NH2-OD2 3.52Å; R956-D1140 PolarHBondContact NH2-OD2 3.23Å
957L93.5Very high84.2Confident1 Ų130.6 Ų30.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-114.7125.2167.3-172.462.5000108.7V904 F941 V943 I959 C1094 L1096 L1108 A1135 W1137V904-L957 HydrophobicContact CG1-CD1 4.32Å; F941-L957 HydrophobicContact CB-CD2 4.14Å; V943-L957 HydrophobicContact CG2-CD1 3.76Å; V943-L957 HydrophobicContact CG2-CD2 3.89Å; V943-L957 HydrophobicContact CG2-CG 4.33Å; L957-I959 HydrophobicContact CD2-CD1 4.11Å; L957-I959 HydrophobicContact CD2-CG1 4.37Å; L957-I959 HydrophobicContact CG-CD1 4.38Å; L957-I959 HydrophobicContact CG-CG1 4.16Å; L957-C1094 PolarHBondContact N-O 3Å; L957-C1094 PolarHBondContact O-N 2.89Å; L957-L1096 HydrophobicContact CB-CD1 4.08Å; L957-L1096 HydrophobicContact CB-CD2 4.03Å; L957-L1096 HydrophobicContact CB-CG 4.1Å; L957-L1108 HydrophobicContact CD2-CD1 3.91Å; L957-L1108 HydrophobicContact CD2-CG 4.34Å; L957-A1135 HydrophobicContact CD1-CB 4.19Å; L957-W1137 HydrophobicContact CD1-CB 4.39Å
958I92Very high83.8Confident37 Ų3732.1 Ų32.119%0.1917%0.167CC..EExtended strand (participates in β ladder)trans-109.6119.1179.5-54.6171.3000107.1P1091 V1093 A1135 T1136I958-P1091 HydrophobicContact CG2-CB 4.17Å; I958-V1093 HydrophobicContact CG1-CG2 4.36Å; I958-V1093 HydrophobicContact CG2-CG2 4.44Å; I958-A1135 CarbonylContact O-C 3.44Å; I958-A1135 WeakPolarHBondContact O-CA 3.39Å; I958-T1136 PolarHBondContact N-O 2.94Å; I958-T1136 PolarHBondContact O-N 2.94Å
959I93.1Very high83.7Confident0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-112.8117.4-179.4-62166.7000108.4F941 L957 W961 I1092 L1108 F1110 A1135F941-I959 HydrophobicContact CB-CD1 4.5Å; F941-I959 HydrophobicContact CD2-CD1 3.68Å; F941-I959 HydrophobicContact CD2-CG1 4.25Å; F941-I959 HydrophobicContact CD2-CG2 4.44Å; F941-I959 HydrophobicContact CE2-CD1 4.13Å; F941-I959 HydrophobicContact CE2-CG1 4.42Å; F941-I959 HydrophobicContact CE2-CG2 3.8Å; F941-I959 HydrophobicContact CG-CD1 4.22Å; F941-I959 HydrophobicContact CZ-CG2 4.06Å; L957-I959 HydrophobicContact CD2-CD1 4.11Å; L957-I959 HydrophobicContact CD2-CG1 4.37Å; L957-I959 HydrophobicContact CG-CD1 4.38Å; L957-I959 HydrophobicContact CG-CG1 4.16Å; I959-W961 HydrophobicContact CG2-CE3 4.36Å; I959-W961 PolarHBondContact O-N 3.19Å; I959-W961 VanDerWaalsContact O-N 3.14Å; I959-I1092 HydrophobicContact CB-CB 4.48Å; I959-I1092 PolarHBondContact N-O 3.43Å; I959-I1092 PolarHBondContact O-N 3.01Å; I959-L1108 HydrophobicContact CD1-CD1 4.21Å; I959-F1110 HydrophobicContact CD1-CD2 4.2Å; I959-F1110 HydrophobicContact CD1-CE1 4.45Å; I959-F1110 HydrophobicContact CD1-CE2 3.18Å; I959-F1110 HydrophobicContact CD1-CZ 3.35Å; I959-A1135 HydrophobicContact CG1-CB 4.23Å
960D91.9Very high83.8Confident5 Ų528.3 Ų28.33%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-78.997178.7-67-46.8000109.6P962 Y1050 C1082 Y1083 T1134D960-P962 WeakPolarHBondContact O-CD 3.27Å; D960-Y1050 HydrophobicContact CB-CE1 4.5Å; D960-Y1050 WeakPolarHBondContact OD1-CE1 3.12Å; D960-Y1050 PolarHBondContact OD1-OH 2.83Å; D960-C1082 HydrophobicContact CB-CB 4.24Å; D960-Y1083 WeakPolarHBondContact OD2-CE2 3.32Å; D960-Y1083 PolarHBondContact OD2-OH 3.33Å; D960-T1134 PolarHBondContact N-O 2.94Å
961W93.1Very high83.9Confident5 Ų532.2 Ų32.22%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-89.6117.8-172.9-167.2-95.2000112.5I959 F963 L978 L980 C1089 V1090 I1092 F1110 A1112 L1133I959-W961 HydrophobicContact CG2-CE3 4.36Å; I959-W961 PolarHBondContact O-N 3.19Å; I959-W961 VanDerWaalsContact O-N 3.14Å; W961-F963 PolarHBondContact O-N 3.31Å; W961-L978 HydrophobicContact CD2-CD2 4.27Å; W961-L978 HydrophobicContact CE3-CD2 4.45Å; W961-L978 HydrophobicContact CH2-CD2 3.53Å; W961-L978 HydrophobicContact CH2-CG 4.17Å; W961-L978 HydrophobicContact CZ2-CB 4.42Å; W961-L978 HydrophobicContact CZ2-CD2 3.29Å; W961-L978 HydrophobicContact CZ2-CG 3.53Å; W961-L978 HydrophobicContact CZ3-CD2 4.11Å; W961-L978 PolarHBondContact NE1-O 2.99Å; W961-L980 HydrophobicContact CH2-CD1 3.83Å; W961-L980 HydrophobicContact CZ2-CB 4.03Å; W961-L980 HydrophobicContact CZ2-CD1 3.65Å; W961-L980 HydrophobicContact CZ2-CG 4.33Å; W961-C1089 WeakPolarHBondContact O-CA 3.44Å; W961-V1090 WeakPolarHBondContact CB-O 3.42Å; W961-V1090 PolarHBondContact N-O 3.4Å; W961-V1090 PolarHBondContact O-N 2.79Å; W961-I1092 HydrophobicContact CB-CD1 3.69Å; W961-I1092 HydrophobicContact CB-CG1 4.01Å; W961-I1092 HydrophobicContact CD2-CD1 4.14Å; W961-I1092 HydrophobicContact CE3-CD1 4.34Å; W961-I1092 HydrophobicContact CG-CD1 3.87Å; W961-F1110 HydrophobicContact CE3-CD1 4.08Å; W961-F1110 HydrophobicContact CE3-CG 4.45Å; W961-F1110 HydrophobicContact CH2-CB 3.68Å; W961-F1110 HydrophobicContact CH2-CD1 4.28Å; W961-F1110 HydrophobicContact CH2-CG 4.3Å; W961-F1110 HydrophobicContact CZ3-CB 3.55Å; W961-F1110 AromaticContact CZ3-CD1 3.75Å; W961-F1110 HydrophobicContact CZ3-CD1 3.75Å; W961-F1110 AromaticContact CZ3-CG 3.75Å; W961-F1110 HydrophobicContact CZ3-CG 3.75Å; W961-A1112 HydrophobicContact CH2-CB 3.84Å; W961-A1112 HydrophobicContact CZ2-CB 3.57Å; W961-L1133 HydrophobicContact CE3-CD2 3.87Å; W961-L1133 HydrophobicContact CZ3-CD2 3.93Å
962P92.1Very high83.8Confident0 Ų034.7 Ų34.70%020%0.195CC..EExtended strand (participates in β ladder)trans-79.787.7-177.333.1-35.7000111.9D960 L977 L978 I1087 L1131 L1133D960-P962 WeakPolarHBondContact O-CD 3.27Å; P962-L977 HydrophobicContact CB-CD2 4.3Å; P962-L978 HydrophobicContact CG-CB 4.29Å; P962-L978 HydrophobicContact CG-CD2 3.98Å; P962-L978 VanDerWaalsContact O-CB 3.3Å; P962-L978 WeakPolarHBondContact O-CB 3.43Å; P962-L978 PolarHBondContact O-N 2.77Å; P962-I1087 HydrophobicContact CB-CD1 3.62Å; P962-L1131 HydrophobicContact CB-CD1 3.96Å; P962-L1131 HydrophobicContact CG-CD1 3.88Å; P962-L1131 HydrophobicContact CG-CD2 4.23Å; P962-L1131 HydrophobicContact CG-CG 4.36Å; P962-L1133 HydrophobicContact CG-CD2 3.87Å; P962-L1133 HydrophobicContact CG-CG 4.27Å
963F90.2Very high83.6Confident9 Ų941.1 Ų41.14%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-81.4-51.7-169.1-178.2-124.1000114W961 Y976 L977 K1013 V1014 P1017 R1088 V1090W961-F963 PolarHBondContact O-N 3.31Å; F963-Y976 HydrophobicContact CE1-CD1 4.47Å; F963-Y976 HydrophobicContact CE1-CE1 4.01Å; F963-Y976 AromaticContact CE2-CD1 3.96Å; F963-Y976 HydrophobicContact CE2-CD1 3.96Å; F963-Y976 AromaticContact CE2-CE1 3.82Å; F963-Y976 HydrophobicContact CE2-CE1 3.82Å; F963-Y976 AromaticContact CZ-CD1 3.97Å; F963-Y976 HydrophobicContact CZ-CD1 3.97Å; F963-Y976 AromaticContact CZ-CE1 3.43Å; F963-Y976 HydrophobicContact CZ-CE1 3.43Å; F963-Y976 VanDerWaalsContact CZ-CE1 3.43Å; F963-L977 PolarHBondContact O-N 2.81Å; F963-K1013 WeakPolarHBondContact CZ-O 3.37Å; F963-V1014 HydrophobicContact CB-CG1 4.38Å; F963-V1014 HydrophobicContact CD1-CG1 4.38Å; F963-V1014 HydrophobicContact CD2-CB 3.91Å; F963-V1014 HydrophobicContact CD2-CG1 3.79Å; F963-V1014 HydrophobicContact CE2-CB 3.93Å; F963-V1014 HydrophobicContact CE2-CG1 4.04Å; F963-V1014 HydrophobicContact CG-CG1 3.95Å; F963-V1014 HydrophobicContact CZ-CG1 4.4Å; F963-P1017 HydrophobicContact CZ-CG 4.31Å; F963-R1088 PolarHBondContact N-O 2.82Å; F963-R1088 VanDerWaalsContact N-O 3.12Å; F963-V1090 HydrophobicContact CB-CG2 4.32Å
964E88.7Confident83.7Confident12 Ų1239.9 Ų39.96%0.05622%0.22CC..EExtended strand (participates in β ladder)trans-127.2144.6-176.6-71167.2-173.100111.7H973 G974 K975 Y976 I1087 R1088E964-H973 IonicContact OE1-ND1 2.83Å; E964-G974 PolarHBondContact OE2-N 3.21Å; E964-K975 CarbonylContact C-O 3.57Å; E964-K975 VanDerWaalsContact CA-O 3.27Å; E964-K975 WeakPolarHBondContact CA-O 3.45Å; E964-Y976 HydrophobicContact CG-CD1 4.39Å; E964-I1087 CarbonylContact O-C 3.55Å; E964-I1087 VanDerWaalsContact O-CA 3.3Å; E964-I1087 WeakPolarHBondContact O-CA 3.26Å; E964-R1088 HydrophobicContact CB-CB 4.2Å; E964-R1088 PolarHBondContact N-O 2.81Å; E964-R1088 PolarHBondContact O-N 3Å; E964-R1088 WeakPolarHBondContact OE2-CD 3.48Å; E964-R1088 IonicContact OE2-NH1 3.7Å
965F87.6Confident83.8Confident6 Ų641.2 Ų41.23%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-84.8124.7164-174.2-105.1000109.6G967 G974 K975 M1057 R1086 I1087 T1118 D1122 F1123F965-G967 PolarHBondContact O-N 3.09Å; F965-G967 VanDerWaalsContact O-N 3.11Å; F965-G974 WeakPolarHBondContact O-CA 3.43Å; F965-K975 PolarHBondContact N-O 3.43Å; F965-K975 PolarHBondContact O-N 3.13Å; F965-M1057 HydrophobicContact CE2-CE 4.24Å; F965-M1057 HydrophobicContact CZ-CE 3.93Å; F965-R1086 HydrophobicContact CE2-CB 4.42Å; F965-I1087 HydrophobicContact CD2-CG2 4.11Å; F965-T1118 HydrophobicContact CB-CG2 4.03Å; F965-D1122 HydrophobicContact CD1-CB 4.31Å; F965-D1122 HydrophobicContact CE1-CB 3.92Å; F965-F1123 HydrophobicContact CD2-CE2 4.07Å; F965-F1123 AromaticContact CD2-CZ 3.85Å; F965-F1123 HydrophobicContact CD2-CZ 3.85Å; F965-F1123 HydrophobicContact CE2-CE2 4.06Å; F965-F1123 AromaticContact CE2-CZ 3.58Å; F965-F1123 HydrophobicContact CE2-CZ 3.58Å; F965-F1123 HydrophobicContact CG-CE2 4.32Å; F965-F1123 HydrophobicContact CZ-CE2 4.3Å; F965-F1123 HydrophobicContact CZ-CZ 4.06Å
966A77.7Confident83.8Confident3 Ų342.5 Ų42.53%0.02523%0.226CC..  trans-79.594.1177.600000109L1053 R1086A966-L1053 HydrophobicContact CB-CD1 3.97Å; A966-L1053 HydrophobicContact CB-CD2 3.78Å; A966-L1053 HydrophobicContact CB-CG 4.4Å; A966-R1086 PolarHBondContact N-O 3.09Å; A966-R1086 VanDerWaalsContact N-O 3.08Å
967G68.9Low83.8Confident24 Ų2440.6 Ų40.625%0.24722%0.218CC..SBendtrans-63.9-67.9174.100000111F965F965-G967 PolarHBondContact O-N 3.09Å; F965-G967 VanDerWaalsContact O-N 3.11Å
968L72.6Confident83.7Confident101 Ų10140.6 Ų40.653%0.52922%0.218SC..SBendtrans-104.9128.2172.8-77.1152.7000109.5N970 E971L968-N970 PolarHBondContact O-N 2.92Å; L968-N970 VanDerWaalsContact O-N 3.13Å; L968-E971 HydrophobicContact CB-CG 3.85Å; L968-E971 HydrophobicContact CD1-CG 4.43Å; L968-E971 WeakPolarHBondContact CD1-OE1 3.4Å; L968-E971 PolarHBondContact O-N 3.41Å
969I70.4Confident83.7Confident58 Ų5838.9 Ų38.930%0.29721%0.209SC..THydrogen-bonded Turntrans-58.1-32.4-175.9-64173.8000111.8L1053 E1055I969-L1053 HydrophobicContact CG1-CB 4.32Å; I969-L1053 HydrophobicContact CG2-CB 4.19Å; I969-E1055 HydrophobicContact CD1-CB 3.93Å; I969-E1055 HydrophobicContact CD1-CG 3.61Å; I969-E1055 HydrophobicContact CG1-CG 4.02Å
970N73.1Confident83.7Confident156 Ų15638.9 Ų38.983%0.83421%0.209SC*.THydrogen-bonded Turntrans-83.9-7.2-173.1-60.6-20.9000114.6L968L968-N970 PolarHBondContact O-N 2.92Å; L968-N970 VanDerWaalsContact O-N 3.13Å
971E77.2Confident83.6Confident88 Ų8838.7 Ų38.741%0.41121%0.209SC..  trans-81.1137.3-177.7-71.2-178160.400111.5L968 H973 R1088L968-E971 HydrophobicContact CB-CG 3.85Å; L968-E971 HydrophobicContact CD1-CG 4.43Å; L968-E971 WeakPolarHBondContact CD1-OE1 3.4Å; L968-E971 PolarHBondContact O-N 3.41Å; E971-H973 PolarHBondContact O-N 2.94Å; E971-R1088 VanDerWaalsContact O-CZ 3.28Å; E971-R1088 PolarHBondContact O-NH1 3.2Å; E971-R1088 VanDerWaalsContact O-NH1 3.1Å; E971-R1088 PolarHBondContact O-NH2 3.24Å
972P74.4Confident83.5Confident112 Ų11240.2 Ų40.273%0.72722%0.216SC*.SBendtrans-65-24.6-178.925.7-33.9000113.1R1088P972-R1088 PolarHBondContact O-NH1 2.93Å
973H78.2Confident83.4Confident135 Ų13543 Ų4363%0.62523%0.23SC*.SBendtrans-130.5139.4177-64.1-74.3000109.8E964 E971 R1088E964-H973 IonicContact OE1-ND1 2.83Å; E971-H973 PolarHBondContact O-N 2.94Å; H973-R1088 VanDerWaalsContact CA-NH1 3.28Å
974G80.2Confident83.5Confident17 Ų1742.5 Ų42.518%0.17523%0.229CC..  trans-92.6-169172.200000112E964 F965E964-G974 PolarHBondContact OE2-N 3.21Å; F965-G974 WeakPolarHBondContact O-CA 3.43Å
975K85.4Confident83.5Confident53 Ų5343.2 Ų43.223%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-90.8134.8175.6-58.9173.9-173.3-179.80109.4E964 F965 L977 T1118 E1121 D1122E964-K975 CarbonylContact C-O 3.57Å; E964-K975 VanDerWaalsContact CA-O 3.27Å; E964-K975 WeakPolarHBondContact CA-O 3.45Å; F965-K975 PolarHBondContact N-O 3.43Å; F965-K975 PolarHBondContact O-N 3.13Å; K975-L977 PolarHBondContact O-N 3.16Å; K975-T1118 HydrophobicContact CB-CG2 3.88Å; K975-T1118 HydrophobicContact CD-CG2 4.41Å; K975-E1121 WeakPolarHBondContact CE-OE2 3.13Å; K975-E1121 IonicContact NZ-OE1 2.96Å; K975-E1121 PolarHBondContact NZ-OE1 2.98Å; K975-E1121 IonicContact NZ-OE2 2.9Å; K975-E1121 PolarHBondContact NZ-OE2 2.91Å; K975-D1122 WeakPolarHBondContact CD-OD2 3.43Å; K975-D1122 VanDerWaalsContact NZ-CG 3.3Å; K975-D1122 IonicContact NZ-OD1 2.92Å; K975-D1122 PolarHBondContact NZ-OD1 3.22Å; K975-D1122 IonicContact NZ-OD2 2.83Å; K975-D1122 PolarHBondContact NZ-OD2 2.98Å
976Y89.4Confident83.6Confident30 Ų3043 Ų4312%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-55.3139.2179-67.2-66.4000111.9I923 F963 E964 Y979 P1017 H1018 W1115 T1118I923-Y976 HydrophobicContact CD1-CD2 4.27Å; I923-Y976 HydrophobicContact CD1-CE2 4.1Å; F963-Y976 HydrophobicContact CE1-CD1 4.47Å; F963-Y976 HydrophobicContact CE1-CE1 4.01Å; F963-Y976 AromaticContact CE2-CD1 3.96Å; F963-Y976 HydrophobicContact CE2-CD1 3.96Å; F963-Y976 AromaticContact CE2-CE1 3.82Å; F963-Y976 HydrophobicContact CE2-CE1 3.82Å; F963-Y976 AromaticContact CZ-CD1 3.97Å; F963-Y976 HydrophobicContact CZ-CD1 3.97Å; F963-Y976 AromaticContact CZ-CE1 3.43Å; F963-Y976 HydrophobicContact CZ-CE1 3.43Å; F963-Y976 VanDerWaalsContact CZ-CE1 3.43Å; E964-Y976 HydrophobicContact CG-CD1 4.39Å; Y976-Y979 HydrophobicContact CD1-CD2 4.23Å; Y976-Y979 HydrophobicContact CG-CD2 4.29Å; Y976-P1017 HydrophobicContact CE1-CG 4.18Å; Y976-H1018 AromaticContact CE2-CD2 3.6Å; Y976-H1018 AromaticContact CE2-NE2 3.18Å; Y976-H1018 WeakPolarHBondContact CE2-NE2 3.4Å; Y976-H1018 AromaticContact CZ-CD2 3.77Å; Y976-H1018 AromaticContact CZ-NE2 3.37Å; Y976-H1018 PolarHBondContact OH-CD2 2.8Å; Y976-H1018 PolarHBondContact OH-NE2 2.87Å; Y976-W1115 HydrophobicContact CD2-CD2 4.4Å; Y976-W1115 HydrophobicContact CD2-CE3 4.26Å; Y976-W1115 HydrophobicContact CD2-CH2 4.15Å; Y976-W1115 HydrophobicContact CD2-CZ2 4.26Å; Y976-W1115 HydrophobicContact CD2-CZ3 4.14Å; Y976-W1115 HydrophobicContact CG-CD2 4.41Å; Y976-W1115 HydrophobicContact CG-CE3 4.2Å; Y976-W1115 HydrophobicContact CG-CZ3 4.43Å; Y976-W1115 WeakPolarHBondContact O-CB 3.42Å; Y976-T1118 VanDerWaalsContact O-CB 3.25Å; Y976-T1118 WeakPolarHBondContact O-CB 3.28Å; Y976-T1118 PolarHBondContact O-OG1 3.39Å
977L90.5Very high83.9Confident0 Ų043.9 Ų43.90%023%0.234CC..  trans-115.8-70.6178.7177.964.1000110.6P962 F963 K975 I1080 I1087 L1114 W1115 M1119 L1131P962-L977 HydrophobicContact CB-CD2 4.3Å; F963-L977 PolarHBondContact O-N 2.81Å; K975-L977 PolarHBondContact O-N 3.16Å; L977-I1080 HydrophobicContact CD1-CD1 4.49Å; L977-I1080 HydrophobicContact CD2-CD1 3.94Å; L977-I1087 HydrophobicContact CD2-CG2 3.9Å; L977-L1114 HydrophobicContact CD1-CD1 4.34Å; L977-W1115 WeakPolarHBondContact O-CB 2.97Å; L977-W1115 PolarHBondContact O-N 2.8Å; L977-M1119 HydrophobicContact CD1-CE 3.25Å; L977-L1131 HydrophobicContact CD2-CD1 4.06Å
978L91.3Very high84.3Confident2 Ų245.7 Ų45.71%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-109.199.4177.4-167.866.2000109.4I937 W961 P962 L980 A1112 L1133I937-L978 HydrophobicContact CD1-CD1 3.45Å; I937-L978 VanDerWaalsContact CD1-CD1 3.45Å; W961-L978 HydrophobicContact CD2-CD2 4.27Å; W961-L978 HydrophobicContact CE3-CD2 4.45Å; W961-L978 HydrophobicContact CH2-CD2 3.53Å; W961-L978 HydrophobicContact CH2-CG 4.17Å; W961-L978 HydrophobicContact CZ2-CB 4.42Å; W961-L978 HydrophobicContact CZ2-CD2 3.29Å; W961-L978 HydrophobicContact CZ2-CG 3.53Å; W961-L978 HydrophobicContact CZ3-CD2 4.11Å; W961-L978 PolarHBondContact NE1-O 2.99Å; P962-L978 HydrophobicContact CG-CB 4.29Å; P962-L978 HydrophobicContact CG-CD2 3.98Å; P962-L978 VanDerWaalsContact O-CB 3.3Å; P962-L978 WeakPolarHBondContact O-CB 3.43Å; P962-L978 PolarHBondContact O-N 2.77Å; L978-L980 PolarHBondContact O-N 2.93Å; L978-A1112 HydrophobicContact CD1-CB 3.76Å; L978-A1112 HydrophobicContact CD2-CB 4.44Å; L978-A1112 HydrophobicContact CG-CB 3.79Å; L978-L1133 HydrophobicContact CD2-CD2 3.86Å
979Y91.6Very high83.9Confident0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-85.7107.7-174.8-167.3-89.3000110.2I932 Y976 L981 N1016 P1017 H1018 F1020 A1112 R1113 W1115I932-Y979 HydrophobicContact CD1-CD1 3.71Å; I932-Y979 HydrophobicContact CD1-CE1 3.8Å; I932-Y979 HydrophobicContact CD1-CG 4.3Å; Y976-Y979 HydrophobicContact CD1-CD2 4.23Å; Y976-Y979 HydrophobicContact CG-CD2 4.29Å; Y979-L981 HydrophobicContact CD1-CD2 4.06Å; Y979-L981 HydrophobicContact CE1-CD2 4.41Å; Y979-L981 PolarHBondContact O-N 2.76Å; Y979-N1016 HydrophobicContact CE1-CB 4.33Å; Y979-N1016 WeakPolarHBondContact CE1-OD1 3.06Å; Y979-N1016 VanDerWaalsContact OH-C 3.25Å; Y979-N1016 VanDerWaalsContact OH-CA 3.29Å; Y979-N1016 WeakPolarHBondContact OH-CA 3.03Å; Y979-N1016 PolarHBondContact OH-OD1 3.37Å; Y979-P1017 HydrophobicContact CE2-CG 3.84Å; Y979-P1017 WeakPolarHBondContact OH-CD 3.24Å; Y979-H1018 PolarHBondContact OH-N 3.22Å; Y979-F1020 AromaticContact CE1-CD2 3.98Å; Y979-F1020 HydrophobicContact CE1-CD2 3.98Å; Y979-F1020 HydrophobicContact CE2-CD2 4.43Å; Y979-F1020 HydrophobicContact CE2-CE2 4.22Å; Y979-F1020 AromaticContact CZ-CD2 3.66Å; Y979-F1020 AromaticContact CZ-CE2 3.89Å; Y979-F1020 VanDerWaalsContact OH-CD2 3.29Å; Y979-F1020 WeakPolarHBondContact OH-CD2 3.49Å; Y979-A1112 CarbonylContact O-C 3.54Å; Y979-A1112 WeakPolarHBondContact O-CA 3.26Å; Y979-A1112 WeakPolarHBondContact O-CB 3.47Å; Y979-R1113 PolarHBondContact N-O 2.85Å; Y979-R1113 PolarHBondContact O-N 3.25Å; Y979-W1115 AromaticContact CD2-CE3 3.78Å; Y979-W1115 HydrophobicContact CD2-CE3 3.78Å; Y979-W1115 AromaticContact CD2-CZ3 3.61Å; Y979-W1115 HydrophobicContact CD2-CZ3 3.61Å; Y979-W1115 AromaticContact CE2-CZ3 3.89Å; Y979-W1115 HydrophobicContact CE2-CZ3 3.89Å; Y979-W1115 HydrophobicContact CG-CE3 4.09Å; Y979-W1115 HydrophobicContact CG-CZ3 4.13Å
980L93.6Very high83.3Confident0 Ų047.7 Ų47.70%025%0.254CS..EExtended strand (participates in β ladder)trans-73.8121.5179.4-170.863.8000109.3W961 L978 L1011 V1014 V1015 N1016 I1092 F1110 I1111 A1112W961-L980 HydrophobicContact CH2-CD1 3.83Å; W961-L980 HydrophobicContact CZ2-CB 4.03Å; W961-L980 HydrophobicContact CZ2-CD1 3.65Å; W961-L980 HydrophobicContact CZ2-CG 4.33Å; L978-L980 PolarHBondContact O-N 2.93Å; L980-L1011 HydrophobicContact CD2-CD2 4.14Å; L980-V1014 HydrophobicContact CD2-CG2 3.94Å; L980-V1015 HydrophobicContact CD2-CG2 3.56Å; L980-V1015 HydrophobicContact CG-CG2 4.08Å; L980-N1016 PolarHBondContact O-N 3.41Å; L980-I1092 HydrophobicContact CD2-CD1 4.28Å; L980-F1110 HydrophobicContact CD1-CB 4.18Å; L980-F1110 HydrophobicContact CD1-CD1 4.04Å; L980-F1110 HydrophobicContact CD2-CD1 4.31Å; L980-I1111 WeakPolarHBondContact CD1-O 3.29Å; L980-A1112 HydrophobicContact CD1-CB 4.4Å
981L90.4Very high82.3Confident2 Ų247.1 Ų47.11%0.0125%0.25CS..  trans-80.3-45.3-172.7-66.3179.7000112.1E929 I932 R936 Y979 N1016 I1022 I1111 R1113E929-L981 HydrophobicContact CB-CD2 4Å; E929-L981 VanDerWaalsContact OE2-CD1 3.31Å; E929-L981 WeakPolarHBondContact OE2-CD1 3.19Å; I932-L981 HydrophobicContact CD1-CD2 4.43Å; R936-L981 HydrophobicContact CG-CD1 4.21Å; Y979-L981 HydrophobicContact CD1-CD2 4.06Å; Y979-L981 HydrophobicContact CE1-CD2 4.41Å; Y979-L981 PolarHBondContact O-N 2.76Å; L981-N1016 WeakPolarHBondContact O-CB 3.46Å; L981-I1022 HydrophobicContact CB-CD1 4.37Å; L981-I1022 WeakPolarHBondContact O-CD1 3.33Å; L981-I1111 HydrophobicContact CD1-CG2 4.19Å; L981-I1111 PolarHBondContact N-O 3.28Å; L981-R1113 HydrophobicContact CD1-CG 4.03Å; L981-R1113 HydrophobicContact CD2-CG 4.27Å; L981-R1113 HydrophobicContact CG-CG 4.37Å
982E89.6Confident80.9Confident37 Ų3748.3 Ų48.317%0.17327%0.265CS..SBendtrans-143.4164.8-173.754.2-171.3178.600109.8Y985 I1111E982-Y985 VanDerWaalsContact CD-OH 3.23Å; E982-Y985 HydrophobicContact CG-CE2 3.84Å; E982-Y985 WeakPolarHBondContact OE1-CE2 3.41Å; E982-Y985 PolarHBondContact OE1-OH 3.31Å; E982-Y985 PolarHBondContact OE2-OH 2.87Å; E982-Y985 VanDerWaalsContact OE2-OH 3.13Å; E982-I1111 HydrophobicContact CG-CB 4.44Å; E982-I1111 VanDerWaalsContact OE1-CD1 3.3Å; E982-I1111 WeakPolarHBondContact OE1-CD1 3.38Å
983N91.1Very high79.8Confident57 Ų5748.2 Ų48.231%0.30526%0.258SS..  trans-56.1145.1174.3-69.5-10.4000109.9Y985 V1015 V1035N983-Y985 WeakPolarHBondContact O-CE2 3.42Å; N983-V1015 WeakPolarHBondContact OD1-CG2 3.3Å; N983-V1035 HydrophobicContact CB-CG1 4.5Å
984P91.8Very high78.2Confident0 Ų047.9 Ų47.90%027%0.268CS..  trans-65.5156.9-178.327.5-33.4000111.4L1011 V1035 E1109 F1110P984-L1011 HydrophobicContact CG-CD2 4.44Å; P984-V1035 HydrophobicContact CG-CB 4.42Å; P984-V1035 HydrophobicContact CG-CG1 3.68Å; P984-V1035 VanDerWaalsContact O-CB 3.3Å; P984-V1035 WeakPolarHBondContact O-CB 3.33Å; P984-V1035 WeakPolarHBondContact O-CG1 3.38Å; P984-V1035 PolarHBondContact O-N 2.93Å; P984-E1109 CarbonylContact C-O 3.52Å; P984-E1109 WeakPolarHBondContact CA-O 3.32Å; P984-E1109 WeakPolarHBondContact CB-O 3.44Å; P984-F1110 HydrophobicContact CB-CD1 3.8Å; P984-F1110 HydrophobicContact CB-CD2 4.11Å; P984-F1110 HydrophobicContact CB-CE1 3.63Å; P984-F1110 HydrophobicContact CB-CE2 3.94Å; P984-F1110 HydrophobicContact CB-CG 4.02Å; P984-F1110 HydrophobicContact CB-CZ 3.69Å; P984-F1110 HydrophobicContact CG-CD1 4.23Å; P984-F1110 HydrophobicContact CG-CE1 3.65Å; P984-F1110 HydrophobicContact CG-CE2 4.5Å; P984-F1110 HydrophobicContact CG-CZ 3.79Å
985Y88.6Confident76.8Confident26 Ų2651.5 Ų51.510%0.10231%0.305CS..EExtended strand (participates in β ladder)trans-105148.9178.1-65.3-92.5000110.9E982 N983 R1027 V1033 P1034 L1108 E1109 I1111E982-Y985 VanDerWaalsContact CD-OH 3.23Å; E982-Y985 HydrophobicContact CG-CE2 3.84Å; E982-Y985 WeakPolarHBondContact OE1-CE2 3.41Å; E982-Y985 PolarHBondContact OE1-OH 3.31Å; E982-Y985 PolarHBondContact OE2-OH 2.87Å; E982-Y985 VanDerWaalsContact OE2-OH 3.13Å; N983-Y985 WeakPolarHBondContact O-CE2 3.42Å; Y985-R1027 VanDerWaalsContact CD2-NH2 3.3Å; Y985-R1027 PolarHBondContact OH-NH1 2.9Å; Y985-R1027 VanDerWaalsContact OH-NH1 3.09Å; Y985-V1033 CarbonylContact C-O 2.8Å; Y985-V1033 WeakPolarHBondContact CA-O 3.24Å; Y985-P1034 HydrophobicContact CD1-CB 4.08Å; Y985-P1034 HydrophobicContact CE1-CB 3.73Å; Y985-P1034 HydrophobicContact CE1-CG 4.29Å; Y985-L1108 CarbonylContact O-C 3.43Å; Y985-L1108 WeakPolarHBondContact O-CA 3.4Å; Y985-E1109 PolarHBondContact N-O 2.78Å; Y985-E1109 PolarHBondContact O-N 3.46Å; Y985-I1111 HydrophobicContact CD2-CD1 4.02Å; Y985-I1111 HydrophobicContact CE2-CD1 3.95Å
986V88.8Confident74.8Confident2 Ų255.1 Ų55.11%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-106.4122.9177-176.20000108.1Q988 T1002 V1004 G1032 V1033 V1035 I1106 L1108V986-Q988 HydrophobicContact CG1-CB 4.37Å; V986-T1002 HydrophobicContact CB-CG2 3.84Å; V986-T1002 HydrophobicContact CG1-CG2 3.89Å; V986-T1002 HydrophobicContact CG2-CG2 4.4Å; V986-V1004 HydrophobicContact CG1-CB 4.31Å; V986-V1004 HydrophobicContact CG1-CG2 3.73Å; V986-V1004 HydrophobicContact CG2-CB 3.77Å; V986-V1004 HydrophobicContact CG2-CG1 4.13Å; V986-V1004 HydrophobicContact CG2-CG2 4.11Å; V986-G1032 WeakPolarHBondContact O-CA 3.48Å; V986-V1033 PolarHBondContact N-O 3.16Å; V986-V1033 PolarHBondContact O-N 3.02Å; V986-V1033 VanDerWaalsContact O-N 3.1Å; V986-V1035 HydrophobicContact CG2-CB 3.89Å; V986-V1035 HydrophobicContact CG2-CG2 3.66Å; V986-I1106 HydrophobicContact CG1-CG2 4.27Å; V986-L1108 HydrophobicContact CB-CD2 4.38Å; V986-L1108 HydrophobicContact CG1-CD2 4.39Å; V986-L1108 HydrophobicContact CG2-CD2 3.79Å
987I84.8Confident72.6Confident22 Ų2259.5 Ų59.511%0.11335%0.353CS..EExtended strand (participates in β ladder)trans-108108.2169.5-54.7167.1000106.5T1107 E1109I987-T1107 PolarHBondContact N-O 3.08Å; I987-T1107 PolarHBondContact O-N 3.45Å; I987-E1109 HydrophobicContact CD1-CB 4.47Å
988Q76.7Confident70.6Confident61 Ų6165 Ų6529%0.28539%0.386SS..EExtended strand (participates in β ladder)trans-123.6113.4177.7-174173.311.800108.3V986 A990 I1106V986-Q988 HydrophobicContact CG1-CB 4.37Å; Q988-A990 PolarHBondContact O-N 2.9Å; Q988-I1106 HydrophobicContact CG-CG1 4.38Å
989H64.4Low68.5Low128 Ų12871.4 Ų71.459%0.59342%0.42SS*.  trans-76.479.2171.5-64.5-67.8000109L991H989-L991 PolarHBondContact O-N 3.11Å
990A57.3Low66.5Low74 Ų7478.2 Ų78.261%0.61246%0.457SS*.PPolyproline II helixtrans-70.4116.2167.700000108.3Q988 P992Q988-A990 PolarHBondContact O-N 2.9Å; A990-P992 WeakPolarHBondContact O-CD 3.31Å
991L52.7Low64.8Low143 Ų14379.4 Ų79.475%0.74947%0.469SS*.PPolyproline II helixtrans-63.4125159.8-78.5163.6000106.9H989 I993H989-L991 PolarHBondContact O-N 3.11Å; L991-I993 PolarHBondContact O-N 2.88Å; L991-I993 VanDerWaalsContact O-N 3.08Å
992P47.6Very low63.8Low113 Ų11380.2 Ų80.273%0.73447%0.474SS*.PPolyproline II helixtrans-60.9117.2176.721.5-29.3000109.3A990A990-P992 WeakPolarHBondContact O-CD 3.31Å
993I51.8Low63.2Low110 Ų11081 Ų8156%0.56448%0.483SS*.PPolyproline II helixtrans-79.6123.1171.5-59.4168.9000106.6L991 G995 Q996L991-I993 PolarHBondContact O-N 2.88Å; L991-I993 VanDerWaalsContact O-N 3.08Å; I993-G995 PolarHBondContact O-N 2.75Å; I993-Q996 HydrophobicContact CB-CB 4.45Å; I993-Q996 PolarHBondContact O-N 2.76Å
994P44.3Very low63Low129 Ų12978.3 Ų78.384%0.83847%0.469SS*.THydrogen-bonded Turntrans-59.3124.9178.4-19.129.9000110.6
995G50.4Low62.9Low92 Ų9280.2 Ų80.295%0.94848%0.481SS*.THydrogen-bonded Turntrans94.1-0.9174.200000116.4I993I993-G995 PolarHBondContact O-N 2.75Å
996Q44.5Very low63.2Low130 Ų13079 Ų7961%0.60748%0.476SS*.  trans-99.1123.1174.5-146.7169.16.700109.9I993 V998I993-Q996 HydrophobicContact CB-CB 4.45Å; I993-Q996 PolarHBondContact O-N 2.76Å; Q996-V998 PolarHBondContact O-N 3.16Å
997T43.6Very low63.3Low122 Ų12279.3 Ų79.375%0.74848%0.478SS*.  trans-56.8121.8171.8440000108.5D999T997-D999 PolarHBondContact O-N 2.88Å
998V47.1Very low63.5Low116 Ų11679.7 Ų79.770%0.70348%0.482SS*.  trans-68.889.6174.6-176.10000107Q996 N1000Q996-V998 PolarHBondContact O-N 3.16Å; V998-N1000 PolarHBondContact O-N 3.31Å; V998-N1000 VanDerWaalsContact O-N 3.08Å
999D48.9Very low64.1Low136 Ų13682.4 Ų82.473%0.72750%0.495SS*.  trans-60.3111.6157.9-80.5-23000105.6T997 G1001T997-D999 PolarHBondContact O-N 2.88Å; D999-G1001 PolarHBondContact O-N 3.49Å
1000N48.9Very low65.3Low143 Ų14376.8 Ų76.877%0.76547%0.47SS*.  trans-64.218.7172.8-78.6-17.6000112.7V998V998-N1000 PolarHBondContact O-N 3.31Å; V998-N1000 VanDerWaalsContact O-N 3.08Å
1001G57.7Low66.9Low25 Ų2573.4 Ų73.426%0.25844%0.442SS..  trans-92.9113.417400000111D999D999-G1001 PolarHBondContact O-N 3.49Å
1002T70.1Confident68.6Low18 Ų1874.3 Ų74.311%0.1144%0.442CS..  trans-59.6142.1165.454.40000109.8V986 V1004 V1033V986-T1002 HydrophobicContact CB-CG2 3.84Å; V986-T1002 HydrophobicContact CG1-CG2 3.89Å; V986-T1002 HydrophobicContact CG2-CG2 4.4Å; T1002-V1004 PolarHBondContact O-N 3.37Å; T1002-V1033 HydrophobicContact CG2-CB 4.05Å; T1002-V1033 HydrophobicContact CG2-CG1 4.36Å
1003S76.3Confident70.5Confident54 Ų5475.1 Ų75.138%0.37843%0.434SS..SBendtrans-69-9.1174600000113.4L1096S1003-L1096 PolarHBondContact OG-O 2.05Å
1004V87.1Confident72.3Confident0 Ų069.9 Ų69.90%041%0.407CS..  trans-83.7127.1-175.5-172.30000111.3V986 T1002 V1035 C1094 D1095 L1096 I1106 L1108V986-V1004 HydrophobicContact CG1-CB 4.31Å; V986-V1004 HydrophobicContact CG1-CG2 3.73Å; V986-V1004 HydrophobicContact CG2-CB 3.77Å; V986-V1004 HydrophobicContact CG2-CG1 4.13Å; V986-V1004 HydrophobicContact CG2-CG2 4.11Å; T1002-V1004 PolarHBondContact O-N 3.37Å; V1004-V1035 HydrophobicContact CB-CG2 4.13Å; V1004-V1035 HydrophobicContact CG1-CG2 3.71Å; V1004-C1094 HydrophobicContact CG1-CB 4.2Å; V1004-D1095 CarbonylContact C-O 3.48Å; V1004-D1095 WeakPolarHBondContact CA-O 3.44Å; V1004-L1096 HydrophobicContact CG1-CD2 4.29Å; V1004-L1096 HydrophobicContact CG2-CD2 4.31Å; V1004-I1106 HydrophobicContact CG2-CG2 3.76Å; V1004-L1108 HydrophobicContact CG1-CD2 3.85Å; V1004-L1108 HydrophobicContact CG2-CD2 4.43Å
1005V90.4Very high74.5Confident41 Ų4164.9 Ų64.925%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-126127.1171.7-177.30000108.7R1036 A1038 C1094 D1095V1005-R1036 CarbonylContact C-O 3.53Å; V1005-R1036 WeakPolarHBondContact CA-O 3.39Å; V1005-R1036 HydrophobicContact CG2-CB 4.28Å; V1005-A1038 HydrophobicContact CG1-CB 3.6Å; V1005-C1094 CarbonylContact O-C 3.5Å; V1005-C1094 WeakPolarHBondContact O-CA 3.23Å; V1005-D1095 PolarHBondContact N-O 3.02Å; V1005-D1095 PolarHBondContact O-N 3.12Å
1006C93.2Very high76.4Confident0 Ų061.3 Ų61.30%033%0.334CS..EExtended strand (participates in β ladder)trans-106.4152.6176.5-63.40000111.8S1008 L1011 V1035 R1036 T1037 A1038 V1093 C1094C1006-S1008 PolarHBondContact O-N 3.45Å; C1006-L1011 HydrophobicContact CB-CD1 3.65Å; C1006-V1035 HydrophobicContact CB-CG1 4.06Å; C1006-V1035 HydrophobicContact CB-CG2 4.25Å; C1006-V1035 VanDerWaalsContact SG-CG2 3.53Å; C1006-R1036 PolarHBondContact N-O 3.01Å; C1006-T1037 VanDerWaalsContact O-CA 3.31Å; C1006-T1037 WeakPolarHBondContact O-CA 3.05Å; C1006-A1038 PolarHBondContact O-N 3.32Å; C1006-A1038 VanDerWaalsContact O-N 3.11Å; C1006-V1093 WeakPolarHBondContact CA-O 3.49Å; C1006-C1094 HydrophobicContact CB-CB 4.1Å; C1006-C1094 WeakPolarHBondContact CB-SG 3.48Å; C1006-C1094 WeakPolarHBondContact SG-CB 3.44Å; C1006-C1094 CovalentContact SG-SG 2.04Å; C1006-C1094 PolarHBondContact SG-SG 3.17Å
1007D91.5Very high78.4Confident9 Ų957.5 Ų57.55%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-61.1117.9-178.5179.230.3000111.8Q1009 A1010 L1011 A1038 I1040 V1093D1007-Q1009 VanDerWaalsContact C-N 3.31Å; D1007-Q1009 PolarHBondContact O-N 2.96Å; D1007-Q1009 PolarHBondContact OD1-N 2.92Å; D1007-Q1009 VanDerWaalsContact OD1-N 3.1Å; D1007-A1010 HydrophobicContact CB-CB 4.17Å; D1007-A1010 VanDerWaalsContact OD2-CB 3.29Å; D1007-A1010 WeakPolarHBondContact OD2-CB 3.46Å; D1007-A1010 PolarHBondContact OD2-N 2.78Å; D1007-L1011 WeakPolarHBondContact O-CB 3.15Å; D1007-L1011 VanDerWaalsContact O-CG 3.31Å; D1007-L1011 WeakPolarHBondContact O-CG 3.14Å; D1007-L1011 PolarHBondContact O-N 3.11Å; D1007-L1011 VanDerWaalsContact O-N 3.13Å; D1007-A1038 CarbonylContact C-O 3.48Å; D1007-A1038 WeakPolarHBondContact CA-O 3.48Å; D1007-I1040 HydrophobicContact CB-CB 4.11Å; D1007-I1040 HydrophobicContact CB-CD1 4.2Å; D1007-I1040 HydrophobicContact CB-CG1 4.23Å; D1007-I1040 PolarHBondContact OD1-N 2.66Å; D1007-V1093 PolarHBondContact N-O 3.43Å
1008S90.1Very high80.5Confident29 Ų2955.4 Ų55.420%0.20330%0.301CS..Hα-helixtrans-67.3-31.5178.164.50000112.2C1006 L1011 E1012 A1038 P1039C1006-S1008 PolarHBondContact O-N 3.45Å; S1008-L1011 PolarHBondContact O-N 3.06Å; S1008-E1012 WeakPolarHBondContact O-CB 3.48Å; S1008-E1012 PolarHBondContact O-N 3.29Å; S1008-A1038 PolarHBondContact N-O 3.34Å; S1008-A1038 VanDerWaalsContact OG-C 3.3Å; S1008-P1039 WeakPolarHBondContact OG-CA 3.35Å; S1008-P1039 VanDerWaalsContact OG-N 3.13Å
1009Q89.1Confident82.3Confident119 Ų11956.8 Ų56.856%0.55631%0.305SS*.Hα-helixtrans-70.5-45.5-177.5-59.8179.913.500111.2D1007 K1013 P1039D1007-Q1009 VanDerWaalsContact C-N 3.31Å; D1007-Q1009 PolarHBondContact O-N 2.96Å; D1007-Q1009 PolarHBondContact OD1-N 2.92Å; D1007-Q1009 VanDerWaalsContact OD1-N 3.1Å; Q1009-K1013 PolarHBondContact O-N 3.36Å; Q1009-P1039 HydrophobicContact CG-CB 4.42Å
1010A87.9Confident84.1Confident9 Ų950.9 Ų50.97%0.07427%0.273CS..Hα-helixtrans-61.7-45.7172.400000111.7D1007 K1013 V1014 V1090D1007-A1010 HydrophobicContact CB-CB 4.17Å; D1007-A1010 VanDerWaalsContact OD2-CB 3.29Å; D1007-A1010 WeakPolarHBondContact OD2-CB 3.46Å; D1007-A1010 PolarHBondContact OD2-N 2.78Å; A1010-K1013 WeakPolarHBondContact O-CB 3.48Å; A1010-K1013 PolarHBondContact O-N 2.81Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.34Å; A1010-V1014 PolarHBondContact O-N 3.05Å; A1010-V1090 HydrophobicContact CB-CG1 3.99Å
1011L91Very high85.8Confident3 Ų352.5 Ų52.52%0.01627%0.268CS..Hα-helixtrans-69-42.2-177.3-73.2173.6000113.1L980 P984 C1006 D1007 S1008 K1013 V1014 V1015 V1035 T1037 I1092L980-L1011 HydrophobicContact CD2-CD2 4.14Å; P984-L1011 HydrophobicContact CG-CD2 4.44Å; C1006-L1011 HydrophobicContact CB-CD1 3.65Å; D1007-L1011 WeakPolarHBondContact O-CB 3.15Å; D1007-L1011 VanDerWaalsContact O-CG 3.31Å; D1007-L1011 WeakPolarHBondContact O-CG 3.14Å; D1007-L1011 PolarHBondContact O-N 3.11Å; D1007-L1011 VanDerWaalsContact O-N 3.13Å; S1008-L1011 PolarHBondContact O-N 3.06Å; L1011-K1013 PolarHBondContact O-N 3.17Å; L1011-V1014 PolarHBondContact O-N 2.04Å; L1011-V1014 VanDerWaalsContact O-N 3.11Å; L1011-V1015 HydrophobicContact CB-CG2 4.09Å; L1011-V1015 HydrophobicContact CD2-CG2 3.86Å; L1011-V1015 VanDerWaalsContact O-CB 3.22Å; L1011-V1015 WeakPolarHBondContact O-CB 3.31Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.46Å; L1011-V1015 PolarHBondContact O-N 2.84Å; L1011-V1035 HydrophobicContact CD1-CG1 4.44Å; L1011-T1037 HydrophobicContact CD1-CG2 3.49Å; L1011-T1037 VanDerWaalsContact CD1-CG2 3.49Å; L1011-I1092 HydrophobicContact CD2-CD1 4.21Å; L1011-I1092 HydrophobicContact CD2-CG2 4.01Å; L1011-I1092 HydrophobicContact CG-CG2 4.37Å
1012E88.6Confident87Confident162 Ų16253.7 Ų53.776%0.75727%0.268SS*.Hα-helixtrans-58.7-33.3176-175175.9-172.100111.9S1008S1008-E1012 WeakPolarHBondContact O-CB 3.48Å; S1008-E1012 PolarHBondContact O-N 3.29Å
1013K87.7Confident87.5Confident130 Ų13056 Ų5657%0.56528%0.277SS*.Hα-helixtrans-69.7-34.2177.3-174.2179.1178.7-178.10113.4F963 Q1009 A1010 L1011 V1090F963-K1013 WeakPolarHBondContact CZ-O 3.37Å; Q1009-K1013 PolarHBondContact O-N 3.36Å; A1010-K1013 WeakPolarHBondContact O-CB 3.48Å; A1010-K1013 PolarHBondContact O-N 2.81Å; L1011-K1013 PolarHBondContact O-N 3.17Å; K1013-V1090 HydrophobicContact CD-CG2 4.27Å
1014V90.1Very high87.1Confident0 Ų058 Ų580%029%0.291CS..Hα-helixtrans-111.4-24.2-168.7-580000114.6F963 L980 A1010 L1011 N1016 V1090 I1092F963-V1014 HydrophobicContact CB-CG1 4.38Å; F963-V1014 HydrophobicContact CD1-CG1 4.38Å; F963-V1014 HydrophobicContact CD2-CB 3.91Å; F963-V1014 HydrophobicContact CD2-CG1 3.79Å; F963-V1014 HydrophobicContact CE2-CB 3.93Å; F963-V1014 HydrophobicContact CE2-CG1 4.04Å; F963-V1014 HydrophobicContact CG-CG1 3.95Å; F963-V1014 HydrophobicContact CZ-CG1 4.4Å; L980-V1014 HydrophobicContact CD2-CG2 3.94Å; A1010-V1014 WeakPolarHBondContact O-CG2 3.34Å; A1010-V1014 PolarHBondContact O-N 3.05Å; L1011-V1014 PolarHBondContact O-N 2.04Å; L1011-V1014 VanDerWaalsContact O-N 3.11Å; V1014-N1016 PolarHBondContact O-N 3.31Å; V1014-V1090 HydrophobicContact CG1-CB 3.85Å; V1014-V1090 HydrophobicContact CG1-CG1 4.03Å; V1014-V1090 HydrophobicContact CG1-CG2 3.71Å; V1014-I1092 HydrophobicContact CG2-CD1 4.22Å
1015V90.9Very high85.9Confident25 Ų2569.5 Ų69.515%0.15233%0.334CS..BIsolated β-bridgetrans-81.9114.7-177.71770000109.5L980 N983 L1011 P1017L980-V1015 HydrophobicContact CD2-CG2 3.56Å; L980-V1015 HydrophobicContact CG-CG2 4.08Å; N983-V1015 WeakPolarHBondContact OD1-CG2 3.3Å; L1011-V1015 HydrophobicContact CB-CG2 4.09Å; L1011-V1015 HydrophobicContact CD2-CG2 3.86Å; L1011-V1015 VanDerWaalsContact O-CB 3.22Å; L1011-V1015 WeakPolarHBondContact O-CB 3.31Å; L1011-V1015 WeakPolarHBondContact O-CG2 3.46Å; L1011-V1015 PolarHBondContact O-N 2.84Å; V1015-P1017 VanDerWaalsContact C-CD 3.42Å; V1015-P1017 VanDerWaalsContact C-N 3.33Å; V1015-P1017 VanDerWaalsContact O-N 3.1Å
1016N90.1Very high84.4Confident17 Ų1772.7 Ų72.79%0.09135%0.35CS..  trans35.553.6176.2-163.820.6000115.6Y979 L980 L981 V1014 H1018 N1019 F1020Y979-N1016 HydrophobicContact CE1-CB 4.33Å; Y979-N1016 WeakPolarHBondContact CE1-OD1 3.06Å; Y979-N1016 VanDerWaalsContact OH-C 3.25Å; Y979-N1016 VanDerWaalsContact OH-CA 3.29Å; Y979-N1016 WeakPolarHBondContact OH-CA 3.03Å; Y979-N1016 PolarHBondContact OH-OD1 3.37Å; L980-N1016 PolarHBondContact O-N 3.41Å; L981-N1016 WeakPolarHBondContact O-CB 3.46Å; V1014-N1016 PolarHBondContact O-N 3.31Å; N1016-H1018 PolarHBondContact O-N 2.66Å; N1016-N1019 PolarHBondContact O-N 2.81Å; N1016-N1019 PolarHBondContact OD1-N 3.34Å; N1016-F1020 PolarHBondContact ND2-N 2.72Å; N1016-F1020 PolarHBondContact ND2-O 2.89Å; N1016-F1020 PolarHBondContact OD1-N 3.4Å
1017P86.9Confident82.9Confident49 Ų4975.9 Ų75.932%0.31836%0.361SS..THydrogen-bonded Turntrans-58.5-23.5-173.323.2-36.1000114F963 Y976 Y979 V1015F963-P1017 HydrophobicContact CZ-CG 4.31Å; Y976-P1017 HydrophobicContact CE1-CG 4.18Å; Y979-P1017 HydrophobicContact CE2-CG 3.84Å; Y979-P1017 WeakPolarHBondContact OH-CD 3.24Å; V1015-P1017 VanDerWaalsContact C-CD 3.42Å; V1015-P1017 VanDerWaalsContact C-N 3.33Å; V1015-P1017 VanDerWaalsContact O-N 3.1Å
1018H85.9Confident81.2Confident78 Ų7885.8 Ų85.836%0.36140%0.404SS..THydrogen-bonded Turntrans-96.15.8177.9-70.5-63000114.6Y976 Y979 N1016 F1020Y976-H1018 AromaticContact CE2-CD2 3.6Å; Y976-H1018 AromaticContact CE2-NE2 3.18Å; Y976-H1018 WeakPolarHBondContact CE2-NE2 3.4Å; Y976-H1018 AromaticContact CZ-CD2 3.77Å; Y976-H1018 AromaticContact CZ-NE2 3.37Å; Y976-H1018 PolarHBondContact OH-CD2 2.8Å; Y976-H1018 PolarHBondContact OH-NE2 2.87Å; Y979-H1018 PolarHBondContact OH-N 3.22Å; N1016-H1018 PolarHBondContact O-N 2.66Å; H1018-F1020 VanDerWaalsContact C-N 3.27Å; H1018-F1020 HydrophobicContact CB-CD1 4.47Å; H1018-F1020 HydrophobicContact CB-CD2 4.01Å; H1018-F1020 HydrophobicContact CB-CE1 4.03Å; H1018-F1020 HydrophobicContact CB-CE2 3.56Å; H1018-F1020 HydrophobicContact CB-CG 4.45Å; H1018-F1020 HydrophobicContact CB-CZ 3.57Å; H1018-F1020 PolarHBondContact O-N 2.86Å
1019N86.1Confident79.8Confident145 Ų14585.8 Ų85.878%0.77540%0.404SS*.  trans52.140-179.9-77-26.3000114N1016N1016-N1019 PolarHBondContact O-N 2.81Å; N1016-N1019 PolarHBondContact OD1-N 3.34Å
1020F86.2Confident78.4Confident13 Ų1387.4 Ų87.46%0.05742%0.417CS..PPolyproline II helixtrans-64148.3174.3-63.5-53.9000111.1M926 I932 Y979 N1016 H1018 I1022 W1115M926-F1020 HydrophobicContact CB-CD1 4.27Å; M926-F1020 HydrophobicContact CB-CE1 3.57Å; M926-F1020 HydrophobicContact CB-CZ 3.88Å; M926-F1020 VanDerWaalsContact O-CE1 3.29Å; M926-F1020 WeakPolarHBondContact O-CE1 3.42Å; I932-F1020 HydrophobicContact CD1-CD2 3.56Å; I932-F1020 HydrophobicContact CD1-CE2 4.09Å; I932-F1020 HydrophobicContact CD1-CG 4.3Å; I932-F1020 HydrophobicContact CG1-CD2 4.18Å; I932-F1020 HydrophobicContact CG1-CE2 4.36Å; Y979-F1020 AromaticContact CE1-CD2 3.98Å; Y979-F1020 HydrophobicContact CE1-CD2 3.98Å; Y979-F1020 HydrophobicContact CE2-CD2 4.43Å; Y979-F1020 HydrophobicContact CE2-CE2 4.22Å; Y979-F1020 AromaticContact CZ-CD2 3.66Å; Y979-F1020 AromaticContact CZ-CE2 3.89Å; Y979-F1020 VanDerWaalsContact OH-CD2 3.29Å; Y979-F1020 WeakPolarHBondContact OH-CD2 3.49Å; N1016-F1020 PolarHBondContact ND2-N 2.72Å; N1016-F1020 PolarHBondContact ND2-O 2.89Å; N1016-F1020 PolarHBondContact OD1-N 3.4Å; H1018-F1020 VanDerWaalsContact C-N 3.27Å; H1018-F1020 HydrophobicContact CB-CD1 4.47Å; H1018-F1020 HydrophobicContact CB-CD2 4.01Å; H1018-F1020 HydrophobicContact CB-CE1 4.03Å; H1018-F1020 HydrophobicContact CB-CE2 3.56Å; H1018-F1020 HydrophobicContact CB-CG 4.45Å; H1018-F1020 HydrophobicContact CB-CZ 3.57Å; H1018-F1020 PolarHBondContact O-N 2.86Å; F1020-I1022 PolarHBondContact O-N 2.88Å; F1020-W1115 AromaticContact CE2-CH2 3.82Å; F1020-W1115 HydrophobicContact CE2-CH2 3.82Å; F1020-W1115 AromaticContact CE2-CZ3 3.92Å; F1020-W1115 HydrophobicContact CE2-CZ3 3.92Å; F1020-W1115 HydrophobicContact CZ-CH2 4.1Å
1021R85Confident77.4Confident176 Ų17693 Ų9366%0.66445%0.445SS*.BIsolated β-bridgetrans-67.8122.4176.8-175.6-179-179-178.21.6111S927 A928 E929S927-R1021 WeakPolarHBondContact O-CB 3Å; S927-R1021 PolarHBondContact O-N 3.23Å; A928-R1021 WeakPolarHBondContact CA-O 3.09Å; A928-R1021 HydrophobicContact CB-CB 4.13Å; E929-R1021 PolarHBondContact N-O 2.97Å
1022I83.9Confident76.6Confident51 Ų5193.4 Ų93.426%0.26245%0.45SS..PPolyproline II helixtrans-100.6132.3178.4-55.1164.3000110L981 F1020 S1024L981-I1022 HydrophobicContact CB-CD1 4.37Å; L981-I1022 WeakPolarHBondContact O-CD1 3.33Å; F1020-I1022 PolarHBondContact O-N 2.88Å; I1022-S1024 PolarHBondContact O-N 2.8Å
1023F79.9Confident76.3Confident65 Ų6588.9 Ų88.929%0.28543%0.434SS..  trans-8994.1175.3-55.2-65.5000110.6A928 E929 N930 R936 R1025 L1026A928-F1023 HydrophobicContact CB-CE2 4.21Å; A928-F1023 HydrophobicContact CB-CZ 4Å; E929-F1023 HydrophobicContact CG-CD2 3.7Å; E929-F1023 HydrophobicContact CG-CE2 4.1Å; E929-F1023 WeakPolarHBondContact OE1-CA 3.14Å; E929-F1023 WeakPolarHBondContact OE1-CB 3.32Å; E929-F1023 WeakPolarHBondContact OE1-CD2 3.36Å; E929-F1023 PolarHBondContact OE1-N 2.84Å; N930-F1023 HydrophobicContact CB-CE2 4.14Å; R936-F1023 PolarHBondContact NH2-O 2.67Å; F1023-R1025 PolarHBondContact O-N 3.01Å; F1023-R1025 VanDerWaalsContact O-N 3.1Å; F1023-L1026 HydrophobicContact CB-CD1 4.02Å; F1023-L1026 HydrophobicContact CB-CG 4.39Å; F1023-L1026 HydrophobicContact CD2-CD1 4.35Å; F1023-L1026 PolarHBondContact O-N 3.45Å
1024S68.4Low76Confident97 Ų9786.2 Ų86.268%0.67843%0.43SS*.G310 helixtrans-58-24.4176.355.50000114I1022 L1026I1022-S1024 PolarHBondContact O-N 2.8Å; S1024-L1026 PolarHBondContact O-N 2.95Å
1025R61.1Low75.9Confident242 Ų24286.6 Ų86.691%0.91343%0.432SS*.G310 helixtrans-67.8-12-178.9-64.3-172.7-173.1179.91.7115.6F1023 R1027F1023-R1025 PolarHBondContact O-N 3.01Å; F1023-R1025 VanDerWaalsContact O-N 3.1Å; R1025-R1027 VanDerWaalsContact C-N 3.35Å
1026L58.6Low75.8Confident108 Ų10892.1 Ų92.157%0.56545%0.45SS*.G310 helixtrans-91.211-178.4-70.5169.8000113.8F1023 S1024F1023-L1026 HydrophobicContact CB-CD1 4.02Å; F1023-L1026 HydrophobicContact CB-CG 4.39Å; F1023-L1026 HydrophobicContact CD2-CD1 4.35Å; F1023-L1026 PolarHBondContact O-N 3.45Å; S1024-L1026 PolarHBondContact O-N 2.95Å
1027R62.9Low75.7Confident66 Ų6694.4 Ų94.425%0.24947%0.465CS..  trans-81132.3-177.1-165.8179.6-176.81435.5111.8Y985 R1025 S1029Y985-R1027 VanDerWaalsContact CD2-NH2 3.3Å; Y985-R1027 PolarHBondContact OH-NH1 2.9Å; Y985-R1027 VanDerWaalsContact OH-NH1 3.09Å; R1025-R1027 VanDerWaalsContact C-N 3.35Å; R1027-S1029 VanDerWaalsContact CD-O 3.32Å; R1027-S1029 WeakPolarHBondContact CD-O 3.18Å; R1027-S1029 WeakPolarHBondContact CG-O 2.83Å; R1027-S1029 PolarHBondContact NE-O 3.25Å
1028K55Low75.7Confident218 Ų21893.9 Ų93.995%0.94846%0.464SS*.SBendtrans-84-29178.4-89.5-174.9176.9179.20114.8
1029S59.8Low75.8Confident29 Ų2994.3 Ų94.320%0.20347%0.474CS..  trans-128.8135.5-174.5169.30000112.2R1027 D1031R1027-S1029 VanDerWaalsContact CD-O 3.32Å; R1027-S1029 WeakPolarHBondContact CD-O 3.18Å; R1027-S1029 WeakPolarHBondContact CG-O 2.83Å; R1027-S1029 PolarHBondContact NE-O 3.25Å; S1029-D1031 WeakPolarHBondContact OG-CB 3.25Å; S1029-D1031 PolarHBondContact OG-N 3.43Å; S1029-D1031 VanDerWaalsContact OG-N 3.09Å; S1029-D1031 PolarHBondContact OG-OD2 3.46Å
1030N59.7Low75.6Confident153 Ų15388 Ų8882%0.81844%0.44SS*.  trans-95.96.3172.7-77.4-13.2000112.6G1032N1030-G1032 VanDerWaalsContact C-N 3.3Å; N1030-G1032 PolarHBondContact O-N 3.26Å
1031D68.4Low75Confident126 Ų12694.3 Ų94.367%0.67448%0.475SS*.  trans-81-5.8-168.2-56.6-47.6000114.3S1029S1029-D1031 WeakPolarHBondContact OG-CB 3.25Å; S1029-D1031 PolarHBondContact OG-N 3.43Å; S1029-D1031 VanDerWaalsContact OG-N 3.09Å; S1029-D1031 PolarHBondContact OG-OD2 3.46Å
1032G73Confident74.2Confident12 Ų1288.9 Ų88.912%0.12446%0.458CS..  trans-108.6134.6-175.700000113.9V986 N1030V986-G1032 WeakPolarHBondContact O-CA 3.48Å; N1030-G1032 VanDerWaalsContact C-N 3.3Å; N1030-G1032 PolarHBondContact O-N 3.26Å
1033V82.3Confident73.2Confident67 Ų6789.4 Ų89.441%0.40647%0.465SS..EExtended strand (participates in β ladder)trans-91.7135.9171.4-178.80000108.7Y985 V986 T1002 V1035Y985-V1033 CarbonylContact C-O 2.8Å; Y985-V1033 WeakPolarHBondContact CA-O 3.24Å; V986-V1033 PolarHBondContact N-O 3.16Å; V986-V1033 PolarHBondContact O-N 3.02Å; V986-V1033 VanDerWaalsContact O-N 3.1Å; T1002-V1033 HydrophobicContact CG2-CB 4.05Å; T1002-V1033 HydrophobicContact CG2-CG1 4.36Å; V1033-V1035 PolarHBondContact O-N 3.15Å
1034P82.9Confident72Confident74 Ų7491.9 Ų91.948%0.48149%0.49SS..EExtended strand (participates in β ladder)trans-58.6135.217723-32.6000110.5Y985Y985-P1034 HydrophobicContact CD1-CB 4.08Å; Y985-P1034 HydrophobicContact CE1-CB 3.73Å; Y985-P1034 HydrophobicContact CE1-CG 4.29Å
1035V88.1Confident71.4Confident7 Ų796.2 Ų96.24%0.04250%0.5CS..PPolyproline II helixtrans-63.5144.8-178.779.70000110.6N983 P984 V986 V1004 C1006 L1011 V1033 T1037N983-V1035 HydrophobicContact CB-CG1 4.5Å; P984-V1035 HydrophobicContact CG-CB 4.42Å; P984-V1035 HydrophobicContact CG-CG1 3.68Å; P984-V1035 VanDerWaalsContact O-CB 3.3Å; P984-V1035 WeakPolarHBondContact O-CB 3.33Å; P984-V1035 WeakPolarHBondContact O-CG1 3.38Å; P984-V1035 PolarHBondContact O-N 2.93Å; V986-V1035 HydrophobicContact CG2-CB 3.89Å; V986-V1035 HydrophobicContact CG2-CG2 3.66Å; V1004-V1035 HydrophobicContact CB-CG2 4.13Å; V1004-V1035 HydrophobicContact CG1-CG2 3.71Å; C1006-V1035 HydrophobicContact CB-CG1 4.06Å; C1006-V1035 HydrophobicContact CB-CG2 4.25Å; C1006-V1035 VanDerWaalsContact SG-CG2 3.53Å; L1011-V1035 HydrophobicContact CD1-CG1 4.44Å; V1033-V1035 PolarHBondContact O-N 3.15Å; V1035-T1037 HydrophobicContact CG1-CG2 4.22Å
1036R88Confident70.9Confident142 Ų14288.5 Ų88.554%0.53648%0.477SS..EExtended strand (participates in β ladder)trans-73.5139.9169.1-67.1178.4176.3-174.4-3.8108.9V1005 C1006V1005-R1036 CarbonylContact C-O 3.53Å; V1005-R1036 WeakPolarHBondContact CA-O 3.39Å; V1005-R1036 HydrophobicContact CG2-CB 4.28Å; C1006-R1036 PolarHBondContact N-O 3.01Å
1037T88.1Confident70.7Confident65 Ų6588 Ų8840%0.39947%0.474SS..EExtended strand (participates in β ladder)trans-115.1134.4178.855.90000110C1006 L1011 V1035C1006-T1037 VanDerWaalsContact O-CA 3.31Å; C1006-T1037 WeakPolarHBondContact O-CA 3.05Å; L1011-T1037 HydrophobicContact CD1-CG2 3.49Å; L1011-T1037 VanDerWaalsContact CD1-CG2 3.49Å; V1035-T1037 HydrophobicContact CG1-CG2 4.22Å
1038A87.6Confident70.4Confident38 Ų3888.5 Ų88.531%0.31449%0.488SS..EExtended strand (participates in β ladder)trans-150.5154.2174.400000108.8V1005 C1006 D1007 S1008 I1040V1005-A1038 HydrophobicContact CG1-CB 3.6Å; C1006-A1038 PolarHBondContact O-N 3.32Å; C1006-A1038 VanDerWaalsContact O-N 3.11Å; D1007-A1038 CarbonylContact C-O 3.48Å; D1007-A1038 WeakPolarHBondContact CA-O 3.48Å; S1008-A1038 PolarHBondContact N-O 3.34Å; S1008-A1038 VanDerWaalsContact OG-C 3.3Å; A1038-I1040 PolarHBondContact O-N 2.91Å
1039P86.1Confident70.9Confident86 Ų8689.4 Ų89.456%0.55849%0.485SS*.  trans-66.2122.8175.625.6-32.6000110S1008 Q1009S1008-P1039 WeakPolarHBondContact OG-CA 3.35Å; S1008-P1039 VanDerWaalsContact OG-N 3.13Å; Q1009-P1039 HydrophobicContact CG-CB 4.42Å
1040I81.9Confident71.9Confident14 Ų1490.8 Ų90.87%0.07249%0.486CS..  trans-106.7118.8178.6-60.3177.1000109.3D1007 A1038 I1042 V1093D1007-I1040 HydrophobicContact CB-CB 4.11Å; D1007-I1040 HydrophobicContact CB-CD1 4.2Å; D1007-I1040 HydrophobicContact CB-CG1 4.23Å; D1007-I1040 PolarHBondContact OD1-N 2.66Å; A1038-I1040 PolarHBondContact O-N 2.91Å; I1040-I1042 PolarHBondContact O-N 3.18Å; I1040-V1093 HydrophobicContact CG2-CG1 4.49Å
1041N75.4Confident72.9Confident145 Ų14585.9 Ų85.978%0.77546%0.463SS*.  trans-77.8109.1175.7-72-30.7000110.4
1042I66.9Low73.4Confident62 Ų6285.3 Ų85.332%0.31847%0.466SS..  trans-87.7123.2176.8-51.3164.1000108.8I1040 S1044 L1047 V1093I1040-I1042 PolarHBondContact O-N 3.18Å; I1042-S1044 PolarHBondContact O-N 3.45Å; I1042-L1047 HydrophobicContact CB-CD1 4.28Å; I1042-L1047 HydrophobicContact CD1-CD1 4.47Å; I1042-L1047 HydrophobicContact CG2-CD1 3.72Å; I1042-V1093 HydrophobicContact CD1-CB 4.47Å; I1042-V1093 HydrophobicContact CD1-CG2 3.63Å; I1042-V1093 HydrophobicContact CG1-CG2 4.2Å
1043P64Low73.6Confident62 Ų6287.2 Ų87.240%0.40347%0.473SS..  trans-58.6132.8173.1-21.131.5000110.8E1045 N1046P1043-E1045 PolarHBondContact O-N 3.03Å; P1043-E1045 VanDerWaalsContact O-N 3.09Å; P1043-N1046 PolarHBondContact O-N 2.94Å
1044S54.5Low73.4Confident117 Ų11786.4 Ų86.482%0.81847%0.47SS*.G310 helixtrans-59-22.2-176.636.40000114.4I1042 N1046I1042-S1044 PolarHBondContact O-N 3.45Å; S1044-N1046 VanDerWaalsContact C-N 3.29Å; S1044-N1046 PolarHBondContact O-N 3.12Å
1045E55.6Low72.7Confident188 Ų18888.8 Ų88.888%0.87948%0.475SS*.G310 helixtrans-71.4-17.5175.6-73.4177.7162.400113.9P1043P1043-E1045 PolarHBondContact O-N 3.03Å; P1043-E1045 VanDerWaalsContact O-N 3.09Å
1046N51.2Low71.8Confident80 Ų8096.8 Ų96.843%0.42851%0.509SS..G310 helixtrans-100.7-5.2-170.8-86-32.9000115.7P1043 S1044 S1048P1043-N1046 PolarHBondContact O-N 2.94Å; S1044-N1046 VanDerWaalsContact C-N 3.29Å; S1044-N1046 PolarHBondContact O-N 3.12Å; N1046-S1048 PolarHBondContact O-N 2.99Å
1047L53.5Low71.1Confident96 Ų9692.2 Ų92.250%0.50349%0.494SS..  trans-79.2103.8174.7-101.997.3000109.9I1042 R1049I1042-L1047 HydrophobicContact CB-CD1 4.28Å; I1042-L1047 HydrophobicContact CD1-CD1 4.47Å; I1042-L1047 HydrophobicContact CG2-CD1 3.72Å; L1047-R1049 VanDerWaalsContact C-N 3.32Å; L1047-R1049 PolarHBondContact O-N 3.26Å
1048S56.2Low70.5Confident78 Ų7894.9 Ų94.955%0.54551%0.505SS..  trans-54.9100.8156.311.90000107.5N1046 Y1050N1046-S1048 PolarHBondContact O-N 2.99Å; S1048-Y1050 PolarHBondContact O-N 2.84Å; S1048-Y1050 VanDerWaalsContact O-N 3.11Å
1049R66Low70Confident237 Ų23796.9 Ų96.989%0.89451%0.51SS*.PPolyproline II helixtrans-62.8117.1-178.9-162180-73.7-170.3-2.1107.5L1047L1047-R1049 VanDerWaalsContact C-N 3.32Å; L1047-R1049 PolarHBondContact O-N 3.26Å
1050Y81.2Confident69.8Low58 Ų5897.1 Ų97.123%0.22750%0.504CS..PPolyproline II helixtrans-54.9145.2176.1-63-58.9000109.8D960 S1048 C1082 Y1083 C1089D960-Y1050 HydrophobicContact CB-CE1 4.5Å; D960-Y1050 WeakPolarHBondContact OD1-CE1 3.12Å; D960-Y1050 PolarHBondContact OD1-OH 2.83Å; S1048-Y1050 PolarHBondContact O-N 2.84Å; S1048-Y1050 VanDerWaalsContact O-N 3.11Å; Y1050-C1082 HydrophobicContact CD1-CB 4.09Å; Y1050-C1082 HydrophobicContact CE1-CB 3.91Å; Y1050-Y1083 HydrophobicContact CD1-CE1 4.33Å; Y1050-C1089 HydrophobicContact CD2-CB 4.44Å; Y1050-C1089 HydrophobicContact CE1-CB 4.2Å; Y1050-C1089 HydrophobicContact CE2-CB 3.89Å; Y1050-C1089 WeakPolarHBondContact CE2-O 3.43Å
1051P80Confident69.5Low49 Ų49100.9 Ų100.932%0.31853%0.531SS..PPolyproline II helixtrans-60.4152.9179.323.2-30.6000111.4Y1083P1051-Y1083 WeakPolarHBondContact CG-O 3.46Å
1052P79.1Confident69.3Low114 Ų11495.5 Ų95.574%0.7450%0.503SS*.PPolyproline II helixtrans-58.6149178.325.4-34000111.3S1054P1052-S1054 PolarHBondContact O-N 3.08Å
1053L77.1Confident69.5Low52 Ų5297.2 Ų97.227%0.27252%0.519SS..PPolyproline II helixtrans-63.3135.3-178.1-68.8169.3000111.1A966 I969 G1085 R1088A966-L1053 HydrophobicContact CB-CD1 3.97Å; A966-L1053 HydrophobicContact CB-CD2 3.78Å; A966-L1053 HydrophobicContact CB-CG 4.4Å; I969-L1053 HydrophobicContact CG1-CB 4.32Å; I969-L1053 HydrophobicContact CG2-CB 4.19Å; L1053-G1085 CarbonylContact C-O 3.46Å; L1053-G1085 WeakPolarHBondContact CA-O 3.24Å; L1053-G1085 WeakPolarHBondContact CD2-O 3.38Å; L1053-R1088 HydrophobicContact CD1-CG 4.35Å; L1053-R1088 HydrophobicContact CD2-CG 4.27Å
1054S77.9Confident69.3Low51 Ų51100.7 Ų100.736%0.35753%0.534SS..  trans-121.1133.5-174.7176.90000111.3P1052 G1085 R1086P1052-S1054 PolarHBondContact O-N 3.08Å; S1054-G1085 PolarHBondContact N-O 2.85Å; S1054-R1086 WeakPolarHBondContact O-CD 3.23Å; S1054-R1086 PolarHBondContact O-NE 3.04Å
1055E69Low69.3Low124 Ų124106.4 Ų106.458%0.57954%0.538SS*.  trans-86.4-0.5-176.6-114.8172.8-137.200114.4I969 R1086I969-E1055 HydrophobicContact CD1-CB 3.93Å; I969-E1055 HydrophobicContact CD1-CG 3.61Å; I969-E1055 HydrophobicContact CG1-CG 4.02Å; E1055-R1086 PolarHBondContact O-NH2 3.41Å
1056K68Low69.2Low175 Ų175105.8 Ų105.876%0.76154%0.54SS*.  trans-95.4125.7-179.9-69.9-178.9180177.30110.6R1086K1056-R1086 VanDerWaalsContact C-NH2 3.28Å; K1056-R1086 PolarHBondContact O-NE 3.31Å
1057M73Confident69.1Low45 Ų45107.7 Ų107.722%0.22255%0.554CS.*  trans-99.2119169.8-177.9-179-82.700107.4F965 L1059 T1078 F1123 V1126F965-M1057 HydrophobicContact CE2-CE 4.24Å; F965-M1057 HydrophobicContact CZ-CE 3.93Å; M1057-L1059 HydrophobicContact CG-CG 4.28Å; M1057-L1059 PolarHBondContact O-N 2.82Å; M1057-L1059 HydrophobicContact SD-CD2 4.16Å; M1057-L1059 HydrophobicContact SD-CG 4.42Å; M1057-T1078 HydrophobicContact SD-CG2 4.26Å; M1057-F1123 HydrophobicContact CE-CD1 3.9Å; M1057-F1123 HydrophobicContact CE-CE1 3.36Å; M1057-F1123 HydrophobicContact CE-CZ 3.81Å; M1057-F1123 HydrophobicContact SD-CE1 4.46Å; M1057-V1126 HydrophobicContact SD-CG2 4.19Å
1058I76.2Confident68.8Low122 Ų122109.5 Ų109.563%0.62656%0.564SS**  trans-80.4109177.4-57.2174.2000107.1E1060 T1078I1058-E1060 HydrophobicContact CG2-CG 4.21Å; I1058-T1078 WeakPolarHBondContact O-CB 3.33Å; I1058-T1078 PolarHBondContact O-OG1 3.26Å; I1058-T1078 VanDerWaalsContact O-OG1 3.08Å
1059L77Confident68.3Low79 Ų79111.1 Ų111.141%0.41458%0.575SS.*  trans-99.8114.2177.4-70.7150.7000108.1M1057 K1076 M1077 V1126M1057-L1059 HydrophobicContact CG-CG 4.28Å; M1057-L1059 PolarHBondContact O-N 2.82Å; M1057-L1059 HydrophobicContact SD-CD2 4.16Å; M1057-L1059 HydrophobicContact SD-CG 4.42Å; L1059-K1076 HydrophobicContact CB-CB 4.46Å; L1059-K1076 HydrophobicContact CB-CD 4.2Å; L1059-K1076 HydrophobicContact CD1-CD 4.44Å; L1059-K1076 HydrophobicContact CD2-CB 3.89Å; L1059-K1076 HydrophobicContact CD2-CD 4.19Å; L1059-M1077 CarbonylContact C-O 3.56Å; L1059-M1077 WeakPolarHBondContact CA-O 3.34Å; L1059-V1126 HydrophobicContact CD2-CG2 3.7Å
1060E81.7Confident67.6Low92 Ų92109.4 Ų109.443%0.4358%0.575SS.*EExtended strand (participates in β ladder)trans-99.1154.1175.7-63.7174.8-170.300109.6I1058 K1076 M1077I1058-E1060 HydrophobicContact CG2-CG 4.21Å; E1060-K1076 CarbonylContact O-C 3.49Å; E1060-K1076 WeakPolarHBondContact O-CA 3.45Å; E1060-M1077 HydrophobicContact CB-CE 3.84Å; E1060-M1077 HydrophobicContact CB-CG 3.83Å; E1060-M1077 PolarHBondContact N-O 2.99Å; E1060-M1077 PolarHBondContact O-N 3.35Å; E1060-M1077 WeakPolarHBondContact OE2-CE 3.35Å
1061S75Confident66Low93 Ų93116.6 Ų116.665%0.6561%0.607SS**EExtended strand (participates in β ladder)trans-73.2135169.552.50000109.8
1062V72.4Confident64.6Low31 Ų31118.6 Ų118.619%0.18862%0.615CS.*PPolyproline II helixtrans-65.6130.5172.7178.60000108.6D1064 R1075 M1077 F1127V1062-D1064 PolarHBondContact O-N 2.93Å; V1062-R1075 HydrophobicContact CB-CB 4.35Å; V1062-R1075 HydrophobicContact CG2-CB 4.04Å; V1062-R1075 VanDerWaalsContact CG2-O 3.3Å; V1062-R1075 WeakPolarHBondContact CG2-O 3.28Å; V1062-R1075 PolarHBondContact N-O 3.42Å; V1062-R1075 VanDerWaalsContact N-O 3.11Å; V1062-M1077 HydrophobicContact CG2-CB 3.81Å; V1062-M1077 HydrophobicContact CG2-CG 4.29Å; V1062-F1127 HydrophobicContact CG1-CD1 4.4Å; V1062-F1127 HydrophobicContact CG1-CE1 4.49Å; V1062-F1127 HydrophobicContact CG2-CB 4.44Å; V1062-F1127 HydrophobicContact CG2-CD1 3.77Å
1063P71.6Confident63.5Low99 Ų99118.2 Ų118.264%0.64361%0.61SS**PPolyproline II helixtrans-59.8124176.3-21.130.9000111.5R1065P1063-R1065 PolarHBondContact O-N 2.85Å
1064D59.2Low62.7Low135 Ų135122.4 Ų122.472%0.72263%0.632SS**PPolyproline II helixtrans-60.9129.2-179.4-81.1-34.5000112.1V1062V1062-D1064 PolarHBondContact O-N 2.93Å
1065R54.8Low62.7Low236 Ų236125.1 Ų125.189%0.89164%0.635SS**PPolyproline II helixtrans-83.5124.7162.8-76-170.8-179.6-176.51.1108.6P1063 T1067P1063-R1065 PolarHBondContact O-N 2.85Å; R1065-T1067 PolarHBondContact O-N 3.16Å
1066L52.6Low63.4Low176 Ų176123.6 Ų123.692%0.92163%0.626SS**THydrogen-bonded Turntrans-59.613.4-163.8-126.490.9000119
1067T50.4Low64.3Low119 Ų119116.3 Ų116.373%0.7360%0.595SS**THydrogen-bonded Turntrans-136.64.1-168.852.90000119.5R1065R1065-T1067 PolarHBondContact O-N 3.16Å
1068D46.2Very low65.1Low134 Ų134114.3 Ų114.372%0.71759%0.586SS**  trans-114.273175.1-83.3-31.9000113.3L1072D1068-L1072 WeakPolarHBondContact O-CD1 3.27Å
1069S45.4Very low65.7Low112 Ų112110.3 Ų110.378%0.78357%0.567SS**  trans-68.7126.7174.633.30000113.8
1070K51.7Low66.3Low201 Ų201106.7 Ų106.787%0.87455%0.548SS*.SBendtrans1107.4149.5-71-176176.2177.90122.5
1071K47.3Very low66.6Low209 Ų209102.8 Ų102.891%0.90953%0.531SS*.  trans-148.462.4155.3-78.1-168.8179.8173.80111.5
1072L52.1Low67.3Low92 Ų9298.5 Ų98.548%0.48250%0.501SS..  trans-94.3107177.6-89.4145.8000109.8D1068D1068-L1072 WeakPolarHBondContact O-CD1 3.27Å
1073V55.2Low67.9Low105 Ų105101.5 Ų101.564%0.63651%0.51SS*.  trans-54.6134.8160.2178.20000107.6R1075V1073-R1075 WeakPolarHBondContact O-CG 3.4Å; V1073-R1075 PolarHBondContact O-N 2.72Å
1074D59.5Low68.4Low140 Ų140100.6 Ų100.675%0.74950%0.499SS*.  trans-57.993.7176.7-147.718.6000109.8
1075R78Confident69.3Low109 Ų10994.2 Ų94.241%0.41147%0.466SS..  trans-85.2117.5-173.6-77.2174.8-178.8-177.74.1109.7V1062 V1073 F1127V1062-R1075 HydrophobicContact CB-CB 4.35Å; V1062-R1075 HydrophobicContact CG2-CB 4.04Å; V1062-R1075 VanDerWaalsContact CG2-O 3.3Å; V1062-R1075 WeakPolarHBondContact CG2-O 3.28Å; V1062-R1075 PolarHBondContact N-O 3.42Å; V1062-R1075 VanDerWaalsContact N-O 3.11Å; V1073-R1075 WeakPolarHBondContact O-CG 3.4Å; V1073-R1075 PolarHBondContact O-N 2.72Å; R1075-F1127 HydrophobicContact CB-CB 3.7Å; R1075-F1127 HydrophobicContact CB-CD1 4.11Å; R1075-F1127 HydrophobicContact CB-CD2 4.48Å; R1075-F1127 HydrophobicContact CB-CG 3.84Å; R1075-F1127 HydrophobicContact CG-CB 3.86Å; R1075-F1127 HydrophobicContact CG-CD1 4.25Å; R1075-F1127 HydrophobicContact CG-CD2 3.84Å; R1075-F1127 HydrophobicContact CG-CE2 4.48Å; R1075-F1127 HydrophobicContact CG-CG 3.7Å; R1075-F1127 VanDerWaalsContact NH1-CZ 3.29Å
1076K85Confident70.5Confident91 Ų9184.7 Ų84.740%0.39643%0.43SS..EExtended strand (participates in β ladder)trans-96.5145.4178.3-60.3-177.9-179.8-173.80111.8L1059 E1060 V1126 F1127 L1128L1059-K1076 HydrophobicContact CB-CB 4.46Å; L1059-K1076 HydrophobicContact CB-CD 4.2Å; L1059-K1076 HydrophobicContact CD1-CD 4.44Å; L1059-K1076 HydrophobicContact CD2-CB 3.89Å; L1059-K1076 HydrophobicContact CD2-CD 4.19Å; E1060-K1076 CarbonylContact O-C 3.49Å; E1060-K1076 WeakPolarHBondContact O-CA 3.45Å; K1076-V1126 WeakPolarHBondContact O-CG1 3.1Å; K1076-F1127 WeakPolarHBondContact O-CB 3.05Å; K1076-F1127 PolarHBondContact O-N 3.48Å; K1076-L1128 PolarHBondContact O-N 3.19Å
1077M86.9Confident72.1Confident23 Ų2376.7 Ų76.711%0.11339%0.388CS..EExtended strand (participates in β ladder)trans-120.3157.2170.569.9-179.9-173.400112.3L1059 E1060 V1062 L1128L1059-M1077 CarbonylContact C-O 3.56Å; L1059-M1077 WeakPolarHBondContact CA-O 3.34Å; E1060-M1077 HydrophobicContact CB-CE 3.84Å; E1060-M1077 HydrophobicContact CB-CG 3.83Å; E1060-M1077 PolarHBondContact N-O 2.99Å; E1060-M1077 PolarHBondContact O-N 3.35Å; E1060-M1077 WeakPolarHBondContact OE2-CE 3.35Å; V1062-M1077 HydrophobicContact CG2-CB 3.81Å; V1062-M1077 HydrophobicContact CG2-CG 4.29Å; M1077-L1128 CarbonylContact C-O 3.55Å; M1077-L1128 WeakPolarHBondContact CA-O 3.42Å; M1077-L1128 HydrophobicContact CB-CB 3.98Å; M1077-L1128 HydrophobicContact CB-CD2 4.5Å; M1077-L1128 HydrophobicContact CB-CG 4.34Å; M1077-L1128 VanDerWaalsContact CB-O 3.28Å; M1077-L1128 WeakPolarHBondContact CB-O 3.37Å
1078T88.5Confident73.9Confident3 Ų373.6 Ų73.62%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-142.4148.8174.8-172.40000110.3M1057 I1058 F1123 V1126 L1128 T1129 K1130M1057-T1078 HydrophobicContact SD-CG2 4.26Å; I1058-T1078 WeakPolarHBondContact O-CB 3.33Å; I1058-T1078 PolarHBondContact O-OG1 3.26Å; I1058-T1078 VanDerWaalsContact O-OG1 3.08Å; T1078-F1123 HydrophobicContact CG2-CD1 4.15Å; T1078-F1123 HydrophobicContact CG2-CE1 3.9Å; T1078-V1126 HydrophobicContact CG2-CG1 3.91Å; T1078-L1128 PolarHBondContact N-O 2.73Å; T1078-T1129 HydrophobicContact CG2-CG2 3.98Å; T1078-T1129 CarbonylContact O-C 3.51Å; T1078-T1129 WeakPolarHBondContact O-CA 3.22Å; T1078-K1130 PolarHBondContact O-N 3.16Å
1079T88.5Confident76Confident37 Ų3768 Ų6823%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-111.4127.8173.7-57.30000110.2N1084 K1130 H1132T1079-N1084 PolarHBondContact O-ND2 3.45Å; T1079-K1130 CarbonylContact C-O 3.53Å; T1079-K1130 WeakPolarHBondContact CA-O 3.12Å; T1079-K1130 HydrophobicContact CG2-CB 4.22Å; T1079-H1132 VanDerWaalsContact CG2-NE2 3.26Å; T1079-H1132 WeakPolarHBondContact CG2-NE2 3.08Å
1080I89.6Confident78.1Confident4 Ų463.2 Ų63.22%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-120.5128179.255.5174.7000110.2L977 I1087 F1123 T1129 K1130 L1131 H1132L977-I1080 HydrophobicContact CD1-CD1 4.49Å; L977-I1080 HydrophobicContact CD2-CD1 3.94Å; I1080-I1087 HydrophobicContact CB-CG2 4.48Å; I1080-F1123 HydrophobicContact CD1-CZ 4.26Å; I1080-T1129 HydrophobicContact CD1-CG2 3.65Å; I1080-T1129 HydrophobicContact CG1-CG2 3.87Å; I1080-K1130 PolarHBondContact N-O 3.42Å; I1080-L1131 HydrophobicContact CD1-CB 4.49Å; I1080-L1131 HydrophobicContact CD1-CD1 3.85Å; I1080-L1131 HydrophobicContact CG1-CB 4.25Å; I1080-L1131 HydrophobicContact CG1-CD1 3.79Å; I1080-H1132 PolarHBondContact O-N 2.86Å
1081S89.1Confident80Confident9 Ų955 Ų556%0.06327%0.267CS..  trans-142.5161.8178.390.70000110.1Y1083 N1084 I1087S1081-Y1083 PolarHBondContact O-N 3.47Å; S1081-Y1083 VanDerWaalsContact O-N 3.15Å; S1081-Y1083 PolarHBondContact OG-N 2.84Å; S1081-Y1083 VanDerWaalsContact OG-N 3.1Å; S1081-N1084 PolarHBondContact O-N 2.78Å; S1081-N1084 VanDerWaalsContact O-N 3.08Å; S1081-N1084 PolarHBondContact OG-N 3.04Å; S1081-N1084 PolarHBondContact OG-OD1 3.47Å; S1081-I1087 WeakPolarHBondContact O-CD1 3.38Å; S1081-I1087 WeakPolarHBondContact O-CG1 3.44Å
1082C89Confident82.1Confident4 Ų445 Ų453%0.02722%0.224CC..THydrogen-bonded Turntrans-61.2-21.7175.8-62.20000113D960 Y1050 C1089D960-C1082 HydrophobicContact CB-CB 4.24Å; Y1050-C1082 HydrophobicContact CD1-CB 4.09Å; Y1050-C1082 HydrophobicContact CE1-CB 3.91Å; C1082-C1089 WeakPolarHBondContact CA-SG 3.47Å; C1082-C1089 HydrophobicContact CB-CB 3.69Å; C1082-C1089 WeakPolarHBondContact CB-SG 3.35Å; C1082-C1089 WeakPolarHBondContact SG-CB 3.28Å; C1082-C1089 CovalentContact SG-SG 2.01Å; C1082-C1089 PolarHBondContact SG-SG 3.05Å
1083Y86.3Confident84Confident94 Ų9441 Ų4137%0.36920%0.203SC..THydrogen-bonded Turntrans-97.51.2-179.2-56.3-79.1000113.1D960 Y1050 P1051 S1081 T1134D960-Y1083 WeakPolarHBondContact OD2-CE2 3.32Å; D960-Y1083 PolarHBondContact OD2-OH 3.33Å; Y1050-Y1083 HydrophobicContact CD1-CE1 4.33Å; P1051-Y1083 WeakPolarHBondContact CG-O 3.46Å; S1081-Y1083 PolarHBondContact O-N 3.47Å; S1081-Y1083 VanDerWaalsContact O-N 3.15Å; S1081-Y1083 PolarHBondContact OG-N 2.84Å; S1081-Y1083 VanDerWaalsContact OG-N 3.1Å; Y1083-T1134 HydrophobicContact CE2-CG2 4.45Å
1084N81.5Confident85.8Confident79 Ų7936 Ų3642%0.42217%0.172SC..THydrogen-bonded Turntrans-91.8-8.4175.7-64.38000112.8T1079 S1081 R1086T1079-N1084 PolarHBondContact O-ND2 3.45Å; S1081-N1084 PolarHBondContact O-N 2.78Å; S1081-N1084 VanDerWaalsContact O-N 3.08Å; S1081-N1084 PolarHBondContact OG-N 3.04Å; S1081-N1084 PolarHBondContact OG-OD1 3.47Å; N1084-R1086 PolarHBondContact O-N 2.87Å
1085G77.7Confident87.4Confident2 Ų231.5 Ų31.52%0.02115%0.148CC..THydrogen-bonded Turntrans75.611.1179.200000115.7L1053 S1054L1053-G1085 CarbonylContact C-O 3.46Å; L1053-G1085 WeakPolarHBondContact CA-O 3.24Å; L1053-G1085 WeakPolarHBondContact CD2-O 3.38Å; S1054-G1085 PolarHBondContact N-O 2.85Å
1086R80.5Confident87.9Confident36 Ų3626.3 Ų26.314%0.13613%0.129CC..SBendtrans-100.2-16.2-179.4-92.2-76.5-162.4-176.412.1114.9F965 A966 S1054 E1055 K1056 N1084F965-R1086 HydrophobicContact CE2-CB 4.42Å; A966-R1086 PolarHBondContact N-O 3.09Å; A966-R1086 VanDerWaalsContact N-O 3.08Å; S1054-R1086 WeakPolarHBondContact O-CD 3.23Å; S1054-R1086 PolarHBondContact O-NE 3.04Å; E1055-R1086 PolarHBondContact O-NH2 3.41Å; K1056-R1086 VanDerWaalsContact C-NH2 3.28Å; K1056-R1086 PolarHBondContact O-NE 3.31Å; N1084-R1086 PolarHBondContact O-N 2.87Å
1087I86.8Confident87.8Confident7 Ų723 Ų234%0.03612%0.12CC..EExtended strand (participates in β ladder)trans-124.4145.3-173.358.3179000109.1P962 E964 F965 L977 I1080 S1081P962-I1087 HydrophobicContact CB-CD1 3.62Å; E964-I1087 CarbonylContact O-C 3.55Å; E964-I1087 VanDerWaalsContact O-CA 3.3Å; E964-I1087 WeakPolarHBondContact O-CA 3.26Å; F965-I1087 HydrophobicContact CD2-CG2 4.11Å; L977-I1087 HydrophobicContact CD2-CG2 3.9Å; I1080-I1087 HydrophobicContact CB-CG2 4.48Å; S1081-I1087 WeakPolarHBondContact O-CD1 3.38Å; S1081-I1087 WeakPolarHBondContact O-CG1 3.44Å
1088R87.2Confident87.6Confident54 Ų5428.6 Ų28.620%0.20414%0.144CC..EExtended strand (participates in β ladder)trans-90.6112.2172.7-65.5176.6175.1-179.1-3.3107.8F963 E964 E971 P972 H973 L1053F963-R1088 PolarHBondContact N-O 2.82Å; F963-R1088 VanDerWaalsContact N-O 3.12Å; E964-R1088 HydrophobicContact CB-CB 4.2Å; E964-R1088 PolarHBondContact N-O 2.81Å; E964-R1088 PolarHBondContact O-N 3Å; E964-R1088 WeakPolarHBondContact OE2-CD 3.48Å; E964-R1088 IonicContact OE2-NH1 3.7Å; E971-R1088 VanDerWaalsContact O-CZ 3.28Å; E971-R1088 PolarHBondContact O-NH1 3.2Å; E971-R1088 VanDerWaalsContact O-NH1 3.1Å; E971-R1088 PolarHBondContact O-NH2 3.24Å; P972-R1088 PolarHBondContact O-NH1 2.93Å; H973-R1088 VanDerWaalsContact CA-NH1 3.28Å; L1053-R1088 HydrophobicContact CD1-CG 4.35Å; L1053-R1088 HydrophobicContact CD2-CG 4.27Å
1089C90.2Very high87.3Confident16 Ų1628.5 Ų28.511%0.10814%0.143CC..EExtended strand (participates in β ladder)trans-99.3148.5178.5-63.70000111.7W961 Y1050 C1082W961-C1089 WeakPolarHBondContact O-CA 3.44Å; Y1050-C1089 HydrophobicContact CD2-CB 4.44Å; Y1050-C1089 HydrophobicContact CE1-CB 4.2Å; Y1050-C1089 HydrophobicContact CE2-CB 3.89Å; Y1050-C1089 WeakPolarHBondContact CE2-O 3.43Å; C1082-C1089 WeakPolarHBondContact CA-SG 3.47Å; C1082-C1089 HydrophobicContact CB-CB 3.69Å; C1082-C1089 WeakPolarHBondContact CB-SG 3.35Å; C1082-C1089 WeakPolarHBondContact SG-CB 3.28Å; C1082-C1089 CovalentContact SG-SG 2.01Å; C1082-C1089 PolarHBondContact SG-SG 3.05Å
1090V89.9Confident87Confident12 Ų1228 Ų287%0.07314%0.142CC..EExtended strand (participates in β ladder)trans-115.7122171.1179.50000107W961 F963 A1010 K1013 V1014 I1092W961-V1090 WeakPolarHBondContact CB-O 3.42Å; W961-V1090 PolarHBondContact N-O 3.4Å; W961-V1090 PolarHBondContact O-N 2.79Å; F963-V1090 HydrophobicContact CB-CG2 4.32Å; A1010-V1090 HydrophobicContact CB-CG1 3.99Å; K1013-V1090 HydrophobicContact CD-CG2 4.27Å; V1014-V1090 HydrophobicContact CG1-CB 3.85Å; V1014-V1090 HydrophobicContact CG1-CG1 4.03Å; V1014-V1090 HydrophobicContact CG1-CG2 3.71Å; V1090-I1092 PolarHBondContact O-N 3.42Å
1091P90.7Very high86.5Confident29 Ų2932.2 Ų32.219%0.18816%0.158CC..EExtended strand (participates in β ladder)trans-74.2112.8175.729.1-30.1000108.6I958 V1093I958-P1091 HydrophobicContact CG2-CB 4.17Å; P1091-V1093 PolarHBondContact O-N 2.91Å
1092I92.4Very high85.8Confident0 Ų040.6 Ų40.60%019%0.193CC..EExtended strand (participates in β ladder)trans-87.4107.1172.3-57176.5000107.1I959 W961 L980 L1011 V1014 V1090 F1110I959-I1092 HydrophobicContact CB-CB 4.48Å; I959-I1092 PolarHBondContact N-O 3.43Å; I959-I1092 PolarHBondContact O-N 3.01Å; W961-I1092 HydrophobicContact CB-CD1 3.69Å; W961-I1092 HydrophobicContact CB-CG1 4.01Å; W961-I1092 HydrophobicContact CD2-CD1 4.14Å; W961-I1092 HydrophobicContact CE3-CD1 4.34Å; W961-I1092 HydrophobicContact CG-CD1 3.87Å; L980-I1092 HydrophobicContact CD2-CD1 4.28Å; L1011-I1092 HydrophobicContact CD2-CD1 4.21Å; L1011-I1092 HydrophobicContact CD2-CG2 4.01Å; L1011-I1092 HydrophobicContact CG-CG2 4.37Å; V1014-I1092 HydrophobicContact CG2-CD1 4.22Å; V1090-I1092 PolarHBondContact O-N 3.42Å; I1092-F1110 HydrophobicContact CD1-CD1 4.34Å; I1092-F1110 HydrophobicContact CD1-CE1 3.77Å; I1092-F1110 HydrophobicContact CG2-CE1 4.17Å; I1092-F1110 HydrophobicContact CG2-CZ 4.34Å
1093V92Very high85.1Confident6 Ų641.9 Ų41.94%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-93.9127.3178.9-1760000109.5I958 C1006 D1007 I1040 I1042 P1091I958-V1093 HydrophobicContact CG1-CG2 4.36Å; I958-V1093 HydrophobicContact CG2-CG2 4.44Å; C1006-V1093 WeakPolarHBondContact CA-O 3.49Å; D1007-V1093 PolarHBondContact N-O 3.43Å; I1040-V1093 HydrophobicContact CG2-CG1 4.49Å; I1042-V1093 HydrophobicContact CD1-CB 4.47Å; I1042-V1093 HydrophobicContact CD1-CG2 3.63Å; I1042-V1093 HydrophobicContact CG1-CG2 4.2Å; P1091-V1093 PolarHBondContact O-N 2.91Å
1094C93.2Very high84.8Confident0 Ų038.2 Ų38.20%020%0.195CC..EExtended strand (participates in β ladder)trans-125.2119.8175.7-60.50000110.7R956 L957 V1004 V1005 C1006 L1096 L1108R956-C1094 CarbonylContact C-O 3.54Å; R956-C1094 WeakPolarHBondContact CA-O 3.3Å; L957-C1094 PolarHBondContact N-O 3Å; L957-C1094 PolarHBondContact O-N 2.89Å; V1004-C1094 HydrophobicContact CG1-CB 4.2Å; V1005-C1094 CarbonylContact O-C 3.5Å; V1005-C1094 WeakPolarHBondContact O-CA 3.23Å; C1006-C1094 HydrophobicContact CB-CB 4.1Å; C1006-C1094 WeakPolarHBondContact CB-SG 3.48Å; C1006-C1094 WeakPolarHBondContact SG-CB 3.44Å; C1006-C1094 CovalentContact SG-SG 2.04Å; C1006-C1094 PolarHBondContact SG-SG 3.17Å; C1094-L1096 PolarHBondContact O-N 3.37Å; C1094-L1108 HydrophobicContact CB-CD1 3.79Å
1095D91.7Very high85.1Confident46 Ų4636 Ų3625%0.24619%0.185CC..EExtended strand (participates in β ladder)trans-71.1115.2168.7-72.7-14.5000108.2R956 V1004 V1005R956-D1095 VanDerWaalsContact CD-OD1 3.3Å; R956-D1095 WeakPolarHBondContact CD-OD1 3.27Å; R956-D1095 VanDerWaalsContact CG-OD1 3.22Å; R956-D1095 WeakPolarHBondContact CG-OD1 3.1Å; R956-D1095 IonicContact CZ-OD1 2.87Å; R956-D1095 IonicContact NE-OD1 2.63Å; R956-D1095 PolarHBondContact NE-OD1 3.08Å; R956-D1095 IonicContact NH2-OD1 3.81Å; V1004-D1095 CarbonylContact C-O 3.48Å; V1004-D1095 WeakPolarHBondContact CA-O 3.44Å; V1005-D1095 PolarHBondContact N-O 3.02Å; V1005-D1095 PolarHBondContact O-N 3.12Å
1096L88.9Confident85.7Confident0 Ų036 Ų360%018%0.184CC..  trans-82.5-19179.1-58.5-178.3000112.6V943 S955 L957 S1003 V1004 C1094 I1106 L1108V943-L1096 HydrophobicContact CB-CD1 3.91Å; V943-L1096 HydrophobicContact CG1-CD1 3.91Å; V943-L1096 HydrophobicContact CG2-CD1 3.92Å; S955-L1096 PolarHBondContact O-N 3.32Å; L957-L1096 HydrophobicContact CB-CD1 4.08Å; L957-L1096 HydrophobicContact CB-CD2 4.03Å; L957-L1096 HydrophobicContact CB-CG 4.1Å; S1003-L1096 PolarHBondContact OG-O 2.05Å; V1004-L1096 HydrophobicContact CG1-CD2 4.29Å; V1004-L1096 HydrophobicContact CG2-CD2 4.31Å; C1094-L1096 PolarHBondContact O-N 3.37Å; L1096-I1106 HydrophobicContact CB-CD1 4.25Å; L1096-I1106 HydrophobicContact CD2-CG2 4.2Å; L1096-L1108 HydrophobicContact CD2-CD1 4.49Å
1097G83.9Confident86.1Confident21 Ų2134.9 Ų34.922%0.21618%0.182CC..  trans74.4-143.1-171.900000112.4A954 S955 L1099A954-G1097 WeakPolarHBondContact CA-O 3.48Å; S955-G1097 PolarHBondContact N-O 3.44Å; S955-G1097 PolarHBondContact OG-O 3.34Å; G1097-L1099 PolarHBondContact O-N 2.67Å
1098K81.3Confident86.4Confident142 Ų14234.6 Ų34.662%0.61718%0.18SC*.  trans-70.9123.1-174.9-68.1178-177.6177.90111.3L951 I952 P953L951-K1098 HydrophobicContact CD1-CB 4.37Å; I952-K1098 CarbonylContact O-C 3.59Å; I952-K1098 VanDerWaalsContact O-CA 3.28Å; I952-K1098 WeakPolarHBondContact O-CA 3.38Å; P953-K1098 WeakPolarHBondContact O-CG 3.28Å
1099L83.2Confident86.6Confident0 Ų032.6 Ų32.60%017%0.173CC..EExtended strand (participates in β ladder)trans-111.7106.5176-164.972.7000110.4V902 V943 N945 I952 G1097 I1106 W1137V902-L1099 HydrophobicContact CG1-CD2 3.95Å; V902-L1099 HydrophobicContact CG2-CD2 4.17Å; V943-L1099 HydrophobicContact CG1-CD1 4.39Å; V943-L1099 HydrophobicContact CG1-CD2 3.86Å; N945-L1099 HydrophobicContact CB-CD2 3.97Å; N945-L1099 HydrophobicContact CB-CG 3.88Å; N945-L1099 PolarHBondContact ND2-O 2.97Å; I952-L1099 HydrophobicContact CB-CB 4.28Å; I952-L1099 HydrophobicContact CD1-CD2 4.49Å; I952-L1099 PolarHBondContact N-O 3.21Å; I952-L1099 PolarHBondContact O-N 2.94Å; G1097-L1099 PolarHBondContact O-N 2.67Å; L1099-I1106 HydrophobicContact CD1-CD1 4.2Å; L1099-W1137 HydrophobicContact CD2-CZ2 4.42Å
1100S81.4Confident86.8Confident28 Ų2831.8 Ų31.820%0.19617%0.168CC..EExtended strand (participates in β ladder)trans-120.8151.2176.7-177.60000110.5K1102 A1103S1100-K1102 PolarHBondContact O-N 2.84Å; S1100-K1102 VanDerWaalsContact O-N 3.15Å; S1100-K1102 PolarHBondContact OG-N 2.88Å; S1100-A1103 PolarHBondContact O-N 3.07Å
1101Y80Confident86.8Confident91 Ų9131.5 Ų31.536%0.35717%0.166SC..G310 helixtrans-50.3-36168.6-178.2-93.9000113K948K948-Y1101 HydrophobicContact CG-CD1 4.46Å; K948-Y1101 HydrophobicContact CG-CD2 4.47Å; K948-Y1101 HydrophobicContact CG-CE1 4.38Å; K948-Y1101 HydrophobicContact CG-CE2 4.37Å
1102K74.5Confident86.9Confident185 Ų18530.2 Ų30.280%0.80416%0.157SC*.G310 helixtrans-76-23.5-179.9-69.7-172.3178.9-178.10114.2S1100 G1104S1100-K1102 PolarHBondContact O-N 2.84Å; S1100-K1102 VanDerWaalsContact O-N 3.15Å; S1100-K1102 PolarHBondContact OG-N 2.88Å; K1102-G1104 PolarHBondContact O-N 2.67Å
1103A73.6Confident86.8Confident32 Ų3230.7 Ų30.726%0.26416%0.159SC..G310 helixtrans-75.2-10.1-174.800000113.3S1100S1100-A1103 PolarHBondContact O-N 3.07Å
1104G80.7Confident86.7Confident16 Ų1630.5 Ų30.517%0.16516%0.158CC..  trans74.5-178.2-175.900000113.1K1102K1102-G1104 PolarHBondContact O-N 2.67Å
1105P86.6Confident86.6Confident33 Ų3331 Ų3121%0.21416%0.16CC..  trans-73.3140.8174.929-31.5000111.5T942 V943 R944T942-P1105 HydrophobicContact CG2-CB 3.48Å; T942-P1105 VanDerWaalsContact CG2-CB 3.48Å; V943-P1105 WeakPolarHBondContact O-CA 3.49Å; R944-P1105 HydrophobicContact CB-CB 4.36Å
1106I90.6Very high86.3Confident1 Ų129.2 Ų29.21%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-102.6123.7169.5-60.1172.7000107.5T942 V943 V986 Q988 V1004 L1096 L1099T942-I1106 CarbonylContact C-O 3.51Å; T942-I1106 VanDerWaalsContact CA-O 3.3Å; T942-I1106 WeakPolarHBondContact CA-O 3.45Å; V943-I1106 PolarHBondContact N-O 3.01Å; V943-I1106 PolarHBondContact O-N 3.07Å; V986-I1106 HydrophobicContact CG1-CG2 4.27Å; Q988-I1106 HydrophobicContact CG-CG1 4.38Å; V1004-I1106 HydrophobicContact CG2-CG2 3.76Å; L1096-I1106 HydrophobicContact CB-CD1 4.25Å; L1096-I1106 HydrophobicContact CD2-CG2 4.2Å; L1099-I1106 HydrophobicContact CD1-CD1 4.2Å
1107T90.1Very high86.1Confident14 Ų1429.9 Ų29.99%0.08615%0.153CC..EExtended strand (participates in β ladder)trans-116.5127.4179.3-54.10000111.1K940 F941 T942 I987K940-T1107 HydrophobicContact CB-CG2 3.86Å; K940-T1107 HydrophobicContact CG-CG2 4.43Å; F941-T1107 CarbonylContact O-C 3.36Å; F941-T1107 VanDerWaalsContact O-CA 3.24Å; F941-T1107 WeakPolarHBondContact O-CA 3.34Å; T942-T1107 WeakPolarHBondContact CG2-OG1 3.26Å; T942-T1107 WeakPolarHBondContact OG1-CG2 3.28Å; T942-T1107 PolarHBondContact OG1-OG1 3.25Å; I987-T1107 PolarHBondContact N-O 3.08Å; I987-T1107 PolarHBondContact O-N 3.45Å
1108L93Very high86.2Confident0 Ų029 Ų290%014%0.144CC..EExtended strand (participates in β ladder)trans-100.8125.2172-57.2-172.9000110.6K940 F941 L957 I959 Y985 V986 V1004 C1094 L1096 F1110K940-L1108 CarbonylContact C-O 3.57Å; K940-L1108 VanDerWaalsContact CA-O 3.26Å; K940-L1108 WeakPolarHBondContact CA-O 3.49Å; F941-L1108 PolarHBondContact N-O 3.12Å; F941-L1108 PolarHBondContact O-N 3.44Å; L957-L1108 HydrophobicContact CD2-CD1 3.91Å; L957-L1108 HydrophobicContact CD2-CG 4.34Å; I959-L1108 HydrophobicContact CD1-CD1 4.21Å; Y985-L1108 CarbonylContact O-C 3.43Å; Y985-L1108 WeakPolarHBondContact O-CA 3.4Å; V986-L1108 HydrophobicContact CB-CD2 4.38Å; V986-L1108 HydrophobicContact CG1-CD2 4.39Å; V986-L1108 HydrophobicContact CG2-CD2 3.79Å; V1004-L1108 HydrophobicContact CG1-CD2 3.85Å; V1004-L1108 HydrophobicContact CG2-CD2 4.43Å; C1094-L1108 HydrophobicContact CB-CD1 3.79Å; L1096-L1108 HydrophobicContact CD2-CD1 4.49Å; L1108-F1110 HydrophobicContact CB-CD2 4.36Å; L1108-F1110 HydrophobicContact CB-CE2 3.65Å; L1108-F1110 HydrophobicContact CD1-CE2 4.35Å
1109E91.3Very high86.5Confident12 Ų1222.2 Ų22.26%0.05612%0.115CC..EExtended strand (participates in β ladder)trans-107.4115.2-178.6-175.2-177.2-167.400110.4V938 G939 K940 P984 Y985 I987 I1111V938-E1109 HydrophobicContact CG1-CG 3.38Å; V938-E1109 WeakPolarHBondContact CG1-OE1 3.41Å; G939-E1109 CarbonylContact O-C 3.42Å; G939-E1109 WeakPolarHBondContact O-CA 3.48Å; K940-E1109 HydrophobicContact CG-CB 4.33Å; K940-E1109 HydrophobicContact CG-CG 4.13Å; P984-E1109 CarbonylContact C-O 3.52Å; P984-E1109 WeakPolarHBondContact CA-O 3.32Å; P984-E1109 WeakPolarHBondContact CB-O 3.44Å; Y985-E1109 PolarHBondContact N-O 2.78Å; Y985-E1109 PolarHBondContact O-N 3.46Å; I987-E1109 HydrophobicContact CD1-CB 4.47Å; E1109-I1111 HydrophobicContact CG-CG1 4.39Å
1110F93.4Very high86.5Confident0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-104.7123.8178.7-70.3-100.5000110V938 G939 F941 I959 W961 L980 P984 I1092 L1108V938-F1110 CarbonylContact C-O 3.56Å; V938-F1110 VanDerWaalsContact CA-O 3.31Å; V938-F1110 WeakPolarHBondContact CA-O 3.13Å; G939-F1110 PolarHBondContact N-O 3.05Å; G939-F1110 PolarHBondContact O-N 3.22Å; F941-F1110 AromaticContact CD2-CD2 3.96Å; F941-F1110 HydrophobicContact CD2-CD2 3.96Å; F941-F1110 HydrophobicContact CD2-CE2 4.09Å; F941-F1110 HydrophobicContact CE2-CD2 4.15Å; F941-F1110 HydrophobicContact CE2-CE2 4.5Å; I959-F1110 HydrophobicContact CD1-CD2 4.2Å; I959-F1110 HydrophobicContact CD1-CE1 4.45Å; I959-F1110 HydrophobicContact CD1-CE2 3.18Å; I959-F1110 HydrophobicContact CD1-CZ 3.35Å; W961-F1110 HydrophobicContact CE3-CD1 4.08Å; W961-F1110 HydrophobicContact CE3-CG 4.45Å; W961-F1110 HydrophobicContact CH2-CB 3.68Å; W961-F1110 HydrophobicContact CH2-CD1 4.28Å; W961-F1110 HydrophobicContact CH2-CG 4.3Å; W961-F1110 HydrophobicContact CZ3-CB 3.55Å; W961-F1110 AromaticContact CZ3-CD1 3.75Å; W961-F1110 HydrophobicContact CZ3-CD1 3.75Å; W961-F1110 AromaticContact CZ3-CG 3.75Å; W961-F1110 HydrophobicContact CZ3-CG 3.75Å; L980-F1110 HydrophobicContact CD1-CB 4.18Å; L980-F1110 HydrophobicContact CD1-CD1 4.04Å; L980-F1110 HydrophobicContact CD2-CD1 4.31Å; P984-F1110 HydrophobicContact CB-CD1 3.8Å; P984-F1110 HydrophobicContact CB-CD2 4.11Å; P984-F1110 HydrophobicContact CB-CE1 3.63Å; P984-F1110 HydrophobicContact CB-CE2 3.94Å; P984-F1110 HydrophobicContact CB-CG 4.02Å; P984-F1110 HydrophobicContact CB-CZ 3.69Å; P984-F1110 HydrophobicContact CG-CD1 4.23Å; P984-F1110 HydrophobicContact CG-CE1 3.65Å; P984-F1110 HydrophobicContact CG-CE2 4.5Å; P984-F1110 HydrophobicContact CG-CZ 3.79Å; I1092-F1110 HydrophobicContact CD1-CD1 4.34Å; I1092-F1110 HydrophobicContact CD1-CE1 3.77Å; I1092-F1110 HydrophobicContact CG2-CE1 4.17Å; I1092-F1110 HydrophobicContact CG2-CZ 4.34Å; L1108-F1110 HydrophobicContact CB-CD2 4.36Å; L1108-F1110 HydrophobicContact CB-CE2 3.65Å; L1108-F1110 HydrophobicContact CD1-CE2 4.35Å
1111I91.3Very high86.5Confident6 Ų627.5 Ų27.53%0.03114%0.135CC..EExtended strand (participates in β ladder)trans-110.3112.4-177.1-55.7174.1000109I937 V938 L980 L981 E982 Y985 E1109I937-I1111 WeakPolarHBondContact O-CA 3.45Å; V938-I1111 HydrophobicContact CG2-CG1 4.41Å; L980-I1111 WeakPolarHBondContact CD1-O 3.29Å; L981-I1111 HydrophobicContact CD1-CG2 4.19Å; L981-I1111 PolarHBondContact N-O 3.28Å; E982-I1111 HydrophobicContact CG-CB 4.44Å; E982-I1111 VanDerWaalsContact OE1-CD1 3.3Å; E982-I1111 WeakPolarHBondContact OE1-CD1 3.38Å; Y985-I1111 HydrophobicContact CD2-CD1 4.02Å; Y985-I1111 HydrophobicContact CE2-CD1 3.95Å; E1109-I1111 HydrophobicContact CG-CG1 4.39Å
1112A92.5Very high86.6Confident1 Ų125.6 Ų25.61%0.00813%0.131CC..EExtended strand (participates in β ladder)trans-131.6164.5-175.100000111.9R936 I937 W961 L978 Y979 L980R936-A1112 CarbonylContact C-O 3.56Å; R936-A1112 WeakPolarHBondContact CA-O 3.23Å; I937-A1112 PolarHBondContact N-O 3.15Å; I937-A1112 PolarHBondContact O-N 3.04Å; W961-A1112 HydrophobicContact CH2-CB 3.84Å; W961-A1112 HydrophobicContact CZ2-CB 3.57Å; L978-A1112 HydrophobicContact CD1-CB 3.76Å; L978-A1112 HydrophobicContact CD2-CB 4.44Å; L978-A1112 HydrophobicContact CG-CB 3.79Å; Y979-A1112 CarbonylContact O-C 3.54Å; Y979-A1112 WeakPolarHBondContact O-CA 3.26Å; Y979-A1112 WeakPolarHBondContact O-CB 3.47Å; L980-A1112 HydrophobicContact CD1-CB 4.4Å
1113R90.7Very high87.2Confident11 Ų1116.8 Ų16.84%0.0429%0.093CC..EExtended strand (participates in β ladder)trans-118.1145.2165.5-75.4-175.3-178.6-97.21.5109.8E929 I932 G933 D934 R936 Y979 L981E929-R1113 WeakPolarHBondContact O-CD 3.49Å; E929-R1113 PolarHBondContact O-NE 2.67Å; E929-R1113 IonicContact OE1-NH2 3.38Å; E929-R1113 IonicContact OE2-CZ 3.57Å; E929-R1113 IonicContact OE2-NE 3.91Å; E929-R1113 PolarHBondContact OE2-NE 3.23Å; E929-R1113 IonicContact OE2-NH2 3.72Å; E929-R1113 PolarHBondContact OE2-NH2 3.15Å; I932-R1113 HydrophobicContact CG2-CB 4.01Å; G933-R1113 PolarHBondContact O-NH1 3.05Å; D934-R1113 PolarHBondContact O-NH1 2.86Å; D934-R1113 VanDerWaalsContact O-NH1 3.12Å; R936-R1113 HydrophobicContact CG-CG 4.08Å; Y979-R1113 PolarHBondContact N-O 2.85Å; Y979-R1113 PolarHBondContact O-N 3.25Å; L981-R1113 HydrophobicContact CD1-CG 4.03Å; L981-R1113 HydrophobicContact CD2-CG 4.27Å; L981-R1113 HydrophobicContact CG-CG 4.37Å
1114L90Very high87.4Confident2 Ų219 Ų191%0.0110%0.1CC..EExtended strand (participates in β ladder)trans-72129.8168.3-176.263.6000109I913 I937 L977 E1116 M1119 I1161I913-L1114 HydrophobicContact CD1-CD2 4.47Å; I913-L1114 HydrophobicContact CG2-CD2 3.98Å; I937-L1114 HydrophobicContact CD1-CB 4.15Å; L977-L1114 HydrophobicContact CD1-CD1 4.34Å; L1114-E1116 PolarHBondContact O-N 2.98Å; L1114-M1119 HydrophobicContact CD1-CE 3.74Å; L1114-M1119 HydrophobicContact CD1-CG 4.22Å; L1114-M1119 HydrophobicContact CD2-CG 4Å; L1114-M1119 HydrophobicContact CG-CG 4.14Å; L1114-I1161 HydrophobicContact CD1-CD1 3.68Å; L1114-I1161 HydrophobicContact CD2-CB 4.48Å; L1114-I1161 HydrophobicContact CD2-CD1 3.84Å; L1114-I1161 HydrophobicContact CD2-CG1 4.12Å; L1114-I1161 HydrophobicContact CD2-CG2 3.57Å; L1114-I1161 HydrophobicContact CG-CD1 4.43Å
1115W89.1Confident87.3Confident10 Ų1027.2 Ų27.24%0.03813%0.131CC..  trans-76.993.3175-162.7-85.7000109.9I923 M926 I932 Y976 L977 Y979 F1020 N1117 T1118 M1119I923-W1115 HydrophobicContact CD1-CZ2 4.47Å; I923-W1115 HydrophobicContact CG1-CH2 4.17Å; I923-W1115 HydrophobicContact CG1-CZ2 3.67Å; M926-W1115 HydrophobicContact CE-CZ2 4.19Å; M926-W1115 HydrophobicContact SD-CH2 3.75Å; M926-W1115 HydrophobicContact SD-CZ2 3.68Å; I932-W1115 HydrophobicContact CB-CE3 4.47Å; I932-W1115 HydrophobicContact CD1-CZ3 4.31Å; I932-W1115 HydrophobicContact CG1-CZ3 4.06Å; I932-W1115 HydrophobicContact CG2-CD2 4.1Å; I932-W1115 HydrophobicContact CG2-CE3 3.44Å; I932-W1115 VanDerWaalsContact CG2-CE3 3.44Å; I932-W1115 HydrophobicContact CG2-CZ3 3.87Å; Y976-W1115 HydrophobicContact CD2-CD2 4.4Å; Y976-W1115 HydrophobicContact CD2-CE3 4.26Å; Y976-W1115 HydrophobicContact CD2-CH2 4.15Å; Y976-W1115 HydrophobicContact CD2-CZ2 4.26Å; Y976-W1115 HydrophobicContact CD2-CZ3 4.14Å; Y976-W1115 HydrophobicContact CG-CD2 4.41Å; Y976-W1115 HydrophobicContact CG-CE3 4.2Å; Y976-W1115 HydrophobicContact CG-CZ3 4.43Å; Y976-W1115 WeakPolarHBondContact O-CB 3.42Å; L977-W1115 WeakPolarHBondContact O-CB 2.97Å; L977-W1115 PolarHBondContact O-N 2.8Å; Y979-W1115 AromaticContact CD2-CE3 3.78Å; Y979-W1115 HydrophobicContact CD2-CE3 3.78Å; Y979-W1115 AromaticContact CD2-CZ3 3.61Å; Y979-W1115 HydrophobicContact CD2-CZ3 3.61Å; Y979-W1115 AromaticContact CE2-CZ3 3.89Å; Y979-W1115 HydrophobicContact CE2-CZ3 3.89Å; Y979-W1115 HydrophobicContact CG-CE3 4.09Å; Y979-W1115 HydrophobicContact CG-CZ3 4.13Å; F1020-W1115 AromaticContact CE2-CH2 3.82Å; F1020-W1115 HydrophobicContact CE2-CH2 3.82Å; F1020-W1115 AromaticContact CE2-CZ3 3.92Å; F1020-W1115 HydrophobicContact CE2-CZ3 3.92Å; F1020-W1115 HydrophobicContact CZ-CH2 4.1Å; W1115-N1117 PolarHBondContact O-N 3.08Å; W1115-T1118 PolarHBondContact O-N 3.01Å; W1115-M1119 PolarHBondContact O-N 3.31Å
1116E85.6Confident87.2Confident8 Ų825.8 Ų25.84%0.03712%0.122CC..Hα-helixtrans-63.5-29.8-171.4-76.1-175.7-164.100113.1F915 I932 G933 D934 L1114 T1118 M1119 R1120F915-E1116 HydrophobicContact CB-CG 4.2Å; I932-E1116 PolarHBondContact O-N 2.95Å; G933-E1116 WeakPolarHBondContact CA-OE1 3.08Å; D934-E1116 PolarHBondContact N-OE1 3.3Å; L1114-E1116 PolarHBondContact O-N 2.98Å; E1116-T1118 VanDerWaalsContact C-N 3.32Å; E1116-T1118 PolarHBondContact O-N 2.81Å; E1116-M1119 WeakPolarHBondContact O-CB 3.45Å; E1116-M1119 PolarHBondContact O-N 3.31Å; E1116-M1119 VanDerWaalsContact O-N 3.17Å; E1116-R1120 VanDerWaalsContact O-CG 3.27Å; E1116-R1120 WeakPolarHBondContact O-CG 3.35Å; E1116-R1120 PolarHBondContact O-N 3.27Å; E1116-R1120 IonicContact OE2-CZ 2.84Å; E1116-R1120 IonicContact OE2-NE 2.83Å; E1116-R1120 IonicContact OE2-NH2 3.7Å; E1116-R1120 PolarHBondContact OE2-NH2 3.22Å
1117N84.7Confident86.8Confident14 Ų1427.6 Ų27.68%0.07513%0.129CC..Hα-helixtrans-63.3-36.8178.6-82.5-10000112.6V919 S920 D921 M926 W1115 M1119 R1120 E1121V919-N1117 HydrophobicContact CG1-CB 4.4Å; S920-N1117 PolarHBondContact N-OD1 3.09Å; S920-N1117 PolarHBondContact O-ND2 3.18Å; D921-N1117 PolarHBondContact O-ND2 3.46Å; M926-N1117 WeakPolarHBondContact CE-ND2 3.33Å; W1115-N1117 PolarHBondContact O-N 3.08Å; N1117-M1119 VanDerWaalsContact C-N 3.32Å; N1117-R1120 PolarHBondContact O-N 3.35Å; N1117-E1121 WeakPolarHBondContact O-CB 3.45Å; N1117-E1121 PolarHBondContact O-N 3.22Å
1118T87Confident86.7Confident3 Ų327.6 Ų27.62%0.01813%0.129CC..Hα-helixtrans-68-38176-58.70000110.1F965 K975 Y976 W1115 E1116 E1121 D1122F965-T1118 HydrophobicContact CB-CG2 4.03Å; K975-T1118 HydrophobicContact CB-CG2 3.88Å; K975-T1118 HydrophobicContact CD-CG2 4.41Å; Y976-T1118 VanDerWaalsContact O-CB 3.25Å; Y976-T1118 WeakPolarHBondContact O-CB 3.28Å; Y976-T1118 PolarHBondContact O-OG1 3.39Å; W1115-T1118 PolarHBondContact O-N 3.01Å; E1116-T1118 VanDerWaalsContact C-N 3.32Å; E1116-T1118 PolarHBondContact O-N 2.81Å; T1118-E1121 PolarHBondContact O-N 3.08Å; T1118-D1122 PolarHBondContact O-N 2.77Å
1119M87Confident86.5Confident0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-64.9-43.6174-70.6-64.8164.200112.5F915 L977 L1114 W1115 E1116 N1117 E1121 F1123 L1124 I1161F915-M1119 HydrophobicContact CD1-CB 3.9Å; F915-M1119 HydrophobicContact CD1-CG 4.37Å; F915-M1119 HydrophobicContact CD2-CB 3.8Å; F915-M1119 HydrophobicContact CE1-CB 3.91Å; F915-M1119 HydrophobicContact CE1-CG 4.43Å; F915-M1119 HydrophobicContact CE1-SD 4.39Å; F915-M1119 HydrophobicContact CE2-CB 3.81Å; F915-M1119 WeakPolarHBondContact CE2-O 3.32Å; F915-M1119 HydrophobicContact CG-CB 3.85Å; F915-M1119 HydrophobicContact CZ-CB 3.86Å; L977-M1119 HydrophobicContact CD1-CE 3.25Å; L1114-M1119 HydrophobicContact CD1-CE 3.74Å; L1114-M1119 HydrophobicContact CD1-CG 4.22Å; L1114-M1119 HydrophobicContact CD2-CG 4Å; L1114-M1119 HydrophobicContact CG-CG 4.14Å; W1115-M1119 PolarHBondContact O-N 3.31Å; E1116-M1119 WeakPolarHBondContact O-CB 3.45Å; E1116-M1119 PolarHBondContact O-N 3.31Å; E1116-M1119 VanDerWaalsContact O-N 3.17Å; N1117-M1119 VanDerWaalsContact C-N 3.32Å; M1119-E1121 VanDerWaalsContact C-N 3.28Å; M1119-E1121 PolarHBondContact O-N 3.45Å; M1119-F1123 HydrophobicContact CE-CD2 4.29Å; M1119-F1123 HydrophobicContact CE-CE2 4.29Å; M1119-F1123 CarbonylContact O-C 3.51Å; M1119-F1123 VanDerWaalsContact O-C 3.29Å; M1119-F1123 VanDerWaalsContact O-CA 3.29Å; M1119-F1123 WeakPolarHBondContact O-CA 3.3Å; M1119-F1123 WeakPolarHBondContact O-CB 3.48Å; M1119-F1123 PolarHBondContact O-N 2.79Å; M1119-F1123 HydrophobicContact SD-CB 3.95Å; M1119-F1123 HydrophobicContact SD-CD2 3.59Å; M1119-F1123 VanDerWaalsContact SD-CD2 3.59Å; M1119-F1123 HydrophobicContact SD-CE2 4.18Å; M1119-F1123 HydrophobicContact SD-CG 3.77Å; M1119-L1124 PolarHBondContact O-N 3.27Å; M1119-I1161 HydrophobicContact CE-CD1 3.75Å; M1119-I1161 HydrophobicContact CE-CG2 4.48Å; M1119-I1161 HydrophobicContact CG-CG2 4.44Å; M1119-I1161 HydrophobicContact SD-CG2 4.11Å
1120R82.7Confident86.5Confident28 Ų2829.6 Ų29.611%0.10614%0.137CC..Hα-helixtrans-68.1-26177.5-67.3176.5-161.8169.711.1113F915 S916 G917 N918 V919 S920 E1116 N1117 L1124F915-R1120 HydrophobicContact CD2-CG 3.88Å; F915-R1120 HydrophobicContact CE2-CG 4.34Å; S916-R1120 PolarHBondContact O-NE 2.89Å; G917-R1120 WeakPolarHBondContact O-CD 3.45Å; G917-R1120 WeakPolarHBondContact O-CG 3.37Å; N918-R1120 VanDerWaalsContact O-CD 3.29Å; N918-R1120 WeakPolarHBondContact O-CD 3.15Å; N918-R1120 PolarHBondContact O-NH1 3.47Å; V919-R1120 HydrophobicContact CG2-CB 4.32Å; S920-R1120 PolarHBondContact OG-NH1 2.84Å; E1116-R1120 VanDerWaalsContact O-CG 3.27Å; E1116-R1120 WeakPolarHBondContact O-CG 3.35Å; E1116-R1120 PolarHBondContact O-N 3.27Å; E1116-R1120 IonicContact OE2-CZ 2.84Å; E1116-R1120 IonicContact OE2-NE 2.83Å; E1116-R1120 IonicContact OE2-NH2 3.7Å; E1116-R1120 PolarHBondContact OE2-NH2 3.22Å; N1117-R1120 PolarHBondContact O-N 3.35Å; R1120-L1124 WeakPolarHBondContact O-CB 3.13Å; R1120-L1124 WeakPolarHBondContact O-CD1 3.24Å
1121E82Confident86.4Confident110 Ų11029.6 Ų29.651%0.51414%0.137SC..Hα-helixtrans-88.4-55.5-179.3-161.8-175.316400112.1V919 K975 N1117 T1118 M1119V919-E1121 HydrophobicContact CG2-CB 4.14Å; K975-E1121 WeakPolarHBondContact CE-OE2 3.13Å; K975-E1121 IonicContact NZ-OE1 2.96Å; K975-E1121 PolarHBondContact NZ-OE1 2.98Å; K975-E1121 IonicContact NZ-OE2 2.9Å; K975-E1121 PolarHBondContact NZ-OE2 2.91Å; N1117-E1121 WeakPolarHBondContact O-CB 3.45Å; N1117-E1121 PolarHBondContact O-N 3.22Å; T1118-E1121 PolarHBondContact O-N 3.08Å; M1119-E1121 VanDerWaalsContact C-N 3.28Å; M1119-E1121 PolarHBondContact O-N 3.45Å
1122D83.4Confident86.5Confident52 Ų5231.2 Ų31.228%0.27815%0.145SC..Hα-helixtrans-95.3-21.5-170.3-61.7-52.7000113.2F965 K975 T1118F965-D1122 HydrophobicContact CD1-CB 4.31Å; F965-D1122 HydrophobicContact CE1-CB 3.92Å; K975-D1122 WeakPolarHBondContact CD-OD2 3.43Å; K975-D1122 VanDerWaalsContact NZ-CG 3.3Å; K975-D1122 IonicContact NZ-OD1 2.92Å; K975-D1122 PolarHBondContact NZ-OD1 3.22Å; K975-D1122 IonicContact NZ-OD2 2.83Å; K975-D1122 PolarHBondContact NZ-OD2 2.98Å; T1118-D1122 PolarHBondContact O-N 2.77Å
1123F86Confident86.5Confident0 Ų031.4 Ų31.40%015%0.146CC..SBendtrans-11411.2-175.6-61.3-94.3000113.7F915 F965 M1057 T1078 I1080 M1119 K1125 V1126 T1129F915-F1123 HydrophobicContact CZ-CB 4.3Å; F965-F1123 HydrophobicContact CD2-CE2 4.07Å; F965-F1123 AromaticContact CD2-CZ 3.85Å; F965-F1123 HydrophobicContact CD2-CZ 3.85Å; F965-F1123 HydrophobicContact CE2-CE2 4.06Å; F965-F1123 AromaticContact CE2-CZ 3.58Å; F965-F1123 HydrophobicContact CE2-CZ 3.58Å; F965-F1123 HydrophobicContact CG-CE2 4.32Å; F965-F1123 HydrophobicContact CZ-CE2 4.3Å; F965-F1123 HydrophobicContact CZ-CZ 4.06Å; M1057-F1123 HydrophobicContact CE-CD1 3.9Å; M1057-F1123 HydrophobicContact CE-CE1 3.36Å; M1057-F1123 HydrophobicContact CE-CZ 3.81Å; M1057-F1123 HydrophobicContact SD-CE1 4.46Å; T1078-F1123 HydrophobicContact CG2-CD1 4.15Å; T1078-F1123 HydrophobicContact CG2-CE1 3.9Å; I1080-F1123 HydrophobicContact CD1-CZ 4.26Å; M1119-F1123 HydrophobicContact CE-CD2 4.29Å; M1119-F1123 HydrophobicContact CE-CE2 4.29Å; M1119-F1123 CarbonylContact O-C 3.51Å; M1119-F1123 VanDerWaalsContact O-C 3.29Å; M1119-F1123 VanDerWaalsContact O-CA 3.29Å; M1119-F1123 WeakPolarHBondContact O-CA 3.3Å; M1119-F1123 WeakPolarHBondContact O-CB 3.48Å; M1119-F1123 PolarHBondContact O-N 2.79Å; M1119-F1123 HydrophobicContact SD-CB 3.95Å; M1119-F1123 HydrophobicContact SD-CD2 3.59Å; M1119-F1123 VanDerWaalsContact SD-CD2 3.59Å; M1119-F1123 HydrophobicContact SD-CE2 4.18Å; M1119-F1123 HydrophobicContact SD-CG 3.77Å; F1123-K1125 PolarHBondContact O-N 3.38Å; F1123-K1125 VanDerWaalsContact O-N 3.08Å; F1123-V1126 HydrophobicContact CB-CB 4.41Å; F1123-V1126 HydrophobicContact CD1-CB 4.46Å; F1123-V1126 HydrophobicContact CD1-CG2 4.24Å; F1123-V1126 PolarHBondContact O-N 3.44Å; F1123-T1129 HydrophobicContact CD1-CG2 4.18Å; F1123-T1129 VanDerWaalsContact CD1-OG1 3.27Å; F1123-T1129 WeakPolarHBondContact CD1-OG1 3.07Å; F1123-T1129 HydrophobicContact CE1-CG2 3.91Å
1124L78.3Confident86.6Confident78 Ų7831.4 Ų31.441%0.40815%0.147SC..THydrogen-bonded Turntrans-56.3-30.2179.8-160.798.6000113.3M1119 R1120 N1163M1119-L1124 PolarHBondContact O-N 3.27Å; R1120-L1124 WeakPolarHBondContact O-CB 3.13Å; R1120-L1124 WeakPolarHBondContact O-CD1 3.24Å; L1124-N1163 PolarHBondContact O-ND2 3.45Å
1125K78.3Confident86.7Confident188 Ų18831.3 Ų31.382%0.81715%0.147SC*.THydrogen-bonded Turntrans-89.5-2179.3-63.8-179.7-177.8174.30113.7F1123F1123-K1125 PolarHBondContact O-N 3.38Å; F1123-K1125 VanDerWaalsContact O-N 3.08Å
1126V84.1Confident86.9Confident4 Ų431.6 Ų31.62%0.02415%0.149CC..  trans-104.8127.8-178.1-172.70000108.4M1057 L1059 K1076 T1078 F1123 L1128 N1163M1057-V1126 HydrophobicContact SD-CG2 4.19Å; L1059-V1126 HydrophobicContact CD2-CG2 3.7Å; K1076-V1126 WeakPolarHBondContact O-CG1 3.1Å; T1078-V1126 HydrophobicContact CG2-CG1 3.91Å; F1123-V1126 HydrophobicContact CB-CB 4.41Å; F1123-V1126 HydrophobicContact CD1-CB 4.46Å; F1123-V1126 HydrophobicContact CD1-CG2 4.24Å; F1123-V1126 PolarHBondContact O-N 3.44Å; V1126-L1128 WeakPolarHBondContact CG1-O 3.29Å; V1126-N1163 VanDerWaalsContact O-CB 3.31Å; V1126-N1163 WeakPolarHBondContact O-CB 3.18Å
1127F83.1Confident87.3Confident38 Ų3831.2 Ų31.217%0.16715%0.148CC..SBendtrans-77.2-40.9177.8174.6-104.3000111.9V1062 R1075 K1076 F1162 N1163V1062-F1127 HydrophobicContact CG1-CD1 4.4Å; V1062-F1127 HydrophobicContact CG1-CE1 4.49Å; V1062-F1127 HydrophobicContact CG2-CB 4.44Å; V1062-F1127 HydrophobicContact CG2-CD1 3.77Å; R1075-F1127 HydrophobicContact CB-CB 3.7Å; R1075-F1127 HydrophobicContact CB-CD1 4.11Å; R1075-F1127 HydrophobicContact CB-CD2 4.48Å; R1075-F1127 HydrophobicContact CB-CG 3.84Å; R1075-F1127 HydrophobicContact CG-CB 3.86Å; R1075-F1127 HydrophobicContact CG-CD1 4.25Å; R1075-F1127 HydrophobicContact CG-CD2 3.84Å; R1075-F1127 HydrophobicContact CG-CE2 4.48Å; R1075-F1127 HydrophobicContact CG-CG 3.7Å; R1075-F1127 VanDerWaalsContact NH1-CZ 3.29Å; K1076-F1127 WeakPolarHBondContact O-CB 3.05Å; K1076-F1127 PolarHBondContact O-N 3.48Å; F1127-F1162 HydrophobicContact CD1-CD1 4.32Å; F1127-F1162 HydrophobicContact CD1-CE1 4.49Å; F1127-F1162 AromaticContact CE1-CD1 3.76Å; F1127-F1162 HydrophobicContact CE1-CD1 3.76Å; F1127-F1162 AromaticContact CE1-CE1 3.76Å; F1127-F1162 HydrophobicContact CE1-CE1 3.76Å; F1127-F1162 HydrophobicContact CE2-CD1 4.49Å; F1127-F1162 AromaticContact CZ-CD1 3.85Å; F1127-F1162 HydrophobicContact CZ-CD1 3.85Å; F1127-F1162 HydrophobicContact CZ-CE1 4.15Å; F1127-F1162 WeakPolarHBondContact O-CA 3.35Å; F1127-N1163 PolarHBondContact O-N 3.39Å
1128L86.8Confident87.5Confident15 Ų1533.2 Ų33.28%0.07916%0.156CC..EExtended strand (participates in β ladder)trans-136.2122.2-177.4171.760.4000111.3K1076 M1077 T1078 V1126 H1160 I1161 F1162K1076-L1128 PolarHBondContact O-N 3.19Å; M1077-L1128 CarbonylContact C-O 3.55Å; M1077-L1128 WeakPolarHBondContact CA-O 3.42Å; M1077-L1128 HydrophobicContact CB-CB 3.98Å; M1077-L1128 HydrophobicContact CB-CD2 4.5Å; M1077-L1128 HydrophobicContact CB-CG 4.34Å; M1077-L1128 VanDerWaalsContact CB-O 3.28Å; M1077-L1128 WeakPolarHBondContact CB-O 3.37Å; T1078-L1128 PolarHBondContact N-O 2.73Å; V1126-L1128 WeakPolarHBondContact CG1-O 3.29Å; L1128-H1160 HydrophobicContact CD1-CB 3.89Å; L1128-I1161 CarbonylContact C-O 3.51Å; L1128-I1161 WeakPolarHBondContact CA-O 3.03Å; L1128-F1162 HydrophobicContact CB-CD1 4.32Å; L1128-F1162 HydrophobicContact CB-CE1 4.22Å; L1128-F1162 HydrophobicContact CD1-CD1 4.09Å; L1128-F1162 HydrophobicContact CD1-CD2 4.19Å; L1128-F1162 HydrophobicContact CD1-CE1 3.79Å; L1128-F1162 HydrophobicContact CD1-CE2 3.89Å; L1128-F1162 HydrophobicContact CD1-CG 4.29Å; L1128-F1162 HydrophobicContact CD1-CZ 3.69Å; L1128-F1162 HydrophobicContact CD2-CE1 4.23Å; L1128-F1162 HydrophobicContact CD2-CZ 4.31Å; L1128-F1162 HydrophobicContact CG-CE1 4.3Å
1129T90.1Very high87.5Confident1 Ų134.3 Ų34.31%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-108.4121170.3-59.90000109.3T1078 I1080 F1123 I1161T1078-T1129 HydrophobicContact CG2-CG2 3.98Å; T1078-T1129 CarbonylContact O-C 3.51Å; T1078-T1129 WeakPolarHBondContact O-CA 3.22Å; I1080-T1129 HydrophobicContact CD1-CG2 3.65Å; I1080-T1129 HydrophobicContact CG1-CG2 3.87Å; F1123-T1129 HydrophobicContact CD1-CG2 4.18Å; F1123-T1129 VanDerWaalsContact CD1-OG1 3.27Å; F1123-T1129 WeakPolarHBondContact CD1-OG1 3.07Å; F1123-T1129 HydrophobicContact CE1-CG2 3.91Å; T1129-I1161 PolarHBondContact N-O 3.02Å; T1129-I1161 PolarHBondContact O-N 3.05Å
1130K90.8Very high87.4Confident52 Ų5237.3 Ų37.323%0.22618%0.181CC..EExtended strand (participates in β ladder)trans-91.9115171.1-65.8-174.2164.5-145.50109.6T1078 T1079 I1080 E1158 V1159T1078-K1130 PolarHBondContact O-N 3.16Å; T1079-K1130 CarbonylContact C-O 3.53Å; T1079-K1130 WeakPolarHBondContact CA-O 3.12Å; T1079-K1130 HydrophobicContact CG2-CB 4.22Å; I1080-K1130 PolarHBondContact N-O 3.42Å; K1130-E1158 IonicContact NZ-OE1 3.95Å; K1130-E1158 IonicContact NZ-OE2 2.86Å; K1130-E1158 PolarHBondContact NZ-OE2 2.87Å; K1130-V1159 WeakPolarHBondContact CA-O 3.42Å
1131L92Very high87.3Confident0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-100.7121.7176.417465.6000110.1P962 L977 I1080 E1158 V1159 I1161P962-L1131 HydrophobicContact CB-CD1 3.96Å; P962-L1131 HydrophobicContact CG-CD1 3.88Å; P962-L1131 HydrophobicContact CG-CD2 4.23Å; P962-L1131 HydrophobicContact CG-CG 4.36Å; L977-L1131 HydrophobicContact CD2-CD1 4.06Å; I1080-L1131 HydrophobicContact CD1-CB 4.49Å; I1080-L1131 HydrophobicContact CD1-CD1 3.85Å; I1080-L1131 HydrophobicContact CG1-CB 4.25Å; I1080-L1131 HydrophobicContact CG1-CD1 3.79Å; L1131-E1158 WeakPolarHBondContact O-CA 2.95Å; L1131-V1159 HydrophobicContact CB-CB 4.26Å; L1131-V1159 PolarHBondContact N-O 2.87Å; L1131-V1159 PolarHBondContact O-N 2.88Å; L1131-I1161 HydrophobicContact CB-CD1 4.35Å
1132H92.6Very high87.2Confident41 Ų4139 Ų3919%0.1919%0.19CC..EExtended strand (participates in β ladder)trans-94.9130.3177.9-72.5-152000110.7T1079 I1080 T1156 I1157 E1158T1079-H1132 VanDerWaalsContact CG2-NE2 3.26Å; T1079-H1132 WeakPolarHBondContact CG2-NE2 3.08Å; I1080-H1132 PolarHBondContact O-N 2.86Å; H1132-T1156 HydrophobicContact CB-CG2 3.9Å; H1132-I1157 WeakPolarHBondContact CA-O 3.49Å; H1132-E1158 IonicContact CE1-OE1 2.72Å; H1132-E1158 IonicContact NE2-OE1 2.8Å
1133L92.1Very high87.1Confident4 Ų437.1 Ų37.12%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-114.3127.6164.8-61.5122.9000109.2T908 F941 W961 P962 L978 T1156 I1157 V1159T908-L1133 HydrophobicContact CG2-CD1 4.34Å; F941-L1133 HydrophobicContact CZ-CB 4.06Å; W961-L1133 HydrophobicContact CE3-CD2 3.87Å; W961-L1133 HydrophobicContact CZ3-CD2 3.93Å; P962-L1133 HydrophobicContact CG-CD2 3.87Å; P962-L1133 HydrophobicContact CG-CG 4.27Å; L978-L1133 HydrophobicContact CD2-CD2 3.86Å; L1133-T1156 CarbonylContact O-C 3.54Å; L1133-T1156 WeakPolarHBondContact O-CA 3.4Å; L1133-I1157 HydrophobicContact CB-CD1 3.98Å; L1133-I1157 HydrophobicContact CB-CG1 3.62Å; L1133-I1157 HydrophobicContact CD1-CD1 3.94Å; L1133-I1157 HydrophobicContact CD1-CG1 3.92Å; L1133-I1157 HydrophobicContact CG-CG1 4.4Å; L1133-I1157 PolarHBondContact N-O 2.78Å; L1133-I1157 PolarHBondContact O-N 2.85Å; L1133-V1159 HydrophobicContact CD1-CG2 4.01Å
1134T92.4Very high86.7Confident12 Ų1238.6 Ų38.67%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-109.8136.9-177.8-59.60000110.3D960 Y1083 T1156D960-T1134 PolarHBondContact N-O 2.94Å; Y1083-T1134 HydrophobicContact CE2-CG2 4.45Å; T1134-T1156 PolarHBondContact OG1-OG1 2.89Å; T1134-T1156 VanDerWaalsContact OG1-OG1 3.05Å
1135A93.7Very high86.9Confident0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-124126.6174.300000110.6V904 F941 L957 I958 I959 Q1154 D1155V904-A1135 HydrophobicContact CG1-CB 4.22Å; F941-A1135 HydrophobicContact CD1-CB 3.35Å; F941-A1135 HydrophobicContact CE1-CB 3.63Å; F941-A1135 HydrophobicContact CG-CB 4.05Å; L957-A1135 HydrophobicContact CD1-CB 4.19Å; I958-A1135 CarbonylContact O-C 3.44Å; I958-A1135 WeakPolarHBondContact O-CA 3.39Å; I959-A1135 HydrophobicContact CG1-CB 4.23Å; A1135-Q1154 CarbonylContact O-C 3.53Å; A1135-Q1154 VanDerWaalsContact O-CA 3.28Å; A1135-Q1154 WeakPolarHBondContact O-CA 3.08Å; A1135-D1155 PolarHBondContact N-O 3.27Å; A1135-D1155 PolarHBondContact O-N 3.37Å
1136T92.4Very high87Confident16 Ų1629.3 Ų29.310%0.09815%0.153CC..EExtended strand (participates in β ladder)trans-121.6125.2-176.7-55.30000110.6I958 K1138 Y1152 A1153 Q1154I958-T1136 PolarHBondContact N-O 2.94Å; I958-T1136 PolarHBondContact O-N 2.94Å; T1136-K1138 HydrophobicContact CG2-CG 4.49Å; T1136-Y1152 HydrophobicContact CG2-CD2 4.08Å; T1136-Y1152 HydrophobicContact CG2-CG 4.48Å; T1136-A1153 CarbonylContact C-O 3.52Å; T1136-Q1154 HydrophobicContact CG2-CB 4.45Å
1137W93.4Very high86.9Confident0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-97.4136174.2175.887000111.3V900 V902 V904 V943 I952 S955 R956 L957 L1099 A1139 L1147 Y1152 A1153V900-W1137 HydrophobicContact CG2-CH2 4.41Å; V902-W1137 HydrophobicContact CB-CD2 4.23Å; V902-W1137 HydrophobicContact CB-CE3 4.05Å; V902-W1137 HydrophobicContact CB-CH2 4.22Å; V902-W1137 HydrophobicContact CB-CZ2 4.37Å; V902-W1137 HydrophobicContact CB-CZ3 4.07Å; V902-W1137 HydrophobicContact CG1-CD2 3.62Å; V902-W1137 HydrophobicContact CG1-CE3 3.93Å; V902-W1137 HydrophobicContact CG1-CG 4.03Å; V902-W1137 HydrophobicContact CG1-CH2 4.5Å; V902-W1137 HydrophobicContact CG1-CZ2 4.22Å; V902-W1137 HydrophobicContact CG1-CZ3 4.37Å; V902-W1137 HydrophobicContact CG2-CE3 4.42Å; V902-W1137 HydrophobicContact CG2-CH2 3.69Å; V902-W1137 HydrophobicContact CG2-CZ2 3.8Å; V902-W1137 HydrophobicContact CG2-CZ3 4.04Å; V904-W1137 HydrophobicContact CG2-CB 3.35Å; V904-W1137 HydrophobicContact CG2-CG 4.31Å; V943-W1137 HydrophobicContact CG1-CG 4.15Å; I952-W1137 HydrophobicContact CD1-CH2 3.65Å; I952-W1137 HydrophobicContact CD1-CZ2 3.44Å; I952-W1137 VanDerWaalsContact CD1-CZ2 3.44Å; I952-W1137 HydrophobicContact CG2-CZ2 4.46Å; S955-W1137 PolarHBondContact OG-NE1 3.41Å; R956-W1137 WeakPolarHBondContact O-CA 3.36Å; L957-W1137 HydrophobicContact CD1-CB 4.39Å; L1099-W1137 HydrophobicContact CD2-CZ2 4.42Å; W1137-A1139 HydrophobicContact CH2-CB 3.91Å; W1137-A1139 HydrophobicContact CZ2-CB 4.21Å; W1137-L1147 HydrophobicContact CE3-CD1 4.43Å; W1137-L1147 HydrophobicContact CH2-CD1 4.29Å; W1137-L1147 HydrophobicContact CZ3-CD1 3.54Å; W1137-Y1152 WeakPolarHBondContact O-CA 3.41Å; W1137-Y1152 WeakPolarHBondContact O-CB 3.33Å; W1137-A1153 HydrophobicContact CE3-CB 4.19Å; W1137-A1153 PolarHBondContact N-O 3.31Å; W1137-A1153 PolarHBondContact O-N 3.05Å; W1137-A1153 VanDerWaalsContact O-N 3.14Å
1138K89.9Confident86.3Confident56 Ų5632.7 Ų32.724%0.24319%0.192CC..EExtended strand (participates in β ladder)trans-137.7146.9173.3-69.3-171173.2-172.30110.7S955 R956 T1136S955-K1138 WeakPolarHBondContact CA-O 3.36Å; R956-K1138 PolarHBondContact N-O 2.66Å; R956-K1138 PolarHBondContact O-N 3.08Å; T1136-K1138 HydrophobicContact CG2-CG 4.49Å
1139A87.2Confident85.5Confident25 Ų2535.6 Ų35.621%0.20723%0.225CC..EExtended strand (participates in β ladder)trans-79.1142170.600000110.8I952 W1137 V1141 I1145I952-A1139 HydrophobicContact CG2-CB 4.2Å; W1137-A1139 HydrophobicContact CH2-CB 3.91Å; W1137-A1139 HydrophobicContact CZ2-CB 4.21Å; A1139-V1141 HydrophobicContact CB-CG2 3.81Å; A1139-I1145 HydrophobicContact CB-CD1 4.1Å; A1139-I1145 HydrophobicContact CB-CG1 3.66Å
1140D84.1Confident85Confident63 Ų6337.4 Ų37.434%0.33724%0.238SC..  trans-104.572.3174.7-170.321000109.4A954 R956A954-D1140 HydrophobicContact CB-CB 4.07Å; A954-D1140 PolarHBondContact O-N 3.43Å; R956-D1140 HydrophobicContact CG-CB 4.36Å; R956-D1140 IonicContact CZ-OD2 3Å; R956-D1140 IonicContact NE-OD2 3.6Å; R956-D1140 IonicContact NH1-OD2 3.35Å; R956-D1140 IonicContact NH2-OD1 3.66Å; R956-D1140 IonicContact NH2-OD2 3.52Å; R956-D1140 PolarHBondContact NH2-OD2 3.23Å
1141V80.2Confident84.6Confident28 Ų2839.6 Ų39.617%0.1725%0.253CS..  trans-138.1152.3-173.3-64.50000111P953 A1139 Y1143 I1145P953-V1141 HydrophobicContact CG-CG1 3.77Å; A1139-V1141 HydrophobicContact CB-CG2 3.81Å; V1141-Y1143 HydrophobicContact CB-CD1 4.3Å; V1141-Y1143 HydrophobicContact CB-CD2 4.14Å; V1141-Y1143 HydrophobicContact CB-CE1 3.98Å; V1141-Y1143 HydrophobicContact CB-CE2 3.81Å; V1141-Y1143 HydrophobicContact CB-CG 4.38Å; V1141-Y1143 HydrophobicContact CG1-CE1 4.17Å; V1141-Y1143 HydrophobicContact CG1-CE2 4.01Å; V1141-Y1143 HydrophobicContact CG2-CD2 3.82Å; V1141-Y1143 HydrophobicContact CG2-CE2 3.65Å; V1141-Y1143 HydrophobicContact CG2-CG 4.41Å; V1141-Y1143 WeakPolarHBondContact CG2-O 3.32Å; V1141-I1145 HydrophobicContact CG2-CD1 3.86Å; V1141-I1145 HydrophobicContact CG2-CG1 3.88Å
1142K79.8Confident84.4Confident146 Ų14644 Ų4464%0.63527%0.27SS*.SBendtrans-80.9-22.2178.9-64.2-175-179.7179.80114.1Q864 A866Q864-K1142 HydrophobicContact CB-CB 4.38Å; Q864-K1142 HydrophobicContact CB-CD 4.27Å; Q864-K1142 HydrophobicContact CB-CG 4.32Å; A866-K1142 VanDerWaalsContact CB-O 3.25Å; A866-K1142 WeakPolarHBondContact CB-O 3.37Å
1143Y81.1Confident84.3Confident12 Ų1242.9 Ų42.95%0.04727%0.267CS..SBendtrans-87.7157.6177.747-100.5000111.1L861 M898 P953 V1141 I1145L861-Y1143 HydrophobicContact CD1-CD1 4.43Å; M898-Y1143 HydrophobicContact CB-CD2 3.84Å; M898-Y1143 HydrophobicContact CB-CE2 3.66Å; M898-Y1143 HydrophobicContact CG-CE2 4.39Å; M898-Y1143 HydrophobicContact SD-CE2 3.86Å; P953-Y1143 WeakPolarHBondContact CD-OH 3.46Å; P953-Y1143 WeakPolarHBondContact CG-OH 3.37Å; V1141-Y1143 HydrophobicContact CB-CD1 4.3Å; V1141-Y1143 HydrophobicContact CB-CD2 4.14Å; V1141-Y1143 HydrophobicContact CB-CE1 3.98Å; V1141-Y1143 HydrophobicContact CB-CE2 3.81Å; V1141-Y1143 HydrophobicContact CB-CG 4.38Å; V1141-Y1143 HydrophobicContact CG1-CE1 4.17Å; V1141-Y1143 HydrophobicContact CG1-CE2 4.01Å; V1141-Y1143 HydrophobicContact CG2-CD2 3.82Å; V1141-Y1143 HydrophobicContact CG2-CE2 3.65Å; V1141-Y1143 HydrophobicContact CG2-CG 4.41Å; V1141-Y1143 WeakPolarHBondContact CG2-O 3.32Å; Y1143-I1145 HydrophobicContact CD2-CD1 4.12Å; Y1143-I1145 HydrophobicContact CE2-CD1 3.8Å
1144G78.9Confident84.3Confident31 Ų3148 Ų4832%0.3229%0.291SS..EExtended strand (participates in β ladder)trans-68.1143.3177.300000111.6I896 K897 M898I896-G1144 PolarHBondContact O-N 2.98Å; I896-G1144 VanDerWaalsContact O-N 3.15Å; K897-G1144 CarbonylContact C-O 3.58Å; K897-G1144 VanDerWaalsContact CA-O 3.26Å; K897-G1144 WeakPolarHBondContact CA-O 3.41Å; M898-G1144 PolarHBondContact N-O 3.18Å
1145I82Confident84.3Confident25 Ų2549.7 Ų49.713%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-102.4140169.9-63.8-62.3000108.9M898 V900 A1139 V1141 Y1143 L1147M898-I1145 HydrophobicContact CB-CD1 4.21Å; M898-I1145 WeakPolarHBondContact O-CA 3.28Å; V900-I1145 HydrophobicContact CB-CG2 4.49Å; V900-I1145 HydrophobicContact CG1-CD1 4.19Å; V900-I1145 HydrophobicContact CG1-CG2 4.39Å; V900-I1145 HydrophobicContact CG2-CG2 3.36Å; A1139-I1145 HydrophobicContact CB-CD1 4.1Å; A1139-I1145 HydrophobicContact CB-CG1 3.66Å; V1141-I1145 HydrophobicContact CG2-CD1 3.86Å; V1141-I1145 HydrophobicContact CG2-CG1 3.88Å; Y1143-I1145 HydrophobicContact CD2-CD1 4.12Å; Y1143-I1145 HydrophobicContact CE2-CD1 3.8Å; I1145-L1147 HydrophobicContact CG2-CD1 3.58Å; I1145-L1147 HydrophobicContact CG2-CG 4.3Å
1146D80.3Confident84.2Confident47 Ų4752.4 Ų52.425%0.25132%0.316SS..EExtended strand (participates in β ladder)trans-114109167.4-176.121.3000110.7M898 I899 V900 G1148 G1149M898-D1146 PolarHBondContact O-N 3.03Å; I899-D1146 HydrophobicContact CG2-CB 4.31Å; V900-D1146 PolarHBondContact N-O 3.25Å; D1146-G1148 PolarHBondContact OD1-N 3.17Å; D1146-G1148 VanDerWaalsContact OD1-N 3.16Å; D1146-G1149 PolarHBondContact OD1-N 3.14Å; D1146-G1149 VanDerWaalsContact OD1-N 3.08Å
1147L81.9Confident84.2Confident31 Ų3152.1 Ų52.116%0.16231%0.314CS..BIsolated β-bridgetrans-106.558.7167-83.1124.8000110.6V900 V902 W1137 I1145 G1149 S1150V900-L1147 HydrophobicContact CG2-CD1 3.59Å; V900-L1147 HydrophobicContact CG2-CD2 4.08Å; V900-L1147 HydrophobicContact CG2-CG 3.54Å; V902-L1147 HydrophobicContact CB-CD2 4.08Å; V902-L1147 VanDerWaalsContact N-CD2 3.33Å; W1137-L1147 HydrophobicContact CE3-CD1 4.43Å; W1137-L1147 HydrophobicContact CH2-CD1 4.29Å; W1137-L1147 HydrophobicContact CZ3-CD1 3.54Å; I1145-L1147 HydrophobicContact CG2-CD1 3.58Å; I1145-L1147 HydrophobicContact CG2-CG 4.3Å; L1147-G1149 VanDerWaalsContact C-N 3.26Å; L1147-G1149 PolarHBondContact O-N 2.92Å; L1147-S1150 WeakPolarHBondContact CB-O 3.36Å; L1147-S1150 PolarHBondContact N-O 3.05Å; L1147-S1150 PolarHBondContact O-N 2.81Å
1148G70.7Confident83.9Confident82 Ų8255.7 Ų55.785%0.84533%0.331SS*.THydrogen-bonded Turntrans60.837.4179.800000112.5D1146D1146-G1148 PolarHBondContact OD1-N 3.17Å; D1146-G1148 VanDerWaalsContact OD1-N 3.16Å
1149G71.1Confident84Confident75 Ų7553.1 Ų53.177%0.77332%0.32SS*.THydrogen-bonded Turntrans101.9-7.6178.900000116.7D1146 L1147D1146-G1149 PolarHBondContact OD1-N 3.14Å; D1146-G1149 VanDerWaalsContact OD1-N 3.08Å; L1147-G1149 VanDerWaalsContact C-N 3.26Å; L1147-G1149 PolarHBondContact O-N 2.92Å
1150S78.5Confident84.1Confident39 Ų3954 Ų5427%0.27332%0.319SS..BIsolated β-bridgetrans-108159.7171.2-175.50000111.4L1147 Y1152L1147-S1150 WeakPolarHBondContact CB-O 3.36Å; L1147-S1150 PolarHBondContact N-O 3.05Å; L1147-S1150 PolarHBondContact O-N 2.81Å; S1150-Y1152 PolarHBondContact OG-N 3.04Å; S1150-Y1152 PolarHBondContact OG-O 2.89Å
1151D82.4Confident84.4Confident99 Ų9951 Ų5153%0.52930%0.303SS..SBendtrans-106.4-3.2171.864.1-29.6000113.4
1152Y88.3Confident84.6Confident93 Ų9351.7 Ų51.737%0.36530%0.304SS..EExtended strand (participates in β ladder)trans-136.3161.4176.968.8-87.7000112.8T1136 W1137 S1150 Q1154T1136-Y1152 HydrophobicContact CG2-CD2 4.08Å; T1136-Y1152 HydrophobicContact CG2-CG 4.48Å; W1137-Y1152 WeakPolarHBondContact O-CA 3.41Å; W1137-Y1152 WeakPolarHBondContact O-CB 3.33Å; S1150-Y1152 PolarHBondContact OG-N 3.04Å; S1150-Y1152 PolarHBondContact OG-O 2.89Å; Y1152-Q1154 HydrophobicContact CD2-CB 4.42Å; Y1152-Q1154 HydrophobicContact CE2-CG 4.18Å
1153A89.7Confident84.7Confident16 Ų1645.3 Ų45.313%0.13228%0.277CS..EExtended strand (participates in β ladder)trans-125.3142.1170.600000109.5V904 T1136 W1137V904-A1153 HydrophobicContact CG2-CB 3.95Å; T1136-A1153 CarbonylContact C-O 3.52Å; W1137-A1153 HydrophobicContact CE3-CB 4.19Å; W1137-A1153 PolarHBondContact N-O 3.31Å; W1137-A1153 PolarHBondContact O-N 3.05Å; W1137-A1153 VanDerWaalsContact O-N 3.14Å
1154Q91.7Very high84.1Confident113 Ų11348.2 Ų48.253%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-143.4155-176.267.9177.2-0.200112.8A1135 T1136 Y1152A1135-Q1154 CarbonylContact O-C 3.53Å; A1135-Q1154 VanDerWaalsContact O-CA 3.28Å; A1135-Q1154 WeakPolarHBondContact O-CA 3.08Å; T1136-Q1154 HydrophobicContact CG2-CB 4.45Å; Y1152-Q1154 HydrophobicContact CD2-CB 4.42Å; Y1152-Q1154 HydrophobicContact CE2-CG 4.18Å
1155D93.7Very high83.2Confident47 Ų4752.6 Ų52.625%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-142.9155.1170.9-167.823.5000111.4V904 F905 G906 A1135V904-D1155 HydrophobicContact CB-CB 4.36Å; V904-D1155 HydrophobicContact CG1-CB 4.1Å; F905-D1155 VanDerWaalsContact CA-OD2 3.27Å; F905-D1155 WeakPolarHBondContact CA-OD2 3.45Å; G906-D1155 PolarHBondContact N-OD2 2.7Å; A1135-D1155 PolarHBondContact N-O 3.27Å; A1135-D1155 PolarHBondContact O-N 3.37Å
1156T90.9Very high81.9Confident57 Ų5758.2 Ų58.235%0.3533%0.334SS..EExtended strand (participates in β ladder)trans-134.8127-179.6-61.60000111.5H1132 L1133 T1134H1132-T1156 HydrophobicContact CB-CG2 3.9Å; L1133-T1156 CarbonylContact O-C 3.54Å; L1133-T1156 WeakPolarHBondContact O-CA 3.4Å; T1134-T1156 PolarHBondContact OG1-OG1 2.89Å; T1134-T1156 VanDerWaalsContact OG1-OG1 3.05Å
1157I92Very high80.2Confident10 Ų1064 Ų645%0.05136%0.36CS..EExtended strand (participates in β ladder)trans-105.3143.7-179.364.7-173.3000111.8G906 T908 F941 H1132 L1133G906-I1157 WeakPolarHBondContact O-CG2 3.45Å; T908-I1157 HydrophobicContact CG2-CD1 3.36Å; T908-I1157 HydrophobicContact CG2-CG1 4.01Å; F941-I1157 HydrophobicContact CE1-CD1 3.6Å; F941-I1157 HydrophobicContact CE1-CG1 4.22Å; F941-I1157 HydrophobicContact CE2-CD1 4.39Å; F941-I1157 HydrophobicContact CZ-CD1 3.5Å; F941-I1157 HydrophobicContact CZ-CG1 4.33Å; H1132-I1157 WeakPolarHBondContact CA-O 3.49Å; L1133-I1157 HydrophobicContact CB-CD1 3.98Å; L1133-I1157 HydrophobicContact CB-CG1 3.62Å; L1133-I1157 HydrophobicContact CD1-CD1 3.94Å; L1133-I1157 HydrophobicContact CD1-CG1 3.92Å; L1133-I1157 HydrophobicContact CG-CG1 4.4Å; L1133-I1157 PolarHBondContact N-O 2.78Å; L1133-I1157 PolarHBondContact O-N 2.85Å
1158E88.3Confident78.6Confident75 Ų7568.1 Ų68.135%0.3538%0.377SS..EExtended strand (participates in β ladder)trans-107.5126.5178.8-65.3-170-167.500111.7K1130 L1131 H1132 H1160K1130-E1158 IonicContact NZ-OE1 3.95Å; K1130-E1158 IonicContact NZ-OE2 2.86Å; K1130-E1158 PolarHBondContact NZ-OE2 2.87Å; L1131-E1158 WeakPolarHBondContact O-CA 2.95Å; H1132-E1158 IonicContact CE1-OE1 2.72Å; H1132-E1158 IonicContact NE2-OE1 2.8Å; E1158-H1160 IonicContact OE2-CE1 3.55Å; E1158-H1160 PolarHBondContact OE2-CE1 2.85Å
1159V91.2Very high77.5Confident1 Ų170.1 Ų70.11%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-105.1124.1167.9-1770000109.4T908 I913 K1130 L1131 L1133 I1161T908-V1159 HydrophobicContact CG2-CG2 3.57Å; I913-V1159 HydrophobicContact CD1-CG1 3.73Å; I913-V1159 HydrophobicContact CG1-CG1 4.28Å; K1130-V1159 WeakPolarHBondContact CA-O 3.42Å; L1131-V1159 HydrophobicContact CB-CB 4.26Å; L1131-V1159 PolarHBondContact N-O 2.87Å; L1131-V1159 PolarHBondContact O-N 2.88Å; L1133-V1159 HydrophobicContact CD1-CG2 4.01Å; V1159-I1161 HydrophobicContact CG1-CG1 4.14Å
1160H89.4Confident76.6Confident44 Ų4473.2 Ų73.220%0.20437%0.372CS..EExtended strand (participates in β ladder)trans-95.5113.9-179.8-61-60.1000111.2N911 T912 I913 L1128 E1158 F1162N911-H1160 PolarHBondContact O-N 2.78Å; T912-H1160 CarbonylContact C-O 3.29Å; T912-H1160 VanDerWaalsContact CA-O 3.26Å; T912-H1160 WeakPolarHBondContact CA-O 3.24Å; I913-H1160 PolarHBondContact N-O 3.33Å; L1128-H1160 HydrophobicContact CD1-CB 3.89Å; E1158-H1160 IonicContact OE2-CE1 3.55Å; E1158-H1160 PolarHBondContact OE2-CE1 2.85Å; H1160-F1162 HydrophobicContact CB-CD2 4.45Å; H1160-F1162 HydrophobicContact CB-CE2 3.8Å
1161I89.4Confident75.4Confident0 Ų076.1 Ų76.10%039%0.39CS..EExtended strand (participates in β ladder)trans-111.2113.7-176.7-55.8171.2000108.5I913 F915 L1114 M1119 L1128 T1129 L1131 V1159I913-I1161 CarbonylContact O-C 3.56Å; I913-I1161 WeakPolarHBondContact O-CA 3.28Å; F915-I1161 HydrophobicContact CD1-CG2 3.77Å; F915-I1161 HydrophobicContact CE1-CG2 4.01Å; L1114-I1161 HydrophobicContact CD1-CD1 3.68Å; L1114-I1161 HydrophobicContact CD2-CB 4.48Å; L1114-I1161 HydrophobicContact CD2-CD1 3.84Å; L1114-I1161 HydrophobicContact CD2-CG1 4.12Å; L1114-I1161 HydrophobicContact CD2-CG2 3.57Å; L1114-I1161 HydrophobicContact CG-CD1 4.43Å; M1119-I1161 HydrophobicContact CE-CD1 3.75Å; M1119-I1161 HydrophobicContact CE-CG2 4.48Å; M1119-I1161 HydrophobicContact CG-CG2 4.44Å; M1119-I1161 HydrophobicContact SD-CG2 4.11Å; L1128-I1161 CarbonylContact C-O 3.51Å; L1128-I1161 WeakPolarHBondContact CA-O 3.03Å; T1129-I1161 PolarHBondContact N-O 3.02Å; T1129-I1161 PolarHBondContact O-N 3.05Å; L1131-I1161 HydrophobicContact CB-CD1 4.35Å; V1159-I1161 HydrophobicContact CG1-CG1 4.14Å
1162F84.8Confident74.1Confident42 Ų4275.2 Ų75.218%0.18439%0.389CS..EExtended strand (participates in β ladder)trans-101.9137.4-177.6-70-88.6000111.7T912 I913 Y914 F915 F1127 L1128 H1160T912-F1162 HydrophobicContact CG2-CD2 3.56Å; T912-F1162 HydrophobicContact CG2-CE2 3.49Å; T912-F1162 VanDerWaalsContact CG2-CE2 3.49Å; I913-F1162 PolarHBondContact O-N 2.77Å; Y914-F1162 CarbonylContact C-O 3.59Å; Y914-F1162 VanDerWaalsContact CA-O 3.29Å; Y914-F1162 WeakPolarHBondContact CA-O 3.22Å; Y914-F1162 HydrophobicContact CD1-CB 3.53Å; Y914-F1162 HydrophobicContact CD1-CG 4.3Å; Y914-F1162 HydrophobicContact CE1-CB 3.71Å; Y914-F1162 HydrophobicContact CE1-CD2 4.08Å; Y914-F1162 AromaticContact CE1-CG 3.98Å; Y914-F1162 HydrophobicContact CE1-CG 3.98Å; Y914-F1162 HydrophobicContact CG-CB 4.4Å; F915-F1162 VanDerWaalsContact CD1-O 3.29Å; F915-F1162 WeakPolarHBondContact CD1-O 3.43Å; F915-F1162 PolarHBondContact N-O 2.62Å; F1127-F1162 HydrophobicContact CD1-CD1 4.32Å; F1127-F1162 HydrophobicContact CD1-CE1 4.49Å; F1127-F1162 AromaticContact CE1-CD1 3.76Å; F1127-F1162 HydrophobicContact CE1-CD1 3.76Å; F1127-F1162 AromaticContact CE1-CE1 3.76Å; F1127-F1162 HydrophobicContact CE1-CE1 3.76Å; F1127-F1162 HydrophobicContact CE2-CD1 4.49Å; F1127-F1162 AromaticContact CZ-CD1 3.85Å; F1127-F1162 HydrophobicContact CZ-CD1 3.85Å; F1127-F1162 HydrophobicContact CZ-CE1 4.15Å; F1127-F1162 WeakPolarHBondContact O-CA 3.35Å; L1128-F1162 HydrophobicContact CB-CD1 4.32Å; L1128-F1162 HydrophobicContact CB-CE1 4.22Å; L1128-F1162 HydrophobicContact CD1-CD1 4.09Å; L1128-F1162 HydrophobicContact CD1-CD2 4.19Å; L1128-F1162 HydrophobicContact CD1-CE1 3.79Å; L1128-F1162 HydrophobicContact CD1-CE2 3.89Å; L1128-F1162 HydrophobicContact CD1-CG 4.29Å; L1128-F1162 HydrophobicContact CD1-CZ 3.69Å; L1128-F1162 HydrophobicContact CD2-CE1 4.23Å; L1128-F1162 HydrophobicContact CD2-CZ 4.31Å; L1128-F1162 HydrophobicContact CG-CE1 4.3Å; H1160-F1162 HydrophobicContact CB-CD2 4.45Å; H1160-F1162 HydrophobicContact CB-CE2 3.8Å
1163N82.4Confident72.7Confident12 Ų1279.4 Ų79.46%0.06441%0.41CS..EExtended strand (participates in β ladder)trans-86.6110.7168.4-175.3-1.7000109.9F915 L1124 V1126 F1127F915-N1163 HydrophobicContact CD1-CB 4.47Å; F915-N1163 HydrophobicContact CE1-CB 3.72Å; F915-N1163 HydrophobicContact CE2-CB 4.08Å; F915-N1163 HydrophobicContact CZ-CB 3.5Å; F915-N1163 PolarHBondContact O-OD1 3.45Å; L1124-N1163 PolarHBondContact O-ND2 3.45Å; V1126-N1163 VanDerWaalsContact O-CB 3.31Å; V1126-N1163 WeakPolarHBondContact O-CB 3.18Å; F1127-N1163 PolarHBondContact O-N 3.39Å
1164N68.7Low71.6Confident73 Ų7385.3 Ų85.339%0.3943%0.429SS..  trans-88.8104.4175.5-16018000108.5F915 S916 E1166F915-N1164 PolarHBondContact O-N 2.69Å; S916-N1164 WeakPolarHBondContact CB-O 3.4Å; N1164-E1166 PolarHBondContact O-N 2.84Å
1165L59Low70.7Confident124 Ų12484.8 Ų84.865%0.64943%0.428SS*.  trans-65.111.1-170-73.8154.2000116
1166E55Low69.8Low142 Ų14286.5 Ų86.566%0.66445%0.449SS*.PPolyproline II helixtrans-88.4122.3-179.6-67.9-177.2168.800112.3S916 N1164 K1168S916-E1166 VanDerWaalsContact CB-O 3.31Å; S916-E1166 WeakPolarHBondContact CB-O 3.21Å; S916-E1166 PolarHBondContact OG-O 2.88Å; N1164-E1166 PolarHBondContact O-N 2.84Å; E1166-K1168 PolarHBondContact O-N 2.02Å
1167Q45.9Very low69.1Low168 Ų16888.6 Ų88.679%0.78546%0.458SS*.PPolyproline II helixtrans-71.8116.6179.8-70.1179.1-20.700112
1168K47.5Very low68.6Low118 Ų11894.6 Ų94.651%0.51348%0.48SS..PPolyproline II helixtrans-65128.6164.2-120.3172.8-178.5170.60108.6D934 E1166D934-K1168 IonicContact OD1-NZ 3.93Å; D934-K1168 IonicContact OD2-NZ 3.03Å; D934-K1168 PolarHBondContact OD2-NZ 2.7Å; E1166-K1168 PolarHBondContact O-N 2.02Å
1169P47.6Very low68.2Low125 Ų12595.7 Ų95.781%0.81249%0.488SS*.PPolyproline II helixtrans-68132.1-176.524.5-32.3000112.7
1170I52Low67.8Low140 Ų14097.6 Ų97.672%0.71851%0.508SS*.  trans-103.1114.3-176.4-54.7159.9000109.5
1171P52.7Low67.7Low100 Ų100100.9 Ų100.965%0.64953%0.526SS*.  trans-74.4139.4172.628-31.1000111.5
1172P56.9Low67.4Low79 Ų79104.2 Ų104.251%0.51355%0.554SS.*  trans-70.6138.1-174.125.6-32.7000113.8Y1174 M1175P1172-Y1174 PolarHBondContact O-N 2.89Å; P1172-M1175 HydrophobicContact CG-CG 4.05Å; P1172-M1175 PolarHBondContact O-N 3.03Å; P1172-M1175 VanDerWaalsContact O-N 3.16Å
1173K59Low67.5Low181 Ų181106.3 Ų106.379%0.78757%0.57SS**THydrogen-bonded Turntrans-56.2-22.8-171.5-154.4172.7-173.81720116
1174Y66.3Low67.7Low140 Ų140112.7 Ų112.755%0.54960%0.597SS.*THydrogen-bonded Turntrans-111.921.4-176.9-60.4-70.5000113.9P1172 A1176 L1177 Y1178P1172-Y1174 PolarHBondContact O-N 2.89Å; Y1174-A1176 PolarHBondContact O-N 3.19Å; Y1174-L1177 WeakPolarHBondContact O-CA 3.48Å; Y1174-L1177 PolarHBondContact O-N 3.08Å; Y1174-Y1178 VanDerWaalsContact O-CD2 3.29Å; Y1174-Y1178 WeakPolarHBondContact O-CD2 3.42Å; Y1174-Y1178 PolarHBondContact O-N 2.86Å
1175M73Confident68.6Low103 Ų103111.2 Ų111.251%0.50760%0.599SS.*Hα-helixtrans-47.5-45.4177.8-112.1-109.4-86.800112.8P1172 L1177 Y1178 I1179P1172-M1175 HydrophobicContact CG-CG 4.05Å; P1172-M1175 PolarHBondContact O-N 3.03Å; P1172-M1175 VanDerWaalsContact O-N 3.16Å; M1175-L1177 VanDerWaalsContact C-N 3.34Å; M1175-L1177 PolarHBondContact O-N 3.32Å; M1175-Y1178 PolarHBondContact O-N 2.9Å; M1175-I1179 WeakPolarHBondContact O-CD1 3.31Å; M1175-I1179 WeakPolarHBondContact O-CG1 3.26Å; M1175-I1179 PolarHBondContact O-N 3.14Å; M1175-I1179 HydrophobicContact SD-CD1 4.33Å
1176A73.2Confident70Confident83 Ų83107.3 Ų107.369%0.68659%0.589SS**Hα-helixtrans-63.8-35.2177.900000113.5Y1174 G1180Y1174-A1176 PolarHBondContact O-N 3.19Å; A1176-G1180 PolarHBondContact O-N 3.1Å
1177L77.8Confident71.7Confident101 Ų101105.5 Ų105.553%0.52958%0.583SS.*Hα-helixtrans-75.8-37.2179.1-174137.5000111.7Y1174 M1175 G1180 L1181Y1174-L1177 WeakPolarHBondContact O-CA 3.48Å; Y1174-L1177 PolarHBondContact O-N 3.08Å; M1175-L1177 VanDerWaalsContact C-N 3.34Å; M1175-L1177 PolarHBondContact O-N 3.32Å; L1177-G1180 PolarHBondContact O-N 2.85Å; L1177-L1181 HydrophobicContact CD2-CD1 3.73Å; L1177-L1181 HydrophobicContact CD2-CG 4.45Å; L1177-L1181 PolarHBondContact O-N 3.07Å
1178Y81.5Confident73.7Confident135 Ų135102.1 Ų102.153%0.52957%0.57SS.*Hα-helixtrans-64.8-40.5172.4-61.7-46.2000111.9Y1174 M1175 G1180 L1181 A1182Y1174-Y1178 VanDerWaalsContact O-CD2 3.29Å; Y1174-Y1178 WeakPolarHBondContact O-CD2 3.42Å; Y1174-Y1178 PolarHBondContact O-N 2.86Å; M1175-Y1178 PolarHBondContact O-N 2.9Å; Y1178-G1180 VanDerWaalsContact C-N 3.33Å; Y1178-L1181 PolarHBondContact O-N 2.85Å; Y1178-A1182 WeakPolarHBondContact O-CB 3.12Å; Y1178-A1182 PolarHBondContact O-N 3.17Å
1179I79.3Confident75.7Confident99 Ų99102.2 Ų102.251%0.50858%0.575SS.*Hα-helixtrans-61.3-44172.2-66.5164.2000110M1175 A1182 V1183M1175-I1179 WeakPolarHBondContact O-CD1 3.31Å; M1175-I1179 WeakPolarHBondContact O-CG1 3.26Å; M1175-I1179 PolarHBondContact O-N 3.14Å; M1175-I1179 HydrophobicContact SD-CD1 4.33Å; I1179-A1182 PolarHBondContact O-N 2.97Å; I1179-V1183 VanDerWaalsContact O-CG2 3.29Å; I1179-V1183 WeakPolarHBondContact O-CG2 3.33Å; I1179-V1183 PolarHBondContact O-N 3.05Å
1180G82.4Confident77.6Confident41 Ų41101.1 Ų101.142%0.42356%0.562SS.*Hα-helixtrans-60.7-45.3176.300000113.9A1176 L1177 Y1178 V1183 F1184A1176-G1180 PolarHBondContact O-N 3.1Å; L1177-G1180 PolarHBondContact O-N 2.85Å; Y1178-G1180 VanDerWaalsContact C-N 3.33Å; G1180-V1183 PolarHBondContact O-N 2.73Å; G1180-F1184 WeakPolarHBondContact O-CB 3.27Å; G1180-F1184 PolarHBondContact O-N 3.24Å
1181L86.7Confident79.3Confident113 Ų11397.4 Ų97.459%0.59255%0.548SS*.Hα-helixtrans-64.3-38.8176.5-80.2168.7000112.2L1177 Y1178 F1184 G1185L1177-L1181 HydrophobicContact CD2-CD1 3.73Å; L1177-L1181 HydrophobicContact CD2-CG 4.45Å; L1177-L1181 PolarHBondContact O-N 3.07Å; Y1178-L1181 PolarHBondContact O-N 2.85Å; L1181-F1184 PolarHBondContact O-N 2.88Å; L1181-G1185 PolarHBondContact O-N 3.36Å
1182A84.5Confident80.9Confident70 Ų7096.8 Ų96.858%0.57954%0.539SS*.Hα-helixtrans-65.9-40.7175.500000112.1Y1178 I1179 G1185 G1186Y1178-A1182 WeakPolarHBondContact O-CB 3.12Å; Y1178-A1182 PolarHBondContact O-N 3.17Å; I1179-A1182 PolarHBondContact O-N 2.97Å; A1182-G1185 PolarHBondContact O-N 2.74Å; A1182-G1186 PolarHBondContact O-N 2.86Å
1183V86.2Confident82.3Confident86 Ų8697.2 Ų97.252%0.52154%0.536SS..Hα-helixtrans-63.2-42.1173.8171.90000110.9I1179 G1180 G1186 L1187I1179-V1183 VanDerWaalsContact O-CG2 3.29Å; I1179-V1183 WeakPolarHBondContact O-CG2 3.33Å; I1179-V1183 PolarHBondContact O-N 3.05Å; G1180-V1183 PolarHBondContact O-N 2.73Å; V1183-G1186 PolarHBondContact O-N 3.19Å; V1183-L1187 HydrophobicContact CG1-CD1 4.11Å; V1183-L1187 WeakPolarHBondContact O-CG 3.3Å; V1183-L1187 PolarHBondContact O-N 3.29Å
1184F86.9Confident83.6Confident146 Ų14691.9 Ų91.964%0.6452%0.519SS*.Hα-helixtrans-66-44.1178.3-159.2-90.5000112.1G1180 L1181 G1186 L1187 L1188G1180-F1184 WeakPolarHBondContact O-CB 3.27Å; G1180-F1184 PolarHBondContact O-N 3.24Å; L1181-F1184 PolarHBondContact O-N 2.88Å; F1184-G1186 VanDerWaalsContact C-N 3.35Å; F1184-G1186 PolarHBondContact O-N 3.31Å; F1184-L1187 PolarHBondContact O-N 3.27Å; F1184-L1188 WeakPolarHBondContact O-CB 3.29Å; F1184-L1188 PolarHBondContact O-N 3.5Å
1185G87Confident84.6Confident42 Ų4290 Ų9043%0.43352%0.517SS..Hα-helixtrans-62.1-40.4173.900000112.6L1181 A1182 L1188 L1189L1181-G1185 PolarHBondContact O-N 3.36Å; A1182-G1185 PolarHBondContact O-N 2.74Å; G1185-L1188 PolarHBondContact O-N 3.28Å; G1185-L1189 PolarHBondContact O-N 2.74Å
1186G88.5Confident85.1Confident41 Ų4190.2 Ų90.242%0.42352%0.519SS..Hα-helixtrans-63.8-42.1174.700000113.2A1182 V1183 F1184 L1188 L1189 L1190A1182-G1186 PolarHBondContact O-N 2.86Å; V1183-G1186 PolarHBondContact O-N 3.19Å; F1184-G1186 VanDerWaalsContact C-N 3.35Å; F1184-G1186 PolarHBondContact O-N 3.31Å; G1186-L1188 VanDerWaalsContact C-N 3.35Å; G1186-L1189 PolarHBondContact O-N 2.94Å; G1186-L1190 WeakPolarHBondContact O-CB 3.46Å; G1186-L1190 PolarHBondContact O-N 2.6Å
1187L89.7Confident85.6Confident105 Ų10589 Ų8955%0.5550%0.501SS..Hα-helixtrans-65.9-36.1175.1-77.8169000112.5V1183 F1184 L1190 S1191V1183-L1187 HydrophobicContact CG1-CD1 4.11Å; V1183-L1187 WeakPolarHBondContact O-CG 3.3Å; V1183-L1187 PolarHBondContact O-N 3.29Å; F1184-L1187 PolarHBondContact O-N 3.27Å; L1187-L1190 PolarHBondContact O-N 2.92Å; L1187-S1191 WeakPolarHBondContact O-CB 3.37Å; L1187-S1191 PolarHBondContact O-N 3.5Å
1188L88.8Confident85.7Confident96 Ų9692.6 Ų92.650%0.50351%0.509SS..Hα-helixtrans-69.4-41.9176.7-168143.9000111.5F1184 G1185 G1186 S1191 I1192F1184-L1188 WeakPolarHBondContact O-CB 3.29Å; F1184-L1188 PolarHBondContact O-N 3.5Å; G1185-L1188 PolarHBondContact O-N 3.28Å; G1186-L1188 VanDerWaalsContact C-N 3.35Å; L1188-S1191 WeakPolarHBondContact O-CB 3.42Å; L1188-S1191 PolarHBondContact O-N 2.79Å; L1188-I1192 HydrophobicContact CD2-CD1 3.77Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; L1188-I1192 PolarHBondContact O-N 3.45Å
1189L89.2Confident85.8Confident121 Ų12195.2 Ų95.263%0.63452%0.523SS*.Hα-helixtrans-61.1-44.3172-169.293.2000111.4G1185 G1186 S1191 I1192 L1193G1185-L1189 PolarHBondContact O-N 2.74Å; G1186-L1189 PolarHBondContact O-N 2.94Å; L1189-S1191 VanDerWaalsContact C-N 3.33Å; L1189-S1191 PolarHBondContact O-N 2.79Å; L1189-I1192 PolarHBondContact O-N 2.85Å; L1189-L1193 WeakPolarHBondContact O-CB 3.34Å; L1189-L1193 PolarHBondContact O-N 3.29Å
1190L88.5Confident85.9Confident101 Ų10194.3 Ų94.353%0.52953%0.53SS..Hα-helixtrans-61.5-41.7176.2-170.679.8000111.4G1186 L1187 L1193 V1194G1186-L1190 WeakPolarHBondContact O-CB 3.46Å; G1186-L1190 PolarHBondContact O-N 2.6Å; L1187-L1190 PolarHBondContact O-N 2.92Å; L1190-L1193 PolarHBondContact O-N 3.03Å; L1190-V1194 VanDerWaalsContact O-CG2 3.31Å; L1190-V1194 WeakPolarHBondContact O-CG2 3.35Å; L1190-V1194 PolarHBondContact O-N 3.46Å
1191S86.7Confident84.9Confident62 Ų6294.1 Ų94.143%0.43453%0.528SS..Hα-helixtrans-59-47.2175.4168.10000112L1187 L1188 L1189 L1193 V1194 I1195L1187-S1191 WeakPolarHBondContact O-CB 3.37Å; L1187-S1191 PolarHBondContact O-N 3.5Å; L1188-S1191 WeakPolarHBondContact O-CB 3.42Å; L1188-S1191 PolarHBondContact O-N 2.79Å; L1189-S1191 VanDerWaalsContact C-N 3.33Å; L1189-S1191 PolarHBondContact O-N 2.79Å; S1191-L1193 VanDerWaalsContact C-N 3.31Å; S1191-L1193 PolarHBondContact O-N 2.91Å; S1191-V1194 PolarHBondContact O-N 3.39Å; S1191-I1195 VanDerWaalsContact O-CG1 3.31Å; S1191-I1195 WeakPolarHBondContact O-CG1 3.32Å; S1191-I1195 PolarHBondContact O-N 2.81Å
1192I87.7Confident84.3Confident87 Ų8796 Ų9645%0.44653%0.532SS..Hα-helixtrans-61.4-42.9176.2-67.4168.6000110.4L1188 L1189 V1194 I1195 I1196L1188-I1192 HydrophobicContact CD2-CD1 3.77Å; L1188-I1192 WeakPolarHBondContact O-CG1 3.34Å; L1188-I1192 PolarHBondContact O-N 3.45Å; L1189-I1192 PolarHBondContact O-N 2.85Å; I1192-V1194 PolarHBondContact O-N 2.88Å; I1192-I1195 WeakPolarHBondContact O-CB 3.37Å; I1192-I1195 PolarHBondContact O-N 3.39Å; I1192-I1195 VanDerWaalsContact O-N 3.16Å; I1192-I1196 HydrophobicContact CG2-CD1 3.95Å; I1192-I1196 HydrophobicContact CG2-CG1 4.5Å; I1192-I1196 WeakPolarHBondContact O-CG1 3.47Å; I1192-I1196 PolarHBondContact O-N 3.13Å
1193L86.3Confident83.7Confident89 Ų8997.9 Ų97.947%0.46653%0.527SS..Hα-helixtrans-64.2-39.4178.8-162.2141.1000111.9L1189 L1190 S1191 I1196 L1197L1189-L1193 WeakPolarHBondContact O-CB 3.34Å; L1189-L1193 PolarHBondContact O-N 3.29Å; L1190-L1193 PolarHBondContact O-N 3.03Å; S1191-L1193 VanDerWaalsContact C-N 3.31Å; S1191-L1193 PolarHBondContact O-N 2.91Å; L1193-I1196 PolarHBondContact O-N 2.63Å; L1193-L1197 HydrophobicContact CD2-CD1 3.62Å; L1193-L1197 HydrophobicContact CD2-CG 4.24Å; L1193-L1197 WeakPolarHBondContact O-CB 3.14Å; L1193-L1197 WeakPolarHBondContact O-CG 3.26Å; L1193-L1197 PolarHBondContact O-N 3.38Å
1194V85.4Confident82.1Confident68 Ų68102.7 Ų102.741%0.41254%0.541SS..Hα-helixtrans-63.4-40.1172.1170.40000111.3L1190 S1191 I1192 L1197 Y1198L1190-V1194 VanDerWaalsContact O-CG2 3.31Å; L1190-V1194 WeakPolarHBondContact O-CG2 3.35Å; L1190-V1194 PolarHBondContact O-N 3.46Å; S1191-V1194 PolarHBondContact O-N 3.39Å; I1192-V1194 PolarHBondContact O-N 2.88Å; V1194-L1197 PolarHBondContact O-N 3.18Å; V1194-Y1198 VanDerWaalsContact O-CB 3.27Å; V1194-Y1198 WeakPolarHBondContact O-CB 3.39Å; V1194-Y1198 PolarHBondContact O-N 3.48Å
1195I86.3Confident80.6Confident101 Ų101107.3 Ų107.352%0.51855%0.554SS.*Hα-helixtrans-64-41.8175.6-68.7164.6000110.8S1191 I1192 Y1198 K1199S1191-I1195 VanDerWaalsContact O-CG1 3.31Å; S1191-I1195 WeakPolarHBondContact O-CG1 3.32Å; S1191-I1195 PolarHBondContact O-N 2.81Å; I1192-I1195 WeakPolarHBondContact O-CB 3.37Å; I1192-I1195 PolarHBondContact O-N 3.39Å; I1192-I1195 VanDerWaalsContact O-N 3.16Å; I1195-Y1198 PolarHBondContact O-N 3.47Å; I1195-K1199 WeakPolarHBondContact O-CB 3.44Å; I1195-K1199 PolarHBondContact O-N 3.26Å
1196I84.7Confident78.5Confident107 Ų107114.3 Ų114.355%0.54957%0.573SS.*Hα-helixtrans-62.3-48.1175.1-68.1167000110.4I1192 L1193 Y1198 K1199 A1200I1192-I1196 HydrophobicContact CG2-CD1 3.95Å; I1192-I1196 HydrophobicContact CG2-CG1 4.5Å; I1192-I1196 WeakPolarHBondContact O-CG1 3.47Å; I1192-I1196 PolarHBondContact O-N 3.13Å; L1193-I1196 PolarHBondContact O-N 2.63Å; I1196-Y1198 VanDerWaalsContact C-N 3.32Å; I1196-Y1198 PolarHBondContact O-N 3.37Å; I1196-K1199 PolarHBondContact O-N 2.83Å; I1196-A1200 VanDerWaalsContact O-CB 3.27Å; I1196-A1200 WeakPolarHBondContact O-CB 3.33Å; I1196-A1200 PolarHBondContact O-N 3.47Å
1197L83.3Confident76.3Confident59 Ų59122.7 Ų122.731%0.30959%0.592SS.*Hα-helixtrans-63.4-35.3177.2-73.5171.5000112.7L1193 V1194 A1200 G1201 F1202 F1203L1193-L1197 HydrophobicContact CD2-CD1 3.62Å; L1193-L1197 HydrophobicContact CD2-CG 4.24Å; L1193-L1197 WeakPolarHBondContact O-CB 3.14Å; L1193-L1197 WeakPolarHBondContact O-CG 3.26Å; L1193-L1197 PolarHBondContact O-N 3.38Å; V1194-L1197 PolarHBondContact O-N 3.18Å; L1197-A1200 PolarHBondContact O-N 3.29Å; L1197-G1201 PolarHBondContact O-N 3.03Å; L1197-F1202 PolarHBondContact O-N 2.82Å; L1197-F1203 HydrophobicContact CB-CD2 4.28Å; L1197-F1203 HydrophobicContact CB-CE2 3.49Å; L1197-F1203 VanDerWaalsContact CB-CE2 3.49Å; L1197-F1203 HydrophobicContact CB-CZ 4.24Å; L1197-F1203 HydrophobicContact CD1-CE2 4.38Å; L1197-F1203 HydrophobicContact CD1-CZ 4.35Å
1198Y80.6Confident73.7Confident175 Ų175125.7 Ų125.769%0.68660%0.601SS**Hα-helixtrans-64.8-46.9173.7179.2-98.4000111.5V1194 I1195 I1196 A1200 G1201V1194-Y1198 VanDerWaalsContact O-CB 3.27Å; V1194-Y1198 WeakPolarHBondContact O-CB 3.39Å; V1194-Y1198 PolarHBondContact O-N 3.48Å; I1195-Y1198 PolarHBondContact O-N 3.47Å; I1196-Y1198 VanDerWaalsContact C-N 3.32Å; I1196-Y1198 PolarHBondContact O-N 3.37Å; Y1198-A1200 VanDerWaalsContact C-N 3.29Å; Y1198-A1200 PolarHBondContact O-N 2.97Å; Y1198-G1201 PolarHBondContact O-N 3.05Å
1199K82.2Confident71.4Confident190 Ų190128.2 Ų128.283%0.82661%0.611SS**Hα-helixtrans-68.2-28.3177.5-141.6-179.8-176.1-176.50112.4I1195 I1196 G1201I1195-K1199 WeakPolarHBondContact O-CB 3.44Å; I1195-K1199 PolarHBondContact O-N 3.26Å; I1196-K1199 PolarHBondContact O-N 2.83Å; K1199-G1201 VanDerWaalsContact C-N 3.32Å; K1199-G1201 PolarHBondContact O-N 2.91Å
1200A81.3Confident68.9Low80 Ų80132.1 Ų132.166%0.66162%0.618SS**THydrogen-bonded Turntrans-81.10.2176.500000114.9I1196 L1197 Y1198I1196-A1200 VanDerWaalsContact O-CB 3.27Å; I1196-A1200 WeakPolarHBondContact O-CB 3.33Å; I1196-A1200 PolarHBondContact O-N 3.47Å; L1197-A1200 PolarHBondContact O-N 3.29Å; Y1198-A1200 VanDerWaalsContact C-N 3.29Å; Y1198-A1200 PolarHBondContact O-N 2.97Å
1201G62.8Low66.3Low37 Ų37137.5 Ų137.538%0.38163%0.631SS.*THydrogen-bonded Turntrans84.98.4170.600000116.5L1197 Y1198 K1199 F1203L1197-G1201 PolarHBondContact O-N 3.03Å; Y1198-G1201 PolarHBondContact O-N 3.05Å; K1199-G1201 VanDerWaalsContact C-N 3.32Å; K1199-G1201 PolarHBondContact O-N 2.91Å; G1201-F1203 VanDerWaalsContact C-N 3.32Å; G1201-F1203 PolarHBondContact O-N 2.96Å
1202F74.1Confident64.1Low154 Ų154145.8 Ų145.868%0.67565%0.653SS**THydrogen-bonded Turntrans-66.3-28.4-178.5-173.6-102.8000113.7L1197L1197-F1202 PolarHBondContact O-N 2.82Å
1203F71.5Confident61.4Low109 Ų109148.7 Ų148.748%0.47868%0.675SS.*THydrogen-bonded Turntrans-97.219.6-173.1-63-69.6000115.3L1197 G1201 R1205L1197-F1203 HydrophobicContact CB-CD2 4.28Å; L1197-F1203 HydrophobicContact CB-CE2 3.49Å; L1197-F1203 VanDerWaalsContact CB-CE2 3.49Å; L1197-F1203 HydrophobicContact CB-CZ 4.24Å; L1197-F1203 HydrophobicContact CD1-CE2 4.38Å; L1197-F1203 HydrophobicContact CD1-CZ 4.35Å; G1201-F1203 VanDerWaalsContact C-N 3.32Å; G1201-F1203 PolarHBondContact O-N 2.96Å; F1203-R1205 PolarHBondContact O-N 3.4Å
1204K52.8Low59Low187 Ų187153.9 Ų153.981%0.81369%0.694SS**  trans-74.192.7169.9-74.3-175.9179.5176.60111
1205R55.8Low57Low243 Ų243157.2 Ų157.292%0.91771%0.714SS**  trans-139.1147.1156.9-68.2-168.2-169.3-167.54.2110.6F1203F1203-R1205 PolarHBondContact O-N 3.4Å
1206K42.9Very low55.4Low189 Ų189157.6 Ų157.682%0.82272%0.723SS**  trans-93.9133.2-172.1-86.9-177.1177.41750113.6
1207R42.7Very low53.7Low217 Ų217157.4 Ų157.482%0.81973%0.729SS**  trans71.9149.6142.2-73.3-172.5-174.9-171.72.4119.2
1208F34.7Very low51.2Low168 Ų168161 Ų16174%0.73775%0.753SS**  cis-169.3140.4-19-152.3-113000107.6
1209M39.2Very low49.2Very low148 Ų148161.3 Ų161.373%0.72976%0.761SS**  trans43.2148.9149.5-59.4-66.6-177.200120.6
1210R37.2Very low47.2Very low203 Ų203158.5 Ų158.577%0.76676%0.762SS**  178.2154.458.4-151.7-171.4-175.9177.81.3111
1211R33.5Very low44.9Very low215 Ų215161.1 Ų161.181%0.81177%0.77SS**  trans49133.5145.5-96.3-178.5176174-2.8124.1
1212R41.5Very low44.1Very low236 Ų236168.4 Ų168.489%0.89179%0.794SS**  trans-67.9152.5169.9-60.2169.3169.9174.2-5114.2
1213T30.7Very low42.4Very low148 Ų148173.3 Ų173.391%0.90881%0.808SS**  trans-162.1152.6133.77.50000113.4
1214K36.1Very low40.4Very low198 Ų198176.5 Ų176.586%0.86183%0.829SS**  trans-67.4158.6-176.9-60.1168.4170.3179.60114.7
1215V42.5Very low39.7Very low138 Ų138170.9 Ų170.984%0.83683%0.825SS**  trans-157144142.8-162.20000111
1216P52.5Low38.5Very low109 Ų109167 Ų16771%0.70882%0.817SS**  trans-95.8-148.7167.241.8-35.4000110
1217P51Low37.8Very low103 Ų103167.2 Ų167.267%0.66981%0.814SS**  cis-134.8-157.2-20.934.5-10.7000113.3
1218T29.7Very low37.3Very low134 Ų134163.2 Ų163.282%0.82281%0.814SS**  trans102.8142.9144.436.40000124.7
1219E38.8Very low37Very low182 Ų182160 Ų16085%0.8581%0.812SS**  trans-70.4175-171.4-58.3168.5145.200117.5
1220P39.9Very low36.6Very low130 Ų130159.3 Ų159.384%0.84482%0.816SS**  trans-138.9155.2139.234.1-17000117.4
1221T33.6Very low36Very low135 Ų135157.3 Ų157.383%0.82882%0.816SS**  trans-89.1151.8-174.320.10000115.5
1222Q44.9Very low35.9Very low190 Ų190152.1 Ų152.189%0.88881%0.81SS**  trans-153.6121157.1-67.3-170.6-9.400108.4
1223R40Very low35.3Very low258 Ų258150.2 Ų150.297%0.97481%0.808SS**  106.8131.958.2-92.1-160.6-163.6-159.35.9113.3
1224L28.1Very low35Very low175 Ų175150.8 Ų150.892%0.91680%0.801SS**  trans-73.9154.5-166.5-159.580.9000117.2
1225G38.5Very low34.4Very low70 Ų70151.7 Ų151.772%0.72280%0.798SS**  trans139.890.8156.200000114.1
1226Q31.6Very low33.8Very low161 Ų161153.1 Ų153.175%0.75280%0.796SS**  76.9113.879.6-86.8-167.3-1700118.2
1227Y28.4Very low32.7Very low193 Ų193153.7 Ų153.776%0.75780%0.8SS**  trans55.7126.4147.4-60.5-74.7000120.4
1228T31.6Very low31.5Very low133 Ų133155.8 Ų155.882%0.81681%0.805SS**  -164.4151.557.222.90000112.3
1229S27.3Very low31.2Very low100 Ų100155 Ų15570%0.69980%0.8SS**  trans-59.6150.1177.6550000115
1230T31.2Very low30.6Very low134 Ų134151.1 Ų151.182%0.82279%0.792SS**  -166.2112.373.726.90000112
1231E25Very low30Very low161 Ų161150.3 Ų150.375%0.75279%0.787SS**  trans-70.9172.3145-107.4-179.8176.500109.5
1232P31.8Very low29.5Very low107 Ų107150.9 Ų150.970%0.69578%0.784SS**  cis-148.6-178.441.638.6-13.6000113.6
1233K29.3Very low28.7Very low196 Ų196149.9 Ų149.985%0.85278%0.779SS**  cis-152.3136.128.2-75.9177173.8175.60110.2
1234Q23.3Very low27.8Very low160 Ų160143.5 Ų143.575%0.74877%0.768SS**  trans-96.9149.6163-78.2-175.2-4.400112
1235R24.1Very low27.8Very low216 Ų216140 Ų14082%0.81576%0.759SS**  trans42.3131.7136.8-62.5-176.3-176.8-138.11.1122.5
1236Q28.7Very low27Very low169 Ų169146.2 Ų146.279%0.7976%0.762SS**  trans20.3141.6135.6-72.5178.4-1500119.7
1237P30.9Very low26.8Very low121 Ų121146 Ų14679%0.78676%0.761SS**  -147.5160.572.130.6-7.2000114.5
1238L24.1Very low26.7Very low147 Ų147142.6 Ų142.677%0.7776%0.755SS**  53.7103.280-100121.7000118
1239V23.6Very low26.3Very low118 Ų118142.9 Ų142.972%0.71575%0.752SS**  trans73.1117.7134.3-179.10000122.4
1240S26.1Very low26.3Very low99 Ų99150.2 Ų150.269%0.69276%0.764SS**  trans61.1140.9149.377.70000119.9
1241P29Very low25.8Very low114 Ų114153.2 Ų153.274%0.7477%0.766SS**  -142.4147.777.725.8-2.7000114.7
1242I21.5Very low25.9Very low147 Ų147152.9 Ų152.975%0.75477%0.768SS**  53.7114.694-46.5173.2000115.7
1243Q27.9Very low25.5Very low169 Ų169154.6 Ų154.679%0.7977%0.771SS**  169.2113.2124.1-94.6-176-12.900110.7
1244T22.7Very low25.3Very low123 Ų123150.3 Ų150.376%0.75577%0.766SS**  54.3127.3109.261.20000114.1
1245S27.6Very low25.6Very low102 Ų102154.3 Ų154.371%0.71377%0.774SS**  cis-173.4149.739.3510000111.1
1246Y22.1Very low25.6Very low200 Ų200155.1 Ų155.178%0.78478%0.777SS**  trans22.3118.6140.5-83.8-97.7000119.4
1247H27.8Very low25.6Very low158 Ų158153.1 Ų153.173%0.73178%0.777SS**  173.8141.781.7-117.6-61.9000112
1248D25.6Very low25.4Very low120 Ų120154.1 Ų154.164%0.64278%0.776SS**  trans-8129.2161.8-83.4-59.5000122.6
1249N22.6Very low25.5Very low140 Ų140156.4 Ų156.475%0.74978%0.775SS**  4399.8119.5-72.4-42.8000118.1
1250R26.6Very low25.6Very low254 Ų254159 Ų15996%0.95878%0.779SS**  -157.4126129.9-108.2165.2-166-166.14111.6
1251K22.1Very low25.6Very low196 Ų196160 Ų16085%0.85278%0.784SS**  trans-47143.9161.8-65.6170.8174.3176.60110.5
1252I26.7Very low25.6Very low155 Ų155161 Ų16180%0.79579%0.787SS**  172.4115.1121.7-83.7154000109.6
1253N23.6Very low25.9Very low142 Ų142159.7 Ų159.776%0.75979%0.788SS**  trans31.5133139.6-60.2-18.7000123
1254S25Very low26Very low107 Ų107159 Ų15975%0.74879%0.79SS**  trans87.6105.1138.380.90000117.5
1255R29.1Very low26.2Very low243 Ų243159.7 Ų159.792%0.91779%0.794SS**  -171.2133.1104.9-97.2171.7-174.7-165.11.9111.1
1256R24.5Very low26.1Very low234 Ų234163.8 Ų163.888%0.88380%0.802SS**  trans-11.7130.2157.9-65.8170.9172.8176.7-4116.4
1257T29.5Very low26.3Very low127 Ų127162.9 Ų162.978%0.77981%0.805SS**  -173.5120105.432.60000111.2
1258N26.8Very low26.3Very low142 Ų142160.7 Ų160.776%0.75981%0.805SS**  trans47.3104.3144.2-59.1-10.9000121.8
1259Y24.5Very low26.2Very low195 Ų195161.2 Ų161.277%0.76581%0.812SS**  26.4132109.5-74.5-83.9000117.6
1260H26.3Very low26.4Very low172 Ų172165.2 Ų165.280%0.79682%0.819SS**  cis-151.6137.932.7-83.7-83.6000111.9
1261P26.1Very low26.4Very low121 Ų121164.2 Ų164.279%0.78682%0.815SS**  trans-107.2157161.723-5.2000113.7
1262V28.6Very low26.3Very low135 Ų135166.7 Ų166.782%0.81882%0.819SS**PPolyproline II helixtrans-56139.4-174.2179.30000113.8
1263P28.9Very low26.3Very low119 Ų119165 Ų16577%0.77382%0.816SS**PPolyproline II helixtrans-80.7120.8-176.630.6-31.2000112.1
1264N28.7Very low26.3Very low154 Ų154164.3 Ų164.382%0.82482%0.819SS**PPolyproline II helixtrans-79.9135.3161.7-97-13.2000109.8Q1266N1264-Q1266 PolarHBondContact O-N 2.91Å
1265T27.2Very low26.2Very low138 Ų138167.7 Ų167.785%0.84782%0.817SS**  trans-48.3115.3171.246.20000112.5
1266Q26Very low25.9Very low188 Ų188160.9 Ų160.988%0.87981%0.806SS**  trans-115.9122.6160.7-79.3-171.2-15.300109N1264N1264-Q1266 PolarHBondContact O-N 2.91Å
1267E25.6Very low25.9Very low180 Ų180154.6 Ų154.684%0.84180%0.796SS**  trans-56.6139.7173-67.9172.414500111.2T1269E1267-T1269 PolarHBondContact O-N 3.01Å
1268P27.3Very low25.6Very low112 Ų112151.6 Ų151.673%0.72778%0.78SS**  trans-73.1113.8-179.927.8-30.5000110.3Y1270P1268-Y1270 PolarHBondContact O-N 3.22Å
1269T24.7Very low25.7Very low131 Ų131150.6 Ų150.680%0.80478%0.784SS**  trans-67.1108.616634.50000109E1267 R1271E1267-T1269 PolarHBondContact O-N 3.01Å; T1269-R1271 PolarHBondContact O-N 3.47Å
1270Y26.8Very low25.7Very low225 Ų225147.4 Ų147.488%0.88278%0.78SS**  trans-58.2101.4171.1-84.9-95000110.2P1268 R1272P1268-Y1270 PolarHBondContact O-N 3.22Å; Y1270-R1272 PolarHBondContact O-N 3.46Å
1271R25.4Very low25.7Very low232 Ų232144.2 Ų144.288%0.87576%0.764SS**  trans-74.2118.6162.9-83.3-172.5-177.9-174.61.5108.6T1269 T1273T1269-R1271 PolarHBondContact O-N 3.47Å; R1271-T1273 PolarHBondContact O-N 3.24Å
1272R22Very low25.6Very low248 Ų248144.3 Ų144.394%0.93677%0.765SS**  trans-60.5115.3166.6-68.1178.1-179.4-177.9-1.1109.2Y1270Y1270-R1272 PolarHBondContact O-N 3.46Å
1273T25.7Very low25.4Very low119 Ų119144.3 Ų144.373%0.7376%0.759SS**  trans-112.4141.4157.239.50000108.7R1271R1271-T1273 PolarHBondContact O-N 3.24Å
1274P23.6Very low25.1Very low128 Ų128144 Ų14483%0.83176%0.76SS**  trans-76.2142.4-168.7-3.922.3000111.2
1275Y23.2Very low24.8Very low179 Ų179145.2 Ų145.270%0.70276%0.76SS**  trans-64.6123.5177.6-76.7-100.5000111.8S267S267-Y1275 WeakPolarHBondContact CB-OH 3.38Å; S267-Y1275 PolarHBondContact OG-OH 2.82Å
1276S22.1Very low24.7Very low99 Ų99151.5 Ų151.569%0.69278%0.776SS**  trans-133.6114.1150.1590000107.7S1278S1276-S1278 PolarHBondContact O-N 3.14Å
1277P24.1Very low24.7Very low102 Ų102149.7 Ų149.766%0.66277%0.771SS**  trans-88.799.1179.532.9-26.9000109.6
1278S24.8Very low24.6Very low64 Ų64148.1 Ų148.145%0.44877%0.767SS.*  trans-115.1134.1155.2370000107S1276 D1280S1276-S1278 PolarHBondContact O-N 3.14Å; S1278-D1280 PolarHBondContact O-N 2.98Å; S1278-D1280 PolarHBondContact OG-OD2 3.17Å
1279S27.6Very low24.5Very low121 Ų121150.1 Ų150.185%0.84677%0.769SS**  trans-62.872.3163.354.10000109.1
1280D23.9Very low24.5Very low128 Ų128151.2 Ų151.268%0.68477%0.767SS**  trans-88116.8177.4-75.8-30000109.3S1278S1278-D1280 PolarHBondContact O-N 2.98Å; S1278-D1280 PolarHBondContact OG-OD2 3.17Å
1281F27.6Very low24.3Very low105 Ų105146.6 Ų146.646%0.46176%0.76SS.*  trans-44.6143.2160.1-87.4-101.9000110.6I1283F1281-I1283 VanDerWaalsContact C-N 3.28Å; F1281-I1283 PolarHBondContact O-N 3.25Å
1282P23.9Very low24.2Very low124 Ų124140.9 Ų140.981%0.80575%0.752SS**  trans-7193.3161.730.6-28000107.3S1284P1282-S1284 PolarHBondContact O-N 2.7Å
1283I23.6Very low24.4Very low135 Ų135133.3 Ų133.369%0.69274%0.739SS**  trans-64.5115.7162.4-63172.9000105.8F1281 H1285F1281-I1283 VanDerWaalsContact C-N 3.28Å; F1281-I1283 PolarHBondContact O-N 3.25Å; I1283-H1285 PolarHBondContact O-N 3.26Å
1284S22.6Very low24.3Very low113 Ų113134.4 Ų134.479%0.7974%0.74SS**  trans-64.399.9172.156.60000108.5P1282 K1286P1282-S1284 PolarHBondContact O-N 2.7Å; S1284-K1286 PolarHBondContact O-N 3.03Å
1285H23Very low24.4Very low179 Ų179134.9 Ų134.983%0.82973%0.732SS**  trans-67.5112.3165.9-86.7-72.8000108.4I1283I1283-H1285 PolarHBondContact O-N 3.26Å
1286K26Very low24.5Very low270 Ų270130.9 Ų130.9100%1.17474%0.735SS**  trans-70.50145.4-99-175.7177.2175.30109.7S1284S1284-K1286 PolarHBondContact O-N 3.03Å

Retrieved 1,286 of 1,286 residues in 296.8 ms (Link to these results)

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