A0A096NFJ6_PAPAN Loading...

Chromosome 1 open reading frame 74

AlphaFold DB , UniProt , Accession A0A096NFJ6, Species PAPAN (Papio anubis, Olive baboon), Gene C1orf74, Length 270 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low47.5Very low244 Ų244144.4 Ų144.4100%1.20276%0.76SS**  0106.20-131.917273.400105.8L3M1-L3 PolarHBondContact O-N 3.29Å
2L33.5Very low51.2Low170 Ų170135.2 Ų135.289%0.8972%0.715SS**  trans-62.8124.3-162.4-75.5142.8000111.5L4L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact O-N 3.08Å
3L33Very low54.4Low164 Ų164136.8 Ų136.886%0.85972%0.717SS**  trans-56.1106.6154.2-90.2131.1000106.5M1 D5M1-L3 PolarHBondContact O-N 3.29Å; L3-D5 PolarHBondContact O-N 3.12Å; L3-D5 VanDerWaalsContact O-N 3.1Å
4L35.7Very low57.3Low160 Ų160132.4 Ų132.484%0.83869%0.693SS**  trans-56.4113155.9-89.6120.8000105.8L2 L6L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact O-N 3.08Å; L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.48Å
5D35.6Very low59.8Low151 Ų151123.9 Ų123.981%0.80765%0.649SS**  trans-49.9103.3161.4-86.6-37000106.8L3 M7L3-D5 PolarHBondContact O-N 3.12Å; L3-D5 VanDerWaalsContact O-N 3.1Å; D5-M7 PolarHBondContact O-N 2.91Å
6L38.2Very low62Low160 Ų160116.9 Ų116.984%0.83861%0.613SS**  trans-62.691166.7-157.893.5000103.8L4 S8L4-L6 VanDerWaalsContact C-N 3.28Å; L4-L6 PolarHBondContact O-N 3.48Å; L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 2.98Å
7M43.9Very low64Low124 Ų124111.9 Ų111.961%0.61159%0.592SS**  trans-52107.3167.6-70.4-138.4-41.700105.2D5 S9D5-M7 PolarHBondContact O-N 2.91Å; M7-S9 PolarHBondContact O-N 2.92Å
8S50.8Low65.7Low97 Ų97105.7 Ų105.768%0.67856%0.56SS**  trans-52.2108.6-177.512.30000106.8L6L6-S8 VanDerWaalsContact C-N 3.29Å; L6-S8 PolarHBondContact O-N 2.98Å
9S62.1Low67.3Low95 Ų95100.2 Ų100.266%0.66453%0.531SS*.  trans-49.7136.3177.8-54.80000108.3M7 R11M7-S9 PolarHBondContact O-N 2.92Å; S9-R11 PolarHBondContact O-N 3.02Å
10P69.3Low68.6Low49 Ų4998.5 Ų98.532%0.31852%0.519SS..  trans-52.1122.4-174.5-16.319.9000108.9P12 L15 F78 L211P10-P12 WeakPolarHBondContact O-CD 3.09Å; P10-P12 VanDerWaalsContact O-N 3.15Å; P10-L15 HydrophobicContact CB-CD1 4.01Å; P10-F78 HydrophobicContact CB-CD2 4.03Å; P10-F78 HydrophobicContact CB-CE2 4.04Å; P10-F78 HydrophobicContact CG-CD2 4.29Å; P10-F78 HydrophobicContact CG-CE2 4.11Å; P10-L211 HydrophobicContact CB-CD2 4.39Å; P10-L211 HydrophobicContact CG-CD2 4.24Å
11R87.4Confident69.7Low174 Ų17499.6 Ų99.666%0.65752%0.522SS*.  trans-72.7108.1179.1-67.7-177.2-173159.63.6107.3S9 Q13 L14 L15S9-R11 PolarHBondContact O-N 3.02Å; R11-Q13 PolarHBondContact O-N 3.19Å; R11-L14 HydrophobicContact CB-CB 4.39Å; R11-L14 HydrophobicContact CB-CD1 3.94Å; R11-L14 HydrophobicContact CB-CG 3.96Å; R11-L14 HydrophobicContact CG-CD1 4.42Å; R11-L14 PolarHBondContact O-N 2.86Å; R11-L15 PolarHBondContact O-N 3.26Å
12P91.4Very high72.6Confident34 Ų3488.9 Ų88.922%0.22147%0.47CS..Hα-helixtrans-61.3-27.8-169.7-24.436.8000112.5P10 L14 L15 V16 L37 L211P10-P12 WeakPolarHBondContact O-CD 3.09Å; P10-P12 VanDerWaalsContact O-N 3.15Å; P12-L14 VanDerWaalsContact C-N 3.35Å; P12-L15 PolarHBondContact O-N 2.98Å; P12-V16 WeakPolarHBondContact O-CB 3.35Å; P12-V16 WeakPolarHBondContact O-CG2 3.23Å; P12-V16 PolarHBondContact O-N 2.93Å; P12-V16 VanDerWaalsContact O-N 3.07Å; P12-L37 HydrophobicContact CB-CD1 4.26Å; P12-L37 HydrophobicContact CB-CD2 3.78Å; P12-L211 HydrophobicContact CB-CD1 4.34Å; P12-L211 HydrophobicContact CG-CD1 4.08Å; P12-L211 HydrophobicContact CG-CD2 4.49Å
13Q93.4Very high75.4Confident157 Ų15781 Ų8173%0.73443%0.429SS*.Hα-helixtrans-64.2-36.5176.4-66.5171.5-10.200112.7R11 A17R11-Q13 PolarHBondContact O-N 3.19Å; Q13-A17 WeakPolarHBondContact O-CB 3.5Å; Q13-A17 PolarHBondContact O-N 3.43Å
14L94.8Very high77.7Confident75 Ų7573.6 Ų73.639%0.39339%0.392SS..Hα-helixtrans-71.3-41.4178.6-63.6-179000111.1R11 P12 V16 A17 A18 L76R11-L14 HydrophobicContact CB-CB 4.39Å; R11-L14 HydrophobicContact CB-CD1 3.94Å; R11-L14 HydrophobicContact CB-CG 3.96Å; R11-L14 HydrophobicContact CG-CD1 4.42Å; R11-L14 PolarHBondContact O-N 2.86Å; P12-L14 VanDerWaalsContact C-N 3.35Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 3.41Å; L14-A17 PolarHBondContact O-N 3.34Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.34Å; L14-L76 HydrophobicContact CB-CD1 4.02Å; L14-L76 HydrophobicContact CB-CD2 4.23Å; L14-L76 HydrophobicContact CD1-CD2 4.11Å
15L95.1Very high79.2Confident4 Ų472.5 Ų72.52%0.02139%0.385CS..Hα-helixtrans-61.2-41.2175.2-56179.3000111.5P10 R11 P12 A19 L37 A40 L73 F78 W210P10-L15 HydrophobicContact CB-CD1 4.01Å; R11-L15 PolarHBondContact O-N 3.26Å; P12-L15 PolarHBondContact O-N 2.98Å; L15-A19 PolarHBondContact O-N 3.1Å; L15-A19 VanDerWaalsContact O-N 3.14Å; L15-L37 HydrophobicContact CB-CD2 4.24Å; L15-L37 HydrophobicContact CD1-CD2 4.34Å; L15-A40 HydrophobicContact CB-CB 4.3Å; L15-A40 HydrophobicContact CD1-CB 4.15Å; L15-L73 HydrophobicContact CD2-CD2 3.66Å; L15-F78 HydrophobicContact CD1-CD2 4.32Å; L15-F78 HydrophobicContact CD1-CE2 3.9Å; L15-F78 HydrophobicContact CD1-CZ 4.25Å; L15-F78 HydrophobicContact CD2-CB 4.18Å; L15-F78 HydrophobicContact CD2-CD1 4.06Å; L15-F78 HydrophobicContact CD2-CD2 3.71Å; L15-F78 HydrophobicContact CD2-CE1 4.37Å; L15-F78 HydrophobicContact CD2-CE2 4.03Å; L15-F78 HydrophobicContact CD2-CG 3.71Å; L15-F78 HydrophobicContact CD2-CZ 4.34Å; L15-W210 HydrophobicContact CD1-CH2 4.05Å
16V95.2Very high80.5Confident12 Ų1269.7 Ų69.77%0.07339%0.391CS..Hα-helixtrans-66.5-44.9176.9173.10000110.8P12 L14 A19 Q20 Q33 C36 L37P12-V16 WeakPolarHBondContact O-CB 3.35Å; P12-V16 WeakPolarHBondContact O-CG2 3.23Å; P12-V16 PolarHBondContact O-N 2.93Å; P12-V16 VanDerWaalsContact O-N 3.07Å; L14-V16 VanDerWaalsContact C-N 3.29Å; L14-V16 PolarHBondContact O-N 3.41Å; V16-A19 PolarHBondContact O-N 3.42Å; V16-Q20 HydrophobicContact CG1-CG 4.26Å; V16-Q20 WeakPolarHBondContact O-CB 3.36Å; V16-Q20 VanDerWaalsContact O-CG 3.23Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.37Å; V16-Q33 HydrophobicContact CB-CG 4.49Å; V16-Q33 HydrophobicContact CG1-CB 4.49Å; V16-Q33 HydrophobicContact CG1-CG 4.18Å; V16-Q33 HydrophobicContact CG2-CG 3.55Å; V16-C36 HydrophobicContact CB-CB 4.35Å; V16-C36 HydrophobicContact CG1-CB 4.42Å; V16-C36 HydrophobicContact CG2-CB 4.05Å; V16-L37 HydrophobicContact CG2-CD1 4.39Å; V16-L37 HydrophobicContact CG2-CD2 3.77Å; V16-L37 HydrophobicContact CG2-CG 3.77Å
17A94.9Very high81.9Confident32 Ų3265.8 Ų65.826%0.26437%0.367SS..Hα-helixtrans-60.3-46.8177.400000111.4Q13 L14 A19 Q20 Q21Q13-A17 WeakPolarHBondContact O-CB 3.5Å; Q13-A17 PolarHBondContact O-N 3.43Å; L14-A17 PolarHBondContact O-N 3.34Å; A17-A19 PolarHBondContact O-N 3.18Å; A17-Q20 PolarHBondContact O-N 3.4Å; A17-Q21 VanDerWaalsContact O-CB 3.32Å; A17-Q21 WeakPolarHBondContact O-CB 3.39Å; A17-Q21 VanDerWaalsContact O-CG 3.24Å; A17-Q21 WeakPolarHBondContact O-CG 3.32Å; A17-Q21 PolarHBondContact O-N 3.33Å
18A95.6Very high82.8Confident1 Ų172.2 Ų72.21%0.00839%0.385CS..Hα-helixtrans-54.5-52.117700000111.5L14 Q20 Q21 T22 Y69 E72 L73 L76L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.34Å; A18-Q20 PolarHBondContact O-N 2.87Å; A18-Q21 PolarHBondContact O-N 3.46Å; A18-T22 WeakPolarHBondContact O-CB 3.4Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 VanDerWaalsContact O-N 3.1Å; A18-T22 PolarHBondContact O-OG1 3.04Å; A18-Y69 HydrophobicContact CB-CE2 4.47Å; A18-E72 HydrophobicContact CB-CB 4.22Å; A18-E72 HydrophobicContact CB-CG 3.47Å; A18-E72 VanDerWaalsContact CB-CG 3.47Å; A18-L73 HydrophobicContact CB-CD2 4.36Å; A18-L76 HydrophobicContact CB-CD1 4.18Å
19A95Very high83.8Confident1 Ų178.2 Ų78.21%0.00839%0.393CS..Hα-helixtrans-62.3-41.617800000112.6L15 V16 A17 L23 C36 Y69L15-A19 PolarHBondContact O-N 3.1Å; L15-A19 VanDerWaalsContact O-N 3.14Å; V16-A19 PolarHBondContact O-N 3.42Å; A17-A19 PolarHBondContact O-N 3.18Å; A19-L23 HydrophobicContact CB-CD1 4.24Å; A19-L23 WeakPolarHBondContact O-CA 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.34Å; A19-L23 PolarHBondContact O-N 3.02Å; A19-C36 HydrophobicContact CB-CB 3.74Å; A19-Y69 HydrophobicContact CB-CD2 4.22Å; A19-Y69 HydrophobicContact CB-CE2 3.71Å
20Q93.4Very high84.8Confident65 Ų6577.1 Ų77.130%0.30439%0.385SS..Hα-helixtrans-70.8-34-178.7-71.6179.2-20.600113V16 A17 A18 G24 P31V16-Q20 HydrophobicContact CG1-CG 4.26Å; V16-Q20 WeakPolarHBondContact O-CB 3.36Å; V16-Q20 VanDerWaalsContact O-CG 3.23Å; V16-Q20 WeakPolarHBondContact O-CG 3.48Å; V16-Q20 PolarHBondContact O-N 3.37Å; A17-Q20 PolarHBondContact O-N 3.4Å; A18-Q20 PolarHBondContact O-N 2.87Å; Q20-G24 WeakPolarHBondContact O-CA 3.42Å; Q20-G24 PolarHBondContact O-N 3.06Å; Q20-P31 HydrophobicContact CG-CG 4.07Å; Q20-P31 PolarHBondContact NE2-O 3.07Å
21Q92.8Very high85.6Confident122 Ų12275.6 Ų75.657%0.5738%0.375SS*.Hα-helixtrans-76.5-31.4179.4-74.1174.1-8.700113A17 A18 M25A17-Q21 VanDerWaalsContact O-CB 3.32Å; A17-Q21 WeakPolarHBondContact O-CB 3.39Å; A17-Q21 VanDerWaalsContact O-CG 3.24Å; A17-Q21 WeakPolarHBondContact O-CG 3.32Å; A17-Q21 PolarHBondContact O-N 3.33Å; A18-Q21 PolarHBondContact O-N 3.46Å; Q21-M25 WeakPolarHBondContact O-CG 3.3Å
22T93.8Very high85.8Confident19 Ų1971 Ų7112%0.11737%0.368CS..Hα-helixtrans-99.2-49.2-175.653.50000111.6A18 Y69A18-T22 WeakPolarHBondContact O-CB 3.4Å; A18-T22 PolarHBondContact O-N 3.38Å; A18-T22 VanDerWaalsContact O-N 3.1Å; A18-T22 PolarHBondContact O-OG1 3.04Å; T22-Y69 WeakPolarHBondContact OG1-CA 3.05Å; T22-Y69 WeakPolarHBondContact OG1-CB 3.47Å
23L91.4Very high85.8Confident5 Ų573.3 Ų73.33%0.02638%0.376CS..THydrogen-bonded Turntrans-87.8-8.7-176.2-49.3173.7000113.3A19 L39 Y56 N59 A61 E65 L66 Y69A19-L23 HydrophobicContact CB-CD1 4.24Å; A19-L23 WeakPolarHBondContact O-CA 3.46Å; A19-L23 WeakPolarHBondContact O-CB 3.34Å; A19-L23 PolarHBondContact O-N 3.02Å; L23-L39 HydrophobicContact CD1-CD2 3.56Å; L23-Y56 HydrophobicContact CD1-CE2 4.08Å; L23-N59 PolarHBondContact O-ND2 2.97Å; L23-A61 HydrophobicContact CD2-CB 4.11Å; L23-E65 HydrophobicContact CD2-CB 4.33Å; L23-L66 HydrophobicContact CD2-CD2 3.85Å; L23-L66 HydrophobicContact CD2-CG 4.49Å; L23-Y69 HydrophobicContact CD1-CD1 4.08Å; L23-Y69 HydrophobicContact CD1-CD2 4.18Å; L23-Y69 HydrophobicContact CD1-CE1 4.38Å; L23-Y69 HydrophobicContact CD1-CE2 4.49Å; L23-Y69 HydrophobicContact CD1-CG 3.96Å; L23-Y69 HydrophobicContact CD2-CG 4.25Å; L23-Y69 HydrophobicContact CG-CD2 4.42Å; L23-Y69 HydrophobicContact CG-CG 4.13Å
24G81.9Confident85.7Confident9 Ų969.4 Ų69.49%0.09337%0.37CS..THydrogen-bonded Turntrans-97.5-6.2178.300000115Q20 G26 K27Q20-G24 WeakPolarHBondContact O-CA 3.42Å; Q20-G24 PolarHBondContact O-N 3.06Å; G24-G26 PolarHBondContact O-N 3.39Å; G24-K27 PolarHBondContact O-N 2.93Å
25M67.6Low85.6Confident137 Ų13769.2 Ų69.268%0.67537%0.369SS*.THydrogen-bonded Turntrans-59.2131.8-175.6-73.3-71.9-8400111.4Q21 K27Q21-M25 WeakPolarHBondContact O-CG 3.3Å; M25-K27 VanDerWaalsContact C-N 3.29Å; M25-K27 PolarHBondContact O-N 3.25Å
26G61.5Low85.6Confident91 Ų9169.1 Ų69.194%0.93837%0.368SS*.THydrogen-bonded Turntrans77.11.8179.800000115.9G24G24-G26 PolarHBondContact O-N 3.39Å
27K67.6Low85.5Confident78 Ų7869.1 Ų69.134%0.33937%0.368SS..  trans-102.3148.9-178.6-60.4-174.6-175.7175.60112.2G24 M25 R29 N59G24-K27 PolarHBondContact O-N 2.93Å; M25-K27 VanDerWaalsContact C-N 3.29Å; M25-K27 PolarHBondContact O-N 3.25Å; K27-R29 PolarHBondContact O-N 2.92Å; K27-N59 PolarHBondContact NZ-OD1 3.17Å
28R63.4Low85.5Confident259 Ų25970.7 Ų70.798%0.97737%0.37SS*.SBendtrans-65.7-22.6178.6-72.9-174.8-179.6178.90.8113.6
29R72.7Confident85.5Confident224 Ų22471 Ų7185%0.84537%0.371SS*.SBendtrans-144.1133.3-179.5-68.7-175.2178.8173.4-0.5110.5K27K27-R29 PolarHBondContact O-N 2.92Å
30S81.8Confident85.5Confident71 Ų7170.9 Ų70.950%0.49737%0.37SS..PPolyproline II helixtrans-69152.2173.6-50.20000111.4
31P86.3Confident85.6Confident17 Ų1767.8 Ų67.811%0.1136%0.356CS..PPolyproline II helixtrans-59.1140.7177.120.8-30.9000111.7Q20Q20-P31 HydrophobicContact CG-CG 4.07Å; Q20-P31 PolarHBondContact NE2-O 3.07Å
32P91.4Very high85.8Confident78 Ų7863.3 Ų63.351%0.50634%0.335SS..PPolyproline II helixtrans-57.6146.7174.6-23.332.1000112.4A34 I35 C36P32-A34 PolarHBondContact O-N 3.45Å; P32-A34 VanDerWaalsContact O-N 3.12Å; P32-I35 HydrophobicContact CB-CG1 4.36Å; P32-I35 HydrophobicContact CG-CD1 4.11Å; P32-I35 HydrophobicContact CG-CG1 4.38Å; P32-I35 PolarHBondContact O-N 3.41Å; P32-C36 PolarHBondContact O-N 3.48Å; P32-C36 VanDerWaalsContact O-N 3.15Å; P32-C36 PolarHBondContact O-SG 3.47Å
33Q92.4Very high85.9Confident83 Ų8362.4 Ų62.439%0.38833%0.329SS..Hα-helixtrans-51.1-41.7-179.2-171.3-178.4500113.2V16 I35 C36 L37V16-Q33 HydrophobicContact CB-CG 4.49Å; V16-Q33 HydrophobicContact CG1-CB 4.49Å; V16-Q33 HydrophobicContact CG1-CG 4.18Å; V16-Q33 HydrophobicContact CG2-CG 3.55Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.88Å; Q33-C36 PolarHBondContact O-N 2.94Å; Q33-L37 HydrophobicContact CG-CD1 4.13Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 3.26Å
34A91.6Very high86.1Confident75 Ų7562.4 Ų62.462%0.6233%0.329SS*.Hα-helixtrans-62.2-40.1-179.800000112.3P32 H38P32-A34 PolarHBondContact O-N 3.45Å; P32-A34 VanDerWaalsContact O-N 3.12Å; A34-H38 WeakPolarHBondContact O-CB 3.19Å; A34-H38 PolarHBondContact O-N 3.14Å
35I92.4Very high86.8Confident70 Ų7062 Ų6236%0.35933%0.325SS..Hα-helixtrans-68.7-44.5178.4-59.6-170.6000110.2P32 Q33 L37 H38 L39 C58P32-I35 HydrophobicContact CB-CG1 4.36Å; P32-I35 HydrophobicContact CG-CD1 4.11Å; P32-I35 HydrophobicContact CG-CG1 4.38Å; P32-I35 PolarHBondContact O-N 3.41Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 2.88Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 2.9Å; I35-H38 PolarHBondContact O-N 2.9Å; I35-L39 WeakPolarHBondContact O-CB 3.2Å; I35-L39 PolarHBondContact O-N 2.69Å; I35-C58 HydrophobicContact CG2-CB 4.12Å
36C94.5Very high88.2Confident2 Ų255.5 Ų55.51%0.01429%0.293CS..Hα-helixtrans-58.5-45.1177.5-57.90000112V16 A19 P32 Q33 A40V16-C36 HydrophobicContact CB-CB 4.35Å; V16-C36 HydrophobicContact CG1-CB 4.42Å; V16-C36 HydrophobicContact CG2-CB 4.05Å; A19-C36 HydrophobicContact CB-CB 3.74Å; P32-C36 PolarHBondContact O-N 3.48Å; P32-C36 VanDerWaalsContact O-N 3.15Å; P32-C36 PolarHBondContact O-SG 3.47Å; Q33-C36 PolarHBondContact O-N 2.94Å; C36-A40 WeakPolarHBondContact O-CB 3.43Å; C36-A40 PolarHBondContact O-N 3.19Å
37L94.4Very high89.8Confident12 Ų1251.7 Ų51.76%0.06325%0.253CS..Hα-helixtrans-69.4-39.5178.6-67.8177000111.8P12 L15 V16 Q33 I35 L39 A40 G41 W210 L211P12-L37 HydrophobicContact CB-CD1 4.26Å; P12-L37 HydrophobicContact CB-CD2 3.78Å; L15-L37 HydrophobicContact CB-CD2 4.24Å; L15-L37 HydrophobicContact CD1-CD2 4.34Å; V16-L37 HydrophobicContact CG2-CD1 4.39Å; V16-L37 HydrophobicContact CG2-CD2 3.77Å; V16-L37 HydrophobicContact CG2-CG 3.77Å; Q33-L37 HydrophobicContact CG-CD1 4.13Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 3.26Å; I35-L37 VanDerWaalsContact C-N 3.33Å; I35-L37 PolarHBondContact O-N 2.9Å; L37-L39 PolarHBondContact O-N 2.77Å; L37-A40 PolarHBondContact O-N 2.65Å; L37-G41 PolarHBondContact O-N 3.1Å; L37-W210 WeakPolarHBondContact O-CZ2 3.45Å; L37-L211 HydrophobicContact CD2-CD1 4.29Å
38H94.1Very high91.1Very high66 Ų6651.4 Ų51.431%0.30625%0.25SC..Hα-helixtrans-58.2-49.5175.3-170.3-88000111.1A34 I35 A40 G41 E42 L218A34-H38 WeakPolarHBondContact O-CB 3.19Å; A34-H38 PolarHBondContact O-N 3.14Å; I35-H38 PolarHBondContact O-N 2.9Å; H38-A40 PolarHBondContact O-N 3.41Å; H38-G41 WeakPolarHBondContact O-CA 3.47Å; H38-G41 PolarHBondContact O-N 2.83Å; H38-G41 VanDerWaalsContact O-N 3.14Å; H38-E42 IonicContact CE1-OE2 3.09Å; H38-E42 PolarHBondContact CE1-OE2 2.84Å; H38-E42 IonicContact ND1-OE2 3.14Å; H38-E42 PolarHBondContact ND1-OE2 3.44Å; H38-E42 VanDerWaalsContact ND1-OE2 3.14Å; H38-E42 PolarHBondContact O-N 3.08Å; H38-L218 PolarHBondContact NE2-N 2.81Å
39L95.4Very high92.6Very high6 Ų639.3 Ų39.33%0.03121%0.206CC..Hα-helixtrans-60-47.9178.2177.863.5000112.1L23 I35 L37 G41 E42 V43 Y56 Y69L23-L39 HydrophobicContact CD1-CD2 3.56Å; I35-L39 WeakPolarHBondContact O-CB 3.2Å; I35-L39 PolarHBondContact O-N 2.69Å; L37-L39 PolarHBondContact O-N 2.77Å; L39-G41 PolarHBondContact O-N 3.3Å; L39-E42 PolarHBondContact O-N 3.09Å; L39-V43 HydrophobicContact CD1-CG2 4.1Å; L39-V43 HydrophobicContact CG-CG2 4.38Å; L39-V43 WeakPolarHBondContact O-CB 3.49Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.49Å; L39-V43 PolarHBondContact O-N 3.14Å; L39-Y56 HydrophobicContact CD1-CD2 4.09Å; L39-Y56 HydrophobicContact CD1-CE2 4.48Å; L39-Y56 HydrophobicContact CD2-CD2 4.18Å; L39-Y56 HydrophobicContact CD2-CE2 3.76Å; L39-Y69 HydrophobicContact CD2-CD1 4.43Å; L39-Y69 HydrophobicContact CD2-CE1 3.73Å; L39-Y69 HydrophobicContact CG-CE1 4Å
40A95.8Very high93.7Very high0 Ų028.7 Ų28.70%017%0.165CC..Hα-helixtrans-57.8-37.9176.700000111.9L15 C36 L37 H38 L44 Y69 F78 W210L15-A40 HydrophobicContact CB-CB 4.3Å; L15-A40 HydrophobicContact CD1-CB 4.15Å; C36-A40 WeakPolarHBondContact O-CB 3.43Å; C36-A40 PolarHBondContact O-N 3.19Å; L37-A40 PolarHBondContact O-N 2.65Å; H38-A40 PolarHBondContact O-N 3.41Å; A40-L44 WeakPolarHBondContact O-CB 3.14Å; A40-L44 PolarHBondContact O-N 2.99Å; A40-Y69 WeakPolarHBondContact CA-OH 3.06Å; A40-Y69 PolarHBondContact N-OH 3.21Å; A40-F78 HydrophobicContact CB-CE1 4.31Å; A40-F78 HydrophobicContact CB-CZ 4.25Å; A40-F78 WeakPolarHBondContact O-CZ 3.48Å; A40-W210 HydrophobicContact CB-CH2 3.89Å
41G95.5Very high94.3Very high0 Ų025.9 Ų25.90%014%0.144CC..Hα-helixtrans-63.7-46.5175.100000113.7L37 H38 L39 L44 A45 W210L37-G41 PolarHBondContact O-N 3.1Å; H38-G41 WeakPolarHBondContact O-CA 3.47Å; H38-G41 PolarHBondContact O-N 2.83Å; H38-G41 VanDerWaalsContact O-N 3.14Å; L39-G41 PolarHBondContact O-N 3.3Å; G41-L44 PolarHBondContact O-N 2.91Å; G41-A45 PolarHBondContact O-N 3.48Å; G41-W210 VanDerWaalsContact CA-CH2 3.41Å
42E96.1Very high94.8Very high27 Ų2725.5 Ų25.513%0.12614%0.142CC..Hα-helixtrans-66.3-40.4176.5-71.3-164.388.600112.7H38 L39 L44 A45 V46 K51 V54 I217H38-E42 IonicContact CE1-OE2 3.09Å; H38-E42 PolarHBondContact CE1-OE2 2.84Å; H38-E42 IonicContact ND1-OE2 3.14Å; H38-E42 PolarHBondContact ND1-OE2 3.44Å; H38-E42 VanDerWaalsContact ND1-OE2 3.14Å; H38-E42 PolarHBondContact O-N 3.08Å; L39-E42 PolarHBondContact O-N 3.09Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.28Å; E42-A45 WeakPolarHBondContact O-CB 3.48Å; E42-A45 PolarHBondContact O-N 3.33Å; E42-A45 VanDerWaalsContact O-N 3.12Å; E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 3.5Å; E42-K51 IonicContact OE1-NZ 3.1Å; E42-K51 PolarHBondContact OE1-NZ 2.97Å; E42-V54 HydrophobicContact CB-CB 4.28Å; E42-V54 HydrophobicContact CB-CG2 3.87Å; E42-V54 HydrophobicContact CG-CG2 4.39Å; E42-V54 WeakPolarHBondContact OE1-CG2 3.3Å; E42-I217 HydrophobicContact CG-CG2 3.67Å
43V96.8Very high95Very high0 Ų021.8 Ų21.80%012%0.118CC..Hα-helixtrans-61.2-42.8175.41710000110.8L39 A45 V46 A47 V54 Y69 L70 L73 L79 L83 I94L39-V43 HydrophobicContact CD1-CG2 4.1Å; L39-V43 HydrophobicContact CG-CG2 4.38Å; L39-V43 WeakPolarHBondContact O-CB 3.49Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.49Å; L39-V43 PolarHBondContact O-N 3.14Å; V43-A45 VanDerWaalsContact C-N 3.32Å; V43-A45 PolarHBondContact O-N 3Å; V43-V46 PolarHBondContact O-N 3.14Å; V43-A47 PolarHBondContact O-N 3.49Å; V43-V54 HydrophobicContact CG2-CG1 4.37Å; V43-Y69 HydrophobicContact CG2-CE1 4.38Å; V43-L70 HydrophobicContact CG1-CD2 3.65Å; V43-L70 HydrophobicContact CG2-CD2 4.41Å; V43-L73 HydrophobicContact CG1-CD1 4.2Å; V43-L79 HydrophobicContact CG1-CD1 3.92Å; V43-L79 HydrophobicContact CG1-CD2 4.1Å; V43-L83 HydrophobicContact CG1-CD1 3.54Å; V43-I94 HydrophobicContact CG2-CD1 3.71Å; V43-I94 HydrophobicContact CG2-CG2 4.5Å
44L95.9Very high95.3Very high6 Ų618 Ų183%0.03110%0.1CC..Hα-helixtrans-64.6-38174.1-177.563.3000111.7A40 G41 E42 V46 A47 R48 F78 L79 W210 D252 F253A40-L44 WeakPolarHBondContact O-CB 3.14Å; A40-L44 PolarHBondContact O-N 2.99Å; G41-L44 PolarHBondContact O-N 2.91Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.28Å; L44-V46 VanDerWaalsContact C-N 3.29Å; L44-V46 PolarHBondContact O-N 3.4Å; L44-A47 PolarHBondContact O-N 3Å; L44-R48 HydrophobicContact CD1-CG 4.34Å; L44-R48 WeakPolarHBondContact O-CG 3.29Å; L44-R48 PolarHBondContact O-N 3.43Å; L44-F78 HydrophobicContact CB-CE1 4.02Å; L44-F78 HydrophobicContact CB-CZ 3.72Å; L44-F78 HydrophobicContact CD1-CZ 4.43Å; L44-F78 HydrophobicContact CD2-CE2 3.96Å; L44-F78 HydrophobicContact CD2-CZ 3.87Å; L44-F78 HydrophobicContact CG-CZ 4.22Å; L44-L79 HydrophobicContact CD1-CD2 4.49Å; L44-W210 HydrophobicContact CD2-CE3 3.86Å; L44-W210 HydrophobicContact CD2-CZ3 3.9Å; L44-D252 HydrophobicContact CD2-CB 3.85Å; L44-F253 HydrophobicContact CB-CE2 4.44Å; L44-F253 HydrophobicContact CB-CZ 3.9Å; L44-F253 HydrophobicContact CD2-CE2 4.1Å; L44-F253 HydrophobicContact CD2-CZ 3.79Å; L44-F253 HydrophobicContact CG-CE2 3.87Å; L44-F253 HydrophobicContact CG-CZ 3.73Å
45A96.4Very high95.5Very high0 Ų016.4 Ų16.40%08%0.081CC..Hα-helixtrans-63.1-35.4175.800000112.4G41 E42 V43 R48 G49 L50 K51 I208 L219 F253G41-A45 PolarHBondContact O-N 3.48Å; E42-A45 WeakPolarHBondContact O-CB 3.48Å; E42-A45 PolarHBondContact O-N 3.33Å; E42-A45 VanDerWaalsContact O-N 3.12Å; V43-A45 VanDerWaalsContact C-N 3.32Å; V43-A45 PolarHBondContact O-N 3Å; A45-R48 PolarHBondContact O-N 3.38Å; A45-G49 PolarHBondContact O-N 2.94Å; A45-L50 HydrophobicContact CB-CB 4.27Å; A45-L50 HydrophobicContact CB-CD1 4.45Å; A45-L50 WeakPolarHBondContact O-CB 3.43Å; A45-L50 PolarHBondContact O-N 3.21Å; A45-K51 HydrophobicContact CB-CG 4.49Å; A45-I208 HydrophobicContact CB-CD1 4.35Å; A45-L219 HydrophobicContact CB-CD1 3.51Å; A45-F253 HydrophobicContact CB-CE2 4.28Å; A45-F253 HydrophobicContact CB-CZ 4.01Å
46V96.9Very high95.6Very high0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-66.4-46.5171.1173.50000111.2E42 V43 L44 R48 G49 K51 V54 L83E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 3.5Å; V43-V46 PolarHBondContact O-N 3.14Å; L44-V46 VanDerWaalsContact C-N 3.29Å; L44-V46 PolarHBondContact O-N 3.4Å; V46-R48 PolarHBondContact O-N 3.34Å; V46-G49 PolarHBondContact O-N 3.38Å; V46-K51 WeakPolarHBondContact CA-O 3.48Å; V46-K51 HydrophobicContact CG2-CD 4.44Å; V46-K51 HydrophobicContact CG2-CG 3.79Å; V46-V54 HydrophobicContact CG2-CB 4.16Å; V46-V54 HydrophobicContact CG2-CG1 4.08Å; V46-L83 HydrophobicContact CG1-CD2 4.06Å
47A94.9Very high95.4Very high12 Ų1219.7 Ų19.710%0.09910%0.098CC..Hα-helixtrans-60.9-28.9177.600000113.1V43 L44 L79 L83V43-A47 PolarHBondContact O-N 3.49Å; L44-A47 PolarHBondContact O-N 3Å; A47-L79 HydrophobicContact CB-CD2 4.01Å; A47-L83 HydrophobicContact CB-CD1 4.41Å; A47-L83 HydrophobicContact CB-CD2 4.25Å
48R94.2Very high95.1Very high72 Ų7221.6 Ų21.627%0.27211%0.112SC..THydrogen-bonded Turntrans-90.74.2175.6-62.9-51.4-174.1-177.74.6114.8L44 A45 V46 L50 Q250 D252 F253L44-R48 HydrophobicContact CD1-CG 4.34Å; L44-R48 WeakPolarHBondContact O-CG 3.29Å; L44-R48 PolarHBondContact O-N 3.43Å; A45-R48 PolarHBondContact O-N 3.38Å; V46-R48 PolarHBondContact O-N 3.34Å; R48-L50 HydrophobicContact CB-CG 4.31Å; R48-L50 PolarHBondContact O-N 2.87Å; R48-Q250 HydrophobicContact CB-CB 4.36Å; R48-D252 IonicContact CZ-OD2 3.88Å; R48-D252 IonicContact NE-OD2 2.88Å; R48-D252 PolarHBondContact NE-OD2 2.79Å; R48-D252 IonicContact NH2-OD1 2.76Å; R48-D252 IonicContact NH2-OD2 3.24Å; R48-D252 PolarHBondContact NH2-OD2 3.29Å; R48-F253 HydrophobicContact CG-CE2 4.37Å
49G94.7Very high94.7Very high5 Ų520.5 Ų20.55%0.05211%0.108CC..THydrogen-bonded Turntrans67.318.5179.200000114A45 V46 K51 H99 R246A45-G49 PolarHBondContact O-N 2.94Å; V46-G49 PolarHBondContact O-N 3.38Å; G49-K51 VanDerWaalsContact C-N 3.32Å; G49-H99 VanDerWaalsContact CA-CE1 3.44Å; G49-H99 WeakPolarHBondContact CA-CE1 3.47Å; G49-H99 WeakPolarHBondContact CA-ND1 3.47Å; G49-R246 VanDerWaalsContact O-CD 3.23Å; G49-R246 WeakPolarHBondContact O-CD 3.33Å; G49-R246 PolarHBondContact O-NE 3.15Å; G49-R246 VanDerWaalsContact O-NE 3.14Å
50L96.1Very high94.2Very high0 Ų026.2 Ų26.20%015%0.148CC..SBendtrans-72.5-31.6174.5-63.1-176.1000111.4A45 R48 I208 L219 Y220 R246 F247 Q250 F253A45-L50 HydrophobicContact CB-CB 4.27Å; A45-L50 HydrophobicContact CB-CD1 4.45Å; A45-L50 WeakPolarHBondContact O-CB 3.43Å; A45-L50 PolarHBondContact O-N 3.21Å; R48-L50 HydrophobicContact CB-CG 4.31Å; R48-L50 PolarHBondContact O-N 2.87Å; L50-I208 HydrophobicContact CD1-CD1 3.93Å; L50-L219 HydrophobicContact CB-CD1 4.17Å; L50-L219 HydrophobicContact CB-CD2 4.2Å; L50-Y220 PolarHBondContact O-OH 3.38Å; L50-R246 HydrophobicContact CD2-CB 4.21Å; L50-F247 HydrophobicContact CD1-CD2 4.32Å; L50-F247 HydrophobicContact CD2-CB 4.27Å; L50-F247 HydrophobicContact CD2-CD2 4.46Å; L50-Q250 HydrophobicContact CD1-CG 4.24Å; L50-Q250 HydrophobicContact CD2-CG 3.98Å; L50-Q250 HydrophobicContact CG-CG 4.4Å; L50-F253 HydrophobicContact CD1-CD2 3.52Å; L50-F253 HydrophobicContact CD1-CE2 3.9Å; L50-F253 HydrophobicContact CD1-CG 4.13Å
51K94.8Very high93.9Very high13 Ų1326.8 Ų26.86%0.05715%0.152CC..SBendtrans-138.7148.3167.764.6-170-80.4175.10111E42 A45 V46 G49 A53 L219 Y220E42-K51 IonicContact OE1-NZ 3.1Å; E42-K51 PolarHBondContact OE1-NZ 2.97Å; A45-K51 HydrophobicContact CB-CG 4.49Å; V46-K51 WeakPolarHBondContact CA-O 3.48Å; V46-K51 HydrophobicContact CG2-CD 4.44Å; V46-K51 HydrophobicContact CG2-CG 3.79Å; G49-K51 VanDerWaalsContact C-N 3.32Å; K51-A53 WeakPolarHBondContact CE-O 3.29Å; K51-L219 HydrophobicContact CB-CD1 4.3Å; K51-L219 HydrophobicContact CD-CD1 3.57Å; K51-L219 HydrophobicContact CD-CG 4.37Å; K51-L219 HydrophobicContact CG-CD1 3.99Å; K51-L219 PolarHBondContact NZ-O 3.47Å; K51-Y220 WeakPolarHBondContact CA-OH 3.46Å; K51-Y220 HydrophobicContact CB-CE1 4.16Å; K51-Y220 HydrophobicContact CB-CE2 4.16Å; K51-Y220 VanDerWaalsContact CB-OH 3.28Å; K51-Y220 WeakPolarHBondContact CB-OH 3.11Å
52P95.7Very high93.6Very high8 Ų828.1 Ų28.15%0.05217%0.166CC..SBendtrans-68.1-38.8-17719.2-27.2000113.4S96 V100 H103 L177P52-S96 PolarHBondContact O-N 3.29Å; P52-V100 HydrophobicContact CB-CG2 3.86Å; P52-V100 VanDerWaalsContact O-CG2 3.22Å; P52-V100 WeakPolarHBondContact O-CG2 3.45Å; P52-H103 HydrophobicContact CB-CB 4.28Å; P52-L177 VanDerWaalsContact CG-O 3.26Å; P52-L177 WeakPolarHBondContact CG-O 3.41Å
53A97.4Very high93.4Very high0 Ų027.1 Ų27.10%016%0.162CC..EExtended strand (participates in β ladder)trans-147.6161.4-178.400000112.3K51 L93 I94 V95 L177K51-A53 WeakPolarHBondContact CE-O 3.29Å; A53-L93 HydrophobicContact CB-CB 4.5Å; A53-L93 HydrophobicContact CB-CD2 3.99Å; A53-I94 CarbonylContact C-O 3.56Å; A53-I94 VanDerWaalsContact CA-O 3.3Å; A53-I94 WeakPolarHBondContact CA-O 3.27Å; A53-V95 HydrophobicContact CB-CB 4.42Å; A53-V95 HydrophobicContact CB-CG1 3.68Å; A53-L177 WeakPolarHBondContact CB-O 3.19Å; A53-L177 PolarHBondContact N-O 3.43Å
54V97.1Very high93.2Very high3 Ų331 Ų312%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-122.4134.416260.90000109.6E42 V43 V46 L93 I94E42-V54 HydrophobicContact CB-CB 4.28Å; E42-V54 HydrophobicContact CB-CG2 3.87Å; E42-V54 HydrophobicContact CG-CG2 4.39Å; E42-V54 WeakPolarHBondContact OE1-CG2 3.3Å; V43-V54 HydrophobicContact CG2-CG1 4.37Å; V46-V54 HydrophobicContact CG2-CB 4.16Å; V46-V54 HydrophobicContact CG2-CG1 4.08Å; V54-L93 CarbonylContact O-C 3.59Å; V54-L93 VanDerWaalsContact O-CA 3.31Å; V54-L93 WeakPolarHBondContact O-CA 3.44Å; V54-I94 HydrophobicContact CG1-CB 3.77Å; V54-I94 HydrophobicContact CG1-CD1 4.29Å; V54-I94 HydrophobicContact CG1-CG1 4.44Å; V54-I94 PolarHBondContact N-O 2.88Å; V54-I94 PolarHBondContact O-N 2.81Å
55L96.3Very high93.1Very high43 Ų4334.4 Ų34.423%0.22521%0.205CC..EExtended strand (participates in β ladder)trans-79.5128.9171.7176.465.2000108.7N91 L93 F174 L178L55-N91 HydrophobicContact CD1-CB 3.95Å; L55-L93 HydrophobicContact CD1-CG 4.22Å; L55-F174 HydrophobicContact CD1-CE2 4.47Å; L55-L178 HydrophobicContact CB-CD2 4.11Å
56Y95.3Very high93.1Very high13 Ų1334.4 Ų34.45%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-89.9110174.7-177.5-97.8000110.9L23 L39 C58 N59 A61 L66 S92L23-Y56 HydrophobicContact CD1-CE2 4.08Å; L39-Y56 HydrophobicContact CD1-CD2 4.09Å; L39-Y56 HydrophobicContact CD1-CE2 4.48Å; L39-Y56 HydrophobicContact CD2-CD2 4.18Å; L39-Y56 HydrophobicContact CD2-CE2 3.76Å; Y56-C58 HydrophobicContact CE2-CB 3.9Å; Y56-N59 VanDerWaalsContact CE1-O 3.29Å; Y56-N59 WeakPolarHBondContact CE1-O 3.46Å; Y56-N59 PolarHBondContact OH-ND2 2.98Å; Y56-N59 PolarHBondContact OH-OD1 3.3Å; Y56-A61 HydrophobicContact CE1-CB 3.71Å; Y56-L66 HydrophobicContact CD1-CD1 4.02Å; Y56-L66 HydrophobicContact CD1-CD2 3.9Å; Y56-L66 HydrophobicContact CD1-CG 4.38Å; Y56-L66 HydrophobicContact CD2-CD2 3.55Å; Y56-L66 HydrophobicContact CE1-CD2 4.05Å; Y56-L66 HydrophobicContact CE2-CD2 3.69Å; Y56-L66 HydrophobicContact CG-CD1 4.07Å; Y56-L66 HydrophobicContact CG-CD2 3.64Å; Y56-L66 HydrophobicContact CG-CG 4.44Å; Y56-S92 WeakPolarHBondContact CB-O 3.46Å; Y56-S92 PolarHBondContact N-O 2.97Å
57D90.7Very high93Very high127 Ų12736.5 Ų36.568%0.67922%0.215SC*.  trans-127.85.7-17766.1-8.7000113.3N59D57-N59 PolarHBondContact O-N 3.18Å
58C87.2Confident93.1Very high52 Ų5238.5 Ų38.535%0.35123%0.228SC..SBendtrans-67.1-35.4-171.4-68.80000113.3I35 Y56I35-C58 HydrophobicContact CG2-CB 4.12Å; Y56-C58 HydrophobicContact CE2-CB 3.9Å
59N86.4Confident93.2Very high43 Ų4335.1 Ų35.123%0.2322%0.215CC..SBendtrans-166.1179.5178.668.151.1000110.5L23 K27 Y56 D57 A61L23-N59 PolarHBondContact O-ND2 2.97Å; K27-N59 PolarHBondContact NZ-OD1 3.17Å; Y56-N59 VanDerWaalsContact CE1-O 3.29Å; Y56-N59 WeakPolarHBondContact CE1-O 3.46Å; Y56-N59 PolarHBondContact OH-ND2 2.98Å; Y56-N59 PolarHBondContact OH-OD1 3.3Å; D57-N59 PolarHBondContact O-N 3.18Å; N59-A61 PolarHBondContact O-N 2.84Å; N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 2.95Å
60C85.2Confident93.3Very high127 Ų12734.9 Ų34.986%0.85821%0.213SC*.SBendtrans-76.334.9179.9-42.60000115.6
61A88.8Confident93.2Very high12 Ų1238.9 Ų38.910%0.09923%0.232CC..  trans-75137175.200000110L23 Y56 N59 E65L23-A61 HydrophobicContact CD2-CB 4.11Å; Y56-A61 HydrophobicContact CE1-CB 3.71Å; N59-A61 PolarHBondContact O-N 2.84Å; N59-A61 WeakPolarHBondContact OD1-CB 3.38Å; N59-A61 PolarHBondContact OD1-N 2.95Å; A61-E65 HydrophobicContact CB-CB 3.96Å
62G89.4Confident93.3Very high27 Ų2742 Ų4228%0.27825%0.246SC..  trans-89.5-17717900000112.6S64 E65 L66G62-S64 VanDerWaalsContact C-N 3.25Å; G62-S64 PolarHBondContact O-N 3.31Å; G62-E65 VanDerWaalsContact CA-OE2 3.31Å; G62-E65 WeakPolarHBondContact CA-OE2 3.48Å; G62-E65 PolarHBondContact N-OE2 3.28Å; G62-E65 PolarHBondContact O-N 3.34Å; G62-L66 WeakPolarHBondContact O-CG 3.31Å; G62-L66 PolarHBondContact O-N 2.95Å
63A92.3Very high93.2Very high7 Ų741.6 Ų41.66%0.05824%0.244CC..Hα-helixtrans-58.2-35.117900000113.3L66 Q67 I85 E87 H160A63-L66 PolarHBondContact O-N 3.06Å; A63-Q67 VanDerWaalsContact O-CB 3.26Å; A63-Q67 WeakPolarHBondContact O-CB 3.25Å; A63-Q67 PolarHBondContact O-N 3.32Å; A63-I85 HydrophobicContact CB-CG2 4.08Å; A63-E87 HydrophobicContact CB-CG 4Å; A63-E87 WeakPolarHBondContact CB-OE1 3.35Å; A63-H160 HydrophobicContact CB-CB 4.29Å
64S92.4Very high93.1Very high80 Ų8043.8 Ų43.856%0.55925%0.254SS*.Hα-helixtrans-67.3-45.2179.1-57.60000112.4G62 L66 Q67 S68G62-S64 VanDerWaalsContact C-N 3.25Å; G62-S64 PolarHBondContact O-N 3.31Å; S64-L66 VanDerWaalsContact C-N 3.35Å; S64-Q67 PolarHBondContact O-N 2.91Å; S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 PolarHBondContact O-OG 3.49Å
65E94.1Very high92.8Very high79 Ų7947 Ų4737%0.36929%0.288SS..Hα-helixtrans-66.1-38.8176.4-66.486.4172.300111.8L23 A61 G62 Q67 S68 Y69L23-E65 HydrophobicContact CD2-CB 4.33Å; A61-E65 HydrophobicContact CB-CB 3.96Å; G62-E65 VanDerWaalsContact CA-OE2 3.31Å; G62-E65 WeakPolarHBondContact CA-OE2 3.48Å; G62-E65 PolarHBondContact N-OE2 3.28Å; G62-E65 PolarHBondContact O-N 3.34Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-S68 PolarHBondContact O-N 3Å; E65-Y69 WeakPolarHBondContact O-CB 3.48Å; E65-Y69 PolarHBondContact O-N 3.26Å
66L95.6Very high92.7Very high0 Ų048 Ų480%029%0.293CS..Hα-helixtrans-63.7-39.4173.7-71172.8000111.6L23 Y56 G62 A63 S64 Y69 L70 I85 S92 I94L23-L66 HydrophobicContact CD2-CD2 3.85Å; L23-L66 HydrophobicContact CD2-CG 4.49Å; Y56-L66 HydrophobicContact CD1-CD1 4.02Å; Y56-L66 HydrophobicContact CD1-CD2 3.9Å; Y56-L66 HydrophobicContact CD1-CG 4.38Å; Y56-L66 HydrophobicContact CD2-CD2 3.55Å; Y56-L66 HydrophobicContact CE1-CD2 4.05Å; Y56-L66 HydrophobicContact CE2-CD2 3.69Å; Y56-L66 HydrophobicContact CG-CD1 4.07Å; Y56-L66 HydrophobicContact CG-CD2 3.64Å; Y56-L66 HydrophobicContact CG-CG 4.44Å; G62-L66 WeakPolarHBondContact O-CG 3.31Å; G62-L66 PolarHBondContact O-N 2.95Å; A63-L66 PolarHBondContact O-N 3.06Å; S64-L66 VanDerWaalsContact C-N 3.35Å; L66-Y69 WeakPolarHBondContact O-CB 3.19Å; L66-Y69 PolarHBondContact O-N 3.45Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.01Å; L66-I85 HydrophobicContact CB-CD1 3.69Å; L66-I85 HydrophobicContact CB-CG1 4.27Å; L66-I85 HydrophobicContact CD1-CG2 4.29Å; L66-S92 VanDerWaalsContact CD1-CB 3.44Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å
67Q95.5Very high92.5Very high43 Ų4350.2 Ų50.220%0.20132%0.32CS..Hα-helixtrans-62.8-49.7176.8177.9171.2-9.300110.3A63 S64 E65 Y69 L70 E71 I85 V158 H160A63-Q67 VanDerWaalsContact O-CB 3.26Å; A63-Q67 WeakPolarHBondContact O-CB 3.25Å; A63-Q67 PolarHBondContact O-N 3.32Å; S64-Q67 PolarHBondContact O-N 2.91Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; Q67-Y69 VanDerWaalsContact C-N 3.26Å; Q67-Y69 PolarHBondContact O-N 3.37Å; Q67-L70 PolarHBondContact O-N 3.38Å; Q67-L70 VanDerWaalsContact O-N 3.17Å; Q67-E71 HydrophobicContact CG-CG 4.36Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.8Å; Q67-E71 WeakPolarHBondContact O-CB 3.49Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 2.81Å; Q67-I85 VanDerWaalsContact CA-CD1 3.45Å; Q67-I85 HydrophobicContact CB-CD1 3.75Å; Q67-V158 HydrophobicContact CB-CG1 4.44Å; Q67-V158 HydrophobicContact CG-CB 4.46Å; Q67-V158 HydrophobicContact CG-CG1 3.92Å; Q67-H160 PolarHBondContact OE1-ND1 3.28Å
68S95.3Very high92.5Very high55 Ų5545.3 Ų45.339%0.38529%0.292SS..Hα-helixtrans-58.8-38175.7-60.90000112.5S64 E65 E72S64-S68 PolarHBondContact O-N 3.44Å; S64-S68 PolarHBondContact O-OG 3.49Å; E65-S68 PolarHBondContact O-N 3Å; S68-E72 WeakPolarHBondContact O-CB 3.41Å; S68-E72 PolarHBondContact O-N 3.04Å
69Y96.4Very high92.6Very high0 Ų043.3 Ų43.30%028%0.278CS..Hα-helixtrans-61.7-48.1175171.8-120000112.4A18 A19 T22 L23 L39 A40 V43 E65 L66 Q67 E72 L73A18-Y69 HydrophobicContact CB-CE2 4.47Å; A19-Y69 HydrophobicContact CB-CD2 4.22Å; A19-Y69 HydrophobicContact CB-CE2 3.71Å; T22-Y69 WeakPolarHBondContact OG1-CA 3.05Å; T22-Y69 WeakPolarHBondContact OG1-CB 3.47Å; L23-Y69 HydrophobicContact CD1-CD1 4.08Å; L23-Y69 HydrophobicContact CD1-CD2 4.18Å; L23-Y69 HydrophobicContact CD1-CE1 4.38Å; L23-Y69 HydrophobicContact CD1-CE2 4.49Å; L23-Y69 HydrophobicContact CD1-CG 3.96Å; L23-Y69 HydrophobicContact CD2-CG 4.25Å; L23-Y69 HydrophobicContact CG-CD2 4.42Å; L23-Y69 HydrophobicContact CG-CG 4.13Å; L39-Y69 HydrophobicContact CD2-CD1 4.43Å; L39-Y69 HydrophobicContact CD2-CE1 3.73Å; L39-Y69 HydrophobicContact CG-CE1 4Å; A40-Y69 WeakPolarHBondContact CA-OH 3.06Å; A40-Y69 PolarHBondContact N-OH 3.21Å; V43-Y69 HydrophobicContact CG2-CE1 4.38Å; E65-Y69 WeakPolarHBondContact O-CB 3.48Å; E65-Y69 PolarHBondContact O-N 3.26Å; L66-Y69 WeakPolarHBondContact O-CB 3.19Å; L66-Y69 PolarHBondContact O-N 3.45Å; Q67-Y69 VanDerWaalsContact C-N 3.26Å; Q67-Y69 PolarHBondContact O-N 3.37Å; Y69-E72 PolarHBondContact O-N 3.1Å; Y69-L73 HydrophobicContact CD1-CD1 4.42Å; Y69-L73 HydrophobicContact CD2-CG 4.33Å; Y69-L73 HydrophobicContact CE1-CD1 3.79Å; Y69-L73 HydrophobicContact CE2-CD1 3.93Å; Y69-L73 HydrophobicContact CE2-CD2 4.07Å; Y69-L73 HydrophobicContact CE2-CG 3.9Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 3.32Å
70L96.7Very high92.4Very high0 Ų045.4 Ų45.40%029%0.292CS..Hα-helixtrans-67.2-37.5179.9-67.4179.1000112V43 L66 Q67 L73 Q74 L79 L83 I85 I94 V158V43-L70 HydrophobicContact CG1-CD2 3.65Å; V43-L70 HydrophobicContact CG2-CD2 4.41Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.01Å; Q67-L70 PolarHBondContact O-N 3.38Å; Q67-L70 VanDerWaalsContact O-N 3.17Å; L70-L73 HydrophobicContact CD2-CD1 4.45Å; L70-L73 PolarHBondContact O-N 3.13Å; L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 3.34Å; L70-L79 HydrophobicContact CD2-CD1 4.08Å; L70-L83 HydrophobicContact CD1-CB 4.2Å; L70-L83 HydrophobicContact CD2-CD1 4.32Å; L70-I85 HydrophobicContact CD1-CD1 3.95Å; L70-I85 HydrophobicContact CD1-CG1 3.8Å; L70-I94 HydrophobicContact CD1-CG1 4.44Å; L70-I94 HydrophobicContact CD1-CG2 3.96Å; L70-I94 HydrophobicContact CD2-CD1 4.34Å; L70-I94 HydrophobicContact CD2-CG2 4.24Å; L70-V158 HydrophobicContact CB-CB 4.44Å; L70-V158 HydrophobicContact CB-CG1 3.81Å; L70-V158 HydrophobicContact CB-CG2 3.72Å; L70-V158 HydrophobicContact CD1-CG1 3.87Å; L70-V158 HydrophobicContact CG-CG1 4.49Å
71E95.3Very high92.2Very high84 Ų8444.8 Ų44.839%0.39328%0.276SS..Hα-helixtrans-63.8-41.6174-72.5171.2176.300111.4Q67 Q74 G75 V158Q67-E71 HydrophobicContact CG-CG 4.36Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.49Å; Q67-E71 PolarHBondContact NE2-OE1 2.8Å; Q67-E71 WeakPolarHBondContact O-CB 3.49Å; Q67-E71 WeakPolarHBondContact O-CG 3.41Å; Q67-E71 PolarHBondContact O-N 2.81Å; E71-Q74 WeakPolarHBondContact O-CB 3.44Å; E71-Q74 PolarHBondContact O-N 2.86Å; E71-G75 PolarHBondContact O-N 3.41Å; E71-V158 HydrophobicContact CG-CB 3.99Å; E71-V158 HydrophobicContact CG-CG2 3.94Å
72E95.6Very high92Very high79 Ų7945 Ų4537%0.36928%0.279SS..Hα-helixtrans-62.9-43174.5-174.463.6-158.800111A18 S68 Y69 Q74 G75 L76A18-E72 HydrophobicContact CB-CB 4.22Å; A18-E72 HydrophobicContact CB-CG 3.47Å; A18-E72 VanDerWaalsContact CB-CG 3.47Å; S68-E72 WeakPolarHBondContact O-CB 3.41Å; S68-E72 PolarHBondContact O-N 3.04Å; Y69-E72 PolarHBondContact O-N 3.1Å; E72-Q74 VanDerWaalsContact C-N 3.31Å; E72-Q74 PolarHBondContact O-N 2.95Å; E72-G75 PolarHBondContact O-N 2.61Å; E72-L76 VanDerWaalsContact O-CG 3.3Å; E72-L76 WeakPolarHBondContact O-CG 3.37Å; E72-L76 PolarHBondContact O-N 2.75Å
73L95.4Very high92.2Very high0 Ų043.8 Ų43.80%027%0.266CS..Hα-helixtrans-61.3-38.1173.9-70.9-174.3000112.6L15 A18 V43 Y69 L70 L76 F78 L79L15-L73 HydrophobicContact CD2-CD2 3.66Å; A18-L73 HydrophobicContact CB-CD2 4.36Å; V43-L73 HydrophobicContact CG1-CD1 4.2Å; Y69-L73 HydrophobicContact CD1-CD1 4.42Å; Y69-L73 HydrophobicContact CD2-CG 4.33Å; Y69-L73 HydrophobicContact CE1-CD1 3.79Å; Y69-L73 HydrophobicContact CE2-CD1 3.93Å; Y69-L73 HydrophobicContact CE2-CD2 4.07Å; Y69-L73 HydrophobicContact CE2-CG 3.9Å; Y69-L73 WeakPolarHBondContact O-CG 3.46Å; Y69-L73 PolarHBondContact O-N 3.32Å; L70-L73 HydrophobicContact CD2-CD1 4.45Å; L70-L73 PolarHBondContact O-N 3.13Å; L73-L76 PolarHBondContact O-N 2.86Å; L73-F78 HydrophobicContact CB-CD1 4.15Å; L73-F78 HydrophobicContact CD1-CD1 4Å; L73-F78 HydrophobicContact CD1-CE1 4.19Å; L73-F78 HydrophobicContact CD2-CD1 3.92Å; L73-F78 HydrophobicContact CD2-CE1 4.48Å; L73-F78 HydrophobicContact CG-CD1 4.26Å; L73-F78 WeakPolarHBondContact O-CB 3.33Å; L73-F78 PolarHBondContact O-N 2.97Å; L73-L79 HydrophobicContact CB-CD1 3.79Å; L73-L79 HydrophobicContact CB-CG 4.02Å; L73-L79 HydrophobicContact CD1-CD1 4.04Å; L73-L79 PolarHBondContact O-N 3.48Å
74Q93.5Very high92.4Very high46 Ų4643.5 Ų43.522%0.21526%0.263CS..Hα-helixtrans-65.8-43172.6-75.9-174.7-19.300111.9L70 E71 E72 L76 G77 L79 F81 S156 V158L70-Q74 WeakPolarHBondContact O-CG 3.47Å; L70-Q74 PolarHBondContact O-N 3.34Å; E71-Q74 WeakPolarHBondContact O-CB 3.44Å; E71-Q74 PolarHBondContact O-N 2.86Å; E72-Q74 VanDerWaalsContact C-N 3.31Å; E72-Q74 PolarHBondContact O-N 2.95Å; Q74-L76 PolarHBondContact O-N 2.95Å; Q74-G77 WeakPolarHBondContact O-CA 3.35Å; Q74-G77 PolarHBondContact O-N 3.46Å; Q74-L79 HydrophobicContact CG-CB 3.81Å; Q74-F81 PolarHBondContact NE2-O 2.87Å; Q74-S156 PolarHBondContact NE2-O 3.48Å; Q74-S156 PolarHBondContact OE1-O 3.12Å; Q74-V158 HydrophobicContact CG-CG2 4.44Å
75G92.6Very high92.6Very high70 Ų7039.7 Ų39.772%0.72224%0.237SC*.Hα-helixtrans-60.3-31.2176.100000113.1E71 E72 G77E71-G75 PolarHBondContact O-N 3.41Å; E72-G75 PolarHBondContact O-N 2.61Å; G75-G77 PolarHBondContact O-N 2.99Å
76L93Very high92.7Very high64 Ų6435.9 Ų35.934%0.33522%0.219SC..THydrogen-bonded Turntrans-76.1-3.8172.3-66.7175.6000114L14 A18 E72 L73 Q74 F78L14-L76 HydrophobicContact CB-CD1 4.02Å; L14-L76 HydrophobicContact CB-CD2 4.23Å; L14-L76 HydrophobicContact CD1-CD2 4.11Å; A18-L76 HydrophobicContact CB-CD1 4.18Å; E72-L76 VanDerWaalsContact O-CG 3.3Å; E72-L76 WeakPolarHBondContact O-CG 3.37Å; E72-L76 PolarHBondContact O-N 2.75Å; L73-L76 PolarHBondContact O-N 2.86Å; Q74-L76 PolarHBondContact O-N 2.95Å; L76-F78 PolarHBondContact O-N 3.26Å
77G90.7Very high92.7Very high59 Ų5937.2 Ų37.261%0.60823%0.225SC*.THydrogen-bonded Turntrans69.114.2-173.700000113.6Q74 G75Q74-G77 WeakPolarHBondContact O-CA 3.35Å; Q74-G77 PolarHBondContact O-N 3.46Å; G75-G77 PolarHBondContact O-N 2.99Å
78F91.3Very high92.7Very high25 Ų2535.2 Ų35.211%0.1122%0.216CC..SBendtrans-77.8-31.2-179.4178.7-103.5000111.9P10 L15 A40 L44 L73 L76 W210P10-F78 HydrophobicContact CB-CD2 4.03Å; P10-F78 HydrophobicContact CB-CE2 4.04Å; P10-F78 HydrophobicContact CG-CD2 4.29Å; P10-F78 HydrophobicContact CG-CE2 4.11Å; L15-F78 HydrophobicContact CD1-CD2 4.32Å; L15-F78 HydrophobicContact CD1-CE2 3.9Å; L15-F78 HydrophobicContact CD1-CZ 4.25Å; L15-F78 HydrophobicContact CD2-CB 4.18Å; L15-F78 HydrophobicContact CD2-CD1 4.06Å; L15-F78 HydrophobicContact CD2-CD2 3.71Å; L15-F78 HydrophobicContact CD2-CE1 4.37Å; L15-F78 HydrophobicContact CD2-CE2 4.03Å; L15-F78 HydrophobicContact CD2-CG 3.71Å; L15-F78 HydrophobicContact CD2-CZ 4.34Å; A40-F78 HydrophobicContact CB-CE1 4.31Å; A40-F78 HydrophobicContact CB-CZ 4.25Å; A40-F78 WeakPolarHBondContact O-CZ 3.48Å; L44-F78 HydrophobicContact CB-CE1 4.02Å; L44-F78 HydrophobicContact CB-CZ 3.72Å; L44-F78 HydrophobicContact CD1-CZ 4.43Å; L44-F78 HydrophobicContact CD2-CE2 3.96Å; L44-F78 HydrophobicContact CD2-CZ 3.87Å; L44-F78 HydrophobicContact CG-CZ 4.22Å; L73-F78 HydrophobicContact CB-CD1 4.15Å; L73-F78 HydrophobicContact CD1-CD1 4Å; L73-F78 HydrophobicContact CD1-CE1 4.19Å; L73-F78 HydrophobicContact CD2-CD1 3.92Å; L73-F78 HydrophobicContact CD2-CE1 4.48Å; L73-F78 HydrophobicContact CG-CD1 4.26Å; L73-F78 WeakPolarHBondContact O-CB 3.33Å; L73-F78 PolarHBondContact O-N 2.97Å; L76-F78 PolarHBondContact O-N 3.26Å; F78-W210 HydrophobicContact CE2-CH2 4.4Å; F78-W210 AromaticContact CE2-CZ3 3.79Å; F78-W210 HydrophobicContact CE2-CZ3 3.79Å; F78-W210 HydrophobicContact CZ-CH2 4.06Å; F78-W210 AromaticContact CZ-CZ3 3.59Å; F78-W210 HydrophobicContact CZ-CZ3 3.59Å
79L90.3Very high92.4Very high9 Ų933.8 Ų33.85%0.04721%0.21CC..  trans-115.1130.4173.4-58.4176.9000109.7V43 L44 A47 L70 L73 Q74 L83V43-L79 HydrophobicContact CG1-CD1 3.92Å; V43-L79 HydrophobicContact CG1-CD2 4.1Å; L44-L79 HydrophobicContact CD1-CD2 4.49Å; A47-L79 HydrophobicContact CB-CD2 4.01Å; L70-L79 HydrophobicContact CD2-CD1 4.08Å; L73-L79 HydrophobicContact CB-CD1 3.79Å; L73-L79 HydrophobicContact CB-CG 4.02Å; L73-L79 HydrophobicContact CD1-CD1 4.04Å; L73-L79 PolarHBondContact O-N 3.48Å; Q74-L79 HydrophobicContact CG-CB 3.81Å; L79-L83 HydrophobicContact CD1-CD1 4.13Å
80T81.9Confident92.1Very high87 Ų8743.1 Ų43.153%0.53425%0.254SS..  trans-101.8-6.9179.256.50000113.6
81F81.1Confident92Very high115 Ų11545.9 Ų45.950%0.50427%0.268SS..SBendtrans-128.4152.8-177.2-58.6-76.9000110.6Q74 L83Q74-F81 PolarHBondContact NE2-O 2.87Å; F81-L83 PolarHBondContact O-N 3.26Å
82G83.3Confident92Very high16 Ų1642.3 Ų42.317%0.16525%0.252CS..  trans-70.9114.7172.800000110.8P155 A157G82-P155 PolarHBondContact N-O 2.91Å; G82-A157 WeakPolarHBondContact CA-O 3.48Å
83L94.6Very high92.1Very high2 Ų238.5 Ų38.51%0.0124%0.235CC..  trans-87.6157.6165.8-64.6-178.3000109.6V43 V46 A47 L70 L79 F81 I94 V158 S159V43-L83 HydrophobicContact CG1-CD1 3.54Å; V46-L83 HydrophobicContact CG1-CD2 4.06Å; A47-L83 HydrophobicContact CB-CD1 4.41Å; A47-L83 HydrophobicContact CB-CD2 4.25Å; L70-L83 HydrophobicContact CD1-CB 4.2Å; L70-L83 HydrophobicContact CD2-CD1 4.32Å; L79-L83 HydrophobicContact CD1-CD1 4.13Å; F81-L83 PolarHBondContact O-N 3.26Å; L83-I94 HydrophobicContact CB-CG2 4.14Å; L83-I94 HydrophobicContact CD1-CG2 3.8Å; L83-V158 WeakPolarHBondContact O-CA 3.14Å; L83-S159 PolarHBondContact O-N 2.77Å
84H95.5Very high92.2Very high0 Ų038.5 Ų38.50%024%0.235CC..EExtended strand (participates in β ladder)trans-116.7142.7179.8-176.975.8000110.6V95 P97 L149 S159 S161H84-V95 HydrophobicContact CB-CG2 3.76Å; H84-V95 PolarHBondContact N-O 2.78Å; H84-V95 WeakPolarHBondContact O-CG2 3.32Å; H84-V95 PolarHBondContact O-N 3.33Å; H84-P97 HydrophobicContact CB-CG 3.58Å; H84-L149 WeakPolarHBondContact CE1-CD1 3.19Å; H84-L149 WeakPolarHBondContact NE2-CD1 3.37Å; H84-S159 CarbonylContact C-O 3.59Å; H84-S159 WeakPolarHBondContact CA-O 3.26Å; H84-S159 PolarHBondContact ND1-O 2.99Å; H84-S159 PolarHBondContact ND1-OG 3.37Å; H84-S161 PolarHBondContact CE1-N 3.17Å; H84-S161 VanDerWaalsContact CE1-N 3.34Å; H84-S161 PolarHBondContact CE1-OG 2.76Å; H84-S161 VanDerWaalsContact CE1-OG 3.28Å; H84-S161 PolarHBondContact NE2-N 3.22Å; H84-S161 PolarHBondContact NE2-OG 2.71Å
85I97.1Very high92.4Very high0 Ų036.3 Ų36.30%023%0.225CC..EExtended strand (participates in β ladder)trans-101.7111.3174.1-61154.7000107.8A63 L66 Q67 L70 L93 V158 S159 H160 S161A63-I85 HydrophobicContact CB-CG2 4.08Å; L66-I85 HydrophobicContact CB-CD1 3.69Å; L66-I85 HydrophobicContact CB-CG1 4.27Å; L66-I85 HydrophobicContact CD1-CG2 4.29Å; Q67-I85 VanDerWaalsContact CA-CD1 3.45Å; Q67-I85 HydrophobicContact CB-CD1 3.75Å; L70-I85 HydrophobicContact CD1-CD1 3.95Å; L70-I85 HydrophobicContact CD1-CG1 3.8Å; I85-L93 CarbonylContact C-O 3.51Å; I85-L93 WeakPolarHBondContact CA-O 3.38Å; I85-V158 HydrophobicContact CD1-CG1 4.32Å; I85-S159 PolarHBondContact N-O 2.88Å; I85-H160 HydrophobicContact CB-CB 3.83Å; I85-H160 HydrophobicContact CD1-CB 4.48Å; I85-H160 HydrophobicContact CG2-CB 4.37Å; I85-H160 CarbonylContact O-C 3.55Å; I85-H160 WeakPolarHBondContact O-CA 3.34Å; I85-S161 PolarHBondContact O-N 2.87Å
86L96.8Very high92.4Very high0 Ų033.6 Ų33.60%019%0.194CC..EExtended strand (participates in β ladder)trans-101112.4178.6-173.763.2000109.5I88 L93 V95 L163 L177L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 4.32Å; L86-I88 HydrophobicContact CG-CD1 4.2Å; L86-I88 HydrophobicContact CG-CG1 4.03Å; L86-L93 PolarHBondContact N-O 2.91Å; L86-L93 PolarHBondContact O-N 2.84Å; L86-V95 HydrophobicContact CB-CG1 4.26Å; L86-V95 HydrophobicContact CB-CG2 4.48Å; L86-L163 HydrophobicContact CD1-CD1 3.83Å; L86-L163 HydrophobicContact CD1-CG 3.96Å; L86-L163 HydrophobicContact CD2-CD1 4.14Å; L86-L163 HydrophobicContact CG-CD1 4.35Å; L86-L177 HydrophobicContact CD2-CD1 4.46Å
87E96Very high92.4Very high28 Ų2831.3 Ų31.313%0.13118%0.184CC..EExtended strand (participates in β ladder)trans-88.2126.1173.7-62.7-172.3114.300110.5A63 N91 S161 R162 L163A63-E87 HydrophobicContact CB-CG 4Å; A63-E87 WeakPolarHBondContact CB-OE1 3.35Å; E87-N91 WeakPolarHBondContact CA-O 3.08Å; E87-S161 PolarHBondContact N-O 2.91Å; E87-R162 HydrophobicContact CB-CB 4.1Å; E87-R162 HydrophobicContact CB-CG 4.11Å; E87-R162 WeakPolarHBondContact O-CA 3.32Å; E87-R162 IonicContact OE1-CZ 2.75Å; E87-R162 IonicContact OE1-NH2 3.04Å; E87-R162 PolarHBondContact OE1-NH2 2.83Å; E87-R162 IonicContact OE2-CZ 3.08Å; E87-R162 VanDerWaalsContact OE2-CZ 3.24Å; E87-R162 IonicContact OE2-NE 2.75Å; E87-R162 PolarHBondContact OE2-NE 3.11Å; E87-R162 VanDerWaalsContact OE2-NE 3.1Å; E87-R162 IonicContact OE2-NH2 2.61Å; E87-R162 PolarHBondContact OE2-NH2 3.22Å; E87-L163 PolarHBondContact O-N 3.26Å
88I94.4Very high92.4Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-132.7109.3175.8-51.7-177.6000107.9L86 E90 N91 L93 L163 W168 L170 V173 F174 L177L86-I88 HydrophobicContact CD2-CD1 3.92Å; L86-I88 HydrophobicContact CD2-CG1 4.32Å; L86-I88 HydrophobicContact CG-CD1 4.2Å; L86-I88 HydrophobicContact CG-CG1 4.03Å; I88-E90 PolarHBondContact O-N 3.02Å; I88-N91 PolarHBondContact N-O 2.9Å; I88-N91 PolarHBondContact O-N 2.88Å; I88-N91 VanDerWaalsContact O-N 3.17Å; I88-L93 HydrophobicContact CD1-CD1 4.11Å; I88-L93 HydrophobicContact CG1-CD1 4.3Å; I88-L163 HydrophobicContact CD1-CD1 4.46Å; I88-L163 HydrophobicContact CG1-CB 4.44Å; I88-W168 HydrophobicContact CD1-CZ3 4.44Å; I88-W168 HydrophobicContact CG2-CE3 4.04Å; I88-W168 HydrophobicContact CG2-CZ3 4.12Å; I88-L170 HydrophobicContact CG2-CD2 3.6Å; I88-V173 HydrophobicContact CD1-CG1 4.35Å; I88-F174 HydrophobicContact CB-CE1 3.99Å; I88-F174 HydrophobicContact CB-CZ 4.4Å; I88-F174 HydrophobicContact CD1-CE1 4.21Å; I88-F174 HydrophobicContact CG2-CE1 4.16Å; I88-L177 HydrophobicContact CD1-CD1 3.51Å
89G89.9Confident92.5Very high26 Ų2634.8 Ų34.827%0.26818%0.184SC..THydrogen-bonded Turntrans67.2-123.1-172.100000110.6R162 S165G89-R162 PolarHBondContact O-NH1 2.8Å; G89-S165 PolarHBondContact N-OG 2.87Å; G89-S165 VanDerWaalsContact N-OG 3.13Å
90E90Very high92.7Very high196 Ų19634.4 Ų34.492%0.91618%0.182SC*.THydrogen-bonded Turntrans-98.56.2175.6-58.8-171.5165.700113.1I88I88-E90 PolarHBondContact O-N 3.02Å
91N93.6Very high93.4Very high58 Ų5830.5 Ų30.531%0.3116%0.158SC..EExtended strand (participates in β ladder)trans-107.4147.1-174.7-61.7-77.9000111.4L55 E87 I88 F174L55-N91 HydrophobicContact CD1-CB 3.95Å; E87-N91 WeakPolarHBondContact CA-O 3.08Å; I88-N91 PolarHBondContact N-O 2.9Å; I88-N91 PolarHBondContact O-N 2.88Å; I88-N91 VanDerWaalsContact O-N 3.17Å; N91-F174 HydrophobicContact CB-CE2 3.91Å; N91-F174 HydrophobicContact CB-CZ 3.65Å
92S96.1Very high94Very high8 Ų829.4 Ų29.46%0.05616%0.155CC..EExtended strand (participates in β ladder)trans-116.4126.3176.8-66.90000110.3Y56 L66Y56-S92 WeakPolarHBondContact CB-O 3.46Å; Y56-S92 PolarHBondContact N-O 2.97Å; L66-S92 VanDerWaalsContact CD1-CB 3.44Å
93L97.5Very high94.6Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-107.4134.9170.1-64.4100000110.3A53 V54 L55 I85 L86 I88 V95 F174 L177A53-L93 HydrophobicContact CB-CB 4.5Å; A53-L93 HydrophobicContact CB-CD2 3.99Å; V54-L93 CarbonylContact O-C 3.59Å; V54-L93 VanDerWaalsContact O-CA 3.31Å; V54-L93 WeakPolarHBondContact O-CA 3.44Å; L55-L93 HydrophobicContact CD1-CG 4.22Å; I85-L93 CarbonylContact C-O 3.51Å; I85-L93 WeakPolarHBondContact CA-O 3.38Å; L86-L93 PolarHBondContact N-O 2.91Å; L86-L93 PolarHBondContact O-N 2.84Å; I88-L93 HydrophobicContact CD1-CD1 4.11Å; I88-L93 HydrophobicContact CG1-CD1 4.3Å; L93-V95 HydrophobicContact CB-CG1 3.88Å; L93-F174 HydrophobicContact CD1-CD1 4.11Å; L93-F174 HydrophobicContact CD1-CE1 3.8Å; L93-F174 HydrophobicContact CD1-CZ 4.45Å; L93-L177 HydrophobicContact CD1-CD1 4.39Å; L93-L177 HydrophobicContact CD2-CB 3.93Å; L93-L177 HydrophobicContact CD2-CD1 4.19Å
94I97.8Very high94.7Very high0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-92.3118.9167.1-57.7166.4000107V43 A53 V54 L66 L70 L83V43-I94 HydrophobicContact CG2-CD1 3.71Å; V43-I94 HydrophobicContact CG2-CG2 4.5Å; A53-I94 CarbonylContact C-O 3.56Å; A53-I94 VanDerWaalsContact CA-O 3.3Å; A53-I94 WeakPolarHBondContact CA-O 3.27Å; V54-I94 HydrophobicContact CG1-CB 3.77Å; V54-I94 HydrophobicContact CG1-CD1 4.29Å; V54-I94 HydrophobicContact CG1-CG1 4.44Å; V54-I94 PolarHBondContact N-O 2.88Å; V54-I94 PolarHBondContact O-N 2.81Å; L66-I94 HydrophobicContact CD2-CD1 4.41Å; L70-I94 HydrophobicContact CD1-CG1 4.44Å; L70-I94 HydrophobicContact CD1-CG2 3.96Å; L70-I94 HydrophobicContact CD2-CD1 4.34Å; L70-I94 HydrophobicContact CD2-CG2 4.24Å; L83-I94 HydrophobicContact CB-CG2 4.14Å; L83-I94 HydrophobicContact CD1-CG2 3.8Å
95V96.6Very high94.7Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-125152.1-171.7-50.80000111.9A53 H84 L86 L93 V100 L146A53-V95 HydrophobicContact CB-CB 4.42Å; A53-V95 HydrophobicContact CB-CG1 3.68Å; H84-V95 HydrophobicContact CB-CG2 3.76Å; H84-V95 PolarHBondContact N-O 2.78Å; H84-V95 WeakPolarHBondContact O-CG2 3.32Å; H84-V95 PolarHBondContact O-N 3.33Å; L86-V95 HydrophobicContact CB-CG1 4.26Å; L86-V95 HydrophobicContact CB-CG2 4.48Å; L93-V95 HydrophobicContact CB-CG1 3.88Å; V95-V100 HydrophobicContact CB-CG2 3.75Å; V95-V100 HydrophobicContact CG1-CG2 4.19Å; V95-L146 HydrophobicContact CG2-CD2 4.43Å
96S93.1Very high94.6Very high12 Ų1238 Ų388%0.08419%0.191CC..  trans-95.5110.7158.7173.30000107.9P52 E98 H99 V100P52-S96 PolarHBondContact O-N 3.29Å; S96-E98 PolarHBondContact O-N 3.19Å; S96-H99 WeakPolarHBondContact CB-ND1 3.46Å; S96-H99 PolarHBondContact O-N 3.21Å; S96-H99 PolarHBondContact OG-ND1 3.38Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; S96-V100 PolarHBondContact O-N 2.95Å
97P92.6Very high94.5Very high17 Ų1738 Ų3811%0.1119%0.191CC..Hα-helixtrans-54.4-39.3-176.3-29.436.4000113.2H84 C101 Q150H84-P97 HydrophobicContact CB-CG 3.58Å; P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.93Å; P97-C101 PolarHBondContact O-SG 2.87Å; P97-Q150 VanDerWaalsContact C-NE2 3.26Å; P97-Q150 HydrophobicContact CB-CG 3.92Å
98E90.8Very high94.4Very high108 Ų10839.8 Ų39.851%0.50520%0.2SC..Hα-helixtrans-62.7-54.5178.1-178.3-177.5172.700111.6S96 V100 C101 Q102 Q150S96-E98 PolarHBondContact O-N 3.19Å; E98-V100 VanDerWaalsContact C-N 3.35Å; E98-V100 PolarHBondContact O-N 2.95Å; E98-C101 PolarHBondContact O-N 2.91Å; E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 2.94Å; E98-Q102 PolarHBondContact OE1-NE2 3.29Å; E98-Q150 VanDerWaalsContact CA-NE2 3.29Å
99H92.7Very high94.3Very high49 Ų4946 Ų4623%0.22723%0.233CC..Hα-helixtrans-67.9-34.4-177.4-60.1124.6000112.4G49 S96 H103G49-H99 VanDerWaalsContact CA-CE1 3.44Å; G49-H99 WeakPolarHBondContact CA-CE1 3.47Å; G49-H99 WeakPolarHBondContact CA-ND1 3.47Å; S96-H99 WeakPolarHBondContact CB-ND1 3.46Å; S96-H99 PolarHBondContact O-N 3.21Å; S96-H99 PolarHBondContact OG-ND1 3.38Å; H99-H103 VanDerWaalsContact O-CB 3.27Å; H99-H103 WeakPolarHBondContact O-CB 3.4Å; H99-H103 PolarHBondContact O-N 3.5Å
100V95.3Very high94.4Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-65.2-49173.6172.90000110.6P52 V95 S96 E98 Q102 H103 L104 L146 L177P52-V100 HydrophobicContact CB-CG2 3.86Å; P52-V100 VanDerWaalsContact O-CG2 3.22Å; P52-V100 WeakPolarHBondContact O-CG2 3.45Å; V95-V100 HydrophobicContact CB-CG2 3.75Å; V95-V100 HydrophobicContact CG1-CG2 4.19Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; S96-V100 PolarHBondContact O-N 2.95Å; E98-V100 VanDerWaalsContact C-N 3.35Å; E98-V100 PolarHBondContact O-N 2.95Å; V100-Q102 PolarHBondContact O-N 2.96Å; V100-H103 PolarHBondContact O-N 2.77Å; V100-H103 VanDerWaalsContact O-N 3.14Å; V100-L104 HydrophobicContact CG1-CD1 3.59Å; V100-L104 HydrophobicContact CG1-CG 3.94Å; V100-L104 WeakPolarHBondContact O-CB 3.45Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 3.07Å; V100-L146 HydrophobicContact CB-CD1 3.96Å; V100-L146 HydrophobicContact CG1-CD1 3.4Å; V100-L177 HydrophobicContact CG1-CD2 3.92Å
101C95.6Very high94.4Very high6 Ų640.8 Ų40.84%0.04122%0.219CC..Hα-helixtrans-57.3-48.9178-74.50000111.6P97 E98 H103 L104 E105 L146P97-C101 WeakPolarHBondContact O-CB 3.4Å; P97-C101 PolarHBondContact O-N 2.93Å; P97-C101 PolarHBondContact O-SG 2.87Å; E98-C101 PolarHBondContact O-N 2.91Å; C101-H103 VanDerWaalsContact C-N 3.3Å; C101-H103 PolarHBondContact O-N 3.2Å; C101-L104 PolarHBondContact O-N 3.41Å; C101-E105 WeakPolarHBondContact O-CB 3.39Å; C101-E105 VanDerWaalsContact O-CG 3.3Å; C101-E105 WeakPolarHBondContact O-CG 3.39Å; C101-E105 PolarHBondContact O-N 2.94Å; C101-L146 VanDerWaalsContact SG-CB 3.56Å
102Q94.4Very high94.5Very high91 Ų9138.9 Ų38.943%0.42521%0.209SC..Hα-helixtrans-57.3-44.1176-71.51724.300111.6E98 V100 Q106E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 2.94Å; E98-Q102 PolarHBondContact OE1-NE2 3.29Å; V100-Q102 PolarHBondContact O-N 2.96Å; Q102-Q106 WeakPolarHBondContact O-CG 2.84Å; Q102-Q106 PolarHBondContact O-N 2.8Å; Q102-Q106 VanDerWaalsContact O-N 3.14Å
103H96.3Very high94.5Very high33 Ų3338.9 Ų38.915%0.15321%0.21CC..Hα-helixtrans-62.7-47.9177.9177.653.6000112.1P52 H99 V100 C101 E105 Q106 V107 I176P52-H103 HydrophobicContact CB-CB 4.28Å; H99-H103 VanDerWaalsContact O-CB 3.27Å; H99-H103 WeakPolarHBondContact O-CB 3.4Å; H99-H103 PolarHBondContact O-N 3.5Å; V100-H103 PolarHBondContact O-N 2.77Å; V100-H103 VanDerWaalsContact O-N 3.14Å; C101-H103 VanDerWaalsContact C-N 3.3Å; C101-H103 PolarHBondContact O-N 3.2Å; H103-E105 VanDerWaalsContact C-N 3.33Å; H103-E105 PolarHBondContact O-N 3.22Å; H103-Q106 WeakPolarHBondContact O-CB 3.12Å; H103-Q106 PolarHBondContact O-N 2.94Å; H103-Q106 VanDerWaalsContact O-N 3.1Å; H103-V107 WeakPolarHBondContact O-CG2 3.31Å; H103-V107 PolarHBondContact O-N 2.98Å; H103-I176 PolarHBondContact CD2-O 2.88Å; H103-I176 VanDerWaalsContact CD2-O 3.29Å; H103-I176 PolarHBondContact NE2-O 3.33Å
104L96.9Very high94.4Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-64.4-36.8-179.5-67.8178.6000112.1V100 C101 Q106 V107 L108 V139 I142 I143 I176 L177V100-L104 HydrophobicContact CG1-CD1 3.59Å; V100-L104 HydrophobicContact CG1-CG 3.94Å; V100-L104 WeakPolarHBondContact O-CB 3.45Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.47Å; V100-L104 PolarHBondContact O-N 3.07Å; C101-L104 PolarHBondContact O-N 3.41Å; L104-Q106 VanDerWaalsContact C-N 3.33Å; L104-Q106 PolarHBondContact O-N 2.87Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 3.04Å; L104-V107 VanDerWaalsContact O-N 3.16Å; L104-L108 WeakPolarHBondContact O-CG 3.27Å; L104-L108 PolarHBondContact O-N 2.83Å; L104-V139 HydrophobicContact CB-CG1 3.95Å; L104-V139 HydrophobicContact CD2-CG1 4.12Å; L104-I142 HydrophobicContact CD1-CB 3.95Å; L104-I142 HydrophobicContact CD1-CG2 3.49Å; L104-I142 VanDerWaalsContact CD1-CG2 3.49Å; L104-I143 HydrophobicContact CB-CD1 3.69Å; L104-I143 HydrophobicContact CB-CG1 3.51Å; L104-I143 HydrophobicContact CD1-CG1 3.83Å; L104-I143 HydrophobicContact CG-CG1 4.34Å; L104-I176 HydrophobicContact CD2-CG2 3.43Å; L104-I176 VanDerWaalsContact CD2-CG2 3.43Å; L104-L177 HydrophobicContact CD1-CD2 4.37Å; L104-L177 HydrophobicContact CD2-CD2 4.27Å
105E96Very high94.4Very high78 Ų7839 Ų3936%0.36421%0.21SC..Hα-helixtrans-60.6-43.1171.5-73.3169.4-178.300111.2C101 H103 V107 L108 L109 I143 Q147C101-E105 WeakPolarHBondContact O-CB 3.39Å; C101-E105 VanDerWaalsContact O-CG 3.3Å; C101-E105 WeakPolarHBondContact O-CG 3.39Å; C101-E105 PolarHBondContact O-N 2.94Å; H103-E105 VanDerWaalsContact C-N 3.33Å; H103-E105 PolarHBondContact O-N 3.22Å; E105-V107 VanDerWaalsContact C-N 3.3Å; E105-V107 PolarHBondContact O-N 2.89Å; E105-L108 PolarHBondContact O-N 2.81Å; E105-L109 WeakPolarHBondContact O-CG 3.38Å; E105-L109 PolarHBondContact O-N 3.38Å; E105-L109 VanDerWaalsContact O-N 3.16Å; E105-I143 HydrophobicContact CG-CD1 4.13Å; E105-Q147 PolarHBondContact OE1-NE2 3.22Å
106Q94Very high94.3Very high88 Ų8839.7 Ų39.741%0.41121%0.214SC..Hα-helixtrans-64.7-33.6174.1-65-52.7-53.900112.5Q102 H103 L104 L109 G110 T111Q102-Q106 WeakPolarHBondContact O-CG 2.84Å; Q102-Q106 PolarHBondContact O-N 2.8Å; Q102-Q106 VanDerWaalsContact O-N 3.14Å; H103-Q106 WeakPolarHBondContact O-CB 3.12Å; H103-Q106 PolarHBondContact O-N 2.94Å; H103-Q106 VanDerWaalsContact O-N 3.1Å; L104-Q106 VanDerWaalsContact C-N 3.33Å; L104-Q106 PolarHBondContact O-N 2.87Å; Q106-L109 PolarHBondContact O-N 2.89Å; Q106-G110 PolarHBondContact O-N 3.35Å; Q106-T111 HydrophobicContact CB-CG2 4.05Å; Q106-T111 WeakPolarHBondContact CB-OG1 3.43Å; Q106-T111 WeakPolarHBondContact O-CB 3.46Å; Q106-T111 WeakPolarHBondContact O-CG2 3.39Å; Q106-T111 PolarHBondContact O-N 3.37Å; Q106-T111 PolarHBondContact O-OG1 3.13Å
107V94.6Very high94.4Very high0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-63.1-44.2174.41710000110.4H103 L104 E105 L109 G110 I112 F114 L129 I176H103-V107 WeakPolarHBondContact O-CG2 3.31Å; H103-V107 PolarHBondContact O-N 2.98Å; L104-V107 WeakPolarHBondContact O-CB 3.41Å; L104-V107 PolarHBondContact O-N 3.04Å; L104-V107 VanDerWaalsContact O-N 3.16Å; E105-V107 VanDerWaalsContact C-N 3.3Å; E105-V107 PolarHBondContact O-N 2.89Å; V107-L109 PolarHBondContact O-N 2.97Å; V107-G110 PolarHBondContact O-N 2.96Å; V107-I112 HydrophobicContact CB-CD1 4.35Å; V107-I112 HydrophobicContact CB-CG1 4.42Å; V107-I112 HydrophobicContact CG1-CD1 3.82Å; V107-I112 HydrophobicContact CG1-CG1 4.06Å; V107-I112 HydrophobicContact CG2-CD1 3.74Å; V107-I112 HydrophobicContact CG2-CG1 4.03Å; V107-I112 HydrophobicContact CG2-CG2 4.41Å; V107-F114 HydrophobicContact CG1-CZ 4.23Å; V107-L129 WeakPolarHBondContact O-CD2 3.3Å; V107-I176 HydrophobicContact CG1-CG2 4.45Å; V107-I176 HydrophobicContact CG2-CG2 4.08Å
108L94.1Very high94.5Very high65 Ų6538.4 Ų38.434%0.3421%0.205SC..Hα-helixtrans-62.4-27.2175.4-67.5178000113L104 E105 G110 L129 K136 V139 I143L104-L108 WeakPolarHBondContact O-CG 3.27Å; L104-L108 PolarHBondContact O-N 2.83Å; E105-L108 PolarHBondContact O-N 2.81Å; L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 3.17Å; L108-L129 HydrophobicContact CD2-CD2 4.34Å; L108-K136 HydrophobicContact CD2-CB 4.39Å; L108-K136 HydrophobicContact CD2-CG 4.45Å; L108-V139 HydrophobicContact CD1-CG1 4.14Å; L108-V139 HydrophobicContact CD2-CB 3.97Å; L108-V139 HydrophobicContact CD2-CG1 3.67Å; L108-V139 HydrophobicContact CG-CG1 3.67Å; L108-I143 HydrophobicContact CD1-CD1 3.66Å
109L92.6Very high94.5Very high130 Ų13035.6 Ų35.668%0.68120%0.197SC*.THydrogen-bonded Turntrans-80.9-0.2173.3-63.7175.4000113.9E105 Q106 V107E105-L109 WeakPolarHBondContact O-CG 3.38Å; E105-L109 PolarHBondContact O-N 3.38Å; E105-L109 VanDerWaalsContact O-N 3.16Å; Q106-L109 PolarHBondContact O-N 2.89Å; V107-L109 PolarHBondContact O-N 2.97Å
110G90.9Very high94.2Very high50 Ų5036.9 Ų36.952%0.51521%0.211SC..THydrogen-bonded Turntrans78.828.1175.600000114.6Q106 V107 L108 I112Q106-G110 PolarHBondContact O-N 3.35Å; V107-G110 PolarHBondContact O-N 2.96Å; L108-G110 VanDerWaalsContact C-N 3.27Å; L108-G110 PolarHBondContact O-N 3.17Å; G110-I112 VanDerWaalsContact C-N 3.27Å; G110-I112 PolarHBondContact O-N 2.94Å
111T91.3Very high93.8Very high63 Ų6339.7 Ų39.739%0.38722%0.224SC..  trans-75.8-12.8179.258.30000114.3Q106Q106-T111 HydrophobicContact CB-CG2 4.05Å; Q106-T111 WeakPolarHBondContact CB-OG1 3.43Å; Q106-T111 WeakPolarHBondContact O-CB 3.46Å; Q106-T111 WeakPolarHBondContact O-CG2 3.39Å; Q106-T111 PolarHBondContact O-N 3.37Å; Q106-T111 PolarHBondContact O-OG1 3.13Å
112I94.8Very high93.5Very high18 Ų1844.8 Ų44.89%0.09226%0.257CS..SBendtrans-116.4162.8176.566.8162.3000110.8V107 G110 F114 I176 P181 P183V107-I112 HydrophobicContact CB-CD1 4.35Å; V107-I112 HydrophobicContact CB-CG1 4.42Å; V107-I112 HydrophobicContact CG1-CD1 3.82Å; V107-I112 HydrophobicContact CG1-CG1 4.06Å; V107-I112 HydrophobicContact CG2-CD1 3.74Å; V107-I112 HydrophobicContact CG2-CG1 4.03Å; V107-I112 HydrophobicContact CG2-CG2 4.41Å; G110-I112 VanDerWaalsContact C-N 3.27Å; G110-I112 PolarHBondContact O-N 2.94Å; I112-F114 HydrophobicContact CD1-CE1 3.9Å; I112-F114 HydrophobicContact CD1-CE2 4.13Å; I112-F114 HydrophobicContact CD1-CZ 3.53Å; I112-F114 HydrophobicContact CG1-CE2 4.1Å; I112-F114 HydrophobicContact CG1-CZ 4Å; I112-I176 HydrophobicContact CD1-CG1 4.28Å; I112-P181 WeakPolarHBondContact CB-O 3.37Å; I112-P183 HydrophobicContact CD1-CG 3.89Å
113A95.9Very high93.4Very high8 Ų846 Ų467%0.06626%0.263CS..  trans-109.5161.7170.500000110.9V126 P181 V182 P183 L232 I235A113-V126 HydrophobicContact CB-CG1 4.45Å; A113-P181 PolarHBondContact N-O 2.89Å; A113-P181 VanDerWaalsContact N-O 3.17Å; A113-V182 VanDerWaalsContact O-CA 3.31Å; A113-V182 WeakPolarHBondContact O-CA 3.4Å; A113-P183 WeakPolarHBondContact O-CD 3.46Å; A113-L232 HydrophobicContact CB-CD2 3.61Å; A113-I235 HydrophobicContact CB-CD1 3.29Å
114F97Very high93.5Very high2 Ų244.5 Ų44.51%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-119.3148.6172-60.6-87.2000109.5V107 I112 V126 C127 L129 L132 L135 T172 I176 P183 T185V107-F114 HydrophobicContact CG1-CZ 4.23Å; I112-F114 HydrophobicContact CD1-CE1 3.9Å; I112-F114 HydrophobicContact CD1-CE2 4.13Å; I112-F114 HydrophobicContact CD1-CZ 3.53Å; I112-F114 HydrophobicContact CG1-CE2 4.1Å; I112-F114 HydrophobicContact CG1-CZ 4Å; F114-V126 WeakPolarHBondContact O-CA 3.25Å; F114-C127 WeakPolarHBondContact CB-SG 3.33Å; F114-C127 PolarHBondContact N-O 3.43Å; F114-C127 PolarHBondContact O-N 2.9Å; F114-L129 HydrophobicContact CE2-CB 3.99Å; F114-L129 HydrophobicContact CE2-CD1 3.85Å; F114-L129 HydrophobicContact CE2-CG 4.44Å; F114-L129 HydrophobicContact CZ-CD1 3.99Å; F114-L132 HydrophobicContact CB-CD1 3.8Å; F114-L132 HydrophobicContact CD1-CD1 3.77Å; F114-L132 HydrophobicContact CD2-CD1 3.87Å; F114-L132 HydrophobicContact CE1-CD1 4.32Å; F114-L132 HydrophobicContact CE2-CD1 4.41Å; F114-L132 HydrophobicContact CG-CD1 3.51Å; F114-L135 HydrophobicContact CD1-CD2 4.34Å; F114-L135 HydrophobicContact CE1-CD2 3.75Å; F114-L135 HydrophobicContact CZ-CD2 3.86Å; F114-T172 HydrophobicContact CD1-CG2 4.26Å; F114-T172 HydrophobicContact CE1-CG2 4.22Å; F114-I176 HydrophobicContact CE1-CD1 3.87Å; F114-I176 HydrophobicContact CE1-CG1 3.98Å; F114-I176 HydrophobicContact CZ-CD1 4.24Å; F114-I176 HydrophobicContact CZ-CG1 4.46Å; F114-P183 WeakPolarHBondContact CA-O 3.49Å; F114-P183 HydrophobicContact CD1-CB 4.16Å; F114-P183 HydrophobicContact CD1-CG 4.39Å; F114-P183 HydrophobicContact CE1-CB 4.27Å; F114-P183 HydrophobicContact CE1-CG 4.18Å; F114-T185 HydrophobicContact CB-CG2 4.34Å
115V97.1Very high93.4Very high0 Ų046 Ų460%027%0.267CS..EExtended strand (participates in β ladder)trans-119116.7172.5174.30000108.6V117 P124 S125 V182 P183 Y184 T185 P225 L228 L232V115-V117 HydrophobicContact CG1-CG1 3.79Å; V115-V117 PolarHBondContact O-N 2.86Å; V115-P124 HydrophobicContact CG1-CB 3.87Å; V115-S125 CarbonylContact C-O 3.49Å; V115-S125 VanDerWaalsContact CA-O 3.29Å; V115-S125 WeakPolarHBondContact CA-O 3.37Å; V115-V182 HydrophobicContact CB-CG1 4.42Å; V115-V182 HydrophobicContact CG2-CG1 3.48Å; V115-V182 VanDerWaalsContact CG2-CG1 3.48Å; V115-P183 PolarHBondContact N-O 3.11Å; V115-P183 VanDerWaalsContact N-O 3.11Å; V115-Y184 HydrophobicContact CB-CD1 3.95Å; V115-Y184 HydrophobicContact CB-CE1 4.25Å; V115-Y184 HydrophobicContact CG1-CD1 4.38Å; V115-Y184 HydrophobicContact CG1-CE1 4.44Å; V115-Y184 CarbonylContact O-C 3.58Å; V115-Y184 WeakPolarHBondContact O-CA 3.4Å; V115-T185 PolarHBondContact O-N 3.03Å; V115-P225 HydrophobicContact CG1-CG 4Å; V115-L228 HydrophobicContact CG1-CD1 3.76Å; V115-L228 HydrophobicContact CG2-CD1 3.96Å; V115-L232 HydrophobicContact CG2-CD1 4.24Å
116D95.3Very high93.4Very high16 Ų1645.8 Ų45.89%0.08627%0.27CS..EExtended strand (participates in β ladder)trans-74.2121.3171.3-178.29.7000109.3S118 Q121 P124 S125 T185D116-S118 VanDerWaalsContact OD1-CB 3.23Å; D116-S118 WeakPolarHBondContact OD1-CB 3.4Å; D116-S118 PolarHBondContact OD1-N 3.46Å; D116-S118 PolarHBondContact OD1-OG 3.34Å; D116-Q121 PolarHBondContact OD2-NE2 2.72Å; D116-P124 WeakPolarHBondContact O-CA 3.24Å; D116-S125 PolarHBondContact N-O 2.81Å; D116-S125 PolarHBondContact O-N 3.27Å; D116-S125 VanDerWaalsContact O-N 3.1Å; D116-T185 WeakPolarHBondContact CA-O 3.19Å; D116-T185 HydrophobicContact CB-CG2 4.3Å
117V95.4Very high93.4Very high0 Ų042.2 Ų42.20%026%0.255CS..  trans-120.516.4-179.1-57.30000112.3V115 P124 Y184 T185 F186 N194 C195 L196 L270V115-V117 HydrophobicContact CG1-CG1 3.79Å; V115-V117 PolarHBondContact O-N 2.86Å; V117-P124 HydrophobicContact CG1-CB 4.32Å; V117-Y184 HydrophobicContact CG1-CD1 4.27Å; V117-Y184 HydrophobicContact CG1-CD2 4.3Å; V117-Y184 HydrophobicContact CG1-CG 4.07Å; V117-Y184 HydrophobicContact CG2-CG 4.47Å; V117-T185 WeakPolarHBondContact CG2-O 3.24Å; V117-T185 PolarHBondContact N-O 2.93Å; V117-F186 HydrophobicContact CG2-CB 4.28Å; V117-F186 HydrophobicContact CG2-CD1 4.31Å; V117-N194 HydrophobicContact CG2-CB 4.47Å; V117-N194 WeakPolarHBondContact O-CA 3.27Å; V117-N194 VanDerWaalsContact O-CB 3.3Å; V117-N194 WeakPolarHBondContact O-CB 3.28Å; V117-C195 VanDerWaalsContact CA-SG 3.6Å; V117-C195 PolarHBondContact O-N 3.15Å; V117-L196 HydrophobicContact CB-CD1 4.3Å; V117-L196 HydrophobicContact CB-CD2 4.28Å; V117-L196 HydrophobicContact CB-CG 4.11Å; V117-L196 HydrophobicContact CG1-CD1 4.07Å; V117-L196 HydrophobicContact CG1-CD2 3.75Å; V117-L196 HydrophobicContact CG1-CG 4.03Å; V117-L270 HydrophobicContact CG2-CD1 3.55Å
118S92.9Very high93Very high2 Ų244.6 Ų44.61%0.01427%0.272CS..BIsolated β-bridgetrans-51.5142179.7-59.50000112D116 C120 Q121 F186 H187D116-S118 VanDerWaalsContact OD1-CB 3.23Å; D116-S118 WeakPolarHBondContact OD1-CB 3.4Å; D116-S118 PolarHBondContact OD1-N 3.46Å; D116-S118 PolarHBondContact OD1-OG 3.34Å; S118-C120 PolarHBondContact O-N 2.76Å; S118-C120 VanDerWaalsContact O-N 3.15Å; S118-Q121 WeakPolarHBondContact O-CB 3.43Å; S118-Q121 PolarHBondContact O-N 2.75Å; S118-F186 VanDerWaalsContact OG-CA 3.28Å; S118-F186 WeakPolarHBondContact OG-CA 3.29Å; S118-H187 PolarHBondContact OG-CD2 2.81Å; S118-H187 PolarHBondContact OG-N 3.34Å
119S90.8Very high92.7Very high48 Ų4842.2 Ų42.234%0.33626%0.259SS..THydrogen-bonded Turntrans-60.7-24.7-179.858.30000113.7Q121 Q190 D193S119-Q121 PolarHBondContact O-N 3.04Å; S119-Q190 WeakPolarHBondContact OG-CB 3.31Å; S119-Q190 PolarHBondContact OG-O 2.96Å; S119-D193 WeakPolarHBondContact CB-O 3.42Å
120C86.9Confident92.3Very high76 Ų7641.5 Ų41.551%0.51426%0.256SS..THydrogen-bonded Turntrans-72.7-14.2174.771.20000114.1S118 Q190S118-C120 PolarHBondContact O-N 2.76Å; S118-C120 VanDerWaalsContact O-N 3.15Å; C120-Q190 VanDerWaalsContact CB-OE1 3.31Å; C120-Q190 PolarHBondContact SG-OE1 3.1Å
121Q87.1Confident92Very high60 Ų6045.2 Ų45.228%0.2826%0.26SS..  trans-81.6136.2178.9-63.8-72.44.700110.4D116 S118 S119 H123 C195D116-Q121 PolarHBondContact OD2-NE2 2.72Å; S118-Q121 WeakPolarHBondContact O-CB 3.43Å; S118-Q121 PolarHBondContact O-N 2.75Å; S119-Q121 PolarHBondContact O-N 3.04Å; Q121-H123 VanDerWaalsContact C-N 3.26Å; Q121-H123 PolarHBondContact O-N 2.74Å; Q121-C195 HydrophobicContact CB-CB 4.49Å; Q121-C195 VanDerWaalsContact O-CB 3.31Å; Q121-C195 WeakPolarHBondContact O-CB 3.45Å
122P89.3Confident91.7Very high113 Ų11343.6 Ų43.673%0.73425%0.249SC*.SBendtrans-70.6-24.7175.228.8-34.2000112.7
123H93.4Very high90.7Very high115 Ų11550.6 Ų50.653%0.53228%0.281SS..SBendtrans-153.1154.4177.757.870.9000109.3Q121Q121-H123 VanDerWaalsContact C-N 3.26Å; Q121-H123 PolarHBondContact O-N 2.74Å
124P96.4Very high90.2Very high3 Ų356.4 Ų56.42%0.01931%0.311CS..  trans-61.7148.117626.8-35.2000110.6V115 D116 V117 C195 L196 T199 P225 L228V115-P124 HydrophobicContact CG1-CB 3.87Å; D116-P124 WeakPolarHBondContact O-CA 3.24Å; V117-P124 HydrophobicContact CG1-CB 4.32Å; P124-C195 VanDerWaalsContact N-SG 3.45Å; P124-L196 HydrophobicContact CB-CD2 4.12Å; P124-L196 HydrophobicContact CG-CD2 4.22Å; P124-T199 HydrophobicContact CG-CG2 4.23Å; P124-P225 HydrophobicContact CB-CB 4.22Å; P124-P225 HydrophobicContact CB-CG 3.64Å; P124-P225 HydrophobicContact CG-CB 3.6Å; P124-P225 HydrophobicContact CG-CG 3.56Å; P124-L228 HydrophobicContact CB-CD1 4.24Å
125S96.3Very high89.9Confident31 Ų3157.1 Ų57.122%0.21732%0.315CS..EExtended strand (participates in β ladder)trans-140.9148.9-177.269.70000111.8V115 D116V115-S125 CarbonylContact C-O 3.49Å; V115-S125 VanDerWaalsContact CA-O 3.29Å; V115-S125 WeakPolarHBondContact CA-O 3.37Å; D116-S125 PolarHBondContact N-O 2.81Å; D116-S125 PolarHBondContact O-N 3.27Å; D116-S125 VanDerWaalsContact O-N 3.1Å
126V96.1Very high89.6Confident73 Ų7361.1 Ų61.144%0.44233%0.332SS..EExtended strand (participates in β ladder)trans-76.8131.9175.2179.20000108.8A113 F114 L228 L232A113-V126 HydrophobicContact CB-CG1 4.45Å; F114-V126 WeakPolarHBondContact O-CA 3.25Å; V126-L228 HydrophobicContact CG2-CB 4.4Å; V126-L228 HydrophobicContact CG2-CD1 4.04Å; V126-L228 HydrophobicContact CG2-CD2 4.31Å; V126-L228 HydrophobicContact CG2-CG 4.49Å; V126-L232 HydrophobicContact CG2-CD2 4.02Å; V126-L232 HydrophobicContact CG2-CG 4.36Å
127C92.6Very high89.4Confident13 Ų1363.5 Ų63.59%0.08835%0.354CS..EExtended strand (participates in β ladder)trans-123.9152.2173.561.30000111.3F114 Q131F114-C127 WeakPolarHBondContact CB-SG 3.33Å; F114-C127 PolarHBondContact N-O 3.43Å; F114-C127 PolarHBondContact O-N 2.9Å; C127-Q131 VanDerWaalsContact CB-OE1 3.26Å
128S86.4Confident89.3Confident50 Ų5064.3 Ų64.335%0.3536%0.359SS..  trans-90.5158.9176.9740000111.5D130 Q131 L132S128-D130 PolarHBondContact O-N 3.44Å; S128-D130 PolarHBondContact OG-N 3.31Å; S128-Q131 WeakPolarHBondContact O-CB 3.45Å; S128-Q131 PolarHBondContact O-N 3.44Å; S128-L132 PolarHBondContact O-N 3.48Å
129L87.8Confident89.4Confident15 Ų1564.3 Ų64.38%0.07936%0.358CS..THydrogen-bonded Turntrans-59.6-26.2173.7-173.361.3000112.5V107 L108 F114 Q131 L132 L135 K136V107-L129 WeakPolarHBondContact O-CD2 3.3Å; L108-L129 HydrophobicContact CD2-CD2 4.34Å; F114-L129 HydrophobicContact CE2-CB 3.99Å; F114-L129 HydrophobicContact CE2-CD1 3.85Å; F114-L129 HydrophobicContact CE2-CG 4.44Å; F114-L129 HydrophobicContact CZ-CD1 3.99Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 3.33Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L135 HydrophobicContact CD1-CB 4.28Å; L129-L135 HydrophobicContact CD1-CD2 3.72Å; L129-L135 HydrophobicContact CD1-CG 3.94Å; L129-K136 HydrophobicContact CD1-CG 4.02Å; L129-K136 HydrophobicContact CD2-CD 4.49Å; L129-K136 HydrophobicContact CD2-CG 3.9Å; L129-K136 HydrophobicContact CG-CD 4.29Å; L129-K136 HydrophobicContact CG-CG 3.64Å
130D85Confident89.5Confident116 Ų11663.8 Ų63.862%0.6236%0.357SS*.THydrogen-bonded Turntrans-68.6-26.9175.5-61.2-45.2000113S128 K136S128-D130 PolarHBondContact O-N 3.44Å; S128-D130 PolarHBondContact OG-N 3.31Å; D130-K136 WeakPolarHBondContact OD1-CE 3.22Å; D130-K136 IonicContact OD1-NZ 2.86Å; D130-K136 PolarHBondContact OD1-NZ 3.19Å
131Q84.3Confident89.9Confident128 Ų12864.6 Ų64.660%0.59835%0.353SS*.THydrogen-bonded Turntrans-82.2-22.3177.9-66.6170.7-34.400112C127 S128 L129 Q133C127-Q131 VanDerWaalsContact CB-OE1 3.26Å; S128-Q131 WeakPolarHBondContact O-CB 3.45Å; S128-Q131 PolarHBondContact O-N 3.44Å; L129-Q131 VanDerWaalsContact C-N 3.28Å; L129-Q131 PolarHBondContact O-N 3.33Å; Q131-Q133 PolarHBondContact O-N 3.08Å; Q131-Q133 VanDerWaalsContact O-N 3.15Å
132L85.3Confident90.3Very high29 Ų2961.9 Ų61.915%0.15234%0.341CS..SBendtrans-88.279.1177.7-58.6178.3000109.3F114 S128 L129 L135 T185F114-L132 HydrophobicContact CB-CD1 3.8Å; F114-L132 HydrophobicContact CD1-CD1 3.77Å; F114-L132 HydrophobicContact CD2-CD1 3.87Å; F114-L132 HydrophobicContact CE1-CD1 4.32Å; F114-L132 HydrophobicContact CE2-CD1 4.41Å; F114-L132 HydrophobicContact CG-CD1 3.51Å; S128-L132 PolarHBondContact O-N 3.48Å; L129-L132 PolarHBondContact O-N 2.86Å; L132-L135 HydrophobicContact CB-CB 3.85Å; L132-L135 HydrophobicContact CB-CD2 3.95Å; L132-L135 HydrophobicContact CD1-CD2 3.51Å; L132-L135 HydrophobicContact CG-CD2 4.37Å; L132-L135 PolarHBondContact O-N 3.4Å; L132-T185 HydrophobicContact CD1-CG2 4.06Å; L132-T185 HydrophobicContact CD2-CG2 3.77Å
133Q73.5Confident90.6Very high164 Ų16457 Ų5777%0.76631%0.309SS*.THydrogen-bonded Turntrans-55.5146.1173.1-57.1-140-11.300109.4Q131 L135Q131-Q133 PolarHBondContact O-N 3.08Å; Q131-Q133 VanDerWaalsContact O-N 3.15Å; Q133-L135 PolarHBondContact O-N 3.27Å
134D86.1Confident90.7Very high131 Ų13155.8 Ų55.870%0.70131%0.309SS*.THydrogen-bonded Turntrans69.2-26.8-174.7-47.6-38.4000116.5K136 A137 L138D134-K136 VanDerWaalsContact C-N 3.29Å; D134-K136 PolarHBondContact O-N 2.8Å; D134-A137 WeakPolarHBondContact O-CB 3.3Å; D134-A137 PolarHBondContact O-N 2.95Å; D134-L138 WeakPolarHBondContact O-CB 3.28Å; D134-L138 PolarHBondContact O-N 2.85Å
135L90.4Very high90.6Very high16 Ų1658.1 Ų58.18%0.08432%0.32CS..Hα-helixtrans-61.8-37.4179.7-176.359.9000112.4F114 L129 L132 Q133 A137 L138 V139 T172 I176F114-L135 HydrophobicContact CD1-CD2 4.34Å; F114-L135 HydrophobicContact CE1-CD2 3.75Å; F114-L135 HydrophobicContact CZ-CD2 3.86Å; L129-L135 HydrophobicContact CD1-CB 4.28Å; L129-L135 HydrophobicContact CD1-CD2 3.72Å; L129-L135 HydrophobicContact CD1-CG 3.94Å; L132-L135 HydrophobicContact CB-CB 3.85Å; L132-L135 HydrophobicContact CB-CD2 3.95Å; L132-L135 HydrophobicContact CD1-CD2 3.51Å; L132-L135 HydrophobicContact CG-CD2 4.37Å; L132-L135 PolarHBondContact O-N 3.4Å; Q133-L135 PolarHBondContact O-N 3.27Å; L135-A137 VanDerWaalsContact C-N 3.35Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-V139 HydrophobicContact CD1-CG2 4.26Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CB 3.31Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.81Å; L135-T172 HydrophobicContact CD1-CG2 4.3Å; L135-T172 HydrophobicContact CD2-CG2 3.96Å; L135-I176 HydrophobicContact CD1-CD1 3.86Å; L135-I176 HydrophobicContact CD2-CD1 4.14Å; L135-I176 HydrophobicContact CG-CD1 4.38Å
136K91.3Very high90.4Very high84 Ų8456.7 Ų56.737%0.36531%0.309SS..Hα-helixtrans-62-42.9174-70.8-173.4178.8-173.50112.5L108 L129 D130 D134 L138 V139 A140L108-K136 HydrophobicContact CD2-CB 4.39Å; L108-K136 HydrophobicContact CD2-CG 4.45Å; L129-K136 HydrophobicContact CD1-CG 4.02Å; L129-K136 HydrophobicContact CD2-CD 4.49Å; L129-K136 HydrophobicContact CD2-CG 3.9Å; L129-K136 HydrophobicContact CG-CD 4.29Å; L129-K136 HydrophobicContact CG-CG 3.64Å; D130-K136 WeakPolarHBondContact OD1-CE 3.22Å; D130-K136 IonicContact OD1-NZ 2.86Å; D130-K136 PolarHBondContact OD1-NZ 3.19Å; D134-K136 VanDerWaalsContact C-N 3.29Å; D134-K136 PolarHBondContact O-N 2.8Å; K136-L138 VanDerWaalsContact C-N 3.35Å; K136-V139 PolarHBondContact O-N 3.38Å; K136-A140 WeakPolarHBondContact O-CB 3.19Å; K136-A140 PolarHBondContact O-N 3.14Å
137A91.1Very high90.2Very high66 Ų6656.1 Ų56.155%0.54530%0.302SS..Hα-helixtrans-65.9-42.9179.200000110.3D134 L135 A140 E141D134-A137 WeakPolarHBondContact O-CB 3.3Å; D134-A137 PolarHBondContact O-N 2.95Å; L135-A137 VanDerWaalsContact C-N 3.35Å; A137-A140 PolarHBondContact O-N 2.74Å; A137-E141 WeakPolarHBondContact O-CB 3.32Å; A137-E141 PolarHBondContact O-N 3.06Å
138L92.6Very high90Very high18 Ų1856.3 Ų56.39%0.09431%0.306CS..Hα-helixtrans-59.9-49.5175.1-173.3164.6000111.6D134 L135 K136 A140 E141 I142 W168 V173D134-L138 WeakPolarHBondContact O-CB 3.28Å; D134-L138 PolarHBondContact O-N 2.85Å; L135-L138 PolarHBondContact O-N 3.34Å; K136-L138 VanDerWaalsContact C-N 3.35Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 3.25Å; L138-E141 WeakPolarHBondContact O-CB 3.23Å; L138-E141 PolarHBondContact O-N 2.91Å; L138-E141 VanDerWaalsContact O-N 3.15Å; L138-I142 HydrophobicContact CD2-CD1 3.48Å; L138-I142 VanDerWaalsContact CD2-CD1 3.48Å; L138-I142 HydrophobicContact CD2-CG1 4.17Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.98Å; L138-W168 HydrophobicContact CD1-CB 4.23Å; L138-W168 HydrophobicContact CD1-CD2 3.4Å; L138-W168 VanDerWaalsContact CD1-CD2 3.4Å; L138-W168 HydrophobicContact CD1-CE3 3.9Å; L138-W168 HydrophobicContact CD1-CG 3.55Å; L138-W168 HydrophobicContact CD1-CZ2 4.17Å; L138-W168 HydrophobicContact CD1-CZ3 4.45Å; L138-W168 HydrophobicContact CD2-CD2 4.41Å; L138-W168 HydrophobicContact CD2-CE3 4.15Å; L138-W168 HydrophobicContact CD2-CH2 4.11Å; L138-W168 HydrophobicContact CD2-CZ2 4.38Å; L138-W168 HydrophobicContact CD2-CZ3 3.99Å; L138-W168 HydrophobicContact CG-CD2 3.88Å; L138-W168 HydrophobicContact CG-CE3 4.13Å; L138-W168 HydrophobicContact CG-CG 4.5Å; L138-W168 HydrophobicContact CG-CH2 3.98Å; L138-W168 HydrophobicContact CG-CZ2 3.73Å; L138-W168 HydrophobicContact CG-CZ3 4.17Å; L138-V173 HydrophobicContact CD1-CG2 3.8Å; L138-V173 HydrophobicContact CD2-CG1 4.37Å; L138-V173 HydrophobicContact CD2-CG2 3.72Å; L138-V173 HydrophobicContact CG-CG2 4.45Å
139V94.8Very high89.9Confident1 Ų155.5 Ų55.51%0.00630%0.298CS..Hα-helixtrans-59.5-42177169.50000110.9L104 L108 L135 K136 I142 I143 I176L104-V139 HydrophobicContact CB-CG1 3.95Å; L104-V139 HydrophobicContact CD2-CG1 4.12Å; L108-V139 HydrophobicContact CD1-CG1 4.14Å; L108-V139 HydrophobicContact CD2-CB 3.97Å; L108-V139 HydrophobicContact CD2-CG1 3.67Å; L108-V139 HydrophobicContact CG-CG1 3.67Å; L135-V139 HydrophobicContact CD1-CG2 4.26Å; L135-V139 HydrophobicContact CG-CG2 4.4Å; L135-V139 WeakPolarHBondContact O-CB 3.31Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.44Å; L135-V139 PolarHBondContact O-N 2.81Å; K136-V139 PolarHBondContact O-N 3.38Å; V139-I142 PolarHBondContact O-N 3.46Å; V139-I143 HydrophobicContact CG1-CD1 4.11Å; V139-I143 VanDerWaalsContact O-CG1 3.32Å; V139-I143 WeakPolarHBondContact O-CG1 3.45Å; V139-I143 PolarHBondContact O-N 2.86Å; V139-I176 HydrophobicContact CG2-CD1 4.28Å
140A93.6Very high89.5Confident38 Ų3858.8 Ų58.831%0.31431%0.313SS..Hα-helixtrans-66.5-35.5176.200000113.1K136 A137 L138 I143 T144K136-A140 WeakPolarHBondContact O-CB 3.19Å; K136-A140 PolarHBondContact O-N 3.14Å; A137-A140 PolarHBondContact O-N 2.74Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 3.25Å; A140-I143 PolarHBondContact O-N 3.41Å; A140-T144 WeakPolarHBondContact O-CB 3.47Å; A140-T144 PolarHBondContact O-N 2.88Å; A140-T144 PolarHBondContact O-OG1 3.01Å
141E94.3Very high89.2Confident93 Ų9361.6 Ų61.644%0.43532%0.315SS..Hα-helixtrans-61.7-48.1173.6-175.2-175.8162.800110.8A137 L138 I143 T144 H145A137-E141 WeakPolarHBondContact O-CB 3.32Å; A137-E141 PolarHBondContact O-N 3.06Å; L138-E141 WeakPolarHBondContact O-CB 3.23Å; L138-E141 PolarHBondContact O-N 2.91Å; L138-E141 VanDerWaalsContact O-N 3.15Å; E141-I143 PolarHBondContact O-N 2.88Å; E141-T144 PolarHBondContact O-N 3.12Å; E141-H145 WeakPolarHBondContact O-CB 3.21Å; E141-H145 PolarHBondContact O-N 3.11Å
142I95.5Very high88.6Confident2 Ų262.2 Ų62.21%0.0132%0.322CS..Hα-helixtrans-60.4-45.6177.2-61.8172.4000110.7L104 L138 V139 T144 H145 L146 L163 W168 V173 L177L104-I142 HydrophobicContact CD1-CB 3.95Å; L104-I142 HydrophobicContact CD1-CG2 3.49Å; L104-I142 VanDerWaalsContact CD1-CG2 3.49Å; L138-I142 HydrophobicContact CD2-CD1 3.48Å; L138-I142 VanDerWaalsContact CD2-CD1 3.48Å; L138-I142 HydrophobicContact CD2-CG1 4.17Å; L138-I142 WeakPolarHBondContact O-CG1 3.44Å; L138-I142 PolarHBondContact O-N 2.98Å; V139-I142 PolarHBondContact O-N 3.46Å; I142-T144 VanDerWaalsContact C-N 3.35Å; I142-T144 PolarHBondContact O-N 3.19Å; I142-H145 PolarHBondContact O-N 3.03Å; I142-L146 HydrophobicContact CG2-CD1 3.83Å; I142-L146 HydrophobicContact CG2-CG 4.31Å; I142-L146 WeakPolarHBondContact O-CG 3.3Å; I142-L146 PolarHBondContact O-N 2.92Å; I142-L163 HydrophobicContact CG1-CD1 3.85Å; I142-L163 HydrophobicContact CG2-CD1 4.44Å; I142-W168 HydrophobicContact CD1-CH2 4.33Å; I142-W168 HydrophobicContact CD1-CZ3 4.14Å; I142-W168 HydrophobicContact CG1-CH2 4.08Å; I142-W168 HydrophobicContact CG1-CZ3 4.35Å; I142-V173 HydrophobicContact CD1-CG1 4.13Å; I142-L177 HydrophobicContact CD1-CD2 4.47Å; I142-L177 HydrophobicContact CG2-CD2 4.32Å
143I95.8Very high87.9Confident12 Ų1264 Ų646%0.06233%0.331CS..Hα-helixtrans-57.7-49.9176.6-68.8165.8000110.2L104 E105 L108 V139 A140 E141 H145 L146 Q147L104-I143 HydrophobicContact CB-CD1 3.69Å; L104-I143 HydrophobicContact CB-CG1 3.51Å; L104-I143 HydrophobicContact CD1-CG1 3.83Å; L104-I143 HydrophobicContact CG-CG1 4.34Å; E105-I143 HydrophobicContact CG-CD1 4.13Å; L108-I143 HydrophobicContact CD1-CD1 3.66Å; V139-I143 HydrophobicContact CG1-CD1 4.11Å; V139-I143 VanDerWaalsContact O-CG1 3.32Å; V139-I143 WeakPolarHBondContact O-CG1 3.45Å; V139-I143 PolarHBondContact O-N 2.86Å; A140-I143 PolarHBondContact O-N 3.41Å; E141-I143 PolarHBondContact O-N 2.88Å; I143-H145 VanDerWaalsContact C-N 3.3Å; I143-H145 PolarHBondContact O-N 3.49Å; I143-L146 PolarHBondContact O-N 3.43Å; I143-Q147 HydrophobicContact CG2-CG 4.08Å; I143-Q147 WeakPolarHBondContact O-CB 3.42Å; I143-Q147 VanDerWaalsContact O-CG 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.3Å; I143-Q147 PolarHBondContact O-N 3.48Å
144T94.9Very high88Confident89 Ų8959.8 Ų59.855%0.54632%0.32SS..Hα-helixtrans-60.1-43.1-177.5-59.40000111.2A140 E141 I142 G148A140-T144 WeakPolarHBondContact O-CB 3.47Å; A140-T144 PolarHBondContact O-N 2.88Å; A140-T144 PolarHBondContact O-OG1 3.01Å; E141-T144 PolarHBondContact O-N 3.12Å; I142-T144 VanDerWaalsContact C-N 3.35Å; I142-T144 PolarHBondContact O-N 3.19Å; T144-G148 PolarHBondContact O-N 3.35Å
145H94.3Very high87.4Confident52 Ų5259.1 Ų59.124%0.24132%0.323CS..Hα-helixtrans-60.6-52.2176.6-179.973.9000111.9E141 I142 I143 Q147 G148 L149 S161 L163E141-H145 WeakPolarHBondContact O-CB 3.21Å; E141-H145 PolarHBondContact O-N 3.11Å; I142-H145 PolarHBondContact O-N 3.03Å; I143-H145 VanDerWaalsContact C-N 3.3Å; I143-H145 PolarHBondContact O-N 3.49Å; H145-Q147 PolarHBondContact O-N 2.8Å; H145-G148 PolarHBondContact O-N 2.91Å; H145-L149 WeakPolarHBondContact O-CG 3.3Å; H145-L149 PolarHBondContact O-N 3.32Å; H145-L149 VanDerWaalsContact O-N 3.15Å; H145-S161 WeakPolarHBondContact NE2-CB 3.26Å; H145-S161 PolarHBondContact NE2-OG 3.28Å; H145-L163 HydrophobicContact CB-CD2 4.01Å
146L92.8Very high86.7Confident0 Ų061.9 Ų61.90%034%0.344CS..Hα-helixtrans-66.2-39-179.2-68.3175000112.8V95 V100 C101 I142 I143 G148 L149 Q150V95-L146 HydrophobicContact CG2-CD2 4.43Å; V100-L146 HydrophobicContact CB-CD1 3.96Å; V100-L146 HydrophobicContact CG1-CD1 3.4Å; C101-L146 VanDerWaalsContact SG-CB 3.56Å; I142-L146 HydrophobicContact CG2-CD1 3.83Å; I142-L146 HydrophobicContact CG2-CG 4.31Å; I142-L146 WeakPolarHBondContact O-CG 3.3Å; I142-L146 PolarHBondContact O-N 2.92Å; I143-L146 PolarHBondContact O-N 3.43Å; L146-G148 VanDerWaalsContact C-N 3.31Å; L146-G148 PolarHBondContact O-N 3.33Å; L146-L149 HydrophobicContact CD2-CD1 4.26Å; L146-L149 WeakPolarHBondContact O-CB 3.38Å; L146-L149 PolarHBondContact O-N 2.81Å; L146-Q150 WeakPolarHBondContact O-CG 3.49Å; L146-Q150 PolarHBondContact O-N 3.22Å; L146-Q150 VanDerWaalsContact O-N 3.12Å
147Q91.6Very high86.5Confident61 Ų6159.7 Ų59.729%0.28534%0.341SS..Hα-helixtrans-67-32.1174.3-73.1179.1-10.900112.2E105 I143 H145E105-Q147 PolarHBondContact OE1-NE2 3.22Å; I143-Q147 HydrophobicContact CG2-CG 4.08Å; I143-Q147 WeakPolarHBondContact O-CB 3.42Å; I143-Q147 VanDerWaalsContact O-CG 3.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.3Å; I143-Q147 PolarHBondContact O-N 3.48Å; H145-Q147 PolarHBondContact O-N 2.8Å
148G88.6Confident86.5Confident17 Ų1757.1 Ų57.118%0.17532%0.319CS..Hα-helixtrans-59.7-48.9171.300000111.2T144 H145 L146 Q150 R151T144-G148 PolarHBondContact O-N 3.35Å; H145-G148 PolarHBondContact O-N 2.91Å; L146-G148 VanDerWaalsContact C-N 3.31Å; L146-G148 PolarHBondContact O-N 3.33Å; G148-Q150 VanDerWaalsContact C-N 3.34Å; G148-Q150 PolarHBondContact O-N 3.35Å; G148-R151 PolarHBondContact O-N 2.88Å
149L84.4Confident86.5Confident34 Ų3457 Ų5718%0.17832%0.319CS..Hα-helixtrans-60.5-40.2178.8-66.1168.7000112.8H84 H145 L146 R151 D152 L153H84-L149 WeakPolarHBondContact CE1-CD1 3.19Å; H84-L149 WeakPolarHBondContact NE2-CD1 3.37Å; H145-L149 WeakPolarHBondContact O-CG 3.3Å; H145-L149 PolarHBondContact O-N 3.32Å; H145-L149 VanDerWaalsContact O-N 3.15Å; L146-L149 HydrophobicContact CD2-CD1 4.26Å; L146-L149 WeakPolarHBondContact O-CB 3.38Å; L146-L149 PolarHBondContact O-N 2.81Å; L149-R151 PolarHBondContact O-N 3.19Å; L149-D152 PolarHBondContact O-N 2.86Å; L149-L153 HydrophobicContact CB-CD1 3.94Å; L149-L153 HydrophobicContact CD2-CD1 4.44Å; L149-L153 WeakPolarHBondContact O-CB 3.16Å; L149-L153 WeakPolarHBondContact O-CD1 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.26Å; L149-L153 PolarHBondContact O-N 3.25Å; L149-L153 VanDerWaalsContact O-N 3.11Å
150Q79.9Confident86.5Confident83 Ų8361.2 Ų61.239%0.38834%0.339SS..Hα-helixtrans-61.9-26.4178.8-74.5176.3-2400114.1P97 E98 L146 G148P97-Q150 VanDerWaalsContact C-NE2 3.26Å; P97-Q150 HydrophobicContact CB-CG 3.92Å; E98-Q150 VanDerWaalsContact CA-NE2 3.29Å; L146-Q150 WeakPolarHBondContact O-CG 3.49Å; L146-Q150 PolarHBondContact O-N 3.22Å; L146-Q150 VanDerWaalsContact O-N 3.12Å; G148-Q150 VanDerWaalsContact C-N 3.34Å; G148-Q150 PolarHBondContact O-N 3.35Å
151R77.9Confident86.6Confident176 Ų17660.2 Ų60.266%0.66433%0.329SS*.Hα-helixtrans-78.2-30.9179.2-66.7-178.2-129.8118.71.5112.6G148 L149G148-R151 PolarHBondContact O-N 2.88Å; L149-R151 PolarHBondContact O-N 3.19Å
152D72.5Confident86.6Confident141 Ų14161.9 Ų61.975%0.75433%0.332SS*.Hα-helixtrans-98.5-17.2-171.1-63.1-23000112.9L149L149-D152 PolarHBondContact O-N 2.86Å
153L69.6Low86.5Confident65 Ų6562.2 Ų62.234%0.3433%0.333SS..SBendtrans-100.8147.7-173.4-65.4171000113.5L149 S159L149-L153 HydrophobicContact CB-CD1 3.94Å; L149-L153 HydrophobicContact CD2-CD1 4.44Å; L149-L153 WeakPolarHBondContact O-CB 3.16Å; L149-L153 WeakPolarHBondContact O-CD1 3.32Å; L149-L153 WeakPolarHBondContact O-CG 3.26Å; L149-L153 PolarHBondContact O-N 3.25Å; L149-L153 VanDerWaalsContact O-N 3.11Å; L153-S159 VanDerWaalsContact CD1-OG 3.24Å; L153-S159 WeakPolarHBondContact CD1-OG 3.22Å
154S76.8Confident86.2Confident76 Ų7668.8 Ų68.853%0.53136%0.364SS..  trans-66.9135.3167.6-66.70000110.1S156 A157S154-S156 PolarHBondContact O-N 3.2Å; S154-A157 PolarHBondContact O-N 3.27Å
155P73Confident85.6Confident118 Ų11865.7 Ų65.777%0.76635%0.345SS*.THydrogen-bonded Turntrans-57.9-19.8-175.6-27.434.3000115.7G82G82-P155 PolarHBondContact N-O 2.91Å
156S76.2Confident84.9Confident74 Ų7467.3 Ų67.352%0.51736%0.363SS..THydrogen-bonded Turntrans-99.9-9.5179.355.80000114.1Q74 S154Q74-S156 PolarHBondContact NE2-O 3.48Å; Q74-S156 PolarHBondContact OE1-O 3.12Å; S154-S156 PolarHBondContact O-N 3.2Å
157A86.6Confident84.4Confident38 Ų3874.4 Ų74.431%0.31440%0.4SS..  trans-81.3134.5-173.900000111.8G82 S154G82-A157 WeakPolarHBondContact CA-O 3.48Å; S154-A157 PolarHBondContact O-N 3.27Å
158V91.7Very high84.3Confident12 Ų1273 Ų737%0.07339%0.393CS..  trans-68.8139.4163.3-175.90000108.3Q67 L70 E71 Q74 L83 I85Q67-V158 HydrophobicContact CB-CG1 4.44Å; Q67-V158 HydrophobicContact CG-CB 4.46Å; Q67-V158 HydrophobicContact CG-CG1 3.92Å; L70-V158 HydrophobicContact CB-CB 4.44Å; L70-V158 HydrophobicContact CB-CG1 3.81Å; L70-V158 HydrophobicContact CB-CG2 3.72Å; L70-V158 HydrophobicContact CD1-CG1 3.87Å; L70-V158 HydrophobicContact CG-CG1 4.49Å; E71-V158 HydrophobicContact CG-CB 3.99Å; E71-V158 HydrophobicContact CG-CG2 3.94Å; Q74-V158 HydrophobicContact CG-CG2 4.44Å; L83-V158 WeakPolarHBondContact O-CA 3.14Å; I85-V158 HydrophobicContact CD1-CG1 4.32Å
159S92.6Very high84.5Confident15 Ų1573 Ų7311%0.10539%0.389CS..EExtended strand (participates in β ladder)trans-141.6163.5178.952.20000110.5L83 H84 I85 L153L83-S159 PolarHBondContact O-N 2.77Å; H84-S159 CarbonylContact C-O 3.59Å; H84-S159 WeakPolarHBondContact CA-O 3.26Å; H84-S159 PolarHBondContact ND1-O 2.99Å; H84-S159 PolarHBondContact ND1-OG 3.37Å; I85-S159 PolarHBondContact N-O 2.88Å; L153-S159 VanDerWaalsContact CD1-OG 3.24Å; L153-S159 WeakPolarHBondContact CD1-OG 3.22Å
160H94.3Very high84.9Confident90 Ų9073.7 Ų73.742%0.41739%0.392SS..EExtended strand (participates in β ladder)trans-137153.8173.272.6-88000110.9A63 Q67 I85A63-H160 HydrophobicContact CB-CB 4.29Å; Q67-H160 PolarHBondContact OE1-ND1 3.28Å; I85-H160 HydrophobicContact CB-CB 3.83Å; I85-H160 HydrophobicContact CD1-CB 4.48Å; I85-H160 HydrophobicContact CG2-CB 4.37Å; I85-H160 CarbonylContact O-C 3.55Å; I85-H160 WeakPolarHBondContact O-CA 3.34Å
161S94.9Very high85.5Confident16 Ų1671.1 Ų71.111%0.11238%0.383CS..EExtended strand (participates in β ladder)trans-155.5169.8173.472.60000110.5H84 I85 E87 H145H84-S161 PolarHBondContact CE1-N 3.17Å; H84-S161 VanDerWaalsContact CE1-N 3.34Å; H84-S161 PolarHBondContact CE1-OG 2.76Å; H84-S161 VanDerWaalsContact CE1-OG 3.28Å; H84-S161 PolarHBondContact NE2-N 3.22Å; H84-S161 PolarHBondContact NE2-OG 2.71Å; I85-S161 PolarHBondContact O-N 2.87Å; E87-S161 PolarHBondContact N-O 2.91Å; H145-S161 WeakPolarHBondContact NE2-CB 3.26Å; H145-S161 PolarHBondContact NE2-OG 3.28Å
162R94.7Very high86.3Confident128 Ų12862.8 Ų62.848%0.48335%0.352SS..EExtended strand (participates in β ladder)trans-129.9136.6-178.4-179176.7-69.4-102.12.1111E87 G89E87-R162 HydrophobicContact CB-CB 4.1Å; E87-R162 HydrophobicContact CB-CG 4.11Å; E87-R162 WeakPolarHBondContact O-CA 3.32Å; E87-R162 IonicContact OE1-CZ 2.75Å; E87-R162 IonicContact OE1-NH2 3.04Å; E87-R162 PolarHBondContact OE1-NH2 2.83Å; E87-R162 IonicContact OE2-CZ 3.08Å; E87-R162 VanDerWaalsContact OE2-CZ 3.24Å; E87-R162 IonicContact OE2-NE 2.75Å; E87-R162 PolarHBondContact OE2-NE 3.11Å; E87-R162 VanDerWaalsContact OE2-NE 3.1Å; E87-R162 IonicContact OE2-NH2 2.61Å; E87-R162 PolarHBondContact OE2-NH2 3.22Å; G89-R162 PolarHBondContact O-NH1 2.8Å
163L93.9Very high87.4Confident9 Ų956.2 Ų56.25%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-104141.6169.1-70.6171.3000110.5L86 E87 I88 I142 H145 W168L86-L163 HydrophobicContact CD1-CD1 3.83Å; L86-L163 HydrophobicContact CD1-CG 3.96Å; L86-L163 HydrophobicContact CD2-CD1 4.14Å; L86-L163 HydrophobicContact CG-CD1 4.35Å; E87-L163 PolarHBondContact O-N 3.26Å; I88-L163 HydrophobicContact CD1-CD1 4.46Å; I88-L163 HydrophobicContact CG1-CB 4.44Å; I142-L163 HydrophobicContact CG1-CD1 3.85Å; I142-L163 HydrophobicContact CG2-CD1 4.44Å; H145-L163 HydrophobicContact CB-CD2 4.01Å; L163-W168 HydrophobicContact CB-CH2 4.2Å; L163-W168 HydrophobicContact CD1-CH2 4.13Å; L163-W168 HydrophobicContact CD1-CZ3 4.44Å
164H88.7Confident88.6Confident151 Ų15154.1 Ų54.170%0.69931%0.305SS*.  trans-80123.2172.8-64.284.1000108W168H164-W168 WeakPolarHBondContact O-CZ2 3.43Å
165S83.3Confident89.6Confident23 Ų2350.8 Ų50.816%0.16128%0.283CS..  trans-120.524.1-171.150.20000113.5G89 D167 W168G89-S165 PolarHBondContact N-OG 2.87Å; G89-S165 VanDerWaalsContact N-OG 3.13Å; S165-D167 PolarHBondContact O-N 3.04Å; S165-W168 PolarHBondContact O-N 3.15Å; S165-W168 VanDerWaalsContact O-N 3.17Å
166S78.2Confident90.8Very high87 Ų8745.4 Ų45.461%0.60825%0.247SC*.THydrogen-bonded Turntrans-54.7127.2170.946.30000109W168S166-W168 VanDerWaalsContact C-N 3.28Å; S166-W168 PolarHBondContact O-N 3.3Å
167D83.1Confident91.8Very high148 Ų14841.9 Ų41.979%0.79122%0.223SC*.THydrogen-bonded Turntrans68.517.7177.7-44.6-48.9000115.5S165 L188S165-D167 PolarHBondContact O-N 3.04Å; D167-L188 VanDerWaalsContact C-CD1 3.45Å; D167-L188 WeakPolarHBondContact O-CD1 3.15Å
168W90.2Very high92.3Very high33 Ų3340.9 Ų40.913%0.12521%0.212CC..  trans-86.6137.6174.2-69.416.3000111.5I88 L138 I142 L163 H164 S165 S166 L170 V173I88-W168 HydrophobicContact CD1-CZ3 4.44Å; I88-W168 HydrophobicContact CG2-CE3 4.04Å; I88-W168 HydrophobicContact CG2-CZ3 4.12Å; L138-W168 HydrophobicContact CD1-CB 4.23Å; L138-W168 HydrophobicContact CD1-CD2 3.4Å; L138-W168 VanDerWaalsContact CD1-CD2 3.4Å; L138-W168 HydrophobicContact CD1-CE3 3.9Å; L138-W168 HydrophobicContact CD1-CG 3.55Å; L138-W168 HydrophobicContact CD1-CZ2 4.17Å; L138-W168 HydrophobicContact CD1-CZ3 4.45Å; L138-W168 HydrophobicContact CD2-CD2 4.41Å; L138-W168 HydrophobicContact CD2-CE3 4.15Å; L138-W168 HydrophobicContact CD2-CH2 4.11Å; L138-W168 HydrophobicContact CD2-CZ2 4.38Å; L138-W168 HydrophobicContact CD2-CZ3 3.99Å; L138-W168 HydrophobicContact CG-CD2 3.88Å; L138-W168 HydrophobicContact CG-CE3 4.13Å; L138-W168 HydrophobicContact CG-CG 4.5Å; L138-W168 HydrophobicContact CG-CH2 3.98Å; L138-W168 HydrophobicContact CG-CZ2 3.73Å; L138-W168 HydrophobicContact CG-CZ3 4.17Å; I142-W168 HydrophobicContact CD1-CH2 4.33Å; I142-W168 HydrophobicContact CD1-CZ3 4.14Å; I142-W168 HydrophobicContact CG1-CH2 4.08Å; I142-W168 HydrophobicContact CG1-CZ3 4.35Å; L163-W168 HydrophobicContact CB-CH2 4.2Å; L163-W168 HydrophobicContact CD1-CH2 4.13Å; L163-W168 HydrophobicContact CD1-CZ3 4.44Å; H164-W168 WeakPolarHBondContact O-CZ2 3.43Å; S165-W168 PolarHBondContact O-N 3.15Å; S165-W168 VanDerWaalsContact O-N 3.17Å; S166-W168 VanDerWaalsContact C-N 3.28Å; S166-W168 PolarHBondContact O-N 3.3Å; W168-L170 VanDerWaalsContact C-N 3.32Å; W168-L170 HydrophobicContact CB-CD2 4.09Å; W168-L170 PolarHBondContact O-N 3.34Å; W168-V173 HydrophobicContact CE3-CG1 4.18Å; W168-V173 HydrophobicContact CE3-CG2 4.09Å; W168-V173 HydrophobicContact CZ3-CG1 4.28Å
169N91.8Very high92.5Very high17 Ų1740.5 Ų40.59%0.09121%0.21CC..  trans-74.390162.5-171.5-32000109.1C171 T172 V173 F186 L188N169-C171 PolarHBondContact O-N 2.95Å; N169-C171 WeakPolarHBondContact OD1-CB 3.4Å; N169-C171 PolarHBondContact OD1-N 3.47Å; N169-T172 PolarHBondContact ND2-OG1 3.14Å; N169-T172 WeakPolarHBondContact O-CB 3.43Å; N169-T172 PolarHBondContact O-N 2.96Å; N169-T172 VanDerWaalsContact O-N 3.12Å; N169-T172 PolarHBondContact OD1-N 3.49Å; N169-T172 VanDerWaalsContact OD1-N 3.11Å; N169-T172 PolarHBondContact OD1-OG1 3.47Å; N169-V173 WeakPolarHBondContact O-CG2 3.46Å; N169-V173 PolarHBondContact O-N 2.78Å; N169-F186 WeakPolarHBondContact ND2-CD1 3.35Å; N169-F186 WeakPolarHBondContact ND2-CD2 3.34Å; N169-F186 VanDerWaalsContact ND2-CE1 3.3Å; N169-F186 WeakPolarHBondContact ND2-CE1 3.4Å; N169-F186 VanDerWaalsContact ND2-CG 3.25Å; N169-F186 WeakPolarHBondContact ND2-CG 3.31Å; N169-F186 WeakPolarHBondContact ND2-CZ 3.45Å; N169-F186 PolarHBondContact ND2-N 3.14Å; N169-F186 PolarHBondContact ND2-O 2.94Å; N169-F186 VanDerWaalsContact OD1-CE1 3.3Å; N169-F186 WeakPolarHBondContact OD1-CE1 3.29Å; N169-F186 WeakPolarHBondContact OD1-CZ 3.44Å; N169-L188 HydrophobicContact CB-CD2 4.25Å; N169-L188 HydrophobicContact CB-CG 4.41Å
170L92.3Very high92.8Very high48 Ų4842.5 Ų42.525%0.25122%0.216SC..Hα-helixtrans-60.3-31.4-177-66.2-175.7000112.8I88 W168 V173 F174I88-L170 HydrophobicContact CG2-CD2 3.6Å; W168-L170 VanDerWaalsContact C-N 3.32Å; W168-L170 HydrophobicContact CB-CD2 4.09Å; W168-L170 PolarHBondContact O-N 3.34Å; L170-V173 PolarHBondContact O-N 2.95Å; L170-F174 HydrophobicContact CB-CE2 4.24Å; L170-F174 HydrophobicContact CB-CZ 4.26Å; L170-F174 HydrophobicContact CD1-CZ 4.42Å; L170-F174 HydrophobicContact CD2-CE1 4.33Å; L170-F174 HydrophobicContact CD2-CZ 4.28Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 WeakPolarHBondContact O-CG 3.4Å; L170-F174 PolarHBondContact O-N 3.2Å
171C92.6Very high92.9Very high28 Ų2838.3 Ų38.319%0.18920%0.197CC..Hα-helixtrans-62-48.1174.7-171.20000110.8N169 G175 F186 L270N169-C171 PolarHBondContact O-N 2.95Å; N169-C171 WeakPolarHBondContact OD1-CB 3.4Å; N169-C171 PolarHBondContact OD1-N 3.47Å; C171-G175 PolarHBondContact O-N 3.36Å; C171-F186 HydrophobicContact CB-CE1 3.61Å; C171-F186 HydrophobicContact CB-CZ 4.18Å; C171-L270 PolarHBondContact SG-OXT 2.58Å
172T95.1Very high93Very high2 Ų237.7 Ų37.71%0.01219%0.192CC..Hα-helixtrans-60.4-49.4175.2-490000111F114 L135 N169 F174 G175 I176 Y184 T185F114-T172 HydrophobicContact CD1-CG2 4.26Å; F114-T172 HydrophobicContact CE1-CG2 4.22Å; L135-T172 HydrophobicContact CD1-CG2 4.3Å; L135-T172 HydrophobicContact CD2-CG2 3.96Å; N169-T172 PolarHBondContact ND2-OG1 3.14Å; N169-T172 WeakPolarHBondContact O-CB 3.43Å; N169-T172 PolarHBondContact O-N 2.96Å; N169-T172 VanDerWaalsContact O-N 3.12Å; N169-T172 PolarHBondContact OD1-N 3.49Å; N169-T172 VanDerWaalsContact OD1-N 3.11Å; N169-T172 PolarHBondContact OD1-OG1 3.47Å; T172-F174 PolarHBondContact O-N 3.27Å; T172-G175 PolarHBondContact O-N 2.92Å; T172-I176 HydrophobicContact CG2-CD1 4.19Å; T172-I176 VanDerWaalsContact O-CG1 3.31Å; T172-I176 WeakPolarHBondContact O-CG1 3.41Å; T172-I176 PolarHBondContact O-N 3.47Å; T172-Y184 VanDerWaalsContact CA-O 3.28Å; T172-Y184 WeakPolarHBondContact CA-O 3.5Å; T172-Y184 WeakPolarHBondContact CB-O 3.37Å; T172-Y184 PolarHBondContact OG1-O 2.96Å; T172-T185 VanDerWaalsContact OG1-CA 3.27Å; T172-T185 WeakPolarHBondContact OG1-CA 3.49Å; T172-T185 WeakPolarHBondContact OG1-CB 3.43Å; T172-T185 PolarHBondContact OG1-OG1 3.36Å
173V95.6Very high93.1Very high2 Ų231.6 Ų31.61%0.01217%0.169CC..Hα-helixtrans-63-43.8-176.9174.70000111I88 L138 I142 W168 N169 L170 I176 L177I88-V173 HydrophobicContact CD1-CG1 4.35Å; L138-V173 HydrophobicContact CD1-CG2 3.8Å; L138-V173 HydrophobicContact CD2-CG1 4.37Å; L138-V173 HydrophobicContact CD2-CG2 3.72Å; L138-V173 HydrophobicContact CG-CG2 4.45Å; I142-V173 HydrophobicContact CD1-CG1 4.13Å; W168-V173 HydrophobicContact CE3-CG1 4.18Å; W168-V173 HydrophobicContact CE3-CG2 4.09Å; W168-V173 HydrophobicContact CZ3-CG1 4.28Å; N169-V173 WeakPolarHBondContact O-CG2 3.46Å; N169-V173 PolarHBondContact O-N 2.78Å; L170-V173 PolarHBondContact O-N 2.95Å; V173-I176 PolarHBondContact O-N 3.05Å; V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.33Å
174F96.1Very high93.2Very high22 Ų2232.1 Ų32.110%0.09617%0.171CC..Hα-helixtrans-69.6-38.9177.7-66-9.4000111.7L55 I88 N91 L93 L170 T172 I176 L177 L178L55-F174 HydrophobicContact CD1-CE2 4.47Å; I88-F174 HydrophobicContact CB-CE1 3.99Å; I88-F174 HydrophobicContact CB-CZ 4.4Å; I88-F174 HydrophobicContact CD1-CE1 4.21Å; I88-F174 HydrophobicContact CG2-CE1 4.16Å; N91-F174 HydrophobicContact CB-CE2 3.91Å; N91-F174 HydrophobicContact CB-CZ 3.65Å; L93-F174 HydrophobicContact CD1-CD1 4.11Å; L93-F174 HydrophobicContact CD1-CE1 3.8Å; L93-F174 HydrophobicContact CD1-CZ 4.45Å; L170-F174 HydrophobicContact CB-CE2 4.24Å; L170-F174 HydrophobicContact CB-CZ 4.26Å; L170-F174 HydrophobicContact CD1-CZ 4.42Å; L170-F174 HydrophobicContact CD2-CE1 4.33Å; L170-F174 HydrophobicContact CD2-CZ 4.28Å; L170-F174 VanDerWaalsContact O-CB 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 WeakPolarHBondContact O-CG 3.4Å; L170-F174 PolarHBondContact O-N 3.2Å; T172-F174 PolarHBondContact O-N 3.27Å; F174-I176 VanDerWaalsContact C-N 3.26Å; F174-I176 PolarHBondContact O-N 2.93Å; F174-L177 PolarHBondContact O-N 3.06Å; F174-L178 HydrophobicContact CB-CD1 4.47Å; F174-L178 WeakPolarHBondContact O-CB 3.33Å; F174-L178 WeakPolarHBondContact O-CG 3.4Å; F174-L178 PolarHBondContact O-N 2.92Å
175G97.1Very high93.5Very high6 Ų625.5 Ų25.56%0.06214%0.141CC..Hα-helixtrans-56.5-42.3172.900000112.2C171 T172 G179 Y180C171-G175 PolarHBondContact O-N 3.36Å; T172-G175 PolarHBondContact O-N 2.92Å; G175-G179 PolarHBondContact O-N 2.89Å; G175-Y180 VanDerWaalsContact O-CB 3.32Å; G175-Y180 WeakPolarHBondContact O-CB 3.46Å; G175-Y180 PolarHBondContact O-N 3.38Å
176I97Very high93.9Very high4 Ų426.8 Ų26.82%0.02114%0.144CC..Hα-helixtrans-64.3-55.2172.8-64.3165.3000110.6H103 L104 V107 I112 F114 L135 V139 T172 V173 F174 L178 G179 P183H103-I176 PolarHBondContact CD2-O 2.88Å; H103-I176 VanDerWaalsContact CD2-O 3.29Å; H103-I176 PolarHBondContact NE2-O 3.33Å; L104-I176 HydrophobicContact CD2-CG2 3.43Å; L104-I176 VanDerWaalsContact CD2-CG2 3.43Å; V107-I176 HydrophobicContact CG1-CG2 4.45Å; V107-I176 HydrophobicContact CG2-CG2 4.08Å; I112-I176 HydrophobicContact CD1-CG1 4.28Å; F114-I176 HydrophobicContact CE1-CD1 3.87Å; F114-I176 HydrophobicContact CE1-CG1 3.98Å; F114-I176 HydrophobicContact CZ-CD1 4.24Å; F114-I176 HydrophobicContact CZ-CG1 4.46Å; L135-I176 HydrophobicContact CD1-CD1 3.86Å; L135-I176 HydrophobicContact CD2-CD1 4.14Å; L135-I176 HydrophobicContact CG-CD1 4.38Å; V139-I176 HydrophobicContact CG2-CD1 4.28Å; T172-I176 HydrophobicContact CG2-CD1 4.19Å; T172-I176 VanDerWaalsContact O-CG1 3.31Å; T172-I176 WeakPolarHBondContact O-CG1 3.41Å; T172-I176 PolarHBondContact O-N 3.47Å; V173-I176 PolarHBondContact O-N 3.05Å; F174-I176 VanDerWaalsContact C-N 3.26Å; F174-I176 PolarHBondContact O-N 2.93Å; I176-L178 VanDerWaalsContact C-N 3.25Å; I176-L178 PolarHBondContact O-N 3.17Å; I176-G179 WeakPolarHBondContact O-CA 3.33Å; I176-G179 PolarHBondContact O-N 3.43Å; I176-P183 HydrophobicContact CG1-CB 4.36Å; I176-P183 HydrophobicContact CG1-CG 3.91Å
177L97.6Very high94.4Very high1 Ų127.6 Ų27.61%0.00514%0.138CC..Hα-helixtrans-63.3-30-174.8-71174.8000113.4P52 A53 L86 I88 L93 V100 L104 I142 V173 F174 G179P52-L177 VanDerWaalsContact CG-O 3.26Å; P52-L177 WeakPolarHBondContact CG-O 3.41Å; A53-L177 WeakPolarHBondContact CB-O 3.19Å; A53-L177 PolarHBondContact N-O 3.43Å; L86-L177 HydrophobicContact CD2-CD1 4.46Å; I88-L177 HydrophobicContact CD1-CD1 3.51Å; L93-L177 HydrophobicContact CD1-CD1 4.39Å; L93-L177 HydrophobicContact CD2-CB 3.93Å; L93-L177 HydrophobicContact CD2-CD1 4.19Å; V100-L177 HydrophobicContact CG1-CD2 3.92Å; L104-L177 HydrophobicContact CD1-CD2 4.37Å; L104-L177 HydrophobicContact CD2-CD2 4.27Å; I142-L177 HydrophobicContact CD1-CD2 4.47Å; I142-L177 HydrophobicContact CG2-CD2 4.32Å; V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.31Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CG 3.46Å; V173-L177 PolarHBondContact O-N 3.33Å; F174-L177 PolarHBondContact O-N 3.06Å; L177-G179 PolarHBondContact O-N 3.48Å
178L97Very high94.2Very high16 Ų1624.2 Ų24.28%0.08412%0.119CC..THydrogen-bonded Turntrans-77.2-10.1174.3-67.1171.4000112.8L55 F174 I176 Y180 Y220L55-L178 HydrophobicContact CB-CD2 4.11Å; F174-L178 HydrophobicContact CB-CD1 4.47Å; F174-L178 WeakPolarHBondContact O-CB 3.33Å; F174-L178 WeakPolarHBondContact O-CG 3.4Å; F174-L178 PolarHBondContact O-N 2.92Å; I176-L178 VanDerWaalsContact C-N 3.25Å; I176-L178 PolarHBondContact O-N 3.17Å; L178-Y180 HydrophobicContact CB-CD1 4.28Å; L178-Y180 HydrophobicContact CB-CE1 4Å; L178-Y180 HydrophobicContact CD1-CE2 4.2Å; L178-Y220 VanDerWaalsContact O-CE1 3.31Å; L178-Y220 WeakPolarHBondContact O-CE1 3.49Å
179G96.9Very high93.4Very high4 Ų430.6 Ų30.64%0.04116%0.156CC..THydrogen-bonded Turntrans82.928.417700000114.1G175 I176 L177G175-G179 PolarHBondContact O-N 2.89Å; I176-G179 WeakPolarHBondContact O-CA 3.33Å; I176-G179 PolarHBondContact O-N 3.43Å; L177-G179 PolarHBondContact O-N 3.48Å
180Y97.6Very high92.3Very high57 Ų5733.2 Ų33.222%0.22417%0.168CC..  trans-70.7134.1175.7-62.9-16.1000110.4G175 L178 V182 P183 Y220 S221 F222G175-Y180 VanDerWaalsContact O-CB 3.32Å; G175-Y180 WeakPolarHBondContact O-CB 3.46Å; G175-Y180 PolarHBondContact O-N 3.38Å; L178-Y180 HydrophobicContact CB-CD1 4.28Å; L178-Y180 HydrophobicContact CB-CE1 4Å; L178-Y180 HydrophobicContact CD1-CE2 4.2Å; Y180-V182 PolarHBondContact O-N 2.89Å; Y180-P183 WeakPolarHBondContact O-CD 3.47Å; Y180-Y220 HydrophobicContact CD1-CD1 4.06Å; Y180-Y220 HydrophobicContact CE1-CD1 4.18Å; Y180-S221 PolarHBondContact OH-O 2.99Å; Y180-S221 VanDerWaalsContact OH-O 3.07Å; Y180-F222 HydrophobicContact CD1-CB 3.92Å; Y180-F222 HydrophobicContact CD1-CD1 4.17Å; Y180-F222 HydrophobicContact CD1-CG 4.32Å; Y180-F222 HydrophobicContact CD2-CB 3.89Å; Y180-F222 HydrophobicContact CE1-CB 4.11Å; Y180-F222 HydrophobicContact CE2-CB 4.08Å; Y180-F222 HydrophobicContact CG-CB 3.82Å; Y180-F222 HydrophobicContact CG-CG 4.35Å
181P96.9Very high91.1Very high2 Ų233.4 Ų33.41%0.01318%0.181CC..SBendtrans-73.3-16.5-179.530-35.4000113.2I112 A113 F222 I235 L236 W239I112-P181 WeakPolarHBondContact CB-O 3.37Å; A113-P181 PolarHBondContact N-O 2.89Å; A113-P181 VanDerWaalsContact N-O 3.17Å; P181-F222 HydrophobicContact CG-CD2 4.4Å; P181-F222 HydrophobicContact CG-CE1 3.99Å; P181-F222 HydrophobicContact CG-CE2 3.61Å; P181-F222 HydrophobicContact CG-CZ 3.37Å; P181-I235 HydrophobicContact CB-CG2 4.17Å; P181-I235 WeakPolarHBondContact O-CG2 3.45Å; P181-L236 HydrophobicContact CB-CD2 4.43Å; P181-L236 HydrophobicContact CG-CD2 3.76Å; P181-W239 HydrophobicContact CB-CB 3.68Å; P181-W239 HydrophobicContact CB-CD2 4.4Å; P181-W239 HydrophobicContact CB-CG 3.69Å; P181-W239 HydrophobicContact CG-CB 4.15Å; P181-W239 HydrophobicContact CG-CD2 3.91Å; P181-W239 HydrophobicContact CG-CE3 4.44Å; P181-W239 HydrophobicContact CG-CG 3.73Å
182V97.6Very high90.2Very high3 Ų340.3 Ų40.32%0.01822%0.216CC..SBendtrans-140.374.5-179.8-169.10000110.4A113 V115 Y180 V224 L232 L236A113-V182 VanDerWaalsContact O-CA 3.31Å; A113-V182 WeakPolarHBondContact O-CA 3.4Å; V115-V182 HydrophobicContact CB-CG1 4.42Å; V115-V182 HydrophobicContact CG2-CG1 3.48Å; V115-V182 VanDerWaalsContact CG2-CG1 3.48Å; Y180-V182 PolarHBondContact O-N 2.89Å; V182-V224 HydrophobicContact CB-CG1 3.75Å; V182-V224 HydrophobicContact CG1-CG1 3.94Å; V182-V224 HydrophobicContact CG2-CG1 3.95Å; V182-L232 HydrophobicContact CG1-CD1 3.93Å; V182-L232 HydrophobicContact CG1-CD2 4.2Å; V182-L232 HydrophobicContact CG2-CD1 4.31Å; V182-L232 HydrophobicContact CG2-CD2 4.17Å; V182-L236 HydrophobicContact CG2-CD2 4.11Å
183P96.9Very high89.6Confident1 Ų146.6 Ų46.61%0.00625%0.25CC..  trans-64.1145.1174.2-2135.5000111.5I112 A113 F114 V115 I176 Y180I112-P183 HydrophobicContact CD1-CG 3.89Å; A113-P183 WeakPolarHBondContact O-CD 3.46Å; F114-P183 WeakPolarHBondContact CA-O 3.49Å; F114-P183 HydrophobicContact CD1-CB 4.16Å; F114-P183 HydrophobicContact CD1-CG 4.39Å; F114-P183 HydrophobicContact CE1-CB 4.27Å; F114-P183 HydrophobicContact CE1-CG 4.18Å; V115-P183 PolarHBondContact N-O 3.11Å; V115-P183 VanDerWaalsContact N-O 3.11Å; I176-P183 HydrophobicContact CG1-CB 4.36Å; I176-P183 HydrophobicContact CG1-CG 3.91Å; Y180-P183 WeakPolarHBondContact O-CD 3.47Å
184Y96.4Very high89.4Confident20 Ų2047.7 Ų47.78%0.07826%0.255CS..EExtended strand (participates in β ladder)trans-80.3151.5169.1-66.9-10.9000110.4V115 V117 T172 L196 S223 V224 L270V115-Y184 HydrophobicContact CB-CD1 3.95Å; V115-Y184 HydrophobicContact CB-CE1 4.25Å; V115-Y184 HydrophobicContact CG1-CD1 4.38Å; V115-Y184 HydrophobicContact CG1-CE1 4.44Å; V115-Y184 CarbonylContact O-C 3.58Å; V115-Y184 WeakPolarHBondContact O-CA 3.4Å; V117-Y184 HydrophobicContact CG1-CD1 4.27Å; V117-Y184 HydrophobicContact CG1-CD2 4.3Å; V117-Y184 HydrophobicContact CG1-CG 4.07Å; V117-Y184 HydrophobicContact CG2-CG 4.47Å; T172-Y184 VanDerWaalsContact CA-O 3.28Å; T172-Y184 WeakPolarHBondContact CA-O 3.5Å; T172-Y184 WeakPolarHBondContact CB-O 3.37Å; T172-Y184 PolarHBondContact OG1-O 2.96Å; Y184-L196 HydrophobicContact CD2-CD1 3.94Å; Y184-L196 HydrophobicContact CE2-CD1 3.51Å; Y184-S223 VanDerWaalsContact CE1-O 3.3Å; Y184-S223 WeakPolarHBondContact CE1-O 3.44Å; Y184-S223 VanDerWaalsContact CZ-O 3.26Å; Y184-S223 PolarHBondContact OH-O 3.29Å; Y184-S223 PolarHBondContact OH-OG 2.86Å; Y184-V224 WeakPolarHBondContact OH-CA 3.31Å; Y184-V224 PolarHBondContact OH-N 3.23Å; Y184-L270 HydrophobicContact CD2-CD2 3.72Å; Y184-L270 HydrophobicContact CE2-CD2 4.39Å
185T94.6Very high89.2Confident12 Ų1247.6 Ų47.67%0.07426%0.257CS..EExtended strand (participates in β ladder)trans-142.3152.1175.6-168.20000110.4F114 V115 D116 V117 L132 T172F114-T185 HydrophobicContact CB-CG2 4.34Å; V115-T185 PolarHBondContact O-N 3.03Å; D116-T185 WeakPolarHBondContact CA-O 3.19Å; D116-T185 HydrophobicContact CB-CG2 4.3Å; V117-T185 WeakPolarHBondContact CG2-O 3.24Å; V117-T185 PolarHBondContact N-O 2.93Å; L132-T185 HydrophobicContact CD1-CG2 4.06Å; L132-T185 HydrophobicContact CD2-CG2 3.77Å; T172-T185 VanDerWaalsContact OG1-CA 3.27Å; T172-T185 WeakPolarHBondContact OG1-CA 3.49Å; T172-T185 WeakPolarHBondContact OG1-CB 3.43Å; T172-T185 PolarHBondContact OG1-OG1 3.36Å
186F92.3Very high89.1Confident49 Ų4947.3 Ų47.322%0.21525%0.254CS..  trans-158.3164.1179.857.5-91.8000111.8V117 S118 N169 C171 L188 L270V117-F186 HydrophobicContact CG2-CB 4.28Å; V117-F186 HydrophobicContact CG2-CD1 4.31Å; S118-F186 VanDerWaalsContact OG-CA 3.28Å; S118-F186 WeakPolarHBondContact OG-CA 3.29Å; N169-F186 WeakPolarHBondContact ND2-CD1 3.35Å; N169-F186 WeakPolarHBondContact ND2-CD2 3.34Å; N169-F186 VanDerWaalsContact ND2-CE1 3.3Å; N169-F186 WeakPolarHBondContact ND2-CE1 3.4Å; N169-F186 VanDerWaalsContact ND2-CG 3.25Å; N169-F186 WeakPolarHBondContact ND2-CG 3.31Å; N169-F186 WeakPolarHBondContact ND2-CZ 3.45Å; N169-F186 PolarHBondContact ND2-N 3.14Å; N169-F186 PolarHBondContact ND2-O 2.94Å; N169-F186 VanDerWaalsContact OD1-CE1 3.3Å; N169-F186 WeakPolarHBondContact OD1-CE1 3.29Å; N169-F186 WeakPolarHBondContact OD1-CZ 3.44Å; C171-F186 HydrophobicContact CB-CE1 3.61Å; C171-F186 HydrophobicContact CB-CZ 4.18Å; F186-L188 HydrophobicContact CE2-CD2 4.05Å; F186-L270 HydrophobicContact CD1-CD1 3.87Å; F186-L270 HydrophobicContact CE1-CB 4.15Å; F186-L270 HydrophobicContact CE1-CD1 3.97Å
187H87.3Confident88.9Confident105 Ų10549.7 Ų49.749%0.48628%0.275SS..  trans-80.6117.8174.9-64.2-61.4000112S118 N189 Q190S118-H187 PolarHBondContact OG-CD2 2.81Å; S118-H187 PolarHBondContact OG-N 3.34Å; H187-N189 PolarHBondContact O-N 3.2Å; H187-N189 VanDerWaalsContact O-N 3.12Å; H187-Q190 HydrophobicContact CB-CG 4Å; H187-Q190 PolarHBondContact O-N 3.32Å
188L80.3Confident88.8Confident77 Ų7755.6 Ų55.640%0.40331%0.306SS..G310 helixtrans-57.9-26.2-176.5-71.7172.1000115.3D167 N169 F186 Q190D167-L188 VanDerWaalsContact C-CD1 3.45Å; D167-L188 WeakPolarHBondContact O-CD1 3.15Å; N169-L188 HydrophobicContact CB-CD2 4.25Å; N169-L188 HydrophobicContact CB-CG 4.41Å; F186-L188 HydrophobicContact CE2-CD2 4.05Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 3.41Å
189N71.8Confident88.7Confident166 Ų16656 Ų5689%0.88831%0.309SS*.G310 helixtrans-89.514.3-172.4-65.2-31.5000114.1H187H187-N189 PolarHBondContact O-N 3.2Å; H187-N189 VanDerWaalsContact O-N 3.12Å
190Q69.1Low88.8Confident73 Ų7358.7 Ų58.734%0.34133%0.326SS..G310 helixtrans-114.518-170.3-60.7-172.2-0.200115S119 C120 H187 L188S119-Q190 WeakPolarHBondContact OG-CB 3.31Å; S119-Q190 PolarHBondContact OG-O 2.96Å; C120-Q190 VanDerWaalsContact CB-OE1 3.31Å; C120-Q190 PolarHBondContact SG-OE1 3.1Å; H187-Q190 HydrophobicContact CB-CG 4Å; H187-Q190 PolarHBondContact O-N 3.32Å; L188-Q190 VanDerWaalsContact C-N 3.31Å; L188-Q190 PolarHBondContact O-N 3.41Å
191G67.9Low88.8Confident52 Ų5256.2 Ų56.254%0.53632%0.316SS..  trans84.9-175.6-179.200000113.5D193G191-D193 VanDerWaalsContact C-N 3.31Å
192D72.3Confident88.9Confident172 Ų17258 Ų5892%0.9232%0.323SS*.SBendtrans-85.1-2.1-175.5-60.3-25.6000113.5
193D82.9Confident88.9Confident135 Ų13559.1 Ų59.172%0.72233%0.33SS*.  trans-84156.9-178.5-73.7-33.5000112.5S119 G191S119-D193 WeakPolarHBondContact CB-O 3.42Å; G191-D193 VanDerWaalsContact C-N 3.31Å
194N91.3Very high89Confident24 Ų2460 Ų6013%0.12833%0.333CS..BIsolated β-bridgetrans-141.1165.5173.959.472.2000111.2V117 L196 V268 L270V117-N194 HydrophobicContact CG2-CB 4.47Å; V117-N194 WeakPolarHBondContact O-CA 3.27Å; V117-N194 VanDerWaalsContact O-CB 3.3Å; V117-N194 WeakPolarHBondContact O-CB 3.28Å; N194-L196 PolarHBondContact O-N 3.22Å; N194-L196 WeakPolarHBondContact OD1-CB 3.23Å; N194-L196 PolarHBondContact OD1-N 3.06Å; N194-V268 PolarHBondContact ND2-O 3.47Å; N194-L270 HydrophobicContact CB-CD1 3.84Å
195C93.1Very high89.1Confident20 Ų2059.5 Ų59.514%0.13533%0.332CS..THydrogen-bonded Turntrans-81.314.5-176.975.30000114.2V117 Q121 P124 T199V117-C195 VanDerWaalsContact CA-SG 3.6Å; V117-C195 PolarHBondContact O-N 3.15Å; Q121-C195 HydrophobicContact CB-CB 4.49Å; Q121-C195 VanDerWaalsContact O-CB 3.31Å; Q121-C195 WeakPolarHBondContact O-CB 3.45Å; P124-C195 VanDerWaalsContact N-SG 3.45Å; C195-T199 PolarHBondContact O-OG1 3.03Å
196L94.9Very high89.3Confident0 Ų059 Ų590%033%0.329CS..THydrogen-bonded Turntrans-93.2-4.9-175.1-56.1174.8000114V117 P124 Y184 N194 L198 T199 L201 P225 V268 L270V117-L196 HydrophobicContact CB-CD1 4.3Å; V117-L196 HydrophobicContact CB-CD2 4.28Å; V117-L196 HydrophobicContact CB-CG 4.11Å; V117-L196 HydrophobicContact CG1-CD1 4.07Å; V117-L196 HydrophobicContact CG1-CD2 3.75Å; V117-L196 HydrophobicContact CG1-CG 4.03Å; P124-L196 HydrophobicContact CB-CD2 4.12Å; P124-L196 HydrophobicContact CG-CD2 4.22Å; Y184-L196 HydrophobicContact CD2-CD1 3.94Å; Y184-L196 HydrophobicContact CE2-CD1 3.51Å; N194-L196 PolarHBondContact O-N 3.22Å; N194-L196 WeakPolarHBondContact OD1-CB 3.23Å; N194-L196 PolarHBondContact OD1-N 3.06Å; L196-L198 PolarHBondContact O-N 3.08Å; L196-T199 VanDerWaalsContact O-CB 3.27Å; L196-T199 WeakPolarHBondContact O-CB 3.25Å; L196-T199 PolarHBondContact O-N 2.62Å; L196-L201 HydrophobicContact CD2-CD2 4.23Å; L196-P225 HydrophobicContact CD2-CG 4.17Å; L196-V268 HydrophobicContact CB-CB 4.06Å; L196-V268 HydrophobicContact CB-CG2 3.78Å; L196-V268 HydrophobicContact CD1-CB 4.18Å; L196-V268 HydrophobicContact CD1-CG1 3.95Å; L196-V268 HydrophobicContact CD1-CG2 4.42Å; L196-L270 HydrophobicContact CD1-CD2 4.4Å
197A93.1Very high89.5Confident55 Ų5561.5 Ų61.546%0.45534%0.337SS..THydrogen-bonded Turntrans-53.4126.1176.800000110.9T199A197-T199 PolarHBondContact O-N 2.92Å
198L94.4Very high89.9Confident125 Ų12556.5 Ų56.565%0.65431%0.314SS*.THydrogen-bonded Turntrans56.513.3-177.2-56.5173.1000115L196 L265L196-L198 PolarHBondContact O-N 3.08Å; L198-L265 WeakPolarHBondContact CA-O 3.39Å; L198-L265 PolarHBondContact N-O 3.17Å
199T95.8Very high90.6Very high25 Ų2554.4 Ų54.415%0.15331%0.306CS..  trans-80.5128.2173.3-64.70000109P124 C195 L196 A197 L201 P225P124-T199 HydrophobicContact CG-CG2 4.23Å; C195-T199 PolarHBondContact O-OG1 3.03Å; L196-T199 VanDerWaalsContact O-CB 3.27Å; L196-T199 WeakPolarHBondContact O-CB 3.25Å; L196-T199 PolarHBondContact O-N 2.62Å; A197-T199 PolarHBondContact O-N 2.92Å; T199-L201 HydrophobicContact CG2-CD2 4.24Å; T199-L201 PolarHBondContact O-N 3.26Å; T199-P225 HydrophobicContact CG2-CB 4.26Å
200P97.7Very high91.5Very high60 Ų6048.2 Ų48.239%0.3927%0.27SS..EExtended strand (participates in β ladder)trans-62.9126.4171.9-21.933.4000111.1E226 I262 V263P200-E226 HydrophobicContact CB-CB 4.07Å; P200-E226 WeakPolarHBondContact O-CB 3.27Å; P200-E226 PolarHBondContact O-N 3.36Å; P200-I262 HydrophobicContact CB-CG2 4.08Å; P200-V263 WeakPolarHBondContact CA-O 3.41Å
201L98.4Very high92.3Very high4 Ų445.7 Ų45.72%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-114.1129.9179.4-57.5-176.4000109.7L196 T199 V224 P225 I262 V263 V268L196-L201 HydrophobicContact CD2-CD2 4.23Å; T199-L201 HydrophobicContact CG2-CD2 4.24Å; T199-L201 PolarHBondContact O-N 3.26Å; L201-V224 CarbonylContact C-O 3.54Å; L201-V224 WeakPolarHBondContact CA-O 3.39Å; L201-P225 HydrophobicContact CD2-CB 4.49Å; L201-P225 HydrophobicContact CD2-CG 4.39Å; L201-I262 CarbonylContact O-C 3.56Å; L201-I262 WeakPolarHBondContact O-CA 3.4Å; L201-V263 HydrophobicContact CB-CG2 4.22Å; L201-V263 PolarHBondContact N-O 3.15Å; L201-V263 PolarHBondContact O-N 3.25Å; L201-V268 HydrophobicContact CD1-CG2 3.9Å
202R98.4Very high93.1Very high40 Ų4051.9 Ų51.915%0.15128%0.279CS..EExtended strand (participates in β ladder)trans-86109.9166.6-177176.8-66.1-90.4-1109F204 S223 V224 E226 S260 E261R202-F204 HydrophobicContact CB-CE2 4.29Å; R202-F204 HydrophobicContact CG-CD2 4.24Å; R202-F204 HydrophobicContact CG-CE2 3.62Å; R202-F204 HydrophobicContact CG-CZ 3.92Å; R202-S223 CarbonylContact O-C 3.53Å; R202-S223 VanDerWaalsContact O-CA 3.24Å; R202-S223 WeakPolarHBondContact O-CA 3.49Å; R202-V224 HydrophobicContact CB-CG2 4.11Å; R202-V224 PolarHBondContact N-O 3.49Å; R202-V224 PolarHBondContact O-N 3.02Å; R202-E226 WeakPolarHBondContact CB-OE2 3.45Å; R202-E226 IonicContact CZ-OE1 3.85Å; R202-E226 IonicContact CZ-OE2 2.72Å; R202-E226 VanDerWaalsContact CZ-OE2 3.25Å; R202-E226 IonicContact NE-OE1 3.22Å; R202-E226 IonicContact NE-OE2 2.74Å; R202-E226 PolarHBondContact NE-OE2 3.19Å; R202-E226 VanDerWaalsContact NH2-CD 3.27Å; R202-E226 IonicContact NH2-OE1 3.71Å; R202-E226 PolarHBondContact NH2-OE1 3.36Å; R202-E226 IonicContact NH2-OE2 3.25Å; R202-E226 PolarHBondContact NH2-OE2 3.15Å; R202-S260 PolarHBondContact NH1-OG 3.27Å; R202-E261 CarbonylContact C-O 3.53Å; R202-E261 WeakPolarHBondContact CA-O 3.41Å
203V98.3Very high93.5Very high27 Ų2747.5 Ų47.516%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-87.7124.1176.5-176.70000108.4F222 S260 E261 V263V203-F222 CarbonylContact C-O 3.52Å; V203-F222 WeakPolarHBondContact CA-O 3.28Å; V203-S260 CarbonylContact O-C 3.57Å; V203-S260 WeakPolarHBondContact O-CA 3.35Å; V203-S260 WeakPolarHBondContact O-CB 3.44Å; V203-E261 HydrophobicContact CB-CG 4.3Å; V203-E261 PolarHBondContact N-O 3.01Å; V203-E261 PolarHBondContact O-N 3.16Å; V203-V263 HydrophobicContact CG2-CG1 4.39Å; V203-V263 HydrophobicContact CG2-CG2 3.66Å
204F98.5Very high93.7Very high20 Ų2046.2 Ų46.29%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-97.7136.2171.3-72.3-91.8000109.5R202 S221 F222 V224 F229 L236 S259R202-F204 HydrophobicContact CB-CE2 4.29Å; R202-F204 HydrophobicContact CG-CD2 4.24Å; R202-F204 HydrophobicContact CG-CE2 3.62Å; R202-F204 HydrophobicContact CG-CZ 3.92Å; F204-S221 WeakPolarHBondContact O-CA 3.46Å; F204-F222 HydrophobicContact CB-CD1 4.2Å; F204-F222 HydrophobicContact CB-CD2 4.37Å; F204-F222 HydrophobicContact CB-CE1 3.7Å; F204-F222 HydrophobicContact CB-CE2 3.88Å; F204-F222 HydrophobicContact CB-CZ 3.52Å; F204-F222 HydrophobicContact CD2-CD2 4.37Å; F204-F222 AromaticContact CD2-CE2 3.69Å; F204-F222 HydrophobicContact CD2-CE2 3.69Å; F204-F222 HydrophobicContact CD2-CZ 4.02Å; F204-F222 HydrophobicContact CG-CE1 4.45Å; F204-F222 AromaticContact CG-CE2 3.95Å; F204-F222 HydrophobicContact CG-CE2 3.95Å; F204-F222 AromaticContact CG-CZ 3.78Å; F204-F222 HydrophobicContact CG-CZ 3.78Å; F204-F222 PolarHBondContact N-O 3.4Å; F204-F222 PolarHBondContact O-N 2.97Å; F204-V224 HydrophobicContact CE2-CG2 3.91Å; F204-F229 HydrophobicContact CZ-CD2 4.11Å; F204-F229 AromaticContact CZ-CE2 3.71Å; F204-F229 HydrophobicContact CZ-CE2 3.71Å; F204-L236 HydrophobicContact CE2-CD1 3.88Å; F204-L236 HydrophobicContact CE2-CD2 4.28Å; F204-L236 HydrophobicContact CZ-CD1 3.74Å; F204-L236 HydrophobicContact CZ-CD2 4.47Å; F204-S259 WeakPolarHBondContact CA-O 3.44Å
205T98.4Very high93.6Very high9 Ų950 Ų506%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-132.2125.1175.7-62.20000110.5R207 L218 Y220 I258 S259T205-R207 HydrophobicContact CG2-CG 3.99Å; T205-R207 VanDerWaalsContact CG2-CZ 3.49Å; T205-L218 HydrophobicContact CG2-CD1 3.34Å; T205-Y220 WeakPolarHBondContact CA-O 3.31Å; T205-I258 WeakPolarHBondContact O-CA 3.34Å; T205-S259 PolarHBondContact N-O 3.49Å; T205-S259 PolarHBondContact O-N 3.19Å; T205-S259 PolarHBondContact O-OG 2.94Å
206A98.3Very high93.6Very high0 Ų052.1 Ų52.10%030%0.298CS..EExtended strand (participates in β ladder)trans-108.4128.3170.400000110.1L219 Y220 W239 L243 S257 I258A206-L219 HydrophobicContact CB-CB 4.44Å; A206-L219 PolarHBondContact O-N 3.42Å; A206-Y220 HydrophobicContact CB-CD2 4.06Å; A206-Y220 PolarHBondContact N-O 2.84Å; A206-Y220 PolarHBondContact O-N 3.34Å; A206-W239 HydrophobicContact CB-CH2 4.33Å; A206-L243 HydrophobicContact CB-CD2 4.14Å; A206-S257 CarbonylContact C-O 3.48Å; A206-S257 VanDerWaalsContact CA-O 3.27Å; A206-S257 WeakPolarHBondContact CA-O 3.3Å; A206-I258 HydrophobicContact CB-CG1 4.07Å
207R97.8Very high93.6Very high102 Ų10252.2 Ų52.239%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-127.6146.5178.3-72.6-179.8170.797.76.9111.4T205 P216 I217 L218 L256 S257T205-R207 HydrophobicContact CG2-CG 3.99Å; T205-R207 VanDerWaalsContact CG2-CZ 3.49Å; R207-P216 HydrophobicContact CB-CB 4.05Å; R207-I217 VanDerWaalsContact CA-O 3.25Å; R207-I217 WeakPolarHBondContact CA-O 3.42Å; R207-L218 HydrophobicContact CG-CD1 4.3Å; R207-L256 WeakPolarHBondContact O-CA 3.4Å; R207-S257 PolarHBondContact N-O 3.44Å; R207-S257 PolarHBondContact O-N 3.46Å; R207-S257 PolarHBondContact O-OG 3.01Å
208I96.3Very high93.7Very high0 Ų052.1 Ų52.10%029%0.29CS..EExtended strand (participates in β ladder)trans-133.5140.9178.159.1-175000110.7A45 L50 P216 I217 L219 F247 F253 L256A45-I208 HydrophobicContact CB-CD1 4.35Å; L50-I208 HydrophobicContact CD1-CD1 3.93Å; I208-P216 CarbonylContact O-C 3.57Å; I208-P216 VanDerWaalsContact O-CA 3.3Å; I208-P216 WeakPolarHBondContact O-CA 3.49Å; I208-P216 WeakPolarHBondContact O-CB 3.38Å; I208-I217 HydrophobicContact CG1-CB 4.1Å; I208-I217 HydrophobicContact CG1-CD1 4.42Å; I208-I217 PolarHBondContact N-O 3.12Å; I208-I217 VanDerWaalsContact N-O 3.13Å; I208-I217 PolarHBondContact O-N 3.41Å; I208-L219 HydrophobicContact CD1-CB 4.39Å; I208-L219 HydrophobicContact CD1-CD1 3.97Å; I208-L219 HydrophobicContact CD1-CD2 4.3Å; I208-L219 HydrophobicContact CD1-CG 4.45Å; I208-L219 HydrophobicContact CG2-CD2 4.34Å; I208-F247 HydrophobicContact CB-CE2 4.3Å; I208-F247 HydrophobicContact CG2-CD2 4.06Å; I208-F247 HydrophobicContact CG2-CE2 3.69Å; I208-F253 HydrophobicContact CB-CB 4.31Å; I208-F253 HydrophobicContact CB-CD1 4.23Å; I208-F253 HydrophobicContact CD1-CB 4.23Å; I208-F253 HydrophobicContact CD1-CD1 3.28Å; I208-F253 HydrophobicContact CD1-CD2 4.23Å; I208-F253 HydrophobicContact CD1-CE1 3.61Å; I208-F253 HydrophobicContact CD1-CE2 4.44Å; I208-F253 HydrophobicContact CD1-CG 3.67Å; I208-F253 HydrophobicContact CD1-CZ 4.17Å; I208-F253 HydrophobicContact CG1-CD1 3.67Å; I208-F253 HydrophobicContact CG1-CE1 4.19Å; I208-F253 HydrophobicContact CG1-CG 4.32Å; I208-L256 HydrophobicContact CG2-CB 4.19Å; I208-L256 HydrophobicContact CG2-CD1 3.62Å
209S94.3Very high93.7Very high34 Ų3446.2 Ų46.224%0.23826%0.259CS..EExtended strand (participates in β ladder)trans-87154.8170.6-63.40000109.9F253 A254 D255S209-F253 CarbonylContact O-C 3.58Å; S209-F253 WeakPolarHBondContact O-CA 3.32Å; S209-F253 WeakPolarHBondContact O-CB 3.37Å; S209-A254 WeakPolarHBondContact CB-O 3.26Å; S209-A254 PolarHBondContact N-O 2.92Å; S209-A254 PolarHBondContact O-N 2.82Å; S209-D255 PolarHBondContact OG-OD2 2.97Å
210W89.8Confident93.8Very high36 Ų3645.2 Ų45.214%0.13625%0.253CS..  trans-157.7-36.9-178.576-52.6000113.9L15 L37 A40 G41 L44 F78 I217 F253L15-W210 HydrophobicContact CD1-CH2 4.05Å; L37-W210 WeakPolarHBondContact O-CZ2 3.45Å; A40-W210 HydrophobicContact CB-CH2 3.89Å; G41-W210 VanDerWaalsContact CA-CH2 3.41Å; L44-W210 HydrophobicContact CD2-CE3 3.86Å; L44-W210 HydrophobicContact CD2-CZ3 3.9Å; F78-W210 HydrophobicContact CE2-CH2 4.4Å; F78-W210 AromaticContact CE2-CZ3 3.79Å; F78-W210 HydrophobicContact CE2-CZ3 3.79Å; F78-W210 HydrophobicContact CZ-CH2 4.06Å; F78-W210 AromaticContact CZ-CZ3 3.59Å; F78-W210 HydrophobicContact CZ-CZ3 3.59Å; W210-I217 HydrophobicContact CB-CD1 4.18Å; W210-I217 HydrophobicContact CD2-CD1 3.57Å; W210-I217 HydrophobicContact CE3-CD1 4.27Å; W210-I217 HydrophobicContact CG-CD1 3.48Å; W210-I217 VanDerWaalsContact CG-CD1 3.48Å; W210-I217 HydrophobicContact CG-CG1 4.39Å; W210-I217 HydrophobicContact CZ2-CD1 4.38Å; W210-F253 HydrophobicContact CB-CD1 3.41Å; W210-F253 VanDerWaalsContact CB-CD1 3.41Å; W210-F253 HydrophobicContact CB-CE1 3.64Å; W210-F253 HydrophobicContact CB-CG 4.38Å; W210-F253 HydrophobicContact CD2-CE1 4.24Å; W210-F253 HydrophobicContact CE3-CE1 4.11Å; W210-F253 HydrophobicContact CG-CD1 4.29Å; W210-F253 HydrophobicContact CG-CE1 4.09Å
211L87.2Confident93.8Very high20 Ų2044.8 Ų44.811%0.10525%0.251CS..SBendtrans-115127.5174.2-68.1175.6000110P10 P12 L37 G213 R214P10-L211 HydrophobicContact CB-CD2 4.39Å; P10-L211 HydrophobicContact CG-CD2 4.24Å; P12-L211 HydrophobicContact CB-CD1 4.34Å; P12-L211 HydrophobicContact CG-CD1 4.08Å; P12-L211 HydrophobicContact CG-CD2 4.49Å; L37-L211 HydrophobicContact CD2-CD1 4.29Å; L211-G213 PolarHBondContact O-N 3.45Å; L211-R214 HydrophobicContact CB-CB 3.88Å; L211-R214 HydrophobicContact CB-CG 3.55Å; L211-R214 HydrophobicContact CD1-CG 4.22Å; L211-R214 WeakPolarHBondContact O-CB 3.34Å; L211-R214 PolarHBondContact O-N 3.01Å; L211-R214 VanDerWaalsContact O-N 3.1Å
212L83.7Confident93.7Very high182 Ų18245.1 Ų45.195%0.95325%0.253SS*.THydrogen-bonded Turntrans-58.4130.3179.2-170.669.8000110.8R214L212-R214 PolarHBondContact O-N 3.22Å
213G81.8Confident93.7Very high79 Ų7944.4 Ų44.481%0.81425%0.253SS*.THydrogen-bonded Turntrans72.211.8179.600000114.8L211L211-G213 PolarHBondContact O-N 3.45Å
214R86.8Confident93.7Very high108 Ų10843.1 Ų43.141%0.40825%0.246SC..SBendtrans-105153.8172.8-59.3-59.1-179.9-179.1-3.5111.2L211 L212L211-R214 HydrophobicContact CB-CB 3.88Å; L211-R214 HydrophobicContact CB-CG 3.55Å; L211-R214 HydrophobicContact CD1-CG 4.22Å; L211-R214 WeakPolarHBondContact O-CB 3.34Å; L211-R214 PolarHBondContact O-N 3.01Å; L211-R214 VanDerWaalsContact O-N 3.1Å; L212-R214 PolarHBondContact O-N 3.22Å
215P89Confident93.6Very high104 Ų10442.1 Ų42.168%0.67524%0.241SC*.PPolyproline II helixtrans-56.5144.9171.4-23.734.3000111.3
216P93.2Very high93.6Very high64 Ų6444 Ų4442%0.41625%0.25SC..PPolyproline II helixtrans-58.8149.5170.5-22.533.2000111.6R207 I208R207-P216 HydrophobicContact CB-CB 4.05Å; I208-P216 CarbonylContact O-C 3.57Å; I208-P216 VanDerWaalsContact O-CA 3.3Å; I208-P216 WeakPolarHBondContact O-CA 3.49Å; I208-P216 WeakPolarHBondContact O-CB 3.38Å
217I93.9Very high93.6Very high2 Ų248.2 Ų48.21%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-79.7138.3172.6-61.9151.1000108.8E42 R207 I208 W210 L219 F253E42-I217 HydrophobicContact CG-CG2 3.67Å; R207-I217 VanDerWaalsContact CA-O 3.25Å; R207-I217 WeakPolarHBondContact CA-O 3.42Å; I208-I217 HydrophobicContact CG1-CB 4.1Å; I208-I217 HydrophobicContact CG1-CD1 4.42Å; I208-I217 PolarHBondContact N-O 3.12Å; I208-I217 VanDerWaalsContact N-O 3.13Å; I208-I217 PolarHBondContact O-N 3.41Å; W210-I217 HydrophobicContact CB-CD1 4.18Å; W210-I217 HydrophobicContact CD2-CD1 3.57Å; W210-I217 HydrophobicContact CE3-CD1 4.27Å; W210-I217 HydrophobicContact CG-CD1 3.48Å; W210-I217 VanDerWaalsContact CG-CD1 3.48Å; W210-I217 HydrophobicContact CG-CG1 4.39Å; W210-I217 HydrophobicContact CZ2-CD1 4.38Å; I217-L219 PolarHBondContact O-N 2.84Å; I217-F253 HydrophobicContact CD1-CD1 4.19Å; I217-F253 HydrophobicContact CD1-CE1 3.5Å; I217-F253 HydrophobicContact CD1-CZ 4.5Å
218L95.1Very high93.6Very high54 Ų5444.9 Ų44.928%0.28327%0.268SS..EExtended strand (participates in β ladder)trans-78.9103.4168.8-178.361.8000108.9H38 T205 R207 Y220H38-L218 PolarHBondContact NE2-N 2.81Å; T205-L218 HydrophobicContact CG2-CD1 3.34Å; R207-L218 HydrophobicContact CG-CD1 4.3Å; L218-Y220 WeakPolarHBondContact CD1-O 3.37Å
219L95.9Very high93.7Very high1 Ų146.2 Ų46.21%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-81-47.9-177-174.569.2000111.4A45 L50 K51 A206 I208 I217 L243A45-L219 HydrophobicContact CB-CD1 3.51Å; L50-L219 HydrophobicContact CB-CD1 4.17Å; L50-L219 HydrophobicContact CB-CD2 4.2Å; K51-L219 HydrophobicContact CB-CD1 4.3Å; K51-L219 HydrophobicContact CD-CD1 3.57Å; K51-L219 HydrophobicContact CD-CG 4.37Å; K51-L219 HydrophobicContact CG-CD1 3.99Å; K51-L219 PolarHBondContact NZ-O 3.47Å; A206-L219 HydrophobicContact CB-CB 4.44Å; A206-L219 PolarHBondContact O-N 3.42Å; I208-L219 HydrophobicContact CD1-CB 4.39Å; I208-L219 HydrophobicContact CD1-CD1 3.97Å; I208-L219 HydrophobicContact CD1-CD2 4.3Å; I208-L219 HydrophobicContact CD1-CG 4.45Å; I208-L219 HydrophobicContact CG2-CD2 4.34Å; I217-L219 PolarHBondContact O-N 2.84Å; L219-L243 HydrophobicContact CD2-CD1 3.81Å; L219-L243 HydrophobicContact CD2-CD2 4.33Å
220Y97.9Very high93.8Very high4 Ų448.9 Ų48.92%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-135141176.2-65.7-90.8000110.2L50 K51 L178 Y180 T205 A206 L218 W239 L243L50-Y220 PolarHBondContact O-OH 3.38Å; K51-Y220 WeakPolarHBondContact CA-OH 3.46Å; K51-Y220 HydrophobicContact CB-CE1 4.16Å; K51-Y220 HydrophobicContact CB-CE2 4.16Å; K51-Y220 VanDerWaalsContact CB-OH 3.28Å; K51-Y220 WeakPolarHBondContact CB-OH 3.11Å; L178-Y220 VanDerWaalsContact O-CE1 3.31Å; L178-Y220 WeakPolarHBondContact O-CE1 3.49Å; Y180-Y220 HydrophobicContact CD1-CD1 4.06Å; Y180-Y220 HydrophobicContact CE1-CD1 4.18Å; T205-Y220 WeakPolarHBondContact CA-O 3.31Å; A206-Y220 HydrophobicContact CB-CD2 4.06Å; A206-Y220 PolarHBondContact N-O 2.84Å; A206-Y220 PolarHBondContact O-N 3.34Å; L218-Y220 WeakPolarHBondContact CD1-O 3.37Å; Y220-W239 HydrophobicContact CD1-CZ2 4.16Å; Y220-W239 AromaticContact CD2-CZ2 3.78Å; Y220-W239 HydrophobicContact CD2-CZ2 3.78Å; Y220-W239 HydrophobicContact CE2-CZ2 4.24Å; Y220-W239 AromaticContact CG-CZ2 3.75Å; Y220-W239 HydrophobicContact CG-CZ2 3.75Å; Y220-L243 HydrophobicContact CD2-CD2 3.94Å; Y220-L243 HydrophobicContact CE2-CD1 3.88Å; Y220-L243 HydrophobicContact CE2-CD2 3.88Å
221S96.3Very high94.2Very high51 Ų5150.4 Ų50.436%0.35732%0.318SS..EExtended strand (participates in β ladder)trans-143.3109.7168.1-176.90000107.6Y180 F204Y180-S221 PolarHBondContact OH-O 2.99Å; Y180-S221 VanDerWaalsContact OH-O 3.07Å; F204-S221 WeakPolarHBondContact O-CA 3.46Å
222F97.5Very high94.6Very high11 Ų1149.6 Ų49.65%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-144.8165.917866.9-88.1000109.1Y180 P181 V203 F204 V224 L236 W239Y180-F222 HydrophobicContact CD1-CB 3.92Å; Y180-F222 HydrophobicContact CD1-CD1 4.17Å; Y180-F222 HydrophobicContact CD1-CG 4.32Å; Y180-F222 HydrophobicContact CD2-CB 3.89Å; Y180-F222 HydrophobicContact CE1-CB 4.11Å; Y180-F222 HydrophobicContact CE2-CB 4.08Å; Y180-F222 HydrophobicContact CG-CB 3.82Å; Y180-F222 HydrophobicContact CG-CG 4.35Å; P181-F222 HydrophobicContact CG-CD2 4.4Å; P181-F222 HydrophobicContact CG-CE1 3.99Å; P181-F222 HydrophobicContact CG-CE2 3.61Å; P181-F222 HydrophobicContact CG-CZ 3.37Å; V203-F222 CarbonylContact C-O 3.52Å; V203-F222 WeakPolarHBondContact CA-O 3.28Å; F204-F222 HydrophobicContact CB-CD1 4.2Å; F204-F222 HydrophobicContact CB-CD2 4.37Å; F204-F222 HydrophobicContact CB-CE1 3.7Å; F204-F222 HydrophobicContact CB-CE2 3.88Å; F204-F222 HydrophobicContact CB-CZ 3.52Å; F204-F222 HydrophobicContact CD2-CD2 4.37Å; F204-F222 AromaticContact CD2-CE2 3.69Å; F204-F222 HydrophobicContact CD2-CE2 3.69Å; F204-F222 HydrophobicContact CD2-CZ 4.02Å; F204-F222 HydrophobicContact CG-CE1 4.45Å; F204-F222 AromaticContact CG-CE2 3.95Å; F204-F222 HydrophobicContact CG-CE2 3.95Å; F204-F222 AromaticContact CG-CZ 3.78Å; F204-F222 HydrophobicContact CG-CZ 3.78Å; F204-F222 PolarHBondContact N-O 3.4Å; F204-F222 PolarHBondContact O-N 2.97Å; F222-V224 HydrophobicContact CD2-CG1 4.47Å; F222-V224 HydrophobicContact CE2-CG1 4.4Å; F222-L236 HydrophobicContact CE2-CD2 3.66Å; F222-L236 HydrophobicContact CZ-CD2 3.86Å; F222-W239 AromaticContact CE1-CH2 3.68Å; F222-W239 HydrophobicContact CE1-CH2 3.68Å; F222-W239 AromaticContact CE1-CZ2 3.73Å; F222-W239 HydrophobicContact CE1-CZ2 3.73Å; F222-W239 HydrophobicContact CE1-CZ3 4.1Å; F222-W239 HydrophobicContact CZ-CE3 4.35Å; F222-W239 HydrophobicContact CZ-CH2 4.21Å; F222-W239 HydrophobicContact CZ-CZ2 4.44Å; F222-W239 HydrophobicContact CZ-CZ3 4.15Å
223S97.8Very high95.3Very high24 Ų2447.1 Ų47.117%0.16829%0.291CS..EExtended strand (participates in β ladder)trans-132.4157.2179.370.20000112Y184 R202Y184-S223 VanDerWaalsContact CE1-O 3.3Å; Y184-S223 WeakPolarHBondContact CE1-O 3.44Å; Y184-S223 VanDerWaalsContact CZ-O 3.26Å; Y184-S223 PolarHBondContact OH-O 3.29Å; Y184-S223 PolarHBondContact OH-OG 2.86Å; R202-S223 CarbonylContact O-C 3.53Å; R202-S223 VanDerWaalsContact O-CA 3.24Å; R202-S223 WeakPolarHBondContact O-CA 3.49Å
224V97.9Very high96Very high0 Ų050.2 Ų50.20%028%0.284CS..EExtended strand (participates in β ladder)trans-131.5147.3170.6-57.10000109V182 Y184 L201 R202 F204 F222 E226 F229 L232V182-V224 HydrophobicContact CB-CG1 3.75Å; V182-V224 HydrophobicContact CG1-CG1 3.94Å; V182-V224 HydrophobicContact CG2-CG1 3.95Å; Y184-V224 WeakPolarHBondContact OH-CA 3.31Å; Y184-V224 PolarHBondContact OH-N 3.23Å; L201-V224 CarbonylContact C-O 3.54Å; L201-V224 WeakPolarHBondContact CA-O 3.39Å; R202-V224 HydrophobicContact CB-CG2 4.11Å; R202-V224 PolarHBondContact N-O 3.49Å; R202-V224 PolarHBondContact O-N 3.02Å; F204-V224 HydrophobicContact CE2-CG2 3.91Å; F222-V224 HydrophobicContact CD2-CG1 4.47Å; F222-V224 HydrophobicContact CE2-CG1 4.4Å; V224-E226 PolarHBondContact O-N 3.49Å; V224-F229 HydrophobicContact CG2-CB 4.48Å; V224-L232 HydrophobicContact CB-CD1 4.01Å; V224-L232 HydrophobicContact CG1-CD1 4.13Å
225P97.9Very high96.5Very high0 Ų047 Ų470%028%0.275CS..EExtended strand (participates in β ladder)trans-57.9128.2170.8-24.535.3000110.4V115 P124 L196 T199 L201 S227 L228 F229V115-P225 HydrophobicContact CG1-CG 4Å; P124-P225 HydrophobicContact CB-CB 4.22Å; P124-P225 HydrophobicContact CB-CG 3.64Å; P124-P225 HydrophobicContact CG-CB 3.6Å; P124-P225 HydrophobicContact CG-CG 3.56Å; L196-P225 HydrophobicContact CD2-CG 4.17Å; T199-P225 HydrophobicContact CG2-CB 4.26Å; L201-P225 HydrophobicContact CD2-CB 4.49Å; L201-P225 HydrophobicContact CD2-CG 4.39Å; P225-S227 PolarHBondContact O-N 3.23Å; P225-L228 HydrophobicContact CB-CB 4.47Å; P225-L228 HydrophobicContact CB-CD1 4.15Å; P225-L228 HydrophobicContact CB-CG 4.14Å; P225-L228 HydrophobicContact CG-CD1 4.03Å; P225-L228 PolarHBondContact O-N 3.18Å; P225-F229 PolarHBondContact O-N 3.24Å
226E98.1Very high96.9Very high49 Ų4942.2 Ų42.223%0.22924%0.244CC..G310 helixtrans-60.3-32.9-175.7176.258.8-17100111.6P200 R202 V224 L228 F229 I262P200-E226 HydrophobicContact CB-CB 4.07Å; P200-E226 WeakPolarHBondContact O-CB 3.27Å; P200-E226 PolarHBondContact O-N 3.36Å; R202-E226 WeakPolarHBondContact CB-OE2 3.45Å; R202-E226 IonicContact CZ-OE1 3.85Å; R202-E226 IonicContact CZ-OE2 2.72Å; R202-E226 VanDerWaalsContact CZ-OE2 3.25Å; R202-E226 IonicContact NE-OE1 3.22Å; R202-E226 IonicContact NE-OE2 2.74Å; R202-E226 PolarHBondContact NE-OE2 3.19Å; R202-E226 VanDerWaalsContact NH2-CD 3.27Å; R202-E226 IonicContact NH2-OE1 3.71Å; R202-E226 PolarHBondContact NH2-OE1 3.36Å; R202-E226 IonicContact NH2-OE2 3.25Å; R202-E226 PolarHBondContact NH2-OE2 3.15Å; V224-E226 PolarHBondContact O-N 3.49Å; E226-L228 PolarHBondContact O-N 3.12Å; E226-F229 WeakPolarHBondContact O-CB 3.39Å; E226-F229 PolarHBondContact O-N 3.3Å; E226-I262 HydrophobicContact CG-CD1 4.13Å
227S97.4Very high97.1Very high87 Ų8743.4 Ų43.461%0.60825%0.246SC*.G310 helixtrans-60.3-28.9174.855.40000113.4P225P225-S227 PolarHBondContact O-N 3.23Å
228L98.1Very high97.3Very high32 Ų3245.8 Ų45.817%0.16826%0.261CS..G310 helixtrans-94.8-12.3-179.2-57.9-179.4000112.8V115 P124 V126 P225 E226 P230 G231 L232V115-L228 HydrophobicContact CG1-CD1 3.76Å; V115-L228 HydrophobicContact CG2-CD1 3.96Å; P124-L228 HydrophobicContact CB-CD1 4.24Å; V126-L228 HydrophobicContact CG2-CB 4.4Å; V126-L228 HydrophobicContact CG2-CD1 4.04Å; V126-L228 HydrophobicContact CG2-CD2 4.31Å; V126-L228 HydrophobicContact CG2-CG 4.49Å; P225-L228 HydrophobicContact CB-CB 4.47Å; P225-L228 HydrophobicContact CB-CD1 4.15Å; P225-L228 HydrophobicContact CB-CG 4.14Å; P225-L228 HydrophobicContact CG-CD1 4.03Å; P225-L228 PolarHBondContact O-N 3.18Å; E226-L228 PolarHBondContact O-N 3.12Å; L228-P230 VanDerWaalsContact C-CD 3.47Å; L228-G231 PolarHBondContact O-N 2.97Å; L228-L232 HydrophobicContact CB-CD1 3.9Å; L228-L232 HydrophobicContact CB-CG 4.48Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 3.38Å; L228-L232 VanDerWaalsContact O-N 3.11Å
229F97.9Very high97.4Very high29 Ų2944.3 Ų44.313%0.12725%0.252CS..Hα-helixtrans-53.3-42.4-176.7174.2-117.2000114.2F204 V224 P225 E226 G231 L232 R233 L236F204-F229 HydrophobicContact CZ-CD2 4.11Å; F204-F229 AromaticContact CZ-CE2 3.71Å; F204-F229 HydrophobicContact CZ-CE2 3.71Å; V224-F229 HydrophobicContact CG2-CB 4.48Å; P225-F229 PolarHBondContact O-N 3.24Å; E226-F229 WeakPolarHBondContact O-CB 3.39Å; E226-F229 PolarHBondContact O-N 3.3Å; F229-G231 VanDerWaalsContact C-N 3.28Å; F229-G231 PolarHBondContact O-N 3.04Å; F229-L232 PolarHBondContact O-N 3.4Å; F229-L232 VanDerWaalsContact O-N 3.15Å; F229-R233 PolarHBondContact O-N 3.09Å; F229-L236 HydrophobicContact CD2-CD1 3.62Å; F229-L236 HydrophobicContact CE2-CD1 3.64Å
230P97.4Very high97.5Very high90 Ų9047 Ų4758%0.58426%0.264SS*.Hα-helixtrans-57-40176.9-26.436000113.4L228L228-P230 VanDerWaalsContact C-CD 3.47Å
231G96.8Very high97.5Very high68 Ų6853.6 Ų53.670%0.70129%0.293SS*.Hα-helixtrans-74.6-28.4178.300000113.6L228 F229L228-G231 PolarHBondContact O-N 2.97Å; F229-G231 VanDerWaalsContact C-N 3.28Å; F229-G231 PolarHBondContact O-N 3.04Å
232L97.1Very high97.5Very high2 Ų254.6 Ų54.61%0.0130%0.295CS..Hα-helixtrans-89.1-7.7-178.7-64.6169.8000113.7A113 V115 V126 V182 V224 L228 F229 H234 I235 L236A113-L232 HydrophobicContact CB-CD2 3.61Å; V115-L232 HydrophobicContact CG2-CD1 4.24Å; V126-L232 HydrophobicContact CG2-CD2 4.02Å; V126-L232 HydrophobicContact CG2-CG 4.36Å; V182-L232 HydrophobicContact CG1-CD1 3.93Å; V182-L232 HydrophobicContact CG1-CD2 4.2Å; V182-L232 HydrophobicContact CG2-CD1 4.31Å; V182-L232 HydrophobicContact CG2-CD2 4.17Å; V224-L232 HydrophobicContact CB-CD1 4.01Å; V224-L232 HydrophobicContact CG1-CD1 4.13Å; L228-L232 HydrophobicContact CB-CD1 3.9Å; L228-L232 HydrophobicContact CB-CG 4.48Å; L228-L232 WeakPolarHBondContact O-CG 3.45Å; L228-L232 PolarHBondContact O-N 3.38Å; L228-L232 VanDerWaalsContact O-N 3.11Å; F229-L232 PolarHBondContact O-N 3.4Å; F229-L232 VanDerWaalsContact O-N 3.15Å; L232-H234 VanDerWaalsContact C-N 3.29Å; L232-H234 PolarHBondContact O-N 3.18Å; L232-I235 PolarHBondContact O-N 3.11Å; L232-I235 VanDerWaalsContact O-N 3.11Å; L232-L236 HydrophobicContact CB-CD1 4.12Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.45Å
233R97Very high97.5Very high130 Ų13054.1 Ų54.149%0.49129%0.292SS..Hα-helixtrans-54.2-40.9-173-175.3-179.3-65.3-125.70.1113.6F229 N237F229-R233 PolarHBondContact O-N 3.09Å; R233-N237 WeakPolarHBondContact O-CB 3.48Å; R233-N237 PolarHBondContact O-N 2.71Å; R233-N237 PolarHBondContact O-ND2 3.42Å
234H97.3Very high97.5Very high144 Ų14456.6 Ų56.667%0.66730%0.298SS*.Hα-helixtrans-63.1-46.2-179.7-179.266.5000111.7L232 N237 T238L232-H234 VanDerWaalsContact C-N 3.29Å; L232-H234 PolarHBondContact O-N 3.18Å; H234-N237 PolarHBondContact O-N 2.93Å; H234-T238 PolarHBondContact O-N 3.29Å; H234-T238 PolarHBondContact O-OG1 3.11Å; H234-T238 VanDerWaalsContact O-OG1 3.09Å
235I96.8Very high97.5Very high40 Ų4059.8 Ų59.821%0.20532%0.317CS..Hα-helixtrans-63.4-45.3179.7-64.5173.4000110.4A113 P181 L232 N237 T238 W239A113-I235 HydrophobicContact CB-CD1 3.29Å; P181-I235 HydrophobicContact CB-CG2 4.17Å; P181-I235 WeakPolarHBondContact O-CG2 3.45Å; L232-I235 PolarHBondContact O-N 3.11Å; L232-I235 VanDerWaalsContact O-N 3.11Å; I235-N237 PolarHBondContact O-N 2.8Å; I235-T238 PolarHBondContact O-N 3.16Å; I235-W239 WeakPolarHBondContact O-CB 3.44Å; I235-W239 PolarHBondContact O-N 3.1Å
236L97.8Very high97.4Very high5 Ų563.9 Ų63.93%0.02633%0.333CS..Hα-helixtrans-63.3-41177.9-66.1167.2000112.3P181 V182 F204 F222 F229 L232 W239 E240P181-L236 HydrophobicContact CB-CD2 4.43Å; P181-L236 HydrophobicContact CG-CD2 3.76Å; V182-L236 HydrophobicContact CG2-CD2 4.11Å; F204-L236 HydrophobicContact CE2-CD1 3.88Å; F204-L236 HydrophobicContact CE2-CD2 4.28Å; F204-L236 HydrophobicContact CZ-CD1 3.74Å; F204-L236 HydrophobicContact CZ-CD2 4.47Å; F222-L236 HydrophobicContact CE2-CD2 3.66Å; F222-L236 HydrophobicContact CZ-CD2 3.86Å; F229-L236 HydrophobicContact CD2-CD1 3.62Å; F229-L236 HydrophobicContact CE2-CD1 3.64Å; L232-L236 HydrophobicContact CB-CD1 4.12Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.45Å; L236-W239 PolarHBondContact O-N 3.35Å; L236-E240 WeakPolarHBondContact O-CB 3.36Å; L236-E240 PolarHBondContact O-N 3.14Å
237N97.8Very high97.4Very high88 Ų8863 Ų6347%0.47133%0.329SS..Hα-helixtrans-66.1-39.4176.4-73.2-12.2000112.2R233 H234 I235 E240 K241R233-N237 WeakPolarHBondContact O-CB 3.48Å; R233-N237 PolarHBondContact O-N 2.71Å; R233-N237 PolarHBondContact O-ND2 3.42Å; H234-N237 PolarHBondContact O-N 2.93Å; I235-N237 PolarHBondContact O-N 2.8Å; N237-E240 PolarHBondContact O-N 3.46Å; N237-K241 WeakPolarHBondContact O-CB 3.39Å; N237-K241 PolarHBondContact O-N 2.91Å
238T97.3Very high97.3Very high52 Ų5267.7 Ų67.732%0.31933%0.333SS..Hα-helixtrans-63.9-49.2175.6-630000110.4H234 I235 E240 K241 D242H234-T238 PolarHBondContact O-N 3.29Å; H234-T238 PolarHBondContact O-OG1 3.11Å; H234-T238 VanDerWaalsContact O-OG1 3.09Å; I235-T238 PolarHBondContact O-N 3.16Å; T238-E240 VanDerWaalsContact C-N 3.34Å; T238-E240 PolarHBondContact O-N 3.49Å; T238-K241 PolarHBondContact O-N 3.25Å; T238-K241 VanDerWaalsContact O-N 3.14Å; T238-D242 WeakPolarHBondContact O-CB 3.38Å; T238-D242 VanDerWaalsContact O-CG 3.27Å; T238-D242 PolarHBondContact O-N 2.94Å
239W97.3Very high97.1Very high24 Ų2471.7 Ų71.79%0.09136%0.359CS..Hα-helixtrans-55.7-45.5174.4167.887.3000112.7P181 A206 Y220 F222 I235 L236 K241 D242 L243 I258P181-W239 HydrophobicContact CB-CB 3.68Å; P181-W239 HydrophobicContact CB-CD2 4.4Å; P181-W239 HydrophobicContact CB-CG 3.69Å; P181-W239 HydrophobicContact CG-CB 4.15Å; P181-W239 HydrophobicContact CG-CD2 3.91Å; P181-W239 HydrophobicContact CG-CE3 4.44Å; P181-W239 HydrophobicContact CG-CG 3.73Å; A206-W239 HydrophobicContact CB-CH2 4.33Å; Y220-W239 HydrophobicContact CD1-CZ2 4.16Å; Y220-W239 AromaticContact CD2-CZ2 3.78Å; Y220-W239 HydrophobicContact CD2-CZ2 3.78Å; Y220-W239 HydrophobicContact CE2-CZ2 4.24Å; Y220-W239 AromaticContact CG-CZ2 3.75Å; Y220-W239 HydrophobicContact CG-CZ2 3.75Å; F222-W239 AromaticContact CE1-CH2 3.68Å; F222-W239 HydrophobicContact CE1-CH2 3.68Å; F222-W239 AromaticContact CE1-CZ2 3.73Å; F222-W239 HydrophobicContact CE1-CZ2 3.73Å; F222-W239 HydrophobicContact CE1-CZ3 4.1Å; F222-W239 HydrophobicContact CZ-CE3 4.35Å; F222-W239 HydrophobicContact CZ-CH2 4.21Å; F222-W239 HydrophobicContact CZ-CZ2 4.44Å; F222-W239 HydrophobicContact CZ-CZ3 4.15Å; I235-W239 WeakPolarHBondContact O-CB 3.44Å; I235-W239 PolarHBondContact O-N 3.1Å; L236-W239 PolarHBondContact O-N 3.35Å; W239-K241 PolarHBondContact O-N 3.37Å; W239-D242 PolarHBondContact O-N 3.22Å; W239-L243 HydrophobicContact CH2-CD2 4.02Å; W239-L243 HydrophobicContact CZ2-CD2 3.82Å; W239-L243 WeakPolarHBondContact O-CB 3.36Å; W239-L243 PolarHBondContact O-N 3.1Å; W239-I258 HydrophobicContact CZ3-CG2 4.25Å
240E98.1Very high96.9Very high57 Ų5771.5 Ų71.527%0.26636%0.358SS..Hα-helixtrans-61.4-45.3176.8167167.1-17700111.4L236 N237 T238 D242 L243 R244 I258L236-E240 WeakPolarHBondContact O-CB 3.36Å; L236-E240 PolarHBondContact O-N 3.14Å; N237-E240 PolarHBondContact O-N 3.46Å; T238-E240 VanDerWaalsContact C-N 3.34Å; T238-E240 PolarHBondContact O-N 3.49Å; E240-D242 VanDerWaalsContact C-N 3.34Å; E240-D242 PolarHBondContact O-N 3.44Å; E240-L243 PolarHBondContact O-N 3.24Å; E240-R244 HydrophobicContact CG-CG 4.46Å; E240-R244 WeakPolarHBondContact O-CB 3.3Å; E240-R244 VanDerWaalsContact O-CG 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.49Å; E240-R244 PolarHBondContact O-N 3.05Å; E240-R244 IonicContact OE1-CZ 2.81Å; E240-R244 VanDerWaalsContact OE1-CZ 3.22Å; E240-R244 IonicContact OE1-NE 2.58Å; E240-R244 PolarHBondContact OE1-NE 2.81Å; E240-R244 IonicContact OE1-NH2 3.69Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; E240-I258 HydrophobicContact CB-CD1 4.27Å; E240-I258 HydrophobicContact CG-CD1 3.67Å
241K97.9Very high96.6Very high142 Ų14273 Ų7362%0.61736%0.361SS*.Hα-helixtrans-62.1-43.1179-178.2-176.6173.7-170.80111.4N237 T238 W239 R244 T245N237-K241 WeakPolarHBondContact O-CB 3.39Å; N237-K241 PolarHBondContact O-N 2.91Å; T238-K241 PolarHBondContact O-N 3.25Å; T238-K241 VanDerWaalsContact O-N 3.14Å; W239-K241 PolarHBondContact O-N 3.37Å; K241-R244 PolarHBondContact O-N 3.28Å; K241-T245 WeakPolarHBondContact O-CB 3.41Å; K241-T245 PolarHBondContact O-N 2.94Å; K241-T245 PolarHBondContact O-OG1 2.87Å
242D96.6Very high96.4Very high73 Ų7371.6 Ų71.639%0.3934%0.338SS..Hα-helixtrans-67.6-44.4179.7-67.8-14000110.8T238 W239 E240 R244 T245 R246T238-D242 WeakPolarHBondContact O-CB 3.38Å; T238-D242 VanDerWaalsContact O-CG 3.27Å; T238-D242 PolarHBondContact O-N 2.94Å; W239-D242 PolarHBondContact O-N 3.22Å; E240-D242 VanDerWaalsContact C-N 3.34Å; E240-D242 PolarHBondContact O-N 3.44Å; D242-R244 PolarHBondContact O-N 2.88Å; D242-T245 WeakPolarHBondContact O-CA 3.5Å; D242-T245 WeakPolarHBondContact O-CB 3.44Å; D242-T245 PolarHBondContact O-N 3Å; D242-R246 PolarHBondContact O-N 3.05Å
243L97.6Very high96.3Very high0 Ų072 Ų720%034%0.34CS..Hα-helixtrans-58.8-46.2174.3177.957000111.5A206 L219 Y220 W239 E240 T245 R246 F247 L256 I258A206-L243 HydrophobicContact CB-CD2 4.14Å; L219-L243 HydrophobicContact CD2-CD1 3.81Å; L219-L243 HydrophobicContact CD2-CD2 4.33Å; Y220-L243 HydrophobicContact CD2-CD2 3.94Å; Y220-L243 HydrophobicContact CE2-CD1 3.88Å; Y220-L243 HydrophobicContact CE2-CD2 3.88Å; W239-L243 HydrophobicContact CH2-CD2 4.02Å; W239-L243 HydrophobicContact CZ2-CD2 3.82Å; W239-L243 WeakPolarHBondContact O-CB 3.36Å; W239-L243 PolarHBondContact O-N 3.1Å; E240-L243 PolarHBondContact O-N 3.24Å; L243-T245 PolarHBondContact O-N 3.26Å; L243-R246 PolarHBondContact O-N 3.41Å; L243-F247 VanDerWaalsContact O-CB 3.25Å; L243-F247 WeakPolarHBondContact O-CB 3.29Å; L243-F247 PolarHBondContact O-N 3.28Å; L243-L256 HydrophobicContact CD2-CD1 4.35Å; L243-L256 HydrophobicContact CG-CD2 4.13Å; L243-I258 HydrophobicContact CD2-CD1 4.12Å
244R98.1Very high96.2Very high77 Ų7768 Ų6829%0.29133%0.334SS..Hα-helixtrans-62.7-31.1175.3-73.5-179.9-176.4-70.50.9112.5E240 K241 D242 R248 L256E240-R244 HydrophobicContact CG-CG 4.46Å; E240-R244 WeakPolarHBondContact O-CB 3.3Å; E240-R244 VanDerWaalsContact O-CG 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.49Å; E240-R244 PolarHBondContact O-N 3.05Å; E240-R244 IonicContact OE1-CZ 2.81Å; E240-R244 VanDerWaalsContact OE1-CZ 3.22Å; E240-R244 IonicContact OE1-NE 2.58Å; E240-R244 PolarHBondContact OE1-NE 2.81Å; E240-R244 IonicContact OE1-NH2 3.69Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; K241-R244 PolarHBondContact O-N 3.28Å; D242-R244 PolarHBondContact O-N 2.88Å; R244-R248 VanDerWaalsContact O-CG 3.31Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 2.93Å; R244-L256 HydrophobicContact CB-CD2 4.48Å; R244-L256 HydrophobicContact CG-CD2 3.83Å
245T97.3Very high96Very high66 Ų6666.8 Ų66.841%0.40533%0.332SS..Hα-helixtrans-70.9-51.4177.3-59.40000110.5K241 D242 L243 F247 R248K241-T245 WeakPolarHBondContact O-CB 3.41Å; K241-T245 PolarHBondContact O-N 2.94Å; K241-T245 PolarHBondContact O-OG1 2.87Å; D242-T245 WeakPolarHBondContact O-CA 3.5Å; D242-T245 WeakPolarHBondContact O-CB 3.44Å; D242-T245 PolarHBondContact O-N 3Å; L243-T245 PolarHBondContact O-N 3.26Å; T245-F247 VanDerWaalsContact C-N 3.26Å; T245-F247 PolarHBondContact O-N 2.98Å; T245-R248 PolarHBondContact O-N 3.23Å; T245-R248 VanDerWaalsContact O-N 3.08Å
246R96.1Very high96.1Very high86 Ų8665.8 Ų65.833%0.32533%0.327SS..Hα-helixtrans-60.2-35.5174.1-62.8-168.7-59.7-1150.6112.4G49 L50 D242 L243 R248 T249G49-R246 VanDerWaalsContact O-CD 3.23Å; G49-R246 WeakPolarHBondContact O-CD 3.33Å; G49-R246 PolarHBondContact O-NE 3.15Å; G49-R246 VanDerWaalsContact O-NE 3.14Å; L50-R246 HydrophobicContact CD2-CB 4.21Å; D242-R246 PolarHBondContact O-N 3.05Å; L243-R246 PolarHBondContact O-N 3.41Å; R246-R248 VanDerWaalsContact C-N 3.27Å; R246-R248 PolarHBondContact O-N 3.46Å; R246-T249 PolarHBondContact O-N 3.4Å; R246-T249 PolarHBondContact O-OG1 3.5Å
247F97.3Very high96Very high32 Ų3268.4 Ų68.414%0.1435%0.346CS..Hα-helixtrans-62.6-31.9175.7-175.8-95.7000113.4L50 I208 L243 T245 T249 Q250 F253 L256L50-F247 HydrophobicContact CD1-CD2 4.32Å; L50-F247 HydrophobicContact CD2-CB 4.27Å; L50-F247 HydrophobicContact CD2-CD2 4.46Å; I208-F247 HydrophobicContact CB-CE2 4.3Å; I208-F247 HydrophobicContact CG2-CD2 4.06Å; I208-F247 HydrophobicContact CG2-CE2 3.69Å; L243-F247 VanDerWaalsContact O-CB 3.25Å; L243-F247 WeakPolarHBondContact O-CB 3.29Å; L243-F247 PolarHBondContact O-N 3.28Å; T245-F247 VanDerWaalsContact C-N 3.26Å; T245-F247 PolarHBondContact O-N 2.98Å; F247-T249 VanDerWaalsContact C-N 3.32Å; F247-Q250 WeakPolarHBondContact O-CG 3.46Å; F247-Q250 PolarHBondContact O-NE2 3.44Å; F247-F253 HydrophobicContact CE2-CB 3.68Å; F247-F253 HydrophobicContact CZ-CB 4.34Å; F247-L256 HydrophobicContact CB-CD2 3.75Å; F247-L256 HydrophobicContact CD1-CB 3.76Å; F247-L256 HydrophobicContact CD1-CD2 4.23Å; F247-L256 HydrophobicContact CD2-CB 3.82Å; F247-L256 HydrophobicContact CD2-CD2 4.23Å; F247-L256 HydrophobicContact CD2-CG 4.46Å; F247-L256 HydrophobicContact CE1-CB 3.75Å; F247-L256 HydrophobicContact CE2-CB 3.8Å; F247-L256 HydrophobicContact CG-CB 3.79Å; F247-L256 HydrophobicContact CG-CD2 3.79Å; F247-L256 HydrophobicContact CG-CG 4.38Å; F247-L256 HydrophobicContact CZ-CB 3.77Å
248R96.8Very high96Very high184 Ų18465.8 Ų65.869%0.69433%0.332SS*.Hα-helixtrans-77.9-15178-70.6169-172.8136.8-1.4113.5R244 T245 R246R244-R248 VanDerWaalsContact O-CG 3.31Å; R244-R248 WeakPolarHBondContact O-CG 3.48Å; R244-R248 PolarHBondContact O-N 2.93Å; T245-R248 PolarHBondContact O-N 3.23Å; T245-R248 VanDerWaalsContact O-N 3.08Å; R246-R248 VanDerWaalsContact C-N 3.27Å; R246-R248 PolarHBondContact O-N 3.46Å
249T94.2Very high96.1Very high116 Ų11666.2 Ų66.271%0.71234%0.337SS*.THydrogen-bonded Turntrans-90.91.3-178.960.10000113.4R246 F247R246-T249 PolarHBondContact O-N 3.4Å; R246-T249 PolarHBondContact O-OG1 3.5Å; F247-T249 VanDerWaalsContact C-N 3.32Å
250Q92.4Very high96.1Very high26 Ų2667.6 Ų67.612%0.12135%0.35CS..  trans-121163.8178.965.170.440.600111.2R48 L50 F247 F253R48-Q250 HydrophobicContact CB-CB 4.36Å; L50-Q250 HydrophobicContact CD1-CG 4.24Å; L50-Q250 HydrophobicContact CD2-CG 3.98Å; L50-Q250 HydrophobicContact CG-CG 4.4Å; F247-Q250 WeakPolarHBondContact O-CG 3.46Å; F247-Q250 PolarHBondContact O-NE2 3.44Å; Q250-F253 PolarHBondContact NE2-O 3.37Å
251N91.7Very high96.1Very high121 Ų12170.7 Ų70.765%0.64737%0.365SS*.SBendtrans-130.97.2-176.263.3-27.9000114.9
252D92Very high96.1Very high38 Ų3868 Ų6820%0.20336%0.357CS..SBendtrans-89-22.6178.3-66.3-44.2000113.4L44 R48L44-D252 HydrophobicContact CD2-CB 3.85Å; R48-D252 IonicContact CZ-OD2 3.88Å; R48-D252 IonicContact NE-OD2 2.88Å; R48-D252 PolarHBondContact NE-OD2 2.79Å; R48-D252 IonicContact NH2-OD1 2.76Å; R48-D252 IonicContact NH2-OD2 3.24Å; R48-D252 PolarHBondContact NH2-OD2 3.29Å
253F94.9Very high96.2Very high12 Ų1266.6 Ų66.65%0.05335%0.35CS..  trans-118.6147-175.6-58.3-83.8000111.9L44 A45 R48 L50 I208 S209 W210 I217 F247 Q250L44-F253 HydrophobicContact CB-CE2 4.44Å; L44-F253 HydrophobicContact CB-CZ 3.9Å; L44-F253 HydrophobicContact CD2-CE2 4.1Å; L44-F253 HydrophobicContact CD2-CZ 3.79Å; L44-F253 HydrophobicContact CG-CE2 3.87Å; L44-F253 HydrophobicContact CG-CZ 3.73Å; A45-F253 HydrophobicContact CB-CE2 4.28Å; A45-F253 HydrophobicContact CB-CZ 4.01Å; R48-F253 HydrophobicContact CG-CE2 4.37Å; L50-F253 HydrophobicContact CD1-CD2 3.52Å; L50-F253 HydrophobicContact CD1-CE2 3.9Å; L50-F253 HydrophobicContact CD1-CG 4.13Å; I208-F253 HydrophobicContact CB-CB 4.31Å; I208-F253 HydrophobicContact CB-CD1 4.23Å; I208-F253 HydrophobicContact CD1-CB 4.23Å; I208-F253 HydrophobicContact CD1-CD1 3.28Å; I208-F253 HydrophobicContact CD1-CD2 4.23Å; I208-F253 HydrophobicContact CD1-CE1 3.61Å; I208-F253 HydrophobicContact CD1-CE2 4.44Å; I208-F253 HydrophobicContact CD1-CG 3.67Å; I208-F253 HydrophobicContact CD1-CZ 4.17Å; I208-F253 HydrophobicContact CG1-CD1 3.67Å; I208-F253 HydrophobicContact CG1-CE1 4.19Å; I208-F253 HydrophobicContact CG1-CG 4.32Å; S209-F253 CarbonylContact O-C 3.58Å; S209-F253 WeakPolarHBondContact O-CA 3.32Å; S209-F253 WeakPolarHBondContact O-CB 3.37Å; W210-F253 HydrophobicContact CB-CD1 3.41Å; W210-F253 VanDerWaalsContact CB-CD1 3.41Å; W210-F253 HydrophobicContact CB-CE1 3.64Å; W210-F253 HydrophobicContact CB-CG 4.38Å; W210-F253 HydrophobicContact CD2-CE1 4.24Å; W210-F253 HydrophobicContact CE3-CE1 4.11Å; W210-F253 HydrophobicContact CG-CD1 4.29Å; W210-F253 HydrophobicContact CG-CE1 4.09Å; I217-F253 HydrophobicContact CD1-CD1 4.19Å; I217-F253 HydrophobicContact CD1-CE1 3.5Å; I217-F253 HydrophobicContact CD1-CZ 4.5Å; F247-F253 HydrophobicContact CE2-CB 3.68Å; F247-F253 HydrophobicContact CZ-CB 4.34Å; Q250-F253 PolarHBondContact NE2-O 3.37Å
254A94.4Very high96.1Very high45 Ų4570.4 Ų70.437%0.37237%0.374SS..EExtended strand (participates in β ladder)trans-125.1168.1176.100000111S209 L256S209-A254 WeakPolarHBondContact CB-O 3.26Å; S209-A254 PolarHBondContact N-O 2.92Å; S209-A254 PolarHBondContact O-N 2.82Å; A254-L256 PolarHBondContact O-N 2.96Å
255D94.3Very high95.8Very high118 Ų11870.5 Ų70.563%0.63138%0.379SS*.EExtended strand (participates in β ladder)trans52.353.1168.5-48.2-41.1000116.1S209 S257S209-D255 PolarHBondContact OG-OD2 2.97Å; D255-S257 PolarHBondContact O-N 3.22Å
256L97.4Very high95.5Very high19 Ų1972.3 Ų72.310%0.09939%0.393CS..EExtended strand (participates in β ladder)trans-60.2112.3170.1175.462.9000110.7R207 I208 L243 R244 F247 A254 I258R207-L256 WeakPolarHBondContact O-CA 3.4Å; I208-L256 HydrophobicContact CG2-CB 4.19Å; I208-L256 HydrophobicContact CG2-CD1 3.62Å; L243-L256 HydrophobicContact CD2-CD1 4.35Å; L243-L256 HydrophobicContact CG-CD2 4.13Å; R244-L256 HydrophobicContact CB-CD2 4.48Å; R244-L256 HydrophobicContact CG-CD2 3.83Å; F247-L256 HydrophobicContact CB-CD2 3.75Å; F247-L256 HydrophobicContact CD1-CB 3.76Å; F247-L256 HydrophobicContact CD1-CD2 4.23Å; F247-L256 HydrophobicContact CD2-CB 3.82Å; F247-L256 HydrophobicContact CD2-CD2 4.23Å; F247-L256 HydrophobicContact CD2-CG 4.46Å; F247-L256 HydrophobicContact CE1-CB 3.75Å; F247-L256 HydrophobicContact CE2-CB 3.8Å; F247-L256 HydrophobicContact CG-CB 3.79Å; F247-L256 HydrophobicContact CG-CD2 3.79Å; F247-L256 HydrophobicContact CG-CG 4.38Å; F247-L256 HydrophobicContact CZ-CB 3.77Å; A254-L256 PolarHBondContact O-N 2.96Å; L256-I258 HydrophobicContact CD1-CG1 4.22Å; L256-I258 HydrophobicContact CD2-CD1 4.47Å; L256-I258 HydrophobicContact CG-CG1 4.41Å
257S97.5Very high95.1Very high60 Ų6071.6 Ų71.642%0.4241%0.405SS..EExtended strand (participates in β ladder)trans-112.9133.1173.858.90000109.8A206 R207 D255A206-S257 CarbonylContact C-O 3.48Å; A206-S257 VanDerWaalsContact CA-O 3.27Å; A206-S257 WeakPolarHBondContact CA-O 3.3Å; R207-S257 PolarHBondContact N-O 3.44Å; R207-S257 PolarHBondContact O-N 3.46Å; R207-S257 PolarHBondContact O-OG 3.01Å; D255-S257 PolarHBondContact O-N 3.22Å
258I98Very high94.6Very high33 Ų3371.2 Ų71.217%0.16941%0.405CS..EExtended strand (participates in β ladder)trans-124.3127.1174.5-59.9168.7000106T205 A206 W239 E240 L243 L256T205-I258 WeakPolarHBondContact O-CA 3.34Å; A206-I258 HydrophobicContact CB-CG1 4.07Å; W239-I258 HydrophobicContact CZ3-CG2 4.25Å; E240-I258 HydrophobicContact CB-CD1 4.27Å; E240-I258 HydrophobicContact CG-CD1 3.67Å; L243-I258 HydrophobicContact CD2-CD1 4.12Å; L256-I258 HydrophobicContact CD1-CG1 4.22Å; L256-I258 HydrophobicContact CD2-CD1 4.47Å; L256-I258 HydrophobicContact CG-CG1 4.41Å
259S97.9Very high94.1Very high62 Ų6267.4 Ų67.443%0.43441%0.413SS..EExtended strand (participates in β ladder)trans-136.2160.5-177.257.30000109.7F204 T205F204-S259 WeakPolarHBondContact CA-O 3.44Å; T205-S259 PolarHBondContact N-O 3.49Å; T205-S259 PolarHBondContact O-N 3.19Å; T205-S259 PolarHBondContact O-OG 2.94Å
260S98Very high93.6Very high53 Ų5366.4 Ų66.437%0.37140%0.402SS..EExtended strand (participates in β ladder)trans-141.3148.2170.669.80000111.7R202 V203R202-S260 PolarHBondContact NH1-OG 3.27Å; V203-S260 CarbonylContact O-C 3.57Å; V203-S260 WeakPolarHBondContact O-CA 3.35Å; V203-S260 WeakPolarHBondContact O-CB 3.44Å
261E98.1Very high93.6Very high121 Ų12168.4 Ų68.457%0.56542%0.417SS*.EExtended strand (participates in β ladder)trans-136.5158.9174.265.4-176.2135.700110.3R202 V203 V263R202-E261 CarbonylContact C-O 3.53Å; R202-E261 WeakPolarHBondContact CA-O 3.41Å; V203-E261 HydrophobicContact CB-CG 4.3Å; V203-E261 PolarHBondContact N-O 3.01Å; V203-E261 PolarHBondContact O-N 3.16Å; E261-V263 HydrophobicContact CG-CG1 4.25Å
262I98.3Very high93.7Very high87 Ų8765.6 Ų65.645%0.44640%0.404SS..EExtended strand (participates in β ladder)trans-105.8126.8177.2-58.6171.8000108.2P200 L201 E226P200-I262 HydrophobicContact CB-CG2 4.08Å; L201-I262 CarbonylContact O-C 3.56Å; L201-I262 WeakPolarHBondContact O-CA 3.4Å; E226-I262 HydrophobicContact CG-CD1 4.13Å
263V97.3Very high93.8Very high42 Ų4267.2 Ų67.226%0.25542%0.416SS..EExtended strand (participates in β ladder)trans-124.2154.1176.6-55.60000110.1P200 L201 V203 E261 L265P200-V263 WeakPolarHBondContact CA-O 3.41Å; L201-V263 HydrophobicContact CB-CG2 4.22Å; L201-V263 PolarHBondContact N-O 3.15Å; L201-V263 PolarHBondContact O-N 3.25Å; V203-V263 HydrophobicContact CG2-CG1 4.39Å; V203-V263 HydrophobicContact CG2-CG2 3.66Å; E261-V263 HydrophobicContact CG-CG1 4.25Å; V263-L265 HydrophobicContact CG2-CG 4.47Å
264T96.6Very high93.8Very high81 Ų8170.4 Ų70.450%0.49744%0.437SS..EExtended strand (participates in β ladder)trans-130121171.5-57.30000107.7
265L92.3Very high93.7Very high78 Ų7872 Ų7241%0.40844%0.441SS..  trans-114.2145.8-176.5-61.3176000110L198 V263 A267 V268L198-L265 WeakPolarHBondContact CA-O 3.39Å; L198-L265 PolarHBondContact N-O 3.17Å; V263-L265 HydrophobicContact CG2-CG 4.47Å; L265-A267 WeakPolarHBondContact CB-O 3.38Å; L265-A267 PolarHBondContact O-N 3.38Å; L265-V268 HydrophobicContact CB-CG2 4.47Å
266P90.1Very high93.7Very high105 Ų10568.9 Ų68.968%0.68243%0.428SS*.SBendtrans-64.7-29.8176.426.7-33.9000112.1
267A87.5Confident93.4Very high70 Ų7072.5 Ų72.558%0.57945%0.452SS*.  trans-150.2156175.300000109.8L265L265-A267 WeakPolarHBondContact CB-O 3.38Å; L265-A267 PolarHBondContact O-N 3.38Å
268V87.1Confident93.1Very high25 Ų2573.5 Ų73.515%0.15245%0.454CS..  trans-127.3123.7177.4-177.70000107.3N194 L196 L201 L265 L270N194-V268 PolarHBondContact ND2-O 3.47Å; L196-V268 HydrophobicContact CB-CB 4.06Å; L196-V268 HydrophobicContact CB-CG2 3.78Å; L196-V268 HydrophobicContact CD1-CB 4.18Å; L196-V268 HydrophobicContact CD1-CG1 3.95Å; L196-V268 HydrophobicContact CD1-CG2 4.42Å; L201-V268 HydrophobicContact CD1-CG2 3.9Å; L265-V268 HydrophobicContact CB-CG2 4.47Å; V268-L270 HydrophobicContact CG1-CD2 4.18Å
269A86.9Confident92.7Very high103 Ų10376.8 Ų76.885%0.85148%0.478SS*.  trans-88.1141.7172.700000109.5
270L82.6Confident92.2Very high95 Ų9578.2 Ų78.250%0.49748%0.482SS..  trans-119.30-176.8-63.5-178.3000111.8V117 C171 Y184 F186 N194 L196 V268V117-L270 HydrophobicContact CG2-CD1 3.55Å; C171-L270 PolarHBondContact SG-OXT 2.58Å; Y184-L270 HydrophobicContact CD2-CD2 3.72Å; Y184-L270 HydrophobicContact CE2-CD2 4.39Å; F186-L270 HydrophobicContact CD1-CD1 3.87Å; F186-L270 HydrophobicContact CE1-CB 4.15Å; F186-L270 HydrophobicContact CE1-CD1 3.97Å; N194-L270 HydrophobicContact CB-CD1 3.84Å; L196-L270 HydrophobicContact CD1-CD2 4.4Å; V268-L270 HydrophobicContact CG1-CD2 4.18Å

Retrieved 270 of 270 residues in 767.3 ms (Link to these results)

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