A0A087XMA3_POEFO Loading...

Tyrosine-protein kinase

AlphaFold DB , UniProt , Accession A0A087XMA3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,155 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
1M22.8Very low31Very low240 Ų240138 Ų138100%1.18275%0.754SS**  0112.60-78-167.3174.800108.5
2P26.6Very low31.2Very low126 Ų126144.5 Ų144.582%0.81877%0.77SS**PPolyproline II helixtrans-89137.8178.131.9-25.9000110.8K4P2-K4 PolarHBondContact O-N 3.08Å
3R23.7Very low31.4Very low254 Ų254141.2 Ų141.296%0.95875%0.745SS**PPolyproline II helixtrans-66.3117.3170.1-77.4-179.3174.9-179.6-1.9108.3
4K26.4Very low31.4Very low198 Ų198135.4 Ų135.486%0.86172%0.719SS**PPolyproline II helixtrans-61.1135.2175.8-76.5178.5172.1-179.80110.4P2P2-K4 PolarHBondContact O-N 3.08Å
5A31.9Very low31.5Very low92 Ų92128.9 Ų128.976%0.7670%0.698SS**PPolyproline II helixtrans-51.9143.215800000109.8C7A5-C7 PolarHBondContact O-N 2.99Å
6G30.5Very low32Very low56 Ų56127.3 Ų127.358%0.57770%0.696SS**PPolyproline II helixtrans-46.8121.7-18000000111.1F8G6-F8 PolarHBondContact O-N 3.41Å
7C30.6Very low32.5Very low103 Ų103128.6 Ų128.670%0.69670%0.702SS**  trans-79.9110.3-175.7-162.70000108.2A5 K9A5-C7 PolarHBondContact O-N 2.99Å; C7-K9 PolarHBondContact O-N 3.32Å; C7-K9 VanDerWaalsContact O-N 3.08Å
8F38.2Very low33.5Very low124 Ų124128.2 Ų128.254%0.54469%0.694SS.*  trans-55.4112.8165.3-75.5-84.1000108.1G6G6-F8 PolarHBondContact O-N 3.41Å
9K38.1Very low34.9Very low175 Ų175126.1 Ų126.176%0.76169%0.686SS**  trans-98.3126173.9-73.3-175.5-179.4176.80108.4C7 G11C7-K9 PolarHBondContact O-N 3.32Å; C7-K9 VanDerWaalsContact O-N 3.08Å; K9-G11 VanDerWaalsContact C-N 3.32Å; K9-G11 PolarHBondContact O-N 3.25Å
10P36.5Very low36.5Very low107 Ų107120.5 Ų120.570%0.69566%0.657SS**  trans-64.4100.5159.526.8-30.1000106.8
11G35.8Very low37.6Very low43 Ų43123.6 Ų123.644%0.44367%0.667SS.*  trans-64.7147.5177.400000110.5K9 F13K9-G11 VanDerWaalsContact C-N 3.32Å; K9-G11 PolarHBondContact O-N 3.25Å; G11-F13 VanDerWaalsContact O-CD2 3.28Å; G11-F13 WeakPolarHBondContact O-CD2 3.43Å; G11-F13 PolarHBondContact O-N 2.95Å
12K32.8Very low39.9Very low216 Ų216114.6 Ų114.694%0.93963%0.628SS**  trans-60.5110.2165.5-91.1-178.9172.51800108
13F33.9Very low42.4Very low102 Ų102113.5 Ų113.545%0.44761%0.611SS.*PPolyproline II helixtrans-71.3136.3-178.2-70.9-82.6000111.3G11 E36G11-F13 VanDerWaalsContact O-CD2 3.28Å; G11-F13 WeakPolarHBondContact O-CD2 3.43Å; G11-F13 PolarHBondContact O-N 2.95Å; F13-E36 HydrophobicContact CE2-CG 4.32Å; F13-E36 HydrophobicContact CZ-CB 4.36Å; F13-E36 HydrophobicContact CZ-CG 4.36Å
14P32.3Very low45.3Very low59 Ų59101.4 Ų101.438%0.38357%0.566SS.*PPolyproline II helixtrans-66.6172.3156.9-218.6000110.1E18P14-E18 HydrophobicContact CB-CB 3.74Å; P14-E18 WeakPolarHBondContact CB-OE2 3.39Å; P14-E18 HydrophobicContact CG-CB 4.41Å
15G32Very low48.2Very low39 Ų3992.1 Ų92.140%0.40253%0.525SS..PPolyproline II helixtrans-56.3167.5-172.900000114.4N17 E18G15-N17 PolarHBondContact O-N 2.79Å; G15-E18 PolarHBondContact O-N 2.85Å
16P39.5Very low51.1Low103 Ų10387.8 Ų87.867%0.66949%0.489SS*.THydrogen-bonded Turntrans-56.2-11.4-168.117.9-30.6000116.7R37P16-R37 PolarHBondContact O-NH1 3.31Å
17N40.2Very low54.1Low149 Ų14985.2 Ų85.280%0.79746%0.462SS*.THydrogen-bonded Turntrans-121.39.8-178.4-74.9-13.5000114.8G15G15-N17 PolarHBondContact O-N 2.79Å
18E52Low57.1Low121 Ų12181.7 Ų81.757%0.56544%0.435SS*.PPolyproline II helixtrans-99.6124.2-177.8-82.4175.8175.400111.5P14 G15P14-E18 HydrophobicContact CB-CB 3.74Å; P14-E18 WeakPolarHBondContact CB-OE2 3.39Å; P14-E18 HydrophobicContact CG-CB 4.41Å; G15-E18 PolarHBondContact O-N 2.85Å
19T59.1Low59.8Low88 Ų8875.9 Ų75.954%0.5441%0.409SS..PPolyproline II helixtrans-63137173.847.10000110Q21T19-Q21 PolarHBondContact O-N 2.96Å
20P66.4Low62.4Low15 Ų1569 Ų6910%0.09738%0.379CS..PPolyproline II helixtrans-53.4126.3175.5-22.331.4000110.6S22 H26 Y38P20-S22 VanDerWaalsContact C-N 3.32Å; P20-H26 HydrophobicContact CG-CB 4.31Å; P20-Y38 HydrophobicContact CG-CD1 3.95Å; P20-Y38 HydrophobicContact CG-CD2 3.89Å; P20-Y38 HydrophobicContact CG-CE1 4.35Å; P20-Y38 HydrophobicContact CG-CE2 4.31Å; P20-Y38 HydrophobicContact CG-CG 3.7Å
21Q61.2Low65Low186 Ų18666.3 Ų66.387%0.86936%0.356SS*.  trans-90.41.4176.3-67-176.4-8.200112.6T19T19-Q21 PolarHBondContact O-N 2.96Å
22S69.8Low67.5Low51 Ų5165 Ų6536%0.35734%0.339SS..SBendtrans-71.9153.217746.50000111.6P20 H26P20-S22 VanDerWaalsContact C-N 3.32Å; S22-H26 PolarHBondContact O-NE2 2.76Å; S22-H26 PolarHBondContact OG-CE1 3.02Å; S22-H26 PolarHBondContact OG-NE2 3.09Å
23H80Confident69.7Low103 Ų10362.2 Ų62.248%0.47733%0.327SS..SBendtrans-69.8147.3170.563.6-80.5000110.7T42H23-T42 WeakPolarHBondContact O-CG2 3.29Å
24G83.9Confident71.6Confident0 Ų060.7 Ų60.70%034%0.34CS..EExtended strand (participates in β ladder)trans120.9-168.8175.700000114.7H41 S92 S93 E94G24-H41 WeakPolarHBondContact CA-O 3.48Å; G24-S92 PolarHBondContact N-O 3.03Å; G24-S93 WeakPolarHBondContact O-CA 3.47Å; G24-E94 PolarHBondContact O-N 3.21Å
25I88.3Confident73.7Confident3 Ų360.7 Ų60.72%0.01535%0.351CS..EExtended strand (participates in β ladder)trans-98.2125.4179.7-49.9-60.5000109.2S40 H41 L51 F86 E94 V96I25-S40 WeakPolarHBondContact O-CA 3.42Å; I25-H41 PolarHBondContact N-O 3.45Å; I25-H41 PolarHBondContact O-N 2.88Å; I25-L51 HydrophobicContact CG2-CD1 3.86Å; I25-F86 HydrophobicContact CD1-CB 4.18Å; I25-F86 HydrophobicContact CD1-CD1 3.84Å; I25-F86 HydrophobicContact CD1-CG 4.32Å; I25-F86 HydrophobicContact CG1-CB 3.86Å; I25-F86 HydrophobicContact CG1-CD1 4.17Å; I25-F86 HydrophobicContact CG1-CG 4.18Å; I25-F86 HydrophobicContact CG2-CD1 4.35Å; I25-E94 HydrophobicContact CD1-CB 3.83Å; I25-V96 HydrophobicContact CG2-CG2 4.17Å
26H92.1Very high76.2Confident0 Ų062.5 Ų62.50%035%0.348CS..EExtended strand (participates in β ladder)trans-112.7111.9-177.6-63-59.4000110.6P20 S22 Y38 L39 S40 E94 V95 V96P20-H26 HydrophobicContact CG-CB 4.31Å; S22-H26 PolarHBondContact O-NE2 2.76Å; S22-H26 PolarHBondContact OG-CE1 3.02Å; S22-H26 PolarHBondContact OG-NE2 3.09Å; H26-Y38 HydrophobicContact CB-CD1 4.26Å; H26-L39 CarbonylContact C-O 3.59Å; H26-L39 WeakPolarHBondContact CA-O 3.46Å; H26-S40 PolarHBondContact CE1-OG 3.48Å; H26-S40 WeakPolarHBondContact ND1-CB 3.44Å; H26-S40 PolarHBondContact ND1-OG 3.04Å; H26-E94 PolarHBondContact N-O 2.67Å; H26-V95 HydrophobicContact CB-CG2 4.18Å; H26-V95 WeakPolarHBondContact O-CA 3.28Å; H26-V96 PolarHBondContact O-N 2.89Å
27V93.8Very high78.3Confident2 Ų262.6 Ų62.61%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-89.8111.6176.9-174.70000109.1L29 Y38 L39 L51 A55 L71 V96V27-L29 HydrophobicContact CG1-CD2 4.17Å; V27-Y38 CarbonylContact O-C 3.45Å; V27-Y38 VanDerWaalsContact O-CA 3.28Å; V27-Y38 WeakPolarHBondContact O-CA 3.31Å; V27-L39 HydrophobicContact CB-CB 4.34Å; V27-L39 PolarHBondContact N-O 3.34Å; V27-L39 PolarHBondContact O-N 3.03Å; V27-L51 HydrophobicContact CG2-CB 4.27Å; V27-L51 HydrophobicContact CG2-CD1 4.3Å; V27-L51 HydrophobicContact CG2-CD2 4.31Å; V27-A55 HydrophobicContact CG1-CB 4.28Å; V27-L71 HydrophobicContact CG1-CD2 4.03Å; V27-V96 CarbonylContact C-O 3.52Å; V27-V96 WeakPolarHBondContact CA-O 3.49Å; V27-V96 HydrophobicContact CB-CG2 4.44Å; V27-V96 HydrophobicContact CG2-CG2 3.96Å
28Y94.4Very high80.7Confident30 Ų3057.2 Ų57.212%0.11830%0.304CS..EExtended strand (participates in β ladder)trans-76.9131.4174.7-178.9-106.3000111.1F30 R37 Y38 V96 H97 Y98Y28-F30 HydrophobicContact CD1-CD1 4.37Å; Y28-F30 HydrophobicContact CD1-CE1 4.16Å; Y28-F30 HydrophobicContact CD1-CZ 4.35Å; Y28-F30 AromaticContact CE1-CD1 3.69Å; Y28-F30 HydrophobicContact CE1-CD1 3.69Å; Y28-F30 AromaticContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CG 4.31Å; Y28-F30 HydrophobicContact CE1-CZ 4.33Å; Y28-R37 WeakPolarHBondContact CA-O 3.4Å; Y28-R37 WeakPolarHBondContact CD2-O 3.48Å; Y28-R37 HydrophobicContact CE2-CB 4.32Å; Y28-Y38 HydrophobicContact CD2-CD1 4.07Å; Y28-Y38 AromaticContact CD2-CE1 3.49Å; Y28-Y38 HydrophobicContact CD2-CE1 3.49Å; Y28-Y38 VanDerWaalsContact CD2-CE1 3.49Å; Y28-Y38 HydrophobicContact CD2-CE2 4.07Å; Y28-Y38 AromaticContact CD2-CZ 3.48Å; Y28-Y38 VanDerWaalsContact CD2-CZ 3.48Å; Y28-Y38 HydrophobicContact CE2-CE2 4.43Å; Y28-Y38 HydrophobicContact CG-CE1 4.11Å; Y28-V96 PolarHBondContact N-O 3.07Å; Y28-H97 AromaticContact CD1-CD2 3.96Å; Y28-Y98 PolarHBondContact O-N 2.9Å
29L94.8Very high82.5Confident2 Ų253 Ų531%0.0129%0.286CS..  trans-112.8127.1178.9-56.1-178.7000110.1V27 W31 T32 R37 L39 A55 A58 V59 Y98V27-L29 HydrophobicContact CG1-CD2 4.17Å; L29-W31 VanDerWaalsContact C-N 3.31Å; L29-T32 HydrophobicContact CB-CG2 3.94Å; L29-T32 HydrophobicContact CD1-CG2 3.39Å; L29-T32 HydrophobicContact CG-CG2 4.32Å; L29-R37 PolarHBondContact N-O 2.91Å; L29-L39 HydrophobicContact CD1-CD1 3.93Å; L29-L39 HydrophobicContact CD1-CG 3.85Å; L29-A55 HydrophobicContact CD2-CB 3.88Å; L29-A58 HydrophobicContact CD1-CB 4.44Å; L29-V59 HydrophobicContact CD1-CG2 4.34Å; L29-V59 HydrophobicContact CD2-CG2 4.38Å; L29-Y98 HydrophobicContact CD2-CD1 3.93Å; L29-Y98 HydrophobicContact CD2-CG 4.26Å
30F92.1Very high84Confident30 Ų3050.8 Ų50.813%0.13227%0.273CS..SBendtrans-71.8-28.3178.2-64.4-78000112.8Y28 H97 Y98 C99 Y142 A145 Q146 H149Y28-F30 HydrophobicContact CD1-CD1 4.37Å; Y28-F30 HydrophobicContact CD1-CE1 4.16Å; Y28-F30 HydrophobicContact CD1-CZ 4.35Å; Y28-F30 AromaticContact CE1-CD1 3.69Å; Y28-F30 HydrophobicContact CE1-CD1 3.69Å; Y28-F30 AromaticContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CE1 3.69Å; Y28-F30 HydrophobicContact CE1-CG 4.31Å; Y28-F30 HydrophobicContact CE1-CZ 4.33Å; F30-H97 HydrophobicContact CE2-CB 4.47Å; F30-H97 HydrophobicContact CZ-CB 4.36Å; F30-H97 AromaticContact CZ-ND1 3.92Å; F30-Y98 WeakPolarHBondContact CD2-O 3.45Å; F30-Y98 WeakPolarHBondContact CE2-O 3.44Å; F30-C99 VanDerWaalsContact CE2-SG 3.54Å; F30-Y142 HydrophobicContact CB-CE1 4.45Å; F30-Y142 HydrophobicContact CB-CE2 4.48Å; F30-Y142 AromaticContact CD2-CE1 3.76Å; F30-Y142 HydrophobicContact CD2-CE1 3.76Å; F30-Y142 AromaticContact CD2-CZ 3.83Å; F30-Y142 WeakPolarHBondContact CD2-OH 3.47Å; F30-Y142 PolarHBondContact N-OH 2.83Å; F30-A145 HydrophobicContact CB-CB 3.94Å; F30-Q146 HydrophobicContact CD2-CB 3.93Å; F30-Q146 HydrophobicContact CD2-CG 4.18Å; F30-Q146 HydrophobicContact CE2-CB 4.25Å; F30-Q146 HydrophobicContact CE2-CG 3.97Å; F30-Q146 HydrophobicContact CG-CB 4.16Å; F30-Q146 HydrophobicContact CZ-CG 4.28Å; F30-H149 HydrophobicContact CD1-CB 3.79Å; F30-H149 AromaticContact CD1-CG 3.88Å; F30-H149 HydrophobicContact CE1-CB 3.76Å; F30-H149 AromaticContact CE1-CD2 3.84Å; F30-H149 AromaticContact CE1-CG 3.46Å; F30-H149 VanDerWaalsContact CE1-CG 3.46Å; F30-H149 AromaticContact CE1-ND1 3.59Å
31W91.4Very high85Confident51 Ų5151.5 Ų51.519%0.19328%0.275CS..  trans-155.3139.1-178179.586.1000111.3L29 K33 V59 T138 E141 Y142 A145L29-W31 VanDerWaalsContact C-N 3.31Å; W31-K33 HydrophobicContact CH2-CG 3.8Å; W31-K33 HydrophobicContact CZ2-CG 4.19Å; W31-K33 HydrophobicContact CZ3-CG 4.49Å; W31-V59 HydrophobicContact CE3-CG1 3.89Å; W31-V59 HydrophobicContact CZ3-CG1 3.94Å; W31-T138 HydrophobicContact CZ3-CG2 4.49Å; W31-E141 HydrophobicContact CD2-CB 4.32Å; W31-E141 HydrophobicContact CE3-CB 4.33Å; W31-E141 HydrophobicContact CH2-CB 4.19Å; W31-E141 WeakPolarHBondContact CH2-OE2 3.43Å; W31-E141 HydrophobicContact CZ2-CB 4.19Å; W31-E141 WeakPolarHBondContact CZ2-OE2 2.96Å; W31-E141 HydrophobicContact CZ3-CB 4.27Å; W31-Y142 HydrophobicContact CB-CD2 4.2Å; W31-Y142 HydrophobicContact CE3-CD2 4.47Å; W31-Y142 WeakPolarHBondContact O-CD2 3.24Å; W31-Y142 WeakPolarHBondContact O-CE2 3.06Å; W31-A145 HydrophobicContact CB-CB 3.66Å; W31-A145 HydrophobicContact CG-CB 4.47Å
32T88.6Confident86.1Confident14 Ų1445.5 Ų45.59%0.08625%0.252CS..  trans-146.7154.9170.959.70000109.2L29 G34 G35 E36 V59L29-T32 HydrophobicContact CB-CG2 3.94Å; L29-T32 HydrophobicContact CD1-CG2 3.39Å; L29-T32 HydrophobicContact CG-CG2 4.32Å; T32-G34 VanDerWaalsContact C-N 3.28Å; T32-G34 PolarHBondContact O-N 3.37Å; T32-G35 PolarHBondContact O-N 3.36Å; T32-G35 WeakPolarHBondContact OG1-CA 3.43Å; T32-G35 PolarHBondContact OG1-N 2.81Å; T32-E36 WeakPolarHBondContact CG2-O 2.96Å; T32-E36 PolarHBondContact OG1-N 2.83Å; T32-E36 PolarHBondContact OG1-O 3.33Å; T32-V59 HydrophobicContact CG2-CG2 4.26Å
33K78.9Confident86.7Confident159 Ų15946.4 Ų46.469%0.69126%0.258SS*.THydrogen-bonded Turntrans-65.9-32.4174.2-66.6-178.6-178.4175.20112.5W31W31-K33 HydrophobicContact CH2-CG 3.8Å; W31-K33 HydrophobicContact CZ2-CG 4.19Å; W31-K33 HydrophobicContact CZ3-CG 4.49Å
34G73.1Confident86.9Confident70 Ų7043.8 Ų43.872%0.72226%0.258SS*.THydrogen-bonded Turntrans-84-8.5-179.200000115.1T32 E36T32-G34 VanDerWaalsContact C-N 3.28Å; T32-G34 PolarHBondContact O-N 3.37Å; G34-E36 VanDerWaalsContact C-N 3.27Å; G34-E36 PolarHBondContact O-N 3.13Å
35G77.1Confident87.2Confident59 Ų5949.3 Ų49.361%0.60829%0.288SS*.  trans78.25.5-177.300000114.9T32T32-G35 PolarHBondContact O-N 3.36Å; T32-G35 WeakPolarHBondContact OG1-CA 3.43Å; T32-G35 PolarHBondContact OG1-N 2.81Å
36E82.9Confident87.4Confident76 Ų7650.3 Ų50.336%0.35529%0.294SS..  trans-65.9133.3173.1-61.9177.5166.600110.3F13 T32 G34F13-E36 HydrophobicContact CE2-CG 4.32Å; F13-E36 HydrophobicContact CZ-CB 4.36Å; F13-E36 HydrophobicContact CZ-CG 4.36Å; T32-E36 WeakPolarHBondContact CG2-O 2.96Å; T32-E36 PolarHBondContact OG1-N 2.83Å; T32-E36 PolarHBondContact OG1-O 3.33Å; G34-E36 VanDerWaalsContact C-N 3.27Å; G34-E36 PolarHBondContact O-N 3.13Å
37R85Confident87.5Confident105 Ų10552.4 Ų52.440%0.39631%0.307SS..  trans-102.4-18.3180-73.9-169.4174-162.6-6.8114.3P16 Y28 L29P16-R37 PolarHBondContact O-NH1 3.31Å; Y28-R37 WeakPolarHBondContact CA-O 3.4Å; Y28-R37 WeakPolarHBondContact CD2-O 3.48Å; Y28-R37 HydrophobicContact CE2-CB 4.32Å; L29-R37 PolarHBondContact N-O 2.91Å
38Y88.9Confident87.6Confident37 Ų3752.4 Ų52.415%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-139.6138-177.1-65.2-85.4000111.5P20 H26 V27 Y28 V95P20-Y38 HydrophobicContact CG-CD1 3.95Å; P20-Y38 HydrophobicContact CG-CD2 3.89Å; P20-Y38 HydrophobicContact CG-CE1 4.35Å; P20-Y38 HydrophobicContact CG-CE2 4.31Å; P20-Y38 HydrophobicContact CG-CG 3.7Å; H26-Y38 HydrophobicContact CB-CD1 4.26Å; V27-Y38 CarbonylContact O-C 3.45Å; V27-Y38 VanDerWaalsContact O-CA 3.28Å; V27-Y38 WeakPolarHBondContact O-CA 3.31Å; Y28-Y38 HydrophobicContact CD2-CD1 4.07Å; Y28-Y38 AromaticContact CD2-CE1 3.49Å; Y28-Y38 HydrophobicContact CD2-CE1 3.49Å; Y28-Y38 VanDerWaalsContact CD2-CE1 3.49Å; Y28-Y38 HydrophobicContact CD2-CE2 4.07Å; Y28-Y38 AromaticContact CD2-CZ 3.48Å; Y28-Y38 VanDerWaalsContact CD2-CZ 3.48Å; Y28-Y38 HydrophobicContact CE2-CE2 4.43Å; Y28-Y38 HydrophobicContact CG-CE1 4.11Å; Y38-V95 HydrophobicContact CE1-CG1 3.93Å
39L90.8Very high87.7Confident33 Ų3352.1 Ų52.117%0.17331%0.307CS..EExtended strand (participates in β ladder)trans-105.9130.5162-63.3174.1000109H26 V27 L29 A55 A58H26-L39 CarbonylContact C-O 3.59Å; H26-L39 WeakPolarHBondContact CA-O 3.46Å; V27-L39 HydrophobicContact CB-CB 4.34Å; V27-L39 PolarHBondContact N-O 3.34Å; V27-L39 PolarHBondContact O-N 3.03Å; L29-L39 HydrophobicContact CD1-CD1 3.93Å; L29-L39 HydrophobicContact CD1-CG 3.85Å; L39-A55 HydrophobicContact CD1-CB 4.18Å; L39-A58 HydrophobicContact CD1-CB 3.82Å; L39-A58 HydrophobicContact CD2-CB 4.21Å
40S89.8Confident87.7Confident40 Ų4053 Ų5328%0.2832%0.317SS..EExtended strand (participates in β ladder)trans-113127.1-175.1-56.20000110.8I25 H26I25-S40 WeakPolarHBondContact O-CA 3.42Å; H26-S40 PolarHBondContact CE1-OG 3.48Å; H26-S40 WeakPolarHBondContact ND1-CB 3.44Å; H26-S40 PolarHBondContact ND1-OG 3.04Å
41H87.8Confident87.9Confident30 Ų3051.9 Ų51.914%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-112.6112.6171.8-174.483.2000109.6G24 I25 S43 G44 V46 L51G24-H41 WeakPolarHBondContact CA-O 3.48Å; I25-H41 PolarHBondContact N-O 3.45Å; I25-H41 PolarHBondContact O-N 2.88Å; H41-S43 PolarHBondContact CE1-O 3.1Å; H41-S43 VanDerWaalsContact CE1-O 3.32Å; H41-S43 PolarHBondContact NE2-O 2.87Å; H41-G44 PolarHBondContact NE2-O 2.82Å; H41-V46 VanDerWaalsContact CD2-CG1 3.45Å; H41-V46 WeakPolarHBondContact CD2-CG1 3.26Å; H41-L51 HydrophobicContact CB-CD2 3.84Å
42T85.7Confident88.2Confident61 Ų6149.8 Ų49.837%0.37431%0.305SS..  trans-111.2-5.3-166.263.10000114.3H23H23-T42 WeakPolarHBondContact O-CG2 3.29Å
43S82.3Confident88.5Confident69 Ų6950 Ų5048%0.48331%0.305SS..SBendtrans-157.2138.6-175.563.50000113.1H41H41-S43 PolarHBondContact CE1-O 3.1Å; H41-S43 VanDerWaalsContact CE1-O 3.32Å; H41-S43 PolarHBondContact NE2-O 2.87Å
44G84.2Confident89.3Confident48 Ų4843.9 Ų43.950%0.49528%0.283SS..SBendtrans81.5150.6177.500000112.7H41 P88H41-G44 PolarHBondContact NE2-O 2.82Å; G44-P88 WeakPolarHBondContact O-CD 3.42Å
45D88.9Confident90.3Very high117 Ų11740.6 Ų40.663%0.62625%0.249SC*.  trans-63.4139.2178.1-65.8-26.3000111V85 F86 S87D45-V85 HydrophobicContact CB-CG1 3.84Å; D45-F86 WeakPolarHBondContact CA-O 3.38Å; D45-S87 WeakPolarHBondContact OD1-CA 3.41Å; D45-S87 WeakPolarHBondContact OD1-CB 3.27Å; D45-S87 PolarHBondContact OD1-OG 2.97Å
46V92.1Very high91.2Very high24 Ų2437.8 Ų37.815%0.14522%0.22CC..EExtended strand (participates in β ladder)trans-140.6138.517866.80000110.5H41 L51 F86H41-V46 VanDerWaalsContact CD2-CG1 3.45Å; H41-V46 WeakPolarHBondContact CD2-CG1 3.26Å; V46-L51 HydrophobicContact CB-CG 4.49Å; V46-L51 HydrophobicContact CG1-CD1 3.93Å; V46-L51 HydrophobicContact CG1-CD2 3.89Å; V46-L51 HydrophobicContact CG1-CG 3.78Å; V46-L51 HydrophobicContact CG2-CD2 3.99Å; V46-L51 HydrophobicContact CG2-CG 3.87Å; V46-F86 HydrophobicContact CG1-CB 4.09Å; V46-F86 PolarHBondContact N-O 2.92Å; V46-F86 PolarHBondContact O-N 3.04Å
47T95.2Very high91.7Very high43 Ų4338.4 Ų38.426%0.26422%0.223SC..EExtended strand (participates in β ladder)trans-79153.917559.30000111.1E49 G50 L51 H84 V85 P418T47-E49 PolarHBondContact O-N 2.81Å; T47-G50 PolarHBondContact O-N 3.3Å; T47-G50 PolarHBondContact OG1-N 3.05Å; T47-G50 VanDerWaalsContact OG1-N 3.09Å; T47-L51 PolarHBondContact O-N 3.16Å; T47-H84 CarbonylContact C-O 3.48Å; T47-H84 VanDerWaalsContact CA-O 3.24Å; T47-H84 WeakPolarHBondContact CA-O 3.48Å; T47-V85 HydrophobicContact CG2-CG2 4.27Å; T47-P418 HydrophobicContact CG2-CG 4.22Å
48A96.4Very high92.1Very high2 Ų235.3 Ų35.32%0.01722%0.219CC..Hα-helixtrans-55.9-39171.300000111.7L51 C52 L71 S81 H84 F86A48-L51 PolarHBondContact O-N 3.18Å; A48-C52 WeakPolarHBondContact O-CB 3.05Å; A48-C52 PolarHBondContact O-N 2.6Å; A48-C52 PolarHBondContact O-SG 3.34Å; A48-C52 VanDerWaalsContact O-SG 3.37Å; A48-L71 HydrophobicContact CB-CD1 4.01Å; A48-S81 WeakPolarHBondContact CB-O 3.29Å; A48-H84 HydrophobicContact CB-CB 4.26Å; A48-H84 PolarHBondContact N-O 3.13Å; A48-F86 HydrophobicContact CB-CE2 3.9Å
49E96.6Very high92.4Very high24 Ų2433.6 Ų33.611%0.11221%0.213CC..Hα-helixtrans-60.8-43.4172.6-172.7178.2-124.700112T47 L51 C52 I53 P82 P417 P418 R419T47-E49 PolarHBondContact O-N 2.81Å; E49-L51 PolarHBondContact O-N 3.32Å; E49-C52 WeakPolarHBondContact O-CB 3.38Å; E49-C52 PolarHBondContact O-N 2.88Å; E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.37Å; E49-I53 PolarHBondContact O-N 2.7Å; E49-P82 HydrophobicContact CB-CB 4.21Å; E49-P82 WeakPolarHBondContact CB-O 3.24Å; E49-P82 PolarHBondContact N-O 3.47Å; E49-P417 VanDerWaalsContact OE1-CB 3.31Å; E49-P417 WeakPolarHBondContact OE1-CB 3.4Å; E49-P418 WeakPolarHBondContact OE2-CB 3.38Å; E49-P418 VanDerWaalsContact OE2-CD 3.25Å; E49-P418 WeakPolarHBondContact OE2-CD 3.38Å; E49-R419 WeakPolarHBondContact OE1-CB 3.37Å; E49-R419 WeakPolarHBondContact OE2-CB 3.26Å; E49-R419 PolarHBondContact OE2-N 2.87Å
50G94.8Very high92.5Very high21 Ų2133.8 Ų33.822%0.21622%0.223CC..Hα-helixtrans-62.7-41.3177.600000113.2T47 I53 S54T47-G50 PolarHBondContact O-N 3.3Å; T47-G50 PolarHBondContact OG1-N 3.05Å; T47-G50 VanDerWaalsContact OG1-N 3.09Å; G50-I53 PolarHBondContact O-N 3.38Å; G50-S54 PolarHBondContact O-N 3.13Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 2.82Å
51L95.7Very high92.8Very high7 Ų732 Ų324%0.03721%0.21CC..Hα-helixtrans-65.5-42.3172.7-72179.8000111.8I25 V27 H41 V46 T47 A48 E49 I53 S54 A55 L71 F86I25-L51 HydrophobicContact CG2-CD1 3.86Å; V27-L51 HydrophobicContact CG2-CB 4.27Å; V27-L51 HydrophobicContact CG2-CD1 4.3Å; V27-L51 HydrophobicContact CG2-CD2 4.31Å; H41-L51 HydrophobicContact CB-CD2 3.84Å; V46-L51 HydrophobicContact CB-CG 4.49Å; V46-L51 HydrophobicContact CG1-CD1 3.93Å; V46-L51 HydrophobicContact CG1-CD2 3.89Å; V46-L51 HydrophobicContact CG1-CG 3.78Å; V46-L51 HydrophobicContact CG2-CD2 3.99Å; V46-L51 HydrophobicContact CG2-CG 3.87Å; T47-L51 PolarHBondContact O-N 3.16Å; A48-L51 PolarHBondContact O-N 3.18Å; E49-L51 PolarHBondContact O-N 3.32Å; L51-I53 VanDerWaalsContact C-N 3.33Å; L51-I53 PolarHBondContact O-N 3.27Å; L51-S54 PolarHBondContact O-N 2.94Å; L51-A55 WeakPolarHBondContact O-CB 3.26Å; L51-A55 PolarHBondContact O-N 3.45Å; L51-L71 HydrophobicContact CB-CD1 3.92Å; L51-L71 HydrophobicContact CD1-CD1 4.03Å; L51-F86 HydrophobicContact CD1-CD2 3.61Å; L51-F86 HydrophobicContact CD1-CE2 3.82Å; L51-F86 HydrophobicContact CD1-CG 4.33Å
52C97.4Very high93.1Very high6 Ų632.7 Ų32.74%0.04122%0.216CC..Hα-helixtrans-61.8-38.2174.7-78.80000112.4A48 E49 A55 A56 H66 Y98A48-C52 WeakPolarHBondContact O-CB 3.05Å; A48-C52 PolarHBondContact O-N 2.6Å; A48-C52 PolarHBondContact O-SG 3.34Å; A48-C52 VanDerWaalsContact O-SG 3.37Å; E49-C52 WeakPolarHBondContact O-CB 3.38Å; E49-C52 PolarHBondContact O-N 2.88Å; C52-A55 PolarHBondContact O-N 2.84Å; C52-A56 WeakPolarHBondContact O-CB 3.39Å; C52-A56 PolarHBondContact O-N 3.31Å; C52-H66 VanDerWaalsContact C-CE1 3.47Å; C52-H66 VanDerWaalsContact CB-CE1 3.48Å; C52-H66 WeakPolarHBondContact CB-CE1 3.09Å; C52-Y98 HydrophobicContact CB-CD2 4.44Å; C52-Y98 HydrophobicContact CB-CE2 3.94Å
53I95.6Very high93.6Very high18 Ų1830.3 Ų30.39%0.09220%0.202CC..Hα-helixtrans-64.8-48.1177-72.4168.1000109.4E49 G50 L51 A55 A56 E57 H66 Y460E49-I53 HydrophobicContact CG-CD1 4.15Å; E49-I53 WeakPolarHBondContact O-CG1 3.37Å; E49-I53 PolarHBondContact O-N 2.7Å; G50-I53 PolarHBondContact O-N 3.38Å; L51-I53 VanDerWaalsContact C-N 3.33Å; L51-I53 PolarHBondContact O-N 3.27Å; I53-A55 VanDerWaalsContact C-N 3.28Å; I53-A55 PolarHBondContact O-N 3.08Å; I53-A56 WeakPolarHBondContact O-CB 3.4Å; I53-A56 PolarHBondContact O-N 3.17Å; I53-A56 VanDerWaalsContact O-N 3.09Å; I53-E57 WeakPolarHBondContact O-CG 3.25Å; I53-E57 PolarHBondContact O-N 3.31Å; I53-H66 PolarHBondContact N-CE1 3.34Å; I53-Y460 HydrophobicContact CB-CD1 4.44Å; I53-Y460 HydrophobicContact CG1-CD1 4.03Å; I53-Y460 HydrophobicContact CG1-CE1 4.39Å; I53-Y460 HydrophobicContact CG2-CD1 3.81Å; I53-Y460 HydrophobicContact CG2-CD2 4.45Å; I53-Y460 HydrophobicContact CG2-CG 3.76Å
54S94.5Very high94.1Very high32 Ų3228 Ų2822%0.22418%0.184CC..Hα-helixtrans-59.4-40.4177.9-53.80000111.8G50 L51 A58G50-S54 PolarHBondContact O-N 3.13Å; G50-S54 VanDerWaalsContact O-N 3.09Å; G50-S54 PolarHBondContact O-OG 2.82Å; L51-S54 PolarHBondContact O-N 2.94Å; S54-A58 PolarHBondContact O-N 2.77Å; S54-A58 VanDerWaalsContact O-N 3.11Å
55A95.4Very high94.6Very high0 Ų025.8 Ų25.80%016%0.161CC..Hα-helixtrans-65-44.1173.700000112.3V27 L29 L39 L51 C52 I53 E57 A58 V59 Y98V27-A55 HydrophobicContact CG1-CB 4.28Å; L29-A55 HydrophobicContact CD2-CB 3.88Å; L39-A55 HydrophobicContact CD1-CB 4.18Å; L51-A55 WeakPolarHBondContact O-CB 3.26Å; L51-A55 PolarHBondContact O-N 3.45Å; C52-A55 PolarHBondContact O-N 2.84Å; I53-A55 VanDerWaalsContact C-N 3.28Å; I53-A55 PolarHBondContact O-N 3.08Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 2.87Å; A55-A58 PolarHBondContact O-N 3Å; A55-V59 VanDerWaalsContact O-CG2 3.23Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 2.85Å; A55-Y98 HydrophobicContact CB-CD1 3.73Å; A55-Y98 HydrophobicContact CB-CD2 3.88Å; A55-Y98 HydrophobicContact CB-CE1 3.98Å; A55-Y98 HydrophobicContact CB-CE2 4.1Å; A55-Y98 HydrophobicContact CB-CG 3.7Å
56A95.6Very high94.9Very high0 Ų021 Ų210%014%0.135CC..Hα-helixtrans-60.8-42.3178.100000111.4C52 I53 V59 G60 I61 H66 Y98 Y460C52-A56 WeakPolarHBondContact O-CB 3.39Å; C52-A56 PolarHBondContact O-N 3.31Å; I53-A56 WeakPolarHBondContact O-CB 3.4Å; I53-A56 PolarHBondContact O-N 3.17Å; I53-A56 VanDerWaalsContact O-N 3.09Å; A56-V59 PolarHBondContact O-N 2.84Å; A56-G60 CarbonylContact O-C 3.53Å; A56-G60 WeakPolarHBondContact O-CA 3.4Å; A56-G60 PolarHBondContact O-N 2.84Å; A56-I61 HydrophobicContact CB-CB 4.08Å; A56-I61 HydrophobicContact CB-CG2 4.39Å; A56-I61 PolarHBondContact O-N 2.79Å; A56-H66 HydrophobicContact CB-CB 4.42Å; A56-Y98 WeakPolarHBondContact CB-OH 3.4Å; A56-Y460 HydrophobicContact CB-CE2 4.3Å; A56-Y460 WeakPolarHBondContact CB-OH 3.39Å
57E94.1Very high95Very high89 Ų8923 Ų2342%0.41615%0.148SC..Hα-helixtrans-64.2-43.8176.8-71.7-175.4139.700112.5I53 A55 V59 G60 Y460 H461I53-E57 WeakPolarHBondContact O-CG 3.25Å; I53-E57 PolarHBondContact O-N 3.31Å; A55-E57 VanDerWaalsContact C-N 3.32Å; A55-E57 PolarHBondContact O-N 2.87Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.82Å; E57-G60 PolarHBondContact O-N 3.49Å; E57-Y460 HydrophobicContact CG-CD2 3.53Å; E57-Y460 HydrophobicContact CG-CE2 3.93Å; E57-Y460 HydrophobicContact CG-CG 4.35Å; E57-H461 IonicContact OE1-CD2 3.39Å; E57-H461 PolarHBondContact OE1-CD2 3.45Å; E57-H461 IonicContact OE1-NE2 3.72Å; E57-H461 PolarHBondContact OE1-NE2 3.25Å; E57-H461 IonicContact OE2-NE2 2.73Å
58A92.9Very high95.1Very high40 Ų4021 Ų2133%0.33114%0.135SC..Hα-helixtrans-64.1-35.2177.200000112.8L29 L39 S54 A55L29-A58 HydrophobicContact CD1-CB 4.44Å; L39-A58 HydrophobicContact CD1-CB 3.82Å; L39-A58 HydrophobicContact CD2-CB 4.21Å; S54-A58 PolarHBondContact O-N 2.77Å; S54-A58 VanDerWaalsContact O-N 3.11Å; A55-A58 PolarHBondContact O-N 3Å
59V94.3Very high95.2Very high1 Ų121.4 Ų21.41%0.00614%0.136CC..Hα-helixtrans-78.6-31.6176.3178.10000111.6L29 W31 T32 A55 A56 E57 I61 Y142L29-V59 HydrophobicContact CD1-CG2 4.34Å; L29-V59 HydrophobicContact CD2-CG2 4.38Å; W31-V59 HydrophobicContact CE3-CG1 3.89Å; W31-V59 HydrophobicContact CZ3-CG1 3.94Å; T32-V59 HydrophobicContact CG2-CG2 4.26Å; A55-V59 VanDerWaalsContact O-CG2 3.23Å; A55-V59 WeakPolarHBondContact O-CG2 3.33Å; A55-V59 PolarHBondContact O-N 2.85Å; A56-V59 PolarHBondContact O-N 2.84Å; E57-V59 VanDerWaalsContact C-N 3.3Å; E57-V59 PolarHBondContact O-N 2.82Å; V59-I61 HydrophobicContact CB-CD1 4.07Å; V59-I61 HydrophobicContact CB-CG1 4.24Å; V59-I61 HydrophobicContact CG1-CD1 3.76Å; V59-I61 HydrophobicContact CG1-CG1 3.79Å; V59-Y142 HydrophobicContact CB-CD2 4.41Å; V59-Y142 HydrophobicContact CG1-CD2 3.58Å; V59-Y142 HydrophobicContact CG1-CE2 4.27Å; V59-Y142 HydrophobicContact CG1-CG 4.35Å; V59-Y142 HydrophobicContact CG2-CD2 3.88Å; V59-Y142 HydrophobicContact CG2-CE2 3.69Å
60G93.8Very high95.3Very high37 Ų3720.7 Ų20.738%0.38114%0.135SC..THydrogen-bonded Turntrans88.523.7-172.300000114.1A56 E57 T138A56-G60 CarbonylContact O-C 3.53Å; A56-G60 WeakPolarHBondContact O-CA 3.4Å; A56-G60 PolarHBondContact O-N 2.84Å; E57-G60 PolarHBondContact O-N 3.49Å; G60-T138 PolarHBondContact O-OG1 3.03Å
61I95.5Very high95.4Very high4 Ų419.8 Ų19.82%0.02113%0.125CC..  trans-70.2140.4172.8-70.6159.6000109A56 V59 C65 H66 F69 Y98 Y460A56-I61 HydrophobicContact CB-CB 4.08Å; A56-I61 HydrophobicContact CB-CG2 4.39Å; A56-I61 PolarHBondContact O-N 2.79Å; V59-I61 HydrophobicContact CB-CD1 4.07Å; V59-I61 HydrophobicContact CB-CG1 4.24Å; V59-I61 HydrophobicContact CG1-CD1 3.76Å; V59-I61 HydrophobicContact CG1-CG1 3.79Å; I61-C65 HydrophobicContact CG2-CB 3.96Å; I61-H66 HydrophobicContact CG2-CB 4.38Å; I61-F69 HydrophobicContact CD1-CD1 4.36Å; I61-F69 HydrophobicContact CD1-CD2 4.34Å; I61-F69 HydrophobicContact CD1-CE1 3.89Å; I61-F69 HydrophobicContact CD1-CE2 3.86Å; I61-F69 HydrophobicContact CD1-CZ 3.61Å; I61-F69 HydrophobicContact CG1-CE2 4.46Å; I61-F69 HydrophobicContact CG1-CZ 4.4Å; I61-F69 HydrophobicContact CG2-CD2 4.43Å; I61-F69 HydrophobicContact CG2-CE2 4.06Å; I61-Y98 HydrophobicContact CD1-CE1 3.74Å; I61-Y460 PolarHBondContact O-OH 2.83Å
62T94.8Very high95.4Very high43 Ų4322 Ų2226%0.26413%0.133SC..  trans-77.5155.1-179.861.80000112.7L64 C65 H66 D136 Y460T62-L64 PolarHBondContact O-N 2.73Å; T62-L64 VanDerWaalsContact O-N 3.07Å; T62-C65 PolarHBondContact O-N 3.39Å; T62-C65 PolarHBondContact OG1-N 2.78Å; T62-H66 PolarHBondContact O-N 3.45Å; T62-D136 WeakPolarHBondContact CB-OD2 3.46Å; T62-D136 VanDerWaalsContact CG2-OD2 3.26Å; T62-D136 WeakPolarHBondContact CG2-OD2 3.29Å; T62-D136 PolarHBondContact N-OD2 3.15Å; T62-D136 PolarHBondContact OG1-OD2 3.34Å; T62-Y460 PolarHBondContact O-OH 2.82Å
63P94.7Very high95.2Very high12 Ų1221.9 Ų21.98%0.07813%0.132CC..Hα-helixtrans-51.5-31.7171.9-29.835.2000114.2P431 A457 Y460P63-P431 HydrophobicContact CB-CB 4.15Å; P63-P431 HydrophobicContact CB-CG 4.28Å; P63-A457 WeakPolarHBondContact CD-O 3.41Å; P63-Y460 HydrophobicContact CB-CD1 4.41Å; P63-Y460 HydrophobicContact CB-CE1 4.09Å; P63-Y460 HydrophobicContact CG-CD1 4.22Å; P63-Y460 HydrophobicContact CG-CD2 4.13Å; P63-Y460 HydrophobicContact CG-CE1 4.07Å; P63-Y460 HydrophobicContact CG-CE2 3.96Å; P63-Y460 HydrophobicContact CG-CG 4.25Å
64L93.4Very high94.9Very high19 Ų1923.4 Ų23.410%0.09914%0.143CC..Hα-helixtrans-67-40.1176.8-17963.9000113.1T62 V67 R119 N537 L538T62-L64 PolarHBondContact O-N 2.73Å; T62-L64 VanDerWaalsContact O-N 3.07Å; L64-V67 WeakPolarHBondContact O-CG2 3.28Å; L64-R119 PolarHBondContact O-NH2 3.01Å; L64-N537 WeakPolarHBondContact CD1-ND2 3.23Å; L64-L538 HydrophobicContact CD1-CD2 3.7Å
65C95.5Very high94.6Very high2 Ų229.6 Ų29.61%0.01417%0.166CC..Hα-helixtrans-90.4-20.1-176.9-66.50000113.1I61 T62 V67 L68 F69 D136 S139I61-C65 HydrophobicContact CG2-CB 3.96Å; T62-C65 PolarHBondContact O-N 3.39Å; T62-C65 PolarHBondContact OG1-N 2.78Å; C65-V67 PolarHBondContact O-N 2.95Å; C65-V67 VanDerWaalsContact O-N 3.14Å; C65-L68 VanDerWaalsContact O-CB 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.47Å; C65-L68 WeakPolarHBondContact O-CG 3.42Å; C65-L68 PolarHBondContact O-N 2.99Å; C65-F69 WeakPolarHBondContact O-CD2 3.43Å; C65-D136 PolarHBondContact SG-N 3.31Å; C65-D136 PolarHBondContact SG-OD2 3.4Å; C65-S139 VanDerWaalsContact CB-OG 3.23Å; C65-S139 WeakPolarHBondContact CB-OG 3.45Å
66H94.6Very high94.2Very high16 Ų1632.8 Ų32.87%0.07419%0.185CC..Hα-helixtrans-54.3-34.4179.7163.488.7000114.3C52 I53 A56 I61 T62 L68 F69 Y460C52-H66 VanDerWaalsContact C-CE1 3.47Å; C52-H66 VanDerWaalsContact CB-CE1 3.48Å; C52-H66 WeakPolarHBondContact CB-CE1 3.09Å; I53-H66 PolarHBondContact N-CE1 3.34Å; A56-H66 HydrophobicContact CB-CB 4.42Å; I61-H66 HydrophobicContact CG2-CB 4.38Å; T62-H66 PolarHBondContact O-N 3.45Å; H66-L68 PolarHBondContact O-N 3Å; H66-F69 PolarHBondContact O-N 3.24Å; H66-Y460 HydrophobicContact CB-CE1 3.81Å; H66-Y460 WeakPolarHBondContact CB-OH 3.32Å; H66-Y460 AromaticContact CG-CE1 3.81Å
67V94.3Very high93.9Very high68 Ų6840.1 Ų40.141%0.41222%0.217SC..THydrogen-bonded Turntrans-62.2-10.3177.6-62.20000113.8L64 C65 F69 F102 L403L64-V67 WeakPolarHBondContact O-CG2 3.28Å; C65-V67 PolarHBondContact O-N 2.95Å; C65-V67 VanDerWaalsContact O-N 3.14Å; V67-F69 VanDerWaalsContact C-N 3.34Å; V67-F102 WeakPolarHBondContact O-CD2 3.4Å; V67-L403 HydrophobicContact CG2-CD2 3.79Å
68L97.5Very high93.8Very high1 Ų138.3 Ų38.31%0.00521%0.207CC..THydrogen-bonded Turntrans-83.9-9.6174.6-56.5175.5000113.1C65 H66 M100 R101 F102 L135 L403C65-L68 VanDerWaalsContact O-CB 3.27Å; C65-L68 WeakPolarHBondContact O-CB 3.47Å; C65-L68 WeakPolarHBondContact O-CG 3.42Å; C65-L68 PolarHBondContact O-N 2.99Å; H66-L68 PolarHBondContact O-N 3Å; L68-M100 HydrophobicContact CB-CG 4.27Å; L68-R101 PolarHBondContact O-N 3.29Å; L68-F102 HydrophobicContact CD2-CB 4.17Å; L68-F102 PolarHBondContact O-N 2.95Å; L68-F102 VanDerWaalsContact O-N 3.12Å; L68-L135 HydrophobicContact CD1-CD2 3.34Å; L68-L403 HydrophobicContact CD2-CD1 3.75Å; L68-L403 HydrophobicContact CD2-CD2 3.81Å; L68-L403 HydrophobicContact CD2-CG 4.47Å
69F98Very high94Very high10 Ų1037.8 Ų37.84%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-112151.7-171.5-63.7-99.5000112.8I61 C65 H66 V67 Y98 C99 M100 Y142I61-F69 HydrophobicContact CD1-CD1 4.36Å; I61-F69 HydrophobicContact CD1-CD2 4.34Å; I61-F69 HydrophobicContact CD1-CE1 3.89Å; I61-F69 HydrophobicContact CD1-CE2 3.86Å; I61-F69 HydrophobicContact CD1-CZ 3.61Å; I61-F69 HydrophobicContact CG1-CE2 4.46Å; I61-F69 HydrophobicContact CG1-CZ 4.4Å; I61-F69 HydrophobicContact CG2-CD2 4.43Å; I61-F69 HydrophobicContact CG2-CE2 4.06Å; C65-F69 WeakPolarHBondContact O-CD2 3.43Å; H66-F69 PolarHBondContact O-N 3.24Å; V67-F69 VanDerWaalsContact C-N 3.34Å; F69-Y98 HydrophobicContact CB-CD2 4.28Å; F69-Y98 HydrophobicContact CB-CE1 4.44Å; F69-Y98 HydrophobicContact CB-CE2 3.41Å; F69-Y98 VanDerWaalsContact CB-CE2 3.41Å; F69-Y98 WeakPolarHBondContact CB-OH 3.36Å; F69-Y98 HydrophobicContact CD1-CD1 4.46Å; F69-Y98 AromaticContact CD1-CE1 3.87Å; F69-Y98 HydrophobicContact CD1-CE1 3.87Å; F69-Y98 HydrophobicContact CD1-CE2 4.26Å; F69-Y98 AromaticContact CD1-CZ 3.75Å; F69-Y98 HydrophobicContact CE1-CE1 4.42Å; F69-Y98 HydrophobicContact CG-CE1 4.25Å; F69-Y98 HydrophobicContact CG-CE2 4.09Å; F69-Y98 AromaticContact CG-CZ 3.66Å; F69-Y98 WeakPolarHBondContact CG-OH 3.4Å; F69-C99 CarbonylContact C-O 3.57Å; F69-C99 VanDerWaalsContact CA-O 3.24Å; F69-C99 WeakPolarHBondContact CA-O 3.45Å; F69-M100 HydrophobicContact CD1-CB 4.02Å; F69-M100 HydrophobicContact CE1-CB 3.79Å; F69-M100 HydrophobicContact CE1-CE 4.14Å; F69-M100 HydrophobicContact CE2-CE 3.9Å; F69-M100 HydrophobicContact CZ-CB 4.26Å; F69-M100 HydrophobicContact CZ-CE 3.47Å; F69-M100 VanDerWaalsContact CZ-CE 3.47Å; F69-Y142 HydrophobicContact CD1-CD1 4.38Å; F69-Y142 HydrophobicContact CD1-CE1 4.39Å; F69-Y142 AromaticContact CE1-CD1 3.56Å; F69-Y142 HydrophobicContact CE1-CD1 3.56Å; F69-Y142 AromaticContact CE1-CE1 3.99Å; F69-Y142 HydrophobicContact CE1-CE1 3.99Å; F69-Y142 HydrophobicContact CE1-CG 4.26Å; F69-Y142 HydrophobicContact CZ-CD1 4.41Å
70A98Very high94.1Very high9 Ų938.5 Ų38.57%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-151.3175.5176.900000111.1W79 C99 R101A70-W79 HydrophobicContact CB-CE3 3.7Å; A70-W79 HydrophobicContact CB-CZ3 3.85Å; A70-C99 PolarHBondContact N-O 3.38Å; A70-C99 PolarHBondContact O-N 3.26Å; A70-R101 HydrophobicContact CB-CB 4.01Å
71L97.8Very high94.2Very high1 Ų136.8 Ų36.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-97.7127.2175.9-60.6178.8000111.1V27 A48 L51 W79 Y80 F86 V96 H97 Y98V27-L71 HydrophobicContact CG1-CD2 4.03Å; A48-L71 HydrophobicContact CB-CD1 4.01Å; L51-L71 HydrophobicContact CB-CD1 3.92Å; L51-L71 HydrophobicContact CD1-CD1 4.03Å; L71-W79 WeakPolarHBondContact O-CA 3.34Å; L71-Y80 HydrophobicContact CB-CD2 4.09Å; L71-Y80 PolarHBondContact O-N 3.15Å; L71-F86 HydrophobicContact CD1-CE2 3.85Å; L71-F86 HydrophobicContact CD1-CZ 4.19Å; L71-V96 HydrophobicContact CB-CB 4.49Å; L71-V96 HydrophobicContact CD1-CG2 4.2Å; L71-V96 HydrophobicContact CD2-CG2 4.2Å; L71-H97 WeakPolarHBondContact CA-O 3.34Å; L71-Y98 HydrophobicContact CD2-CD2 4.2Å
72Y96.2Very high94.3Very high55 Ų5538.1 Ų38.122%0.21619%0.19CC..EExtended strand (participates in β ladder)trans-110133.4176.8178.3-110000110.8P74 K77 W79 V96 H97Y72-P74 HydrophobicContact CE1-CB 4.2Å; Y72-P74 WeakPolarHBondContact O-CD 3.5Å; Y72-K77 WeakPolarHBondContact OH-CA 3.43Å; Y72-W79 AromaticContact CD2-CD1 3.99Å; Y72-W79 AromaticContact CD2-CD2 3.82Å; Y72-W79 HydrophobicContact CD2-CD2 3.82Å; Y72-W79 AromaticContact CD2-CE2 3.64Å; Y72-W79 HydrophobicContact CD2-CE3 4.44Å; Y72-W79 HydrophobicContact CD2-CG 4.06Å; Y72-W79 HydrophobicContact CD2-CZ2 4.15Å; Y72-W79 AromaticContact CD2-NE1 3.72Å; Y72-W79 HydrophobicContact CG-CD2 4.37Å; Y72-W79 HydrophobicContact CG-CZ2 4.42Å; Y72-V96 CarbonylContact O-C 3.56Å; Y72-H97 PolarHBondContact N-O 3.21Å; Y72-H97 PolarHBondContact O-N 3.33Å
73N93.8Very high94.4Very high3 Ų338 Ų382%0.01619%0.188CC..  trans-96.4110.7172.3-171.5-37.8000110K75 T76 K77 Y78 Y80 E94N73-K75 PolarHBondContact O-N 3.3Å; N73-K75 WeakPolarHBondContact OD1-CA 3.41Å; N73-K75 WeakPolarHBondContact OD1-CB 3.39Å; N73-K75 PolarHBondContact OD1-N 2.93Å; N73-T76 VanDerWaalsContact CB-OG1 3.29Å; N73-T76 WeakPolarHBondContact CB-OG1 3.19Å; N73-T76 PolarHBondContact OD1-N 2.9Å; N73-K77 VanDerWaalsContact O-CA 3.27Å; N73-K77 WeakPolarHBondContact O-CA 3.31Å; N73-K77 PolarHBondContact O-N 3.37Å; N73-Y78 PolarHBondContact N-O 2.85Å; N73-Y80 HydrophobicContact CB-CE2 3.77Å; N73-Y80 PolarHBondContact ND2-OH 3.4Å; N73-E94 PolarHBondContact ND2-OE1 2.6Å
74P88.3Confident94.4Very high50 Ų5039.5 Ų39.533%0.32519%0.194SC..THydrogen-bonded Turntrans-68.6-20.8-178.729.6-37.1000113.7Y72Y72-P74 HydrophobicContact CE1-CB 4.2Å; Y72-P74 WeakPolarHBondContact O-CD 3.5Å
75K88.1Confident94.4Very high162 Ų16242.1 Ų42.170%0.70421%0.21SC*.THydrogen-bonded Turntrans-78.4-47.1179.1-62.1-179.5-178.7175.20111.3N73N73-K75 PolarHBondContact O-N 3.3Å; N73-K75 WeakPolarHBondContact OD1-CA 3.41Å; N73-K75 WeakPolarHBondContact OD1-CB 3.39Å; N73-K75 PolarHBondContact OD1-N 2.93Å
76T87.7Confident94.1Very high66 Ų6642.2 Ų42.241%0.40521%0.211SC..THydrogen-bonded Turntrans-88.5-16.7-178.663.80000113N73 Y78N73-T76 VanDerWaalsContact CB-OG1 3.29Å; N73-T76 WeakPolarHBondContact CB-OG1 3.19Å; N73-T76 PolarHBondContact OD1-N 2.9Å; T76-Y78 PolarHBondContact O-N 2.74Å
77K89.8Confident93.7Very high155 Ų15544.5 Ų44.567%0.67423%0.228SC*.  trans62.620.6-174.3-54.7-175.5177.5-176.30114.5Y72 N73Y72-K77 WeakPolarHBondContact OH-CA 3.43Å; N73-K77 VanDerWaalsContact O-CA 3.27Å; N73-K77 WeakPolarHBondContact O-CA 3.31Å; N73-K77 PolarHBondContact O-N 3.37Å
78Y91.6Very high92.9Very high50 Ų5042.5 Ų42.520%0.19622%0.217CC..  trans-107.5155.3175.4-56.4-51.8000111.7N73 T76 Q388 E389N73-Y78 PolarHBondContact N-O 2.85Å; T76-Y78 PolarHBondContact O-N 2.74Å; Y78-Q388 HydrophobicContact CD2-CB 4.39Å; Y78-Q388 HydrophobicContact CD2-CG 3.96Å; Y78-Q388 HydrophobicContact CG-CG 4.32Å; Y78-E389 HydrophobicContact CD1-CB 4.02Å; Y78-E389 HydrophobicContact CD1-CG 4.03Å; Y78-E389 HydrophobicContact CE1-CB 3.61Å; Y78-E389 HydrophobicContact CE1-CG 3.6Å
79W96.5Very high91.6Very high29 Ų2947.6 Ų47.611%0.1124%0.244CC..BIsolated β-bridgetrans-92.4149.9169.1-62.987.4000110.4A70 L71 Y72 C99 R101 E266 Q388 S392A70-W79 HydrophobicContact CB-CE3 3.7Å; A70-W79 HydrophobicContact CB-CZ3 3.85Å; L71-W79 WeakPolarHBondContact O-CA 3.34Å; Y72-W79 AromaticContact CD2-CD1 3.99Å; Y72-W79 AromaticContact CD2-CD2 3.82Å; Y72-W79 HydrophobicContact CD2-CD2 3.82Å; Y72-W79 AromaticContact CD2-CE2 3.64Å; Y72-W79 HydrophobicContact CD2-CE3 4.44Å; Y72-W79 HydrophobicContact CD2-CG 4.06Å; Y72-W79 HydrophobicContact CD2-CZ2 4.15Å; Y72-W79 AromaticContact CD2-NE1 3.72Å; Y72-W79 HydrophobicContact CG-CD2 4.37Å; Y72-W79 HydrophobicContact CG-CZ2 4.42Å; W79-C99 HydrophobicContact CH2-CB 3.37Å; W79-C99 HydrophobicContact CZ3-CB 3.63Å; W79-R101 HydrophobicContact CD2-CG 3.95Å; W79-R101 HydrophobicContact CE3-CB 4.15Å; W79-R101 HydrophobicContact CE3-CG 3.96Å; W79-R101 VanDerWaalsContact CG-NE 3.31Å; W79-R101 HydrophobicContact CH2-CB 3.63Å; W79-R101 HydrophobicContact CH2-CG 3.77Å; W79-R101 HydrophobicContact CZ2-CB 4.18Å; W79-R101 HydrophobicContact CZ2-CG 3.81Å; W79-R101 HydrophobicContact CZ3-CB 3.63Å; W79-R101 HydrophobicContact CZ3-CG 3.86Å; W79-E266 PolarHBondContact NE1-OE2 3.48Å; W79-Q388 PolarHBondContact O-NE2 3.31Å; W79-S392 WeakPolarHBondContact CB-OG 3.4Å; W79-S392 PolarHBondContact N-OG 3.25Å; W79-S392 WeakPolarHBondContact O-CB 3.38Å
80Y96.7Very high89.6Confident17 Ų1755.7 Ų55.77%0.06728%0.282CS..PPolyproline II helixtrans-86.5138.5171.5-67.7-80.2000110.8L71 N73 H84 F86 E94 V96L71-Y80 HydrophobicContact CB-CD2 4.09Å; L71-Y80 PolarHBondContact O-N 3.15Å; N73-Y80 HydrophobicContact CB-CE2 3.77Å; N73-Y80 PolarHBondContact ND2-OH 3.4Å; Y80-H84 HydrophobicContact CD1-CB 4.16Å; Y80-H84 AromaticContact CD1-CD2 3.33Å; Y80-H84 WeakPolarHBondContact CD1-CD2 3.3Å; Y80-H84 AromaticContact CD1-CE1 3.79Å; Y80-H84 AromaticContact CD1-CG 3.5Å; Y80-H84 VanDerWaalsContact CD1-CG 3.5Å; Y80-H84 AromaticContact CD1-ND1 3.78Å; Y80-H84 AromaticContact CD1-NE2 3.51Å; Y80-H84 AromaticContact CE1-CD2 3.74Å; Y80-H84 AromaticContact CE1-CE1 3.76Å; Y80-H84 AromaticContact CE1-NE2 3.41Å; Y80-H84 WeakPolarHBondContact CE1-NE2 3.32Å; Y80-F86 HydrophobicContact CD1-CE1 4.28Å; Y80-F86 AromaticContact CD1-CZ 3.92Å; Y80-F86 HydrophobicContact CD1-CZ 3.92Å; Y80-F86 HydrophobicContact CD2-CE1 4.37Å; Y80-F86 AromaticContact CD2-CZ 3.72Å; Y80-F86 HydrophobicContact CD2-CZ 3.72Å; Y80-F86 AromaticContact CE1-CE1 3.9Å; Y80-F86 HydrophobicContact CE1-CE1 3.9Å; Y80-F86 AromaticContact CE1-CZ 4Å; Y80-F86 HydrophobicContact CE1-CZ 4Å; Y80-F86 AromaticContact CE2-CE1 4Å; Y80-F86 HydrophobicContact CE2-CE1 4Å; Y80-F86 AromaticContact CE2-CZ 3.8Å; Y80-F86 HydrophobicContact CE2-CZ 3.8Å; Y80-F86 HydrophobicContact CG-CE1 4.49Å; Y80-F86 AromaticContact CG-CZ 3.77Å; Y80-F86 HydrophobicContact CG-CZ 3.77Å; Y80-F86 AromaticContact CZ-CE1 3.76Å; Y80-F86 AromaticContact CZ-CZ 3.94Å; Y80-E94 PolarHBondContact OH-OE1 3.15Å; Y80-V96 HydrophobicContact CD2-CG1 4.37Å; Y80-V96 HydrophobicContact CE2-CG1 3.67Å
81S96.4Very high87.4Confident0 Ų063.1 Ų63.10%032%0.321CS..PPolyproline II helixtrans-65.6147.6166.957.70000109.8A48 N83 H84A48-S81 WeakPolarHBondContact CB-O 3.29Å; S81-N83 WeakPolarHBondContact CB-OD1 3.36Å; S81-N83 PolarHBondContact O-N 3.37Å; S81-N83 VanDerWaalsContact O-N 3.13Å; S81-N83 PolarHBondContact OG-OD1 3.5Å; S81-H84 WeakPolarHBondContact O-CB 3.36Å; S81-H84 PolarHBondContact O-N 3.06Å
82P96.9Very high85.9Confident33 Ų3364.8 Ų64.821%0.21433%0.332CS..THydrogen-bonded Turntrans-57.4-29.5-177.6-2937.2000114.9E49 P417E49-P82 HydrophobicContact CB-CB 4.21Å; E49-P82 WeakPolarHBondContact CB-O 3.24Å; E49-P82 PolarHBondContact N-O 3.47Å; P82-P417 HydrophobicContact CB-CB 3.95Å; P82-P417 HydrophobicContact CB-CG 4.18Å; P82-P417 HydrophobicContact CG-CB 4.47Å; P82-P417 HydrophobicContact CG-CG 4.16Å
83N95.8Very high85.2Confident40 Ų4064.7 Ų64.721%0.21434%0.34CS..THydrogen-bonded Turntrans-86-1.6176.168.1-14.1000114.7S81 V85 E414 A416 P418S81-N83 WeakPolarHBondContact CB-OD1 3.36Å; S81-N83 PolarHBondContact O-N 3.37Å; S81-N83 VanDerWaalsContact O-N 3.13Å; S81-N83 PolarHBondContact OG-OD1 3.5Å; N83-V85 PolarHBondContact O-N 2.8Å; N83-E414 PolarHBondContact ND2-O 2.93Å; N83-E414 PolarHBondContact OD1-O 3.4Å; N83-A416 WeakPolarHBondContact CB-O 3.41Å; N83-P418 HydrophobicContact CB-CG 4.11Å
84H95.2Very high84.8Confident44 Ų4467.2 Ų67.220%0.20435%0.351CS..PPolyproline II helixtrans-58.8129.2177.7-179.984.4000109.6T47 A48 Y80 S81 F86T47-H84 CarbonylContact C-O 3.48Å; T47-H84 VanDerWaalsContact CA-O 3.24Å; T47-H84 WeakPolarHBondContact CA-O 3.48Å; A48-H84 HydrophobicContact CB-CB 4.26Å; A48-H84 PolarHBondContact N-O 3.13Å; Y80-H84 HydrophobicContact CD1-CB 4.16Å; Y80-H84 AromaticContact CD1-CD2 3.33Å; Y80-H84 WeakPolarHBondContact CD1-CD2 3.3Å; Y80-H84 AromaticContact CD1-CE1 3.79Å; Y80-H84 AromaticContact CD1-CG 3.5Å; Y80-H84 VanDerWaalsContact CD1-CG 3.5Å; Y80-H84 AromaticContact CD1-ND1 3.78Å; Y80-H84 AromaticContact CD1-NE2 3.51Å; Y80-H84 AromaticContact CE1-CD2 3.74Å; Y80-H84 AromaticContact CE1-CE1 3.76Å; Y80-H84 AromaticContact CE1-NE2 3.41Å; Y80-H84 WeakPolarHBondContact CE1-NE2 3.32Å; S81-H84 WeakPolarHBondContact O-CB 3.36Å; S81-H84 PolarHBondContact O-N 3.06Å; H84-F86 AromaticContact CD2-CD2 3.92Å; H84-F86 AromaticContact CD2-CE1 3.81Å; H84-F86 AromaticContact CD2-CE2 3.71Å; H84-F86 AromaticContact CD2-CZ 3.65Å; H84-F86 AromaticContact NE2-CD1 3.92Å; H84-F86 AromaticContact NE2-CE1 3.82Å
85V93.4Very high84.9Confident73 Ų7365.9 Ų65.944%0.44234%0.342SS..EExtended strand (participates in β ladder)trans-98.5121.9179.8-178.70000108.6D45 T47 N83D45-V85 HydrophobicContact CB-CG1 3.84Å; T47-V85 HydrophobicContact CG2-CG2 4.27Å; N83-V85 PolarHBondContact O-N 2.8Å
86F90.4Very high85.2Confident5 Ų558.1 Ų58.12%0.02231%0.308CS..EExtended strand (participates in β ladder)trans-89.8124.8167.4-63.4-85.7000109.3I25 D45 V46 A48 L51 L71 Y80 H84 V96I25-F86 HydrophobicContact CD1-CB 4.18Å; I25-F86 HydrophobicContact CD1-CD1 3.84Å; I25-F86 HydrophobicContact CD1-CG 4.32Å; I25-F86 HydrophobicContact CG1-CB 3.86Å; I25-F86 HydrophobicContact CG1-CD1 4.17Å; I25-F86 HydrophobicContact CG1-CG 4.18Å; I25-F86 HydrophobicContact CG2-CD1 4.35Å; D45-F86 WeakPolarHBondContact CA-O 3.38Å; V46-F86 HydrophobicContact CG1-CB 4.09Å; V46-F86 PolarHBondContact N-O 2.92Å; V46-F86 PolarHBondContact O-N 3.04Å; A48-F86 HydrophobicContact CB-CE2 3.9Å; L51-F86 HydrophobicContact CD1-CD2 3.61Å; L51-F86 HydrophobicContact CD1-CE2 3.82Å; L51-F86 HydrophobicContact CD1-CG 4.33Å; L71-F86 HydrophobicContact CD1-CE2 3.85Å; L71-F86 HydrophobicContact CD1-CZ 4.19Å; Y80-F86 HydrophobicContact CD1-CE1 4.28Å; Y80-F86 AromaticContact CD1-CZ 3.92Å; Y80-F86 HydrophobicContact CD1-CZ 3.92Å; Y80-F86 HydrophobicContact CD2-CE1 4.37Å; Y80-F86 AromaticContact CD2-CZ 3.72Å; Y80-F86 HydrophobicContact CD2-CZ 3.72Å; Y80-F86 AromaticContact CE1-CE1 3.9Å; Y80-F86 HydrophobicContact CE1-CE1 3.9Å; Y80-F86 AromaticContact CE1-CZ 4Å; Y80-F86 HydrophobicContact CE1-CZ 4Å; Y80-F86 AromaticContact CE2-CE1 4Å; Y80-F86 HydrophobicContact CE2-CE1 4Å; Y80-F86 AromaticContact CE2-CZ 3.8Å; Y80-F86 HydrophobicContact CE2-CZ 3.8Å; Y80-F86 HydrophobicContact CG-CE1 4.49Å; Y80-F86 AromaticContact CG-CZ 3.77Å; Y80-F86 HydrophobicContact CG-CZ 3.77Å; Y80-F86 AromaticContact CZ-CE1 3.76Å; Y80-F86 AromaticContact CZ-CZ 3.94Å; H84-F86 AromaticContact CD2-CD2 3.92Å; H84-F86 AromaticContact CD2-CE1 3.81Å; H84-F86 AromaticContact CD2-CE2 3.71Å; H84-F86 AromaticContact CD2-CZ 3.65Å; H84-F86 AromaticContact NE2-CD1 3.92Å; H84-F86 AromaticContact NE2-CE1 3.82Å; F86-V96 HydrophobicContact CE1-CG1 4.39Å; F86-V96 HydrophobicContact CZ-CG1 4.41Å
87S85.8Confident85.6Confident63 Ų6356.4 Ų56.444%0.44130%0.295SS..  trans-106.8104.3169.3-640000107.9D45 D89D45-S87 WeakPolarHBondContact OD1-CA 3.41Å; D45-S87 WeakPolarHBondContact OD1-CB 3.27Å; D45-S87 PolarHBondContact OD1-OG 2.97Å; S87-D89 PolarHBondContact O-N 3.32Å
88P78Confident86Confident27 Ų2749 Ų4918%0.17526%0.263CS..  trans-68.697.9179.125.2-30.4000109.9G44G44-P88 WeakPolarHBondContact O-CD 3.42Å
89D69.4Low86.2Confident108 Ų10846.9 Ų46.958%0.57826%0.256SS*.  trans-66.5151.1171.4-67.9-35.3000110.9S87 N91 S92S87-D89 PolarHBondContact O-N 3.32Å; D89-N91 PolarHBondContact O-N 2.78Å; D89-S92 PolarHBondContact O-N 2.82Å
90E55.1Low86.3Confident180 Ų18046 Ų4684%0.84125%0.253SS*.THydrogen-bonded Turntrans-58.1-16-178.9-67.3-173.4162.400114
91N52.5Low86.3Confident165 Ų16545.7 Ų45.788%0.88225%0.252SS*.THydrogen-bonded Turntrans-119.51.8-175-66.9-35.5000115.3D89D89-N91 PolarHBondContact O-N 2.78Å
92S66.6Low86.4Confident36 Ų3646.5 Ų46.525%0.25226%0.255SS..  trans-103.3134-177.668.10000112.2G24 D89G24-S92 PolarHBondContact N-O 3.03Å; D89-S92 PolarHBondContact O-N 2.82Å
93S80.9Confident86.3Confident53 Ų5345.5 Ų45.537%0.37125%0.247SC..EExtended strand (participates in β ladder)trans-123.291.6171.4166.10000107.9G24G24-S93 WeakPolarHBondContact O-CA 3.47Å
94E85.8Confident86.3Confident56 Ų5643.6 Ų43.626%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-98.5131.5-179-169.7163-152.700110.6G24 I25 H26 N73 Y80 V96G24-E94 PolarHBondContact O-N 3.21Å; I25-E94 HydrophobicContact CD1-CB 3.83Å; H26-E94 PolarHBondContact N-O 2.67Å; N73-E94 PolarHBondContact ND2-OE1 2.6Å; Y80-E94 PolarHBondContact OH-OE1 3.15Å; E94-V96 HydrophobicContact CG-CG1 4.25Å
95V90.9Very high86.1Confident21 Ų2142.5 Ų42.513%0.12723%0.231CC..EExtended strand (participates in β ladder)trans-111.9119.7178.4-177.80000108.5H26 Y38H26-V95 HydrophobicContact CB-CG2 4.18Å; H26-V95 WeakPolarHBondContact O-CA 3.28Å; Y38-V95 HydrophobicContact CE1-CG1 3.93Å
96V94.1Very high86.1Confident0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-119.8147178.2-62.30000109.4I25 H26 V27 Y28 L71 Y72 Y80 F86 E94I25-V96 HydrophobicContact CG2-CG2 4.17Å; H26-V96 PolarHBondContact O-N 2.89Å; V27-V96 CarbonylContact C-O 3.52Å; V27-V96 WeakPolarHBondContact CA-O 3.49Å; V27-V96 HydrophobicContact CB-CG2 4.44Å; V27-V96 HydrophobicContact CG2-CG2 3.96Å; Y28-V96 PolarHBondContact N-O 3.07Å; L71-V96 HydrophobicContact CB-CB 4.49Å; L71-V96 HydrophobicContact CD1-CG2 4.2Å; L71-V96 HydrophobicContact CD2-CG2 4.2Å; Y72-V96 CarbonylContact O-C 3.56Å; Y80-V96 HydrophobicContact CD2-CG1 4.37Å; Y80-V96 HydrophobicContact CE2-CG1 3.67Å; F86-V96 HydrophobicContact CE1-CG1 4.39Å; F86-V96 HydrophobicContact CZ-CG1 4.41Å; E94-V96 HydrophobicContact CG-CG1 4.25Å
97H95.9Very high86.2Confident29 Ų2939.8 Ų39.813%0.13421%0.213CC..EExtended strand (participates in β ladder)trans-99.1130.5179.7-66.9-168.8000109.8Y28 F30 L71 Y72 C99Y28-H97 AromaticContact CD1-CD2 3.96Å; F30-H97 HydrophobicContact CE2-CB 4.47Å; F30-H97 HydrophobicContact CZ-CB 4.36Å; F30-H97 AromaticContact CZ-ND1 3.92Å; L71-H97 WeakPolarHBondContact CA-O 3.34Å; Y72-H97 PolarHBondContact N-O 3.21Å; Y72-H97 PolarHBondContact O-N 3.33Å; H97-C99 VanDerWaalsContact CB-SG 3.55Å; H97-C99 PolarHBondContact O-N 3.29Å
98Y97.7Very high86.4Confident0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-81.3112168.5-178.9-121.4000108.8Y28 L29 F30 C52 A55 A56 I61 F69 L71 Y142Y28-Y98 PolarHBondContact O-N 2.9Å; L29-Y98 HydrophobicContact CD2-CD1 3.93Å; L29-Y98 HydrophobicContact CD2-CG 4.26Å; F30-Y98 WeakPolarHBondContact CD2-O 3.45Å; F30-Y98 WeakPolarHBondContact CE2-O 3.44Å; C52-Y98 HydrophobicContact CB-CD2 4.44Å; C52-Y98 HydrophobicContact CB-CE2 3.94Å; A55-Y98 HydrophobicContact CB-CD1 3.73Å; A55-Y98 HydrophobicContact CB-CD2 3.88Å; A55-Y98 HydrophobicContact CB-CE1 3.98Å; A55-Y98 HydrophobicContact CB-CE2 4.1Å; A55-Y98 HydrophobicContact CB-CG 3.7Å; A56-Y98 WeakPolarHBondContact CB-OH 3.4Å; I61-Y98 HydrophobicContact CD1-CE1 3.74Å; F69-Y98 HydrophobicContact CB-CD2 4.28Å; F69-Y98 HydrophobicContact CB-CE1 4.44Å; F69-Y98 HydrophobicContact CB-CE2 3.41Å; F69-Y98 VanDerWaalsContact CB-CE2 3.41Å; F69-Y98 WeakPolarHBondContact CB-OH 3.36Å; F69-Y98 HydrophobicContact CD1-CD1 4.46Å; F69-Y98 AromaticContact CD1-CE1 3.87Å; F69-Y98 HydrophobicContact CD1-CE1 3.87Å; F69-Y98 HydrophobicContact CD1-CE2 4.26Å; F69-Y98 AromaticContact CD1-CZ 3.75Å; F69-Y98 HydrophobicContact CE1-CE1 4.42Å; F69-Y98 HydrophobicContact CG-CE1 4.25Å; F69-Y98 HydrophobicContact CG-CE2 4.09Å; F69-Y98 AromaticContact CG-CZ 3.66Å; F69-Y98 WeakPolarHBondContact CG-OH 3.4Å; L71-Y98 HydrophobicContact CD2-CD2 4.2Å; Y98-Y142 HydrophobicContact CD1-CE1 4.12Å; Y98-Y142 HydrophobicContact CD1-CE2 4.15Å; Y98-Y142 AromaticContact CD1-CZ 3.62Å; Y98-Y142 WeakPolarHBondContact CD1-OH 3.39Å; Y98-Y142 VanDerWaalsContact O-CE1 3.3Å; Y98-Y142 WeakPolarHBondContact O-CE1 3.46Å; Y98-Y142 PolarHBondContact O-OH 2.79Å
99C96.8Very high86.8Confident5 Ų538.7 Ų38.73%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-129.9146.7-171.7-61.40000110.7F30 F69 A70 W79 H97 R101 Q146F30-C99 VanDerWaalsContact CE2-SG 3.54Å; F69-C99 CarbonylContact C-O 3.57Å; F69-C99 VanDerWaalsContact CA-O 3.24Å; F69-C99 WeakPolarHBondContact CA-O 3.45Å; A70-C99 PolarHBondContact N-O 3.38Å; A70-C99 PolarHBondContact O-N 3.26Å; W79-C99 HydrophobicContact CH2-CB 3.37Å; W79-C99 HydrophobicContact CZ3-CB 3.63Å; H97-C99 VanDerWaalsContact CB-SG 3.55Å; H97-C99 PolarHBondContact O-N 3.29Å; C99-R101 PolarHBondContact O-N 2.75Å; C99-Q146 VanDerWaalsContact CA-OE1 3.31Å
100M97.6Very high87.6Confident11 Ų1138.1 Ų38.15%0.05421%0.205CC..EExtended strand (participates in β ladder)trans-66.5123159.7-173.3175.1-68.400108L68 F69 Y103 L135 L143 Q146L68-M100 HydrophobicContact CB-CG 4.27Å; F69-M100 HydrophobicContact CD1-CB 4.02Å; F69-M100 HydrophobicContact CE1-CB 3.79Å; F69-M100 HydrophobicContact CE1-CE 4.14Å; F69-M100 HydrophobicContact CE2-CE 3.9Å; F69-M100 HydrophobicContact CZ-CB 4.26Å; F69-M100 HydrophobicContact CZ-CE 3.47Å; F69-M100 VanDerWaalsContact CZ-CE 3.47Å; M100-Y103 HydrophobicContact SD-CD2 4.24Å; M100-L135 HydrophobicContact CE-CD1 4.2Å; M100-L135 HydrophobicContact CE-CD2 3.75Å; M100-L135 HydrophobicContact SD-CD2 4.41Å; M100-L143 HydrophobicContact CB-CD1 4.46Å; M100-L143 HydrophobicContact CE-CB 4.01Å; M100-L143 HydrophobicContact CE-CD2 4.4Å; M100-L143 HydrophobicContact SD-CB 4.32Å; M100-L143 HydrophobicContact SD-CD1 3.84Å; M100-L143 HydrophobicContact SD-CD2 3.99Å; M100-L143 HydrophobicContact SD-CG 4.26Å; M100-Q146 PolarHBondContact O-NE2 3.1Å; M100-Q146 VanDerWaalsContact O-NE2 3.11Å
101R97.3Very high89.1Confident11 Ų1130.7 Ų30.74%0.04217%0.171CC..  trans-109.1-45.1-178-170.4-179.3-172.6-1700.5111.8L68 A70 W79 C99 Y103 E266 S392 S395 L396L68-R101 PolarHBondContact O-N 3.29Å; A70-R101 HydrophobicContact CB-CB 4.01Å; W79-R101 HydrophobicContact CD2-CG 3.95Å; W79-R101 HydrophobicContact CE3-CB 4.15Å; W79-R101 HydrophobicContact CE3-CG 3.96Å; W79-R101 VanDerWaalsContact CG-NE 3.31Å; W79-R101 HydrophobicContact CH2-CB 3.63Å; W79-R101 HydrophobicContact CH2-CG 3.77Å; W79-R101 HydrophobicContact CZ2-CB 4.18Å; W79-R101 HydrophobicContact CZ2-CG 3.81Å; W79-R101 HydrophobicContact CZ3-CB 3.63Å; W79-R101 HydrophobicContact CZ3-CG 3.86Å; C99-R101 PolarHBondContact O-N 2.75Å; R101-Y103 PolarHBondContact O-N 2.93Å; R101-E266 VanDerWaalsContact CG-OE1 3.26Å; R101-E266 WeakPolarHBondContact CG-OE1 3.46Å; R101-E266 IonicContact CZ-OE1 3.5Å; R101-E266 IonicContact CZ-OE2 3.35Å; R101-E266 IonicContact NE-OE1 3.36Å; R101-E266 PolarHBondContact NE-OE1 2.87Å; R101-E266 IonicContact NE-OE2 2.66Å; R101-E266 IonicContact NH2-OE1 2.7Å; R101-E266 IonicContact NH2-OE2 3.91Å; R101-E266 PolarHBondContact NH2-OE2 3.09Å; R101-S392 PolarHBondContact NH1-O 2.66Å; R101-S392 PolarHBondContact NH2-O 3.06Å; R101-S392 PolarHBondContact NH2-OG 2.92Å; R101-S395 PolarHBondContact NH1-OG 2.68Å; R101-L396 HydrophobicContact CG-CD1 4.22Å
102F97.7Very high90.4Very high16 Ų1632.1 Ų32.17%0.0717%0.173CC..  trans-87.8101.2-176.1-54.4-78.9000109.6V67 L68 L396 G399 Y400 L403V67-F102 WeakPolarHBondContact O-CD2 3.4Å; L68-F102 HydrophobicContact CD2-CB 4.17Å; L68-F102 PolarHBondContact O-N 2.95Å; L68-F102 VanDerWaalsContact O-N 3.12Å; F102-L396 HydrophobicContact CD1-CD1 4.17Å; F102-L396 HydrophobicContact CE1-CD1 3.98Å; F102-L396 WeakPolarHBondContact CE1-O 3.28Å; F102-G399 VanDerWaalsContact CE1-CA 3.41Å; F102-Y400 HydrophobicContact CB-CD1 4.42Å; F102-Y400 HydrophobicContact CB-CE1 3.99Å; F102-Y400 HydrophobicContact CD1-CD1 4.12Å; F102-Y400 HydrophobicContact CD1-CD2 4.15Å; F102-Y400 HydrophobicContact CD1-CE1 4.17Å; F102-Y400 HydrophobicContact CD1-CE2 4.22Å; F102-Y400 HydrophobicContact CD1-CG 4.09Å; F102-L403 HydrophobicContact CB-CD1 3.45Å; F102-L403 VanDerWaalsContact CB-CD1 3.45Å; F102-L403 HydrophobicContact CD1-CD1 4.23Å; F102-L403 HydrophobicContact CD2-CD1 4.4Å; F102-L403 HydrophobicContact CG-CD1 3.78Å
103Y96.1Very high91Very high12 Ų1240 Ų405%0.04720%0.202CC..  trans-117137.8-171.9-169.3-96.9000111.4M100 R101 R105 W107 L143 I253 E257 F263 Y400M100-Y103 HydrophobicContact SD-CD2 4.24Å; R101-Y103 PolarHBondContact O-N 2.93Å; Y103-R105 HydrophobicContact CD1-CG 4.13Å; Y103-R105 HydrophobicContact CE1-CB 4.45Å; Y103-R105 HydrophobicContact CE1-CG 3.91Å; Y103-W107 AromaticContact CE2-CD1 3.94Å; Y103-W107 AromaticContact CE2-NE1 3.69Å; Y103-W107 AromaticContact CZ-CD1 3.71Å; Y103-W107 AromaticContact CZ-NE1 3.63Å; Y103-W107 PolarHBondContact OH-NE1 3.07Å; Y103-L143 HydrophobicContact CD2-CD1 4.43Å; Y103-L143 HydrophobicContact CE2-CD1 4.21Å; Y103-L143 HydrophobicContact CE2-CD2 3.88Å; Y103-I253 VanDerWaalsContact OH-CG2 3.22Å; Y103-I253 WeakPolarHBondContact OH-CG2 3.33Å; Y103-E257 HydrophobicContact CE1-CG 4.36Å; Y103-E257 WeakPolarHBondContact CE1-OE1 3.49Å; Y103-E257 VanDerWaalsContact CZ-OE1 3.24Å; Y103-E257 PolarHBondContact OH-OE1 2.99Å; Y103-F263 HydrophobicContact CE1-CD1 4.21Å; Y103-F263 HydrophobicContact CE1-CE1 4.03Å; Y103-F263 HydrophobicContact CE2-CE1 4.01Å; Y103-F263 AromaticContact CZ-CE1 3.66Å; Y103-Y400 PolarHBondContact N-OH 3.42Å; Y103-Y400 PolarHBondContact O-OH 3.18Å
104F94.7Very high91Very high1 Ų139.9 Ų39.90%0.00420%0.196CC..  trans-118111.1174.5-64.8-92.5000108.7W107 V117 L134 G310 T311 Y400 L403 T404 V540 R542F104-W107 WeakPolarHBondContact O-CB 3.22Å; F104-W107 PolarHBondContact O-N 2.93Å; F104-V117 HydrophobicContact CB-CB 4.25Å; F104-V117 HydrophobicContact CB-CG1 3.8Å; F104-V117 HydrophobicContact CB-CG2 4.2Å; F104-V117 HydrophobicContact CD1-CG1 4.14Å; F104-V117 HydrophobicContact CG-CG1 4Å; F104-L134 HydrophobicContact CB-CD2 4.08Å; F104-L134 HydrophobicContact CD2-CD2 3.84Å; F104-L134 HydrophobicContact CG-CD2 4.32Å; F104-G310 WeakPolarHBondContact CE1-O 3.39Å; F104-T311 HydrophobicContact CB-CG2 4.35Å; F104-T311 HydrophobicContact CD1-CG2 4.38Å; F104-Y400 HydrophobicContact CE1-CD1 4.42Å; F104-Y400 HydrophobicContact CE2-CD1 4.48Å; F104-Y400 HydrophobicContact CE2-CE1 4.35Å; F104-Y400 AromaticContact CZ-CD1 3.98Å; F104-Y400 HydrophobicContact CZ-CD1 3.98Å; F104-Y400 HydrophobicContact CZ-CE1 4.19Å; F104-L403 HydrophobicContact CE2-CB 4.38Å; F104-L403 HydrophobicContact CE2-CD1 4.18Å; F104-L403 HydrophobicContact CZ-CB 4.03Å; F104-L403 HydrophobicContact CZ-CD1 4.47Å; F104-T404 HydrophobicContact CE1-CG2 3.73Å; F104-T404 HydrophobicContact CZ-CG2 3.82Å; F104-V540 HydrophobicContact CD1-CG1 4.09Å; F104-V540 HydrophobicContact CD2-CG1 4.25Å; F104-V540 HydrophobicContact CE1-CB 4.34Å; F104-V540 HydrophobicContact CE1-CG1 3.96Å; F104-V540 HydrophobicContact CE2-CB 4.29Å; F104-V540 HydrophobicContact CE2-CG1 4.12Å; F104-V540 HydrophobicContact CE2-CG2 3.9Å; F104-V540 HydrophobicContact CG-CG1 4.23Å; F104-V540 HydrophobicContact CZ-CB 4Å; F104-V540 HydrophobicContact CZ-CG1 3.97Å; F104-V540 HydrophobicContact CZ-CG2 4.02Å; F104-R542 HydrophobicContact CD1-CG 4.47Å
105R92.5Very high90.7Very high21 Ų2140 Ų408%0.07920%0.201CC..THydrogen-bonded Turntrans-58.2146.3178.3-68.8-179.764.5100.2-1.2111.4Y103 W107 E114 E257 P261 F263Y103-R105 HydrophobicContact CD1-CG 4.13Å; Y103-R105 HydrophobicContact CE1-CB 4.45Å; Y103-R105 HydrophobicContact CE1-CG 3.91Å; R105-W107 PolarHBondContact O-N 2.96Å; R105-E114 IonicContact NE-OE1 3.33Å; R105-E114 IonicContact NE-OE2 3.79Å; R105-E114 IonicContact NH2-OE1 3.52Å; R105-E257 WeakPolarHBondContact CA-OE1 3.3Å; R105-E257 PolarHBondContact NH1-O 3.18Å; R105-E257 VanDerWaalsContact NH1-O 3.17Å; R105-E257 PolarHBondContact NH2-O 3.36Å; R105-P261 PolarHBondContact NH1-O 3.17Å; R105-F263 PolarHBondContact NH1-O 2.94Å
106N92.4Very high90.4Very high0 Ų041.6 Ų41.60%021%0.211CC..THydrogen-bonded Turntrans58.227.8-177.9-162.638.2000115.3H108 G109 L110 N111 E114 P115 E257N106-H108 PolarHBondContact O-N 2.91Å; N106-G109 PolarHBondContact O-N 3.11Å; N106-G109 VanDerWaalsContact O-N 3.08Å; N106-G109 WeakPolarHBondContact OD1-CA 3.43Å; N106-G109 PolarHBondContact OD1-N 2.71Å; N106-L110 PolarHBondContact OD1-N 2.9Å; N106-N111 PolarHBondContact ND2-O 3.32Å; N106-N111 WeakPolarHBondContact OD1-CB 3.49Å; N106-N111 PolarHBondContact OD1-N 3.46Å; N106-E114 HydrophobicContact CB-CB 3.88Å; N106-E114 PolarHBondContact ND2-O 3.09Å; N106-P115 PolarHBondContact ND2-O 3.3Å; N106-E257 PolarHBondContact N-OE1 2.77Å; N106-E257 PolarHBondContact N-OE2 3.47Å
107W91.9Very high90.2Very high21 Ų2141.9 Ų41.98%0.0821%0.213CC..THydrogen-bonded Turntrans-60.9-23.8171.466.2-87000113.3Y103 F104 R105 L134 L135 L140 L143 Y250 I253Y103-W107 AromaticContact CE2-CD1 3.94Å; Y103-W107 AromaticContact CE2-NE1 3.69Å; Y103-W107 AromaticContact CZ-CD1 3.71Å; Y103-W107 AromaticContact CZ-NE1 3.63Å; Y103-W107 PolarHBondContact OH-NE1 3.07Å; F104-W107 WeakPolarHBondContact O-CB 3.22Å; F104-W107 PolarHBondContact O-N 2.93Å; R105-W107 PolarHBondContact O-N 2.96Å; W107-L134 HydrophobicContact CB-CB 4.47Å; W107-L134 HydrophobicContact CB-CD2 3.76Å; W107-L134 HydrophobicContact CG-CD2 4.38Å; W107-L135 HydrophobicContact CD2-CD1 4.09Å; W107-L135 HydrophobicContact CD2-CG 4.46Å; W107-L135 HydrophobicContact CE3-CD1 4.04Å; W107-L135 HydrophobicContact CE3-CG 4.12Å; W107-L135 HydrophobicContact CH2-CD1 3.61Å; W107-L135 HydrophobicContact CH2-CG 4.39Å; W107-L135 HydrophobicContact CZ2-CD1 3.68Å; W107-L135 HydrophobicContact CZ3-CB 4.22Å; W107-L135 HydrophobicContact CZ3-CD1 3.78Å; W107-L135 HydrophobicContact CZ3-CG 4.06Å; W107-L140 HydrophobicContact CH2-CD1 3.61Å; W107-L140 HydrophobicContact CH2-CD2 4.43Å; W107-L140 HydrophobicContact CH2-CG 4.42Å; W107-L140 HydrophobicContact CZ2-CD1 3.95Å; W107-L143 HydrophobicContact CZ2-CD2 4Å; W107-Y250 AromaticContact CH2-CD1 3.7Å; W107-Y250 HydrophobicContact CH2-CD1 3.7Å; W107-Y250 AromaticContact CH2-CE1 3.34Å; W107-Y250 HydrophobicContact CH2-CE1 3.34Å; W107-Y250 HydrophobicContact CZ2-CD1 4.31Å; W107-Y250 HydrophobicContact CZ2-CE1 4.35Å; W107-Y250 HydrophobicContact CZ3-CD1 4.21Å; W107-Y250 AromaticContact CZ3-CE1 3.53Å; W107-Y250 HydrophobicContact CZ3-CE1 3.53Å; W107-I253 HydrophobicContact CZ2-CD1 4.15Å
108H90.1Very high89.9Confident28 Ų2841.3 Ų41.313%0.1321%0.213CC..THydrogen-bonded Turntrans-84-10.2176.556.165.1000113.5N106 L110 Y250 S254 E257N106-H108 PolarHBondContact O-N 2.91Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 VanDerWaalsContact ND1-CB 3.33Å; H108-L110 WeakPolarHBondContact ND1-CB 3.38Å; H108-L110 WeakPolarHBondContact ND1-CG 3.46Å; H108-L110 PolarHBondContact ND1-N 3.31Å; H108-L110 PolarHBondContact O-N 3.24Å; H108-Y250 HydrophobicContact CB-CD1 3.72Å; H108-Y250 HydrophobicContact CB-CE1 4.27Å; H108-Y250 HydrophobicContact CB-CG 4.46Å; H108-S254 VanDerWaalsContact CE1-CB 3.45Å; H108-S254 WeakPolarHBondContact CE1-CB 3.49Å; H108-S254 PolarHBondContact CE1-OG 2.97Å; H108-E257 IonicContact CE1-OE2 3.86Å; H108-E257 IonicContact NE2-OE1 3.26Å; H108-E257 IonicContact NE2-OE2 3.05Å; H108-E257 PolarHBondContact NE2-OE2 2.85Å
109G86.9Confident89.6Confident39 Ų3941.5 Ų41.540%0.40221%0.213SC..  trans65.825.9175.300000115.9N106N106-G109 PolarHBondContact O-N 3.11Å; N106-G109 VanDerWaalsContact O-N 3.08Å; N106-G109 WeakPolarHBondContact OD1-CA 3.43Å; N106-G109 PolarHBondContact OD1-N 2.71Å
110L87.1Confident89.1Confident95 Ų9542.3 Ų42.350%0.49722%0.216SC..  trans-92.3-13.9-179.9-64175.5000112.6N106 H108N106-L110 PolarHBondContact OD1-N 2.9Å; H108-L110 VanDerWaalsContact C-N 3.34Å; H108-L110 VanDerWaalsContact ND1-CB 3.33Å; H108-L110 WeakPolarHBondContact ND1-CB 3.38Å; H108-L110 WeakPolarHBondContact ND1-CG 3.46Å; H108-L110 PolarHBondContact ND1-N 3.31Å; H108-L110 PolarHBondContact O-N 3.24Å
111N85.4Confident88.4Confident24 Ų2445.3 Ų45.313%0.12824%0.236CC..  trans-103.2109176.9-173.8-5.7000109.7N106 K113 E114N106-N111 PolarHBondContact ND2-O 3.32Å; N106-N111 WeakPolarHBondContact OD1-CB 3.49Å; N106-N111 PolarHBondContact OD1-N 3.46Å; N111-K113 PolarHBondContact O-N 3.11Å; N111-K113 WeakPolarHBondContact OD1-CB 3.24Å; N111-K113 PolarHBondContact OD1-N 2.92Å; N111-E114 PolarHBondContact O-N 3.42Å
112E80.4Confident87.5Confident196 Ų19647.8 Ų47.892%0.91625%0.249SC*.THydrogen-bonded Turntrans-70.2-17.7179.5-63.1-179.3172.200113.2
113K79.4Confident85.6Confident201 Ų20156.5 Ų56.587%0.87429%0.287SS*.THydrogen-bonded Turntrans-82.4-19-179.2-59.4-177.2-179.6-179.40113.3N111N111-K113 PolarHBondContact O-N 3.11Å; N111-K113 WeakPolarHBondContact OD1-CB 3.24Å; N111-K113 PolarHBondContact OD1-N 2.92Å
114E79.9Confident83.1Confident50 Ų5059.9 Ų59.923%0.23431%0.312CS..SBendtrans-108.3148.2-179.9-70.9-173.1-16700110R105 N106 N111R105-E114 IonicContact NE-OE1 3.33Å; R105-E114 IonicContact NE-OE2 3.79Å; R105-E114 IonicContact NH2-OE1 3.52Å; N106-E114 HydrophobicContact CB-CB 3.88Å; N106-E114 PolarHBondContact ND2-O 3.09Å; N111-E114 PolarHBondContact O-N 3.42Å
115P79.7Confident80.5Confident58 Ų5863.9 Ų63.938%0.37735%0.354SS..  trans-64.3143.6178.126.5-33.4000111.2N106 Q543N106-P115 PolarHBondContact ND2-O 3.3Å; P115-Q543 HydrophobicContact CB-CB 4.38Å; P115-Q543 WeakPolarHBondContact CB-O 3.4Å
116T84.4Confident77.7Confident55 Ų5568.6 Ų68.634%0.33739%0.386SS..  trans-76.6152.217476.60000111.3Q543T116-Q543 VanDerWaalsContact O-CB 3.29Å; T116-Q543 WeakPolarHBondContact O-CB 3.48Å; T116-Q543 PolarHBondContact O-N 2.85Å; T116-Q543 VanDerWaalsContact O-N 3.11Å; T116-Q543 PolarHBondContact OG1-OE1 3.34Å
117V90.1Very high74.9Confident6 Ų675 Ų754%0.03642%0.42CS..EExtended strand (participates in β ladder)trans-126.5132-177.8-1760000109.8F104 T311 V540 K541F104-V117 HydrophobicContact CB-CB 4.25Å; F104-V117 HydrophobicContact CB-CG1 3.8Å; F104-V117 HydrophobicContact CB-CG2 4.2Å; F104-V117 HydrophobicContact CD1-CG1 4.14Å; F104-V117 HydrophobicContact CG-CG1 4Å; V117-T311 HydrophobicContact CG2-CG2 4.11Å; V117-V540 HydrophobicContact CG1-CG1 3.19Å; V117-K541 WeakPolarHBondContact CA-O 3.28Å
118S90.4Very high72.3Confident18 Ų1881.3 Ų81.313%0.12646%0.455CS..EExtended strand (participates in β ladder)trans-148.9167.6-179.752.80000110.9K541S118-K541 PolarHBondContact N-O 2.68Å; S118-K541 VanDerWaalsContact N-O 3.09Å; S118-K541 WeakPolarHBondContact O-CA 3.39Å; S118-K541 WeakPolarHBondContact O-CB 3.38Å; S118-K541 PolarHBondContact O-N 3.1Å
119R90.3Very high70.1Confident3 Ų387.2 Ų87.21%0.01149%0.487CS..EExtended strand (participates in β ladder)trans-83.9155.6169.2-75172.9-178.2-72.51110.7L64 S132 L134 N537 L538L64-R119 PolarHBondContact O-NH2 3.01Å; R119-S132 VanDerWaalsContact CB-OG 3.22Å; R119-S132 WeakPolarHBondContact CB-OG 3.47Å; R119-S132 PolarHBondContact N-O 3.14Å; R119-S132 PolarHBondContact O-N 3.28Å; R119-L134 HydrophobicContact CG-CD1 4.17Å; R119-L134 PolarHBondContact NE-O 3.31Å; R119-L134 VanDerWaalsContact NE-O 3.09Å; R119-N537 WeakPolarHBondContact CD-O 3.32Å; R119-N537 PolarHBondContact NH1-O 3.02Å; R119-L538 PolarHBondContact NH1-O 2.8Å; R119-L538 VanDerWaalsContact NH1-O 3.13Å
120H87.6Confident68.4Low22 Ų2291.2 Ų91.210%0.10250%0.504CS..  trans-68.4140.4177.3-72.8-98.2000112F436 I535 L539H120-F436 HydrophobicContact CB-CZ 4.42Å; H120-F436 WeakPolarHBondContact O-CZ 3.47Å; H120-I535 HydrophobicContact CB-CG2 3.73Å; H120-I535 VanDerWaalsContact CG-CG2 3.49Å; H120-I535 VanDerWaalsContact ND1-CG2 3.31Å; H120-I535 WeakPolarHBondContact ND1-CG2 3.43Å; H120-L539 PolarHBondContact CD2-O 3.27Å; H120-L539 PolarHBondContact N-O 2.84Å
121T83.1Confident67.1Low75 Ų7587.9 Ų87.946%0.4649%0.493SS..  trans-127.2150.4175.953.30000111S132T121-S132 VanDerWaalsContact CG2-CB 3.45Å; T121-S132 VanDerWaalsContact CG2-N 3.28Å
122L76.6Confident66.7Low62 Ų6288.2 Ų88.233%0.32550%0.497SS..  trans-79.4134.4170.6-80.2157.8000109.3S124 D435 F436 H439L122-S124 PolarHBondContact O-N 2.87Å; L122-S124 VanDerWaalsContact O-N 3.12Å; L122-D435 HydrophobicContact CD1-CB 3.74Å; L122-D435 VanDerWaalsContact CD1-O 3.25Å; L122-D435 WeakPolarHBondContact CD1-O 3.22Å; L122-F436 HydrophobicContact CD1-CB 4.36Å; L122-F436 HydrophobicContact CD1-CD1 3.78Å; L122-F436 HydrophobicContact CD1-CD2 4.24Å; L122-F436 HydrophobicContact CD1-CE1 4.07Å; L122-F436 HydrophobicContact CD1-CE2 4.5Å; L122-F436 HydrophobicContact CD1-CG 3.87Å; L122-F436 HydrophobicContact CD1-CZ 4.43Å; L122-F436 HydrophobicContact CD2-CE1 4.41Å; L122-F436 HydrophobicContact CG-CD1 3.99Å; L122-F436 HydrophobicContact CG-CE1 3.77Å; L122-F436 HydrophobicContact CG-CG 4.46Å; L122-F436 HydrophobicContact CG-CZ 4.07Å; L122-H439 HydrophobicContact CD1-CB 3.87Å; L122-H439 HydrophobicContact CD2-CB 4.24Å
123K59.7Low67Low200 Ų20083.4 Ų83.487%0.8748%0.483SS*.  trans-71.2107-179.5-67.4-178.7-179.1176.30110.2
124S42.1Very low67.5Low82 Ų8274.1 Ų74.157%0.57344%0.443SS*.  trans-88.7132160.8143.30000107.8L122 T126L122-S124 PolarHBondContact O-N 2.87Å; L122-S124 VanDerWaalsContact O-N 3.12Å; S124-T126 PolarHBondContact O-N 2.86Å
125G39.8Very low68.1Low85 Ų8572.5 Ų72.588%0.87644%0.436SS*.THydrogen-bonded Turntrans-66.120.8-16100000119
126T35.2Very low68.7Low121 Ų12171.3 Ų71.374%0.74243%0.426SS*.THydrogen-bonded Turntrans-138-5.4-179.4470000116.5S124S124-T126 PolarHBondContact O-N 2.86Å
127D32.4Very low69Low134 Ų13473.5 Ų73.572%0.71744%0.435SS*.  trans-111.5122.3-175.3-68.6-33.5000114.4N129D127-N129 PolarHBondContact O-N 3.38Å
128N37Very low69.1Low153 Ų15374.1 Ų74.182%0.81844%0.439SS*.  trans-55.7116.7174.7-80.8-28.7000111.6T130N128-T130 PolarHBondContact O-N 3.27Å; N128-T130 PolarHBondContact O-OG1 3.14Å
129N44.2Very low69.4Low152 Ų15273.3 Ų73.381%0.81343%0.433SS*.SBendtrans37.21.1149.1-97.4-1.1000123.1D127 G131D127-N129 PolarHBondContact O-N 3.38Å; N129-G131 PolarHBondContact O-N 3.24Å
130T51.7Low69.6Low124 Ų12473.4 Ų73.476%0.76143%0.433SS*.  trans-84.2105.5178.346.20000109N128N128-T130 PolarHBondContact O-N 3.27Å; N128-T130 PolarHBondContact O-OG1 3.14Å
131G59.8Low69.9Low25 Ų2574.3 Ų74.326%0.25844%0.438SS..PPolyproline II helixtrans-60.6161.1171.300000111.3N129N129-G131 PolarHBondContact O-N 3.24Å
132S77.8Confident70.5Confident30 Ų3070.8 Ų70.821%0.2142%0.416CS..BIsolated β-bridgetrans-69.1144.3177.660.50000110.1R119 T121R119-S132 VanDerWaalsContact CB-OG 3.22Å; R119-S132 WeakPolarHBondContact CB-OG 3.47Å; R119-S132 PolarHBondContact N-O 3.14Å; R119-S132 PolarHBondContact O-N 3.28Å; T121-S132 VanDerWaalsContact CG2-CB 3.45Å; T121-S132 VanDerWaalsContact CG2-N 3.28Å
133P85.6Confident71.4Confident96 Ų9667.9 Ų67.962%0.62340%0.401SS*.PPolyproline II helixtrans-57.7145.3-178.624.2-34.1000111.2
134L90.1Very high73.1Confident6 Ų658.5 Ų58.53%0.03136%0.36CS..SBendtrans-68.5-39.6179.2179.963.2000112F104 W107 R119 V540F104-L134 HydrophobicContact CB-CD2 4.08Å; F104-L134 HydrophobicContact CD2-CD2 3.84Å; F104-L134 HydrophobicContact CG-CD2 4.32Å; W107-L134 HydrophobicContact CB-CB 4.47Å; W107-L134 HydrophobicContact CB-CD2 3.76Å; W107-L134 HydrophobicContact CG-CD2 4.38Å; R119-L134 HydrophobicContact CG-CD1 4.17Å; R119-L134 PolarHBondContact NE-O 3.31Å; R119-L134 VanDerWaalsContact NE-O 3.09Å; L134-V540 HydrophobicContact CD1-CB 4.47Å; L134-V540 HydrophobicContact CD1-CG1 4.09Å; L134-V540 HydrophobicContact CD1-CG2 3.55Å
135L93.2Very high75.6Confident16 Ų1655.2 Ų55.28%0.08434%0.338CS..SBendtrans-111.5140.9-174.5-55.7-175.5000111.2L68 M100 W107 L143L68-L135 HydrophobicContact CD1-CD2 3.34Å; M100-L135 HydrophobicContact CE-CD1 4.2Å; M100-L135 HydrophobicContact CE-CD2 3.75Å; M100-L135 HydrophobicContact SD-CD2 4.41Å; W107-L135 HydrophobicContact CD2-CD1 4.09Å; W107-L135 HydrophobicContact CD2-CG 4.46Å; W107-L135 HydrophobicContact CE3-CD1 4.04Å; W107-L135 HydrophobicContact CE3-CG 4.12Å; W107-L135 HydrophobicContact CH2-CD1 3.61Å; W107-L135 HydrophobicContact CH2-CG 4.39Å; W107-L135 HydrophobicContact CZ2-CD1 3.68Å; W107-L135 HydrophobicContact CZ3-CB 4.22Å; W107-L135 HydrophobicContact CZ3-CD1 3.78Å; W107-L135 HydrophobicContact CZ3-CG 4.06Å; L135-L143 HydrophobicContact CD1-CD2 3.7Å
136D91.6Very high78.2Confident32 Ų3251.4 Ų51.417%0.17130%0.297CS..  trans-75.5165.7160.862.839.9000111.1T62 C65 T138 S139 L140T62-D136 WeakPolarHBondContact CB-OD2 3.46Å; T62-D136 VanDerWaalsContact CG2-OD2 3.26Å; T62-D136 WeakPolarHBondContact CG2-OD2 3.29Å; T62-D136 PolarHBondContact N-OD2 3.15Å; T62-D136 PolarHBondContact OG1-OD2 3.34Å; C65-D136 PolarHBondContact SG-N 3.31Å; C65-D136 PolarHBondContact SG-OD2 3.4Å; D136-T138 VanDerWaalsContact C-N 3.31Å; D136-T138 PolarHBondContact O-N 2.94Å; D136-T138 PolarHBondContact OD1-N 3.1Å; D136-T138 PolarHBondContact OD1-OG1 3.44Å; D136-S139 VanDerWaalsContact CG-OG 3.31Å; D136-S139 PolarHBondContact O-N 2.94Å; D136-S139 WeakPolarHBondContact OD1-CA 2.97Å; D136-S139 WeakPolarHBondContact OD1-CB 3.4Å; D136-S139 PolarHBondContact OD1-N 3.41Å; D136-S139 PolarHBondContact OD1-OG 3.39Å; D136-L140 PolarHBondContact O-N 3.09Å
137I91.1Very high81Confident101 Ų10145.7 Ų45.752%0.51826%0.262SS..Hα-helixtrans-58.9-44.1-174.9-64.5168.5000110.9S139 L140 E141I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.5Å; I137-L140 WeakPolarHBondContact O-CB 3.39Å; I137-L140 PolarHBondContact O-N 2.91Å; I137-E141 WeakPolarHBondContact O-CG 3.41Å; I137-E141 PolarHBondContact O-N 2.92Å
138T93.1Very high83.9Confident20 Ų2041 Ų4112%0.12324%0.235CC..Hα-helixtrans-62.7-38.7178.433.50000112.8W31 G60 D136 L140 E141 Y142W31-T138 HydrophobicContact CZ3-CG2 4.49Å; G60-T138 PolarHBondContact O-OG1 3.03Å; D136-T138 VanDerWaalsContact C-N 3.31Å; D136-T138 PolarHBondContact O-N 2.94Å; D136-T138 PolarHBondContact OD1-N 3.1Å; D136-T138 PolarHBondContact OD1-OG1 3.44Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-E141 PolarHBondContact O-N 3.41Å; T138-Y142 WeakPolarHBondContact O-CB 3.39Å; T138-Y142 PolarHBondContact O-N 2.9Å
139S95.2Very high86.4Confident0 Ų036.3 Ų36.30%021%0.208CC..Hα-helixtrans-68.7-34.7176.1-59.50000111.4C65 D136 I137 L143C65-S139 VanDerWaalsContact CB-OG 3.23Å; C65-S139 WeakPolarHBondContact CB-OG 3.45Å; D136-S139 VanDerWaalsContact CG-OG 3.31Å; D136-S139 PolarHBondContact O-N 2.94Å; D136-S139 WeakPolarHBondContact OD1-CA 2.97Å; D136-S139 WeakPolarHBondContact OD1-CB 3.4Å; D136-S139 PolarHBondContact OD1-N 3.41Å; D136-S139 PolarHBondContact OD1-OG 3.39Å; I137-S139 VanDerWaalsContact C-N 3.35Å; I137-S139 PolarHBondContact O-N 3.5Å; S139-L143 VanDerWaalsContact O-CB 3.24Å; S139-L143 WeakPolarHBondContact O-CB 3.28Å; S139-L143 PolarHBondContact O-N 3.03Å
140L94.8Very high88.6Confident5 Ų531.3 Ų31.33%0.02618%0.18CC..Hα-helixtrans-65.9-46.1172.1170.755.4000111.7W107 D136 I137 T138 Y142 L143 F144 M249 Y250 I253W107-L140 HydrophobicContact CH2-CD1 3.61Å; W107-L140 HydrophobicContact CH2-CD2 4.43Å; W107-L140 HydrophobicContact CH2-CG 4.42Å; W107-L140 HydrophobicContact CZ2-CD1 3.95Å; D136-L140 PolarHBondContact O-N 3.09Å; I137-L140 WeakPolarHBondContact O-CB 3.39Å; I137-L140 PolarHBondContact O-N 2.91Å; T138-L140 VanDerWaalsContact C-N 3.34Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.21Å; L140-L143 PolarHBondContact O-N 3.36Å; L140-F144 VanDerWaalsContact O-CB 3.32Å; L140-F144 WeakPolarHBondContact O-CB 3.31Å; L140-F144 PolarHBondContact O-N 3.23Å; L140-M249 HydrophobicContact CD1-CB 4.07Å; L140-M249 HydrophobicContact CD2-CE 4.07Å; L140-M249 HydrophobicContact CG-CB 4.34Å; L140-M249 HydrophobicContact CG-CE 4.08Å; L140-M249 HydrophobicContact CG-SD 4.2Å; L140-Y250 HydrophobicContact CD2-CD1 4.35Å; L140-Y250 HydrophobicContact CD2-CE1 3.76Å; L140-Y250 HydrophobicContact CD2-CE2 4.45Å; L140-I253 HydrophobicContact CD1-CD1 3.7Å
141E93.8Very high90.4Very high42 Ų4225.4 Ų25.420%0.19614%0.144CC..Hα-helixtrans-59.6-42.7176.5-70.5177.3135.800111.5W31 I137 T138 F144 A145 M249W31-E141 HydrophobicContact CD2-CB 4.32Å; W31-E141 HydrophobicContact CE3-CB 4.33Å; W31-E141 HydrophobicContact CH2-CB 4.19Å; W31-E141 WeakPolarHBondContact CH2-OE2 3.43Å; W31-E141 HydrophobicContact CZ2-CB 4.19Å; W31-E141 WeakPolarHBondContact CZ2-OE2 2.96Å; W31-E141 HydrophobicContact CZ3-CB 4.27Å; I137-E141 WeakPolarHBondContact O-CG 3.41Å; I137-E141 PolarHBondContact O-N 2.92Å; T138-E141 PolarHBondContact O-N 3.41Å; E141-F144 PolarHBondContact O-N 3.32Å; E141-A145 PolarHBondContact O-N 2.99Å; E141-M249 HydrophobicContact CG-CE 4.16Å; E141-M249 HydrophobicContact CG-SD 4.17Å
142Y95.9Very high91.8Very high0 Ų025.3 Ų25.30%014%0.138CC..Hα-helixtrans-66.2-47.3176.8-163-83000112.3F30 W31 V59 F69 Y98 T138 L140 F144 A145 Q146F30-Y142 HydrophobicContact CB-CE1 4.45Å; F30-Y142 HydrophobicContact CB-CE2 4.48Å; F30-Y142 AromaticContact CD2-CE1 3.76Å; F30-Y142 HydrophobicContact CD2-CE1 3.76Å; F30-Y142 AromaticContact CD2-CZ 3.83Å; F30-Y142 WeakPolarHBondContact CD2-OH 3.47Å; F30-Y142 PolarHBondContact N-OH 2.83Å; W31-Y142 HydrophobicContact CB-CD2 4.2Å; W31-Y142 HydrophobicContact CE3-CD2 4.47Å; W31-Y142 WeakPolarHBondContact O-CD2 3.24Å; W31-Y142 WeakPolarHBondContact O-CE2 3.06Å; V59-Y142 HydrophobicContact CB-CD2 4.41Å; V59-Y142 HydrophobicContact CG1-CD2 3.58Å; V59-Y142 HydrophobicContact CG1-CE2 4.27Å; V59-Y142 HydrophobicContact CG1-CG 4.35Å; V59-Y142 HydrophobicContact CG2-CD2 3.88Å; V59-Y142 HydrophobicContact CG2-CE2 3.69Å; F69-Y142 HydrophobicContact CD1-CD1 4.38Å; F69-Y142 HydrophobicContact CD1-CE1 4.39Å; F69-Y142 AromaticContact CE1-CD1 3.56Å; F69-Y142 HydrophobicContact CE1-CD1 3.56Å; F69-Y142 AromaticContact CE1-CE1 3.99Å; F69-Y142 HydrophobicContact CE1-CE1 3.99Å; F69-Y142 HydrophobicContact CE1-CG 4.26Å; F69-Y142 HydrophobicContact CZ-CD1 4.41Å; Y98-Y142 HydrophobicContact CD1-CE1 4.12Å; Y98-Y142 HydrophobicContact CD1-CE2 4.15Å; Y98-Y142 AromaticContact CD1-CZ 3.62Å; Y98-Y142 WeakPolarHBondContact CD1-OH 3.39Å; Y98-Y142 VanDerWaalsContact O-CE1 3.3Å; Y98-Y142 WeakPolarHBondContact O-CE1 3.46Å; Y98-Y142 PolarHBondContact O-OH 2.79Å; T138-Y142 WeakPolarHBondContact O-CB 3.39Å; T138-Y142 PolarHBondContact O-N 2.9Å; L140-Y142 VanDerWaalsContact C-N 3.3Å; L140-Y142 PolarHBondContact O-N 3.21Å; Y142-F144 VanDerWaalsContact C-N 3.29Å; Y142-F144 PolarHBondContact O-N 2.79Å; Y142-A145 WeakPolarHBondContact O-CB 3.26Å; Y142-A145 PolarHBondContact O-N 3.09Å; Y142-A145 VanDerWaalsContact O-N 3.15Å; Y142-Q146 PolarHBondContact O-N 3.18Å
143L96.2Very high92.1Very high2 Ų226.2 Ų26.21%0.0114%0.141CC..Hα-helixtrans-58.5-41.6175.4172.562.2000111.2M100 Y103 W107 L135 S139 L140 A145 Q146 A147 I253 F263M100-L143 HydrophobicContact CB-CD1 4.46Å; M100-L143 HydrophobicContact CE-CB 4.01Å; M100-L143 HydrophobicContact CE-CD2 4.4Å; M100-L143 HydrophobicContact SD-CB 4.32Å; M100-L143 HydrophobicContact SD-CD1 3.84Å; M100-L143 HydrophobicContact SD-CD2 3.99Å; M100-L143 HydrophobicContact SD-CG 4.26Å; Y103-L143 HydrophobicContact CD2-CD1 4.43Å; Y103-L143 HydrophobicContact CE2-CD1 4.21Å; Y103-L143 HydrophobicContact CE2-CD2 3.88Å; W107-L143 HydrophobicContact CZ2-CD2 4Å; L135-L143 HydrophobicContact CD1-CD2 3.7Å; S139-L143 VanDerWaalsContact O-CB 3.24Å; S139-L143 WeakPolarHBondContact O-CB 3.28Å; S139-L143 PolarHBondContact O-N 3.03Å; L140-L143 PolarHBondContact O-N 3.36Å; L143-A145 VanDerWaalsContact C-N 3.35Å; L143-A145 PolarHBondContact O-N 3.02Å; L143-Q146 PolarHBondContact O-N 3.26Å; L143-A147 WeakPolarHBondContact O-CB 3.42Å; L143-A147 PolarHBondContact O-N 3.42Å; L143-I253 HydrophobicContact CD2-CD1 3.85Å; L143-I253 HydrophobicContact CG-CD1 3.96Å; L143-F263 HydrophobicContact CD1-CZ 4.41Å
144F95.3Very high91.8Very high3 Ų326.9 Ų26.91%0.01314%0.139CC..Hα-helixtrans-62.9-41.1176.6176.2-112.3000111.7L140 E141 Y142 A147 K148 H181 M249 Y252L140-F144 VanDerWaalsContact O-CB 3.32Å; L140-F144 WeakPolarHBondContact O-CB 3.31Å; L140-F144 PolarHBondContact O-N 3.23Å; E141-F144 PolarHBondContact O-N 3.32Å; Y142-F144 VanDerWaalsContact C-N 3.29Å; Y142-F144 PolarHBondContact O-N 2.79Å; F144-A147 PolarHBondContact O-N 3.02Å; F144-K148 HydrophobicContact CD1-CD 4.27Å; F144-K148 HydrophobicContact CE1-CD 3.72Å; F144-K148 VanDerWaalsContact CE1-CE 3.47Å; F144-K148 HydrophobicContact CE2-CD 4.16Å; F144-K148 HydrophobicContact CE2-CG 4.27Å; F144-K148 HydrophobicContact CZ-CD 3.67Å; F144-K148 HydrophobicContact CZ-CG 4.27Å; F144-K148 WeakPolarHBondContact O-CE 3.43Å; F144-K148 VanDerWaalsContact O-CG 3.31Å; F144-K148 WeakPolarHBondContact O-CG 3.41Å; F144-K148 PolarHBondContact O-N 2.73Å; F144-H181 HydrophobicContact CE1-CB 4.21Å; F144-H181 AromaticContact CE1-CD2 3.49Å; F144-H181 VanDerWaalsContact CE1-CD2 3.49Å; F144-H181 WeakPolarHBondContact CE1-CD2 3.46Å; F144-H181 AromaticContact CE1-CE1 3.84Å; F144-H181 AromaticContact CE1-CG 3.61Å; F144-H181 AromaticContact CE1-ND1 3.85Å; F144-H181 AromaticContact CE1-NE2 3.6Å; F144-H181 HydrophobicContact CZ-CB 4.1Å; F144-H181 AromaticContact CZ-CG 3.97Å; F144-M249 HydrophobicContact CB-CB 4.36Å; F144-M249 HydrophobicContact CB-CG 4.01Å; F144-M249 HydrophobicContact CB-SD 3.88Å; F144-M249 HydrophobicContact CD1-CG 3.77Å; F144-M249 HydrophobicContact CD1-SD 3.93Å; F144-M249 HydrophobicContact CD2-CB 4.09Å; F144-M249 HydrophobicContact CD2-CG 3.85Å; F144-M249 HydrophobicContact CE1-CG 4.14Å; F144-M249 HydrophobicContact CE2-CG 4.21Å; F144-M249 HydrophobicContact CG-CB 4.19Å; F144-M249 HydrophobicContact CG-CG 3.6Å; F144-M249 HydrophobicContact CG-SD 3.96Å; F144-M249 HydrophobicContact CZ-CG 4.35Å; F144-Y252 AromaticContact CD2-CD1 3.96Å; F144-Y252 HydrophobicContact CD2-CD1 3.96Å; F144-Y252 HydrophobicContact CD2-CG 4.14Å; F144-Y252 AromaticContact CE2-CD1 3.74Å; F144-Y252 HydrophobicContact CE2-CD1 3.74Å; F144-Y252 AromaticContact CE2-CD2 3.98Å; F144-Y252 HydrophobicContact CE2-CD2 3.98Å; F144-Y252 HydrophobicContact CE2-CE1 4.41Å; F144-Y252 AromaticContact CE2-CG 3.51Å; F144-Y252 HydrophobicContact CE2-CG 3.51Å
145A94Very high91.3Very high12 Ų1227.4 Ų27.410%0.09914%0.143CC..Hα-helixtrans-64.4-43.8174.600000112.6F30 W31 E141 Y142 L143 K148 H149F30-A145 HydrophobicContact CB-CB 3.94Å; W31-A145 HydrophobicContact CB-CB 3.66Å; W31-A145 HydrophobicContact CG-CB 4.47Å; E141-A145 PolarHBondContact O-N 2.99Å; Y142-A145 WeakPolarHBondContact O-CB 3.26Å; Y142-A145 PolarHBondContact O-N 3.09Å; Y142-A145 VanDerWaalsContact O-N 3.15Å; L143-A145 VanDerWaalsContact C-N 3.35Å; L143-A145 PolarHBondContact O-N 3.02Å; A145-K148 PolarHBondContact O-N 3.31Å; A145-H149 PolarHBondContact O-N 3.31Å; A145-H149 VanDerWaalsContact O-N 3.12Å
146Q94.8Very high90.5Very high6 Ų634.2 Ų34.23%0.02817%0.174CC..Hα-helixtrans-61.8-47.6174.5179.8-179.1-31.600111.4F30 C99 M100 Y142 L143 K148 H149 E150F30-Q146 HydrophobicContact CD2-CB 3.93Å; F30-Q146 HydrophobicContact CD2-CG 4.18Å; F30-Q146 HydrophobicContact CE2-CB 4.25Å; F30-Q146 HydrophobicContact CE2-CG 3.97Å; F30-Q146 HydrophobicContact CG-CB 4.16Å; F30-Q146 HydrophobicContact CZ-CG 4.28Å; C99-Q146 VanDerWaalsContact CA-OE1 3.31Å; M100-Q146 PolarHBondContact O-NE2 3.1Å; M100-Q146 VanDerWaalsContact O-NE2 3.11Å; Y142-Q146 PolarHBondContact O-N 3.18Å; L143-Q146 PolarHBondContact O-N 3.26Å; Q146-K148 VanDerWaalsContact C-N 3.31Å; Q146-K148 PolarHBondContact O-N 3.41Å; Q146-H149 CarbonylContact O-C 3.37Å; Q146-H149 WeakPolarHBondContact O-CA 3.34Å; Q146-H149 WeakPolarHBondContact O-CB 3.32Å; Q146-H149 PolarHBondContact O-N 3.18Å; Q146-E150 HydrophobicContact CG-CG 4.38Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.46Å; Q146-E150 PolarHBondContact NE2-OE1 2.86Å; Q146-E150 PolarHBondContact O-N 2.91Å
147A93.8Very high89.5Confident0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-60.3-39.2179.900000112.2L143 F144 F151 Y252 L256 F263L143-A147 WeakPolarHBondContact O-CB 3.42Å; L143-A147 PolarHBondContact O-N 3.42Å; F144-A147 PolarHBondContact O-N 3.02Å; A147-F151 WeakPolarHBondContact O-CB 3.43Å; A147-F151 PolarHBondContact O-N 3.2Å; A147-Y252 HydrophobicContact CB-CE1 4.39Å; A147-L256 HydrophobicContact CB-CD2 3.77Å; A147-F263 HydrophobicContact CB-CE2 4.38Å; A147-F263 HydrophobicContact CB-CZ 4.17Å
148K92.6Very high88.7Confident35 Ų3531.8 Ų31.815%0.15216%0.163CC..Hα-helixtrans-62.7-44.2171.9-73.3-178.2-62.8176.60112F144 A145 Q146 V152 H178 Y252F144-K148 HydrophobicContact CD1-CD 4.27Å; F144-K148 HydrophobicContact CE1-CD 3.72Å; F144-K148 VanDerWaalsContact CE1-CE 3.47Å; F144-K148 HydrophobicContact CE2-CD 4.16Å; F144-K148 HydrophobicContact CE2-CG 4.27Å; F144-K148 HydrophobicContact CZ-CD 3.67Å; F144-K148 HydrophobicContact CZ-CG 4.27Å; F144-K148 WeakPolarHBondContact O-CE 3.43Å; F144-K148 VanDerWaalsContact O-CG 3.31Å; F144-K148 WeakPolarHBondContact O-CG 3.41Å; F144-K148 PolarHBondContact O-N 2.73Å; A145-K148 PolarHBondContact O-N 3.31Å; Q146-K148 VanDerWaalsContact C-N 3.31Å; Q146-K148 PolarHBondContact O-N 3.41Å; K148-V152 WeakPolarHBondContact O-CG2 3.2Å; K148-V152 PolarHBondContact O-N 2.91Å; K148-V152 VanDerWaalsContact O-N 3.07Å; K148-H178 VanDerWaalsContact CD-CD2 3.45Å; K148-H178 WeakPolarHBondContact CD-CD2 3.44Å; K148-H178 WeakPolarHBondContact CD-NE2 3.49Å; K148-Y252 HydrophobicContact CG-CE1 3.88Å; K148-Y252 HydrophobicContact CG-CE2 4.3Å
149H90.8Very high87.3Confident55 Ų5541.1 Ų41.126%0.25520%0.201SC..Hα-helixtrans-63.9-45.1178.2-179.7-79.2000111.8F30 A145 Q146 N153F30-H149 HydrophobicContact CD1-CB 3.79Å; F30-H149 AromaticContact CD1-CG 3.88Å; F30-H149 HydrophobicContact CE1-CB 3.76Å; F30-H149 AromaticContact CE1-CD2 3.84Å; F30-H149 AromaticContact CE1-CG 3.46Å; F30-H149 VanDerWaalsContact CE1-CG 3.46Å; F30-H149 AromaticContact CE1-ND1 3.59Å; A145-H149 PolarHBondContact O-N 3.31Å; A145-H149 VanDerWaalsContact O-N 3.12Å; Q146-H149 CarbonylContact O-C 3.37Å; Q146-H149 WeakPolarHBondContact O-CA 3.34Å; Q146-H149 WeakPolarHBondContact O-CB 3.32Å; Q146-H149 PolarHBondContact O-N 3.18Å; H149-N153 PolarHBondContact CD2-ND2 3.2Å; H149-N153 VanDerWaalsContact CD2-ND2 3.27Å; H149-N153 PolarHBondContact CE1-ND2 2.97Å; H149-N153 VanDerWaalsContact CE1-ND2 3.32Å; H149-N153 PolarHBondContact ND1-ND2 2.89Å; H149-N153 PolarHBondContact NE2-ND2 2.96Å; H149-N153 WeakPolarHBondContact O-CB 3.45Å; H149-N153 PolarHBondContact O-N 3.16Å; H149-N153 PolarHBondContact O-ND2 3.46Å
150E89.1Confident86.3Confident48 Ų4843.6 Ų43.622%0.22422%0.219CC..Hα-helixtrans-64.9-43.5177-71.6179.1-166.200111.7Q146 V152 N153 N154 F263Q146-E150 HydrophobicContact CG-CG 4.38Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.46Å; Q146-E150 PolarHBondContact NE2-OE1 2.86Å; Q146-E150 PolarHBondContact O-N 2.91Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 3.07Å; E150-N153 PolarHBondContact O-N 2.82Å; E150-N154 WeakPolarHBondContact O-CA 3.35Å; E150-N154 WeakPolarHBondContact O-CB 3.41Å; E150-N154 PolarHBondContact O-N 2.92Å; E150-F263 WeakPolarHBondContact OE2-CE2 3.44Å
151F90.2Very high85.1Confident0 Ų049.8 Ų49.80%025%0.252CS..Hα-helixtrans-58.4-44.4177.3178.9-116.8000112.5A147 V155 M174 C202 P204 Y252 L256 L259A147-F151 WeakPolarHBondContact O-CB 3.43Å; A147-F151 PolarHBondContact O-N 3.2Å; F151-V155 HydrophobicContact CD2-CG2 4.16Å; F151-M174 HydrophobicContact CE1-CB 3.87Å; F151-M174 HydrophobicContact CZ-CB 4.04Å; F151-M174 HydrophobicContact CZ-CG 4.31Å; F151-C202 WeakPolarHBondContact CE1-O 3.49Å; F151-P204 HydrophobicContact CD2-CG 4.22Å; F151-P204 HydrophobicContact CE1-CG 4.28Å; F151-P204 HydrophobicContact CE2-CG 3.68Å; F151-P204 HydrophobicContact CZ-CG 3.74Å; F151-Y252 WeakPolarHBondContact CD1-OH 3.37Å; F151-L256 HydrophobicContact CB-CD1 4.1Å; F151-L256 HydrophobicContact CD2-CD1 3.62Å; F151-L256 HydrophobicContact CE2-CD1 4.46Å; F151-L256 HydrophobicContact CG-CD1 4.18Å; F151-L259 HydrophobicContact CE2-CD2 3.63Å; F151-L259 HydrophobicContact CZ-CD2 4.26Å
152V88.4Confident84Confident23 Ų2355.8 Ų55.814%0.13928%0.28CS..Hα-helixtrans-72.6-41-179.4172.50000111.7K148 E150 R205K148-V152 WeakPolarHBondContact O-CG2 3.2Å; K148-V152 PolarHBondContact O-N 2.91Å; K148-V152 VanDerWaalsContact O-N 3.07Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 3.07Å; V152-R205 HydrophobicContact CG1-CG 4.29Å; V152-R205 WeakPolarHBondContact O-CG 3.49Å; V152-R205 PolarHBondContact O-N 2.86Å
153N83.9Confident83Confident48 Ų4861.4 Ų61.426%0.25731%0.306SS..Hα-helixtrans-100.6-26.6-167.1-60.6-59.2000115.3H149 E150 R205H149-N153 PolarHBondContact CD2-ND2 3.2Å; H149-N153 VanDerWaalsContact CD2-ND2 3.27Å; H149-N153 PolarHBondContact CE1-ND2 2.97Å; H149-N153 VanDerWaalsContact CE1-ND2 3.32Å; H149-N153 PolarHBondContact ND1-ND2 2.89Å; H149-N153 PolarHBondContact NE2-ND2 2.96Å; H149-N153 WeakPolarHBondContact O-CB 3.45Å; H149-N153 PolarHBondContact O-N 3.16Å; H149-N153 PolarHBondContact O-ND2 3.46Å; E150-N153 PolarHBondContact O-N 2.82Å; N153-R205 PolarHBondContact OD1-NE 3.44Å; N153-R205 PolarHBondContact OD1-NH2 3.36Å
154N79.6Confident82.1Confident110 Ų11061.8 Ų61.859%0.58831%0.309SS*.Hα-helixtrans-116.6-8.5-167.2-61.3-10.4000114E150E150-N154 WeakPolarHBondContact O-CA 3.35Å; E150-N154 WeakPolarHBondContact O-CB 3.41Å; E150-N154 PolarHBondContact O-N 2.92Å
155V80.8Confident81.4Confident18 Ų1866.3 Ų66.311%0.10933%0.333CS..PPolyproline II helixtrans-91.9128.2-177.3-178.30000110.8F151 F167 P204 T206 V260F151-V155 HydrophobicContact CD2-CG2 4.16Å; V155-F167 HydrophobicContact CG1-CE2 3.76Å; V155-F167 HydrophobicContact CG1-CZ 3.65Å; V155-P204 HydrophobicContact CB-CB 4.49Å; V155-P204 HydrophobicContact CB-CG 4.38Å; V155-P204 HydrophobicContact CG1-CG 4.48Å; V155-T206 PolarHBondContact O-OG1 3.01Å; V155-V260 HydrophobicContact CG1-CG2 3.8Å; V155-V260 HydrophobicContact CG2-CG2 3.83Å
156E75.2Confident80.8Confident159 Ų15974 Ų7474%0.74336%0.36SS*.PPolyproline II helixtrans-101.3153.6174.8-64.6-173.2173.900111.6
157E71.4Confident80.4Confident41 Ų4174.1 Ų74.119%0.19236%0.36CS..PPolyproline II helixtrans-76.1135.5179.5-164.6178.8155.400110.8S164 F167 K168 N210E157-S164 PolarHBondContact OE1-OG 3.38Å; E157-F167 HydrophobicContact CG-CD1 4.13Å; E157-F167 HydrophobicContact CG-CE1 4.35Å; E157-K168 WeakPolarHBondContact OE1-CE 3.41Å; E157-K168 IonicContact OE1-NZ 3.71Å; E157-K168 PolarHBondContact OE1-NZ 2.84Å; E157-N210 PolarHBondContact OE2-ND2 2.95Å
158P73.2Confident79.9Confident40 Ų4076.5 Ų76.526%0.2637%0.371SS..PPolyproline II helixtrans-64.8149178.124.9-32.8000112.1S160 E163 F167P158-S160 PolarHBondContact O-N 3.18Å; P158-E163 HydrophobicContact CB-CB 4.19Å; P158-E163 HydrophobicContact CG-CB 4.12Å; P158-F167 HydrophobicContact CG-CB 3.97Å; P158-F167 HydrophobicContact CG-CD2 4.44Å; P158-F167 HydrophobicContact CG-CG 4.19Å
159K64.6Low79.6Confident216 Ų21679.3 Ų79.394%0.93939%0.388SS*.SBendtrans-77.7-15.6-174.8-64.7-176.2-179.1178.90114.6
160S73.6Confident79.4Confident52 Ų5280.3 Ų80.336%0.36439%0.392SS..SBendtrans-86.9135.5179.6173.40000111.2P158 E162 E163 S164P158-S160 PolarHBondContact O-N 3.18Å; S160-E162 PolarHBondContact O-N 2.94Å; S160-E163 PolarHBondContact O-N 3.01Å; S160-S164 VanDerWaalsContact O-CB 3.23Å; S160-S164 WeakPolarHBondContact O-CB 3.41Å; S160-S164 PolarHBondContact O-N 3.28Å
161D69.1Low79.5Confident135 Ų13578 Ų7872%0.72238%0.382SS*.Hα-helixtrans-63.9-37.1-176.3-72-25.8000113.3N165D161-N165 PolarHBondContact O-N 3.25Å; D161-N165 PolarHBondContact O-ND2 2.91Å; D161-N165 VanDerWaalsContact O-ND2 3.08Å
162E71.2Confident79.4Confident168 Ų16878.3 Ų78.379%0.78538%0.383SS*.Hα-helixtrans-72.2-41.8178.3-68.6-176.2172.800111.7S160 R166S160-E162 PolarHBondContact O-N 2.94Å; E162-R166 PolarHBondContact O-N 3.48Å
163E74.9Confident79.5Confident119 Ų11978.2 Ų78.256%0.55639%0.387SS*.Hα-helixtrans-69.9-35.3177.5-63.2-178.5156.800111.6P158 S160 R166 F167P158-E163 HydrophobicContact CB-CB 4.19Å; P158-E163 HydrophobicContact CG-CB 4.12Å; S160-E163 PolarHBondContact O-N 3.01Å; E163-R166 PolarHBondContact O-N 3.48Å; E163-F167 WeakPolarHBondContact O-CB 3.49Å; E163-F167 PolarHBondContact O-N 3.25Å
164S77.4Confident79.8Confident10 Ų1076 Ų767%0.0738%0.375CS..Hα-helixtrans-60.2-46.6174.7166.50000111.8E157 S160 R166 F167 K168E157-S164 PolarHBondContact OE1-OG 3.38Å; S160-S164 VanDerWaalsContact O-CB 3.23Å; S160-S164 WeakPolarHBondContact O-CB 3.41Å; S160-S164 PolarHBondContact O-N 3.28Å; S164-R166 PolarHBondContact O-N 2.93Å; S164-F167 WeakPolarHBondContact O-CB 3.43Å; S164-F167 PolarHBondContact O-N 3.36Å; S164-K168 VanDerWaalsContact O-CG 3.27Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.43Å; S164-K168 PolarHBondContact OG-NZ 3.35Å
165N79.9Confident80.4Confident97 Ų9770.8 Ų70.852%0.51935%0.347SS..Hα-helixtrans-64.9-41.5180-76.4-45.9000112.5D161 K168 N169D161-N165 PolarHBondContact O-N 3.25Å; D161-N165 PolarHBondContact O-ND2 2.91Å; D161-N165 VanDerWaalsContact O-ND2 3.08Å; N165-K168 PolarHBondContact O-N 3.43Å; N165-N169 PolarHBondContact O-N 3Å
166R82.3Confident80.8Confident173 Ų17370.1 Ų70.165%0.65334%0.343SS*.Hα-helixtrans-62.9-45.6173.8-174.7-179.6175.6-146-3.7111E162 E163 S164 K168 N169 E170E162-R166 PolarHBondContact O-N 3.48Å; E163-R166 PolarHBondContact O-N 3.48Å; S164-R166 PolarHBondContact O-N 2.93Å; R166-K168 VanDerWaalsContact C-N 3.33Å; R166-K168 PolarHBondContact O-N 2.99Å; R166-N169 PolarHBondContact O-N 3.32Å; R166-E170 HydrophobicContact CG-CG 4.42Å; R166-E170 WeakPolarHBondContact O-CG 3.48Å; R166-E170 PolarHBondContact O-N 3.19Å
167F85.8Confident81.5Confident10 Ų1063.3 Ų63.34%0.04431%0.311CS..Hα-helixtrans-58-43.1178.4176.8-89.8000112.4V155 E157 P158 E163 S164 S171 P204 L259V155-F167 HydrophobicContact CG1-CE2 3.76Å; V155-F167 HydrophobicContact CG1-CZ 3.65Å; E157-F167 HydrophobicContact CG-CD1 4.13Å; E157-F167 HydrophobicContact CG-CE1 4.35Å; P158-F167 HydrophobicContact CG-CB 3.97Å; P158-F167 HydrophobicContact CG-CD2 4.44Å; P158-F167 HydrophobicContact CG-CG 4.19Å; E163-F167 WeakPolarHBondContact O-CB 3.49Å; E163-F167 PolarHBondContact O-N 3.25Å; S164-F167 WeakPolarHBondContact O-CB 3.43Å; S164-F167 PolarHBondContact O-N 3.36Å; F167-S171 VanDerWaalsContact O-CB 3.26Å; F167-S171 WeakPolarHBondContact O-CB 3.48Å; F167-S171 PolarHBondContact O-N 3.18Å; F167-S171 PolarHBondContact O-OG 3.11Å; F167-P204 HydrophobicContact CE1-CG 4.22Å; F167-P204 HydrophobicContact CZ-CG 3.89Å; F167-L259 HydrophobicContact CB-CD1 4.31Å; F167-L259 HydrophobicContact CD2-CD1 3.41Å; F167-L259 VanDerWaalsContact CD2-CD1 3.41Å; F167-L259 HydrophobicContact CD2-CD2 4.07Å; F167-L259 HydrophobicContact CD2-CG 3.68Å; F167-L259 HydrophobicContact CE2-CD1 4.05Å; F167-L259 HydrophobicContact CE2-CD2 3.87Å; F167-L259 HydrophobicContact CE2-CG 3.78Å; F167-L259 HydrophobicContact CG-CD1 4.16Å
168K84.4Confident82.5Confident50 Ų5062.9 Ų62.922%0.21731%0.31CS..Hα-helixtrans-62.7-44.9177.7-72.9174.7172.6140.50112.5E157 S164 N165 R166 S171 L172 F207E157-K168 WeakPolarHBondContact OE1-CE 3.41Å; E157-K168 IonicContact OE1-NZ 3.71Å; E157-K168 PolarHBondContact OE1-NZ 2.84Å; S164-K168 VanDerWaalsContact O-CG 3.27Å; S164-K168 WeakPolarHBondContact O-CG 3.4Å; S164-K168 PolarHBondContact O-N 3.43Å; S164-K168 PolarHBondContact OG-NZ 3.35Å; N165-K168 PolarHBondContact O-N 3.43Å; R166-K168 VanDerWaalsContact C-N 3.33Å; R166-K168 PolarHBondContact O-N 2.99Å; K168-S171 PolarHBondContact O-N 3.46Å; K168-L172 WeakPolarHBondContact O-CG 3.33Å; K168-L172 PolarHBondContact O-N 3.33Å; K168-L172 VanDerWaalsContact O-N 3.08Å; K168-F207 HydrophobicContact CB-CE1 4.11Å; K168-F207 HydrophobicContact CB-CE2 4.16Å; K168-F207 HydrophobicContact CB-CZ 3.69Å; K168-F207 HydrophobicContact CD-CD2 4.35Å; K168-F207 HydrophobicContact CD-CE2 3.71Å; K168-F207 HydrophobicContact CD-CZ 4.11Å; K168-F207 HydrophobicContact CG-CD2 4Å; K168-F207 HydrophobicContact CG-CE1 4.1Å; K168-F207 HydrophobicContact CG-CE2 3.5Å; K168-F207 HydrophobicContact CG-CZ 3.56Å
169N85.2Confident83.3Confident94 Ų9461 Ų6150%0.50330%0.297SS..Hα-helixtrans-66.4-45.7179-75.2-22.6000112.2N165 R166 S171 L172 G173N165-N169 PolarHBondContact O-N 3Å; R166-N169 PolarHBondContact O-N 3.32Å; N169-S171 VanDerWaalsContact C-N 3.29Å; N169-S171 PolarHBondContact O-N 2.92Å; N169-L172 PolarHBondContact O-N 2.94Å; N169-G173 PolarHBondContact O-N 3.07Å; N169-G173 VanDerWaalsContact O-N 3.07Å
170E88.2Confident84.4Confident76 Ų7650.9 Ų50.936%0.35525%0.253SS..Hα-helixtrans-62-38.4175.4-67.8-70.217400111.1R166 L172 G173 M174 L259R166-E170 HydrophobicContact CG-CG 4.42Å; R166-E170 WeakPolarHBondContact O-CG 3.48Å; R166-E170 PolarHBondContact O-N 3.19Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 3.4Å; E170-G173 CarbonylContact O-C 3.6Å; E170-G173 WeakPolarHBondContact O-CA 3.23Å; E170-G173 PolarHBondContact O-N 2.9Å; E170-G173 VanDerWaalsContact O-N 3.11Å; E170-M174 VanDerWaalsContact O-CG 3.31Å; E170-M174 WeakPolarHBondContact O-CG 3.22Å; E170-M174 PolarHBondContact O-N 3.32Å; E170-L259 HydrophobicContact CB-CD1 3.94Å; E170-L259 HydrophobicContact CG-CD1 4.49Å
171S90Very high85.2Confident0 Ų048.7 Ų48.70%024%0.237CC..Hα-helixtrans-62.4-37.5175.6-64.40000113F167 K168 N169 M174 A175F167-S171 VanDerWaalsContact O-CB 3.26Å; F167-S171 WeakPolarHBondContact O-CB 3.48Å; F167-S171 PolarHBondContact O-N 3.18Å; F167-S171 PolarHBondContact O-OG 3.11Å; K168-S171 PolarHBondContact O-N 3.46Å; N169-S171 VanDerWaalsContact C-N 3.29Å; N169-S171 PolarHBondContact O-N 2.92Å; S171-M174 WeakPolarHBondContact O-CB 3.34Å; S171-M174 PolarHBondContact O-N 3.33Å; S171-A175 PolarHBondContact O-N 2.73Å
172L88.8Confident86Confident6 Ų643.7 Ų43.73%0.03121%0.211CC..Hα-helixtrans-66.9-39.1172.7-67.5173.7000111.3K168 N169 E170 A175 V176 F199 I222 V225 F226K168-L172 WeakPolarHBondContact O-CG 3.33Å; K168-L172 PolarHBondContact O-N 3.33Å; K168-L172 VanDerWaalsContact O-N 3.08Å; N169-L172 PolarHBondContact O-N 2.94Å; E170-L172 VanDerWaalsContact C-N 3.33Å; E170-L172 PolarHBondContact O-N 3.4Å; L172-A175 WeakPolarHBondContact O-CB 3.48Å; L172-A175 PolarHBondContact O-N 3.42Å; L172-V176 WeakPolarHBondContact O-CG2 3.33Å; L172-V176 PolarHBondContact O-N 3.1Å; L172-F199 HydrophobicContact CD2-CD2 3.71Å; L172-F199 HydrophobicContact CD2-CE2 3.86Å; L172-I222 HydrophobicContact CD1-CG2 4.36Å; L172-I222 HydrophobicContact CD2-CG2 4.36Å; L172-V225 HydrophobicContact CD1-CG1 4.39Å; L172-F226 HydrophobicContact CD2-CD2 4.21Å
173G89.4Confident86.8Confident21 Ų2136 Ų3622%0.21618%0.175CC..Hα-helixtrans-60.1-4317200000112.7N169 E170 A175 V176 L177N169-G173 PolarHBondContact O-N 3.07Å; N169-G173 VanDerWaalsContact O-N 3.07Å; E170-G173 CarbonylContact O-C 3.6Å; E170-G173 WeakPolarHBondContact O-CA 3.23Å; E170-G173 PolarHBondContact O-N 2.9Å; E170-G173 VanDerWaalsContact O-N 3.11Å; G173-A175 VanDerWaalsContact C-N 3.32Å; G173-A175 PolarHBondContact O-N 2.97Å; G173-V176 WeakPolarHBondContact O-CB 3.33Å; G173-V176 PolarHBondContact O-N 2.87Å; G173-V176 VanDerWaalsContact O-N 3.16Å; G173-L177 PolarHBondContact O-N 3.26Å
174M91.5Very high87.3Confident1 Ų134.2 Ų34.21%0.00517%0.168CC..Hα-helixtrans-60.3-40.4173.9-69.2-70.1-83.200112F151 E170 S171 V176 L177 H178 Y252 T255 L256F151-M174 HydrophobicContact CE1-CB 3.87Å; F151-M174 HydrophobicContact CZ-CB 4.04Å; F151-M174 HydrophobicContact CZ-CG 4.31Å; E170-M174 VanDerWaalsContact O-CG 3.31Å; E170-M174 WeakPolarHBondContact O-CG 3.22Å; E170-M174 PolarHBondContact O-N 3.32Å; S171-M174 WeakPolarHBondContact O-CB 3.34Å; S171-M174 PolarHBondContact O-N 3.33Å; M174-V176 PolarHBondContact O-N 3.24Å; M174-L177 PolarHBondContact O-N 2.8Å; M174-L177 HydrophobicContact SD-CD1 4.35Å; M174-H178 PolarHBondContact O-N 3.27Å; M174-Y252 HydrophobicContact CB-CE2 4.03Å; M174-Y252 HydrophobicContact CE-CD1 3.61Å; M174-Y252 HydrophobicContact CE-CD2 3.68Å; M174-Y252 HydrophobicContact CE-CE1 3.42Å; M174-Y252 VanDerWaalsContact CE-CE1 3.42Å; M174-Y252 HydrophobicContact CE-CE2 3.51Å; M174-Y252 HydrophobicContact CE-CG 3.72Å; M174-Y252 VanDerWaalsContact CE-O 3.29Å; M174-Y252 WeakPolarHBondContact CE-O 3.44Å; M174-Y252 WeakPolarHBondContact O-CE2 3.36Å; M174-Y252 HydrophobicContact SD-CD2 3.79Å; M174-Y252 HydrophobicContact SD-CE2 4Å; M174-Y252 HydrophobicContact SD-CG 4.07Å; M174-T255 HydrophobicContact CG-CG2 3.96Å; M174-T255 VanDerWaalsContact SD-CB 3.55Å; M174-T255 HydrophobicContact SD-CG2 3.51Å; M174-T255 VanDerWaalsContact SD-CG2 3.51Å; M174-L256 HydrophobicContact CE-CB 3.76Å; M174-L256 HydrophobicContact CE-CD1 4.33Å
175A90.9Very high87.6Confident0 Ų038.9 Ų38.90%019%0.189CC..Hα-helixtrans-63.2-38.9174.300000112.5S171 L172 G173 H178 L179 F199 C202 I203 F226S171-A175 PolarHBondContact O-N 2.73Å; L172-A175 WeakPolarHBondContact O-CB 3.48Å; L172-A175 PolarHBondContact O-N 3.42Å; G173-A175 VanDerWaalsContact C-N 3.32Å; G173-A175 PolarHBondContact O-N 2.97Å; A175-H178 PolarHBondContact O-N 2.92Å; A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.28Å; A175-L179 WeakPolarHBondContact O-CG 3.38Å; A175-L179 PolarHBondContact O-N 2.89Å; A175-F199 HydrophobicContact CB-CB 4.34Å; A175-C202 HydrophobicContact CB-CB 3.72Å; A175-I203 HydrophobicContact CB-CG2 3.91Å; A175-F226 HydrophobicContact CB-CE2 4.15Å
176V90.5Very high87.7Confident4 Ų440.4 Ų40.42%0.02419%0.191CC..Hα-helixtrans-63.1-44.7174.2175.20000111L172 G173 M174 L179 S180 L190 F226 F229 V230 F233L172-V176 WeakPolarHBondContact O-CG2 3.33Å; L172-V176 PolarHBondContact O-N 3.1Å; G173-V176 WeakPolarHBondContact O-CB 3.33Å; G173-V176 PolarHBondContact O-N 2.87Å; G173-V176 VanDerWaalsContact O-N 3.16Å; M174-V176 PolarHBondContact O-N 3.24Å; V176-L179 PolarHBondContact O-N 2.99Å; V176-S180 VanDerWaalsContact O-CB 3.28Å; V176-S180 WeakPolarHBondContact O-CB 3.5Å; V176-S180 PolarHBondContact O-N 3.07Å; V176-S180 PolarHBondContact O-OG 3.44Å; V176-L190 HydrophobicContact CG1-CD2 4.37Å; V176-F226 HydrophobicContact CG2-CD2 4.23Å; V176-F226 HydrophobicContact CG2-CE2 3.66Å; V176-F226 HydrophobicContact CG2-CZ 4.36Å; V176-F229 HydrophobicContact CG2-CB 4.23Å; V176-V230 HydrophobicContact CG2-CG2 4.05Å; V176-F233 HydrophobicContact CG1-CB 4.03Å; V176-F233 HydrophobicContact CG1-CD1 3.89Å; V176-F233 HydrophobicContact CG1-CD2 4.46Å; V176-F233 HydrophobicContact CG1-CE1 4.5Å; V176-F233 HydrophobicContact CG1-CG 3.87Å
177L90.3Very high87.7Confident16 Ų1635.4 Ų35.48%0.08419%0.194CC..Hα-helixtrans-61.1-44.7176.4-69174.4000111.7G173 M174 S180 H181 F233 I248 K251 Y252G173-L177 PolarHBondContact O-N 3.26Å; M174-L177 PolarHBondContact O-N 2.8Å; M174-L177 HydrophobicContact SD-CD1 4.35Å; L177-S180 PolarHBondContact O-N 2.97Å; L177-H181 PolarHBondContact O-N 2.97Å; L177-F233 HydrophobicContact CD2-CZ 4.21Å; L177-I248 HydrophobicContact CB-CG2 4.14Å; L177-I248 HydrophobicContact CD2-CG2 4.25Å; L177-I248 WeakPolarHBondContact O-CG2 3.32Å; L177-K251 HydrophobicContact CD1-CB 4.45Å; L177-K251 HydrophobicContact CD1-CG 3.97Å; L177-K251 HydrophobicContact CD2-CG 4.4Å; L177-Y252 HydrophobicContact CB-CD2 3.97Å
178H90.9Very high87.7Confident33 Ų3338.8 Ų38.815%0.15321%0.211CC..Hα-helixtrans-60.3-49.8176.5-177.1-178000111.5K148 M174 A175 S180 H181 L182 C202 Y252K148-H178 VanDerWaalsContact CD-CD2 3.45Å; K148-H178 WeakPolarHBondContact CD-CD2 3.44Å; K148-H178 WeakPolarHBondContact CD-NE2 3.49Å; M174-H178 PolarHBondContact O-N 3.27Å; A175-H178 PolarHBondContact O-N 2.92Å; H178-S180 VanDerWaalsContact C-N 3.31Å; H178-S180 PolarHBondContact O-N 3.02Å; H178-H181 PolarHBondContact O-N 3.2Å; H178-L182 PolarHBondContact O-N 2.85Å; H178-C202 HydrophobicContact CB-CB 4.46Å; H178-C202 PolarHBondContact ND1-SG 2.9Å; H178-Y252 HydrophobicContact CB-CE2 4.22Å
179L90.4Very high87.7Confident0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-66.7-33.7-179.4-68.2166.3000112.2A175 V176 L182 A183 L190 V193 A194 T197 F226A175-L179 WeakPolarHBondContact O-CB 3.49Å; A175-L179 VanDerWaalsContact O-CG 3.28Å; A175-L179 WeakPolarHBondContact O-CG 3.38Å; A175-L179 PolarHBondContact O-N 2.89Å; V176-L179 PolarHBondContact O-N 2.99Å; L179-L182 PolarHBondContact O-N 2.81Å; L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 3.33Å; L179-L190 VanDerWaalsContact C-CD1 3.49Å; L179-L190 HydrophobicContact CB-CD1 3.67Å; L179-V193 HydrophobicContact CD2-CG1 4.08Å; L179-A194 HydrophobicContact CD1-CB 4.18Å; L179-T197 HydrophobicContact CD2-CG2 4.05Å; L179-F226 HydrophobicContact CD1-CE1 4.43Å; L179-F226 HydrophobicContact CD1-CE2 4.35Å; L179-F226 HydrophobicContact CD1-CZ 3.56Å
180S88.2Confident87.7Confident3 Ų335 Ų352%0.02119%0.194CC..Hα-helixtrans-63.9-45174.5-58.90000111.4V176 L177 H178 L182 A183 M184 F233V176-S180 VanDerWaalsContact O-CB 3.28Å; V176-S180 WeakPolarHBondContact O-CB 3.5Å; V176-S180 PolarHBondContact O-N 3.07Å; V176-S180 PolarHBondContact O-OG 3.44Å; L177-S180 PolarHBondContact O-N 2.97Å; H178-S180 VanDerWaalsContact C-N 3.31Å; H178-S180 PolarHBondContact O-N 3.02Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.04Å; S180-A183 WeakPolarHBondContact O-CB 3.42Å; S180-A183 PolarHBondContact O-N 3.38Å; S180-M184 WeakPolarHBondContact O-CG 3.48Å; S180-M184 PolarHBondContact O-N 3.26Å; S180-F233 WeakPolarHBondContact OG-CE1 3.42Å
181H89.4Confident87.5Confident6 Ų635.6 Ų35.63%0.02820%0.196CC..Hα-helixtrans-60.7-42.6174.1-17792.4000112F144 L177 H178 A183 M184 Q185 I248F144-H181 HydrophobicContact CE1-CB 4.21Å; F144-H181 AromaticContact CE1-CD2 3.49Å; F144-H181 VanDerWaalsContact CE1-CD2 3.49Å; F144-H181 WeakPolarHBondContact CE1-CD2 3.46Å; F144-H181 AromaticContact CE1-CE1 3.84Å; F144-H181 AromaticContact CE1-CG 3.61Å; F144-H181 AromaticContact CE1-ND1 3.85Å; F144-H181 AromaticContact CE1-NE2 3.6Å; F144-H181 HydrophobicContact CZ-CB 4.1Å; F144-H181 AromaticContact CZ-CG 3.97Å; L177-H181 PolarHBondContact O-N 2.97Å; H178-H181 PolarHBondContact O-N 3.2Å; H181-A183 VanDerWaalsContact C-N 3.33Å; H181-A183 PolarHBondContact O-N 3.35Å; H181-M184 PolarHBondContact O-N 2.9Å; H181-Q185 VanDerWaalsContact NE2-CD 3.34Å; H181-Q185 PolarHBondContact NE2-NE2 3.45Å; H181-Q185 WeakPolarHBondContact O-CG 3.38Å; H181-Q185 PolarHBondContact O-N 2.98Å; H181-I248 HydrophobicContact CB-CG2 4.02Å
182L87.4Confident87.1Confident31 Ų3139.9 Ų39.916%0.16222%0.219CC..Hα-helixtrans-64.7-37.4177.4-174.563.4000112.4H178 L179 S180 K186 V193 T197H178-L182 PolarHBondContact O-N 2.85Å; L179-L182 PolarHBondContact O-N 2.81Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.04Å; L182-K186 HydrophobicContact CD1-CD 4.19Å; L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.31Å; L182-K186 WeakPolarHBondContact O-CB 3.48Å; L182-K186 WeakPolarHBondContact O-CG 3.34Å; L182-K186 PolarHBondContact O-N 3.07Å; L182-K186 VanDerWaalsContact O-N 3.1Å; L182-V193 HydrophobicContact CB-CG1 4.19Å; L182-V193 HydrophobicContact CD2-CG1 3.69Å; L182-V193 HydrophobicContact CG-CG1 3.98Å; L182-T197 HydrophobicContact CD2-CG2 4.39Å
183A86.8Confident87Confident5 Ų539.8 Ų39.84%0.04122%0.219CC..Hα-helixtrans-63.7-44.7175.300000111.5L179 S180 H181 K186 G187 L188 V193L179-A183 WeakPolarHBondContact O-CB 3.41Å; L179-A183 PolarHBondContact O-N 3.33Å; S180-A183 WeakPolarHBondContact O-CB 3.42Å; S180-A183 PolarHBondContact O-N 3.38Å; H181-A183 VanDerWaalsContact C-N 3.33Å; H181-A183 PolarHBondContact O-N 3.35Å; A183-K186 PolarHBondContact O-N 3.45Å; A183-G187 PolarHBondContact O-N 3.38Å; A183-L188 WeakPolarHBondContact CB-O 3.37Å; A183-L188 PolarHBondContact O-N 2.87Å; A183-V193 HydrophobicContact CB-CB 4.32Å; A183-V193 HydrophobicContact CB-CG2 3.94Å
184M85.1Confident86.8Confident83 Ų8339.4 Ų39.441%0.40921%0.214SC..Hα-helixtrans-64.1-42.6175.9-66.4178.586.600112.5S180 H181 K186 G187 L243 I248S180-M184 WeakPolarHBondContact O-CG 3.48Å; S180-M184 PolarHBondContact O-N 3.26Å; H181-M184 PolarHBondContact O-N 2.9Å; M184-K186 VanDerWaalsContact C-N 3.31Å; M184-K186 PolarHBondContact O-N 2.88Å; M184-G187 PolarHBondContact O-N 3.43Å; M184-L243 WeakPolarHBondContact CE-O 3.23Å; M184-I248 HydrophobicContact SD-CD1 3.43Å; M184-I248 WeakPolarHBondContact SD-CD1 3.5Å
185Q83.2Confident86.2Confident108 Ų10842.7 Ų42.751%0.50525%0.248SC..Hα-helixtrans-63.6-35.4176.9-76.7-172.5-26.600113.1H181H181-Q185 VanDerWaalsContact NE2-CD 3.34Å; H181-Q185 PolarHBondContact NE2-NE2 3.45Å; H181-Q185 WeakPolarHBondContact O-CG 3.38Å; H181-Q185 PolarHBondContact O-N 2.98Å
186K84Confident85.8Confident128 Ų12850.6 Ų50.656%0.55728%0.282SS*.Hα-helixtrans-90.8-6.4-179.4-68.3-177175.3178.30113.9L182 A183 M184 L188L182-K186 HydrophobicContact CD1-CD 4.19Å; L182-K186 HydrophobicContact CD1-CG 4.49Å; L182-K186 HydrophobicContact CG-CD 4.31Å; L182-K186 WeakPolarHBondContact O-CB 3.48Å; L182-K186 WeakPolarHBondContact O-CG 3.34Å; L182-K186 PolarHBondContact O-N 3.07Å; L182-K186 VanDerWaalsContact O-N 3.1Å; A183-K186 PolarHBondContact O-N 3.45Å; M184-K186 VanDerWaalsContact C-N 3.31Å; M184-K186 PolarHBondContact O-N 2.88Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 HydrophobicContact CB-CB 4.48Å; K186-L188 HydrophobicContact CB-CD1 3.92Å; K186-L188 HydrophobicContact CB-CG 3.93Å; K186-L188 HydrophobicContact CD-CD1 4.28Å; K186-L188 PolarHBondContact O-N 3.03Å
187G81.8Confident85.3Confident69 Ų6952.5 Ų52.571%0.71129%0.294SS*.THydrogen-bonded Turntrans62.433.7-173.100000113.5A183 M184A183-G187 PolarHBondContact O-N 3.38Å; M184-G187 PolarHBondContact O-N 3.43Å
188L86.1Confident84.9Confident80 Ų8053 Ų5342%0.41930%0.303SS..  trans-112.5163.8-178.2-63.1177.3000111.3A183 K186 V193A183-L188 WeakPolarHBondContact CB-O 3.37Å; A183-L188 PolarHBondContact O-N 2.87Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 HydrophobicContact CB-CB 4.48Å; K186-L188 HydrophobicContact CB-CD1 3.92Å; K186-L188 HydrophobicContact CB-CG 3.93Å; K186-L188 HydrophobicContact CD-CD1 4.28Å; K186-L188 PolarHBondContact O-N 3.03Å; L188-V193 HydrophobicContact CB-CG2 3.77Å; L188-V193 HydrophobicContact CD1-CG2 4.05Å
189N84.3Confident84.6Confident64 Ų6452.1 Ų52.134%0.34230%0.299SS..  trans-72.5142.6171.3-170.7-42000110.6Q191 D192 V193 Q234N189-Q191 PolarHBondContact O-N 2.63Å; N189-Q191 PolarHBondContact OD1-N 3.35Å; N189-D192 PolarHBondContact O-N 3.22Å; N189-V193 PolarHBondContact O-N 3.26Å; N189-Q234 PolarHBondContact OD1-OE1 2.78Å
190L84.8Confident84.3Confident2 Ų255.7 Ų55.71%0.0132%0.316CS..Hα-helixtrans-54.9-39.2176.7179.957.1000112.5V176 L179 D192 V193 A194 V230 F233V176-L190 HydrophobicContact CG1-CD2 4.37Å; L179-L190 VanDerWaalsContact C-CD1 3.49Å; L179-L190 HydrophobicContact CB-CD1 3.67Å; L190-D192 VanDerWaalsContact C-N 3.34Å; L190-D192 PolarHBondContact O-N 3.3Å; L190-V193 PolarHBondContact O-N 2.78Å; L190-A194 VanDerWaalsContact O-CB 3.23Å; L190-A194 WeakPolarHBondContact O-CB 3.31Å; L190-A194 PolarHBondContact O-N 2.79Å; L190-V230 HydrophobicContact CD2-CG1 3.94Å; L190-V230 HydrophobicContact CG-CG1 3.84Å; L190-F233 HydrophobicContact CD2-CD1 4.15Å
191Q82.8Confident84.1Confident87 Ų8761 Ų6141%0.40734%0.344SS..Hα-helixtrans-62.6-41.8-179.1-64.8-174.611.200111.6N189 A194 G195 V230N189-Q191 PolarHBondContact O-N 2.63Å; N189-Q191 PolarHBondContact OD1-N 3.35Å; Q191-A194 PolarHBondContact O-N 3.21Å; Q191-G195 PolarHBondContact O-N 3.39Å; Q191-V230 HydrophobicContact CG-CG1 4.06Å
192D83.3Confident84Confident90 Ų9060.8 Ų60.848%0.48134%0.343SS..Hα-helixtrans-67-39.9178.8-64.5-33.8000111.7N189 L190 K196N189-D192 PolarHBondContact O-N 3.22Å; L190-D192 VanDerWaalsContact C-N 3.34Å; L190-D192 PolarHBondContact O-N 3.3Å; D192-K196 WeakPolarHBondContact O-CG 3.36Å; D192-K196 PolarHBondContact O-N 2.66Å; D192-K196 VanDerWaalsContact O-N 3.16Å
193V85.6Confident84.1Confident4 Ų459.4 Ų59.42%0.02434%0.336CS..Hα-helixtrans-71.2-40.8179.1175.70000111.4L179 L182 A183 L188 N189 L190 G195 K196 T197L179-V193 HydrophobicContact CD2-CG1 4.08Å; L182-V193 HydrophobicContact CB-CG1 4.19Å; L182-V193 HydrophobicContact CD2-CG1 3.69Å; L182-V193 HydrophobicContact CG-CG1 3.98Å; A183-V193 HydrophobicContact CB-CB 4.32Å; A183-V193 HydrophobicContact CB-CG2 3.94Å; L188-V193 HydrophobicContact CB-CG2 3.77Å; L188-V193 HydrophobicContact CD1-CG2 4.05Å; N189-V193 PolarHBondContact O-N 3.26Å; L190-V193 PolarHBondContact O-N 2.78Å; V193-G195 VanDerWaalsContact C-N 3.35Å; V193-K196 PolarHBondContact O-N 2.92Å; V193-T197 VanDerWaalsContact O-CB 3.3Å; V193-T197 WeakPolarHBondContact O-CB 3.25Å; V193-T197 PolarHBondContact O-N 3.45Å; V193-T197 PolarHBondContact O-OG1 3.23Å
194A84.9Confident84.3Confident14 Ų1459.1 Ų59.112%0.11633%0.334CS..Hα-helixtrans-62.1-41.9175.600000111.8L179 L190 Q191 G198 F226 V230L179-A194 HydrophobicContact CD1-CB 4.18Å; L190-A194 VanDerWaalsContact O-CB 3.23Å; L190-A194 WeakPolarHBondContact O-CB 3.31Å; L190-A194 PolarHBondContact O-N 2.79Å; Q191-A194 PolarHBondContact O-N 3.21Å; A194-G198 PolarHBondContact O-N 3.38Å; A194-G198 VanDerWaalsContact O-N 3.07Å; A194-F226 HydrophobicContact CB-CE1 4.25Å; A194-V230 HydrophobicContact CB-CG2 4.46Å
195G80.1Confident84.3Confident69 Ų6962.3 Ų62.371%0.71134%0.341SS*.Hα-helixtrans-64.3-37.7175.500000113.6Q191 V193Q191-G195 PolarHBondContact O-N 3.39Å; V193-G195 VanDerWaalsContact C-N 3.35Å
196K82.1Confident84.4Confident167 Ų16759.3 Ų59.373%0.72633%0.33SS*.Hα-helixtrans-81.3-37.2-178.7-72.7175-178.4174.50114.3D192 V193D192-K196 WeakPolarHBondContact O-CG 3.36Å; D192-K196 PolarHBondContact O-N 2.66Å; D192-K196 VanDerWaalsContact O-N 3.16Å; V193-K196 PolarHBondContact O-N 2.92Å
197T79.6Confident84.5Confident43 Ų4353.3 Ų53.326%0.26430%0.304SS..Hα-helixtrans-94.7-31.9-170.6-45.20000111.7L179 L182 V193 N201L179-T197 HydrophobicContact CD2-CG2 4.05Å; L182-T197 HydrophobicContact CD2-CG2 4.39Å; V193-T197 VanDerWaalsContact O-CB 3.3Å; V193-T197 WeakPolarHBondContact O-CB 3.25Å; V193-T197 PolarHBondContact O-N 3.45Å; V193-T197 PolarHBondContact O-OG1 3.23Å; T197-N201 PolarHBondContact O-ND2 3.46Å
198G81.4Confident84.7Confident27 Ų2751 Ų5128%0.27828%0.278SS..  trans70.8132.2-176.200000113.3A194 Q200 N201A194-G198 PolarHBondContact O-N 3.38Å; A194-G198 VanDerWaalsContact O-N 3.07Å; G198-Q200 PolarHBondContact O-N 3.48Å; G198-N201 PolarHBondContact O-N 2.91Å
199F84.7Confident84.6Confident15 Ų1551.8 Ų51.87%0.06628%0.28CS..G310 helixtrans-65.2-23.1-178.874.2-86.8000113.7L172 A175 N201 C202 I203 I211 I222 R223 F226L172-F199 HydrophobicContact CD2-CD2 3.71Å; L172-F199 HydrophobicContact CD2-CE2 3.86Å; A175-F199 HydrophobicContact CB-CB 4.34Å; F199-N201 PolarHBondContact O-N 3.45Å; F199-C202 PolarHBondContact O-N 2.86Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CE2-CD1 4.19Å; F199-I211 HydrophobicContact CE2-CD1 4.07Å; F199-I222 HydrophobicContact CE2-CG2 4.03Å; F199-I222 HydrophobicContact CZ-CG2 3.95Å; F199-R223 HydrophobicContact CE1-CG 3.97Å; F199-R223 HydrophobicContact CZ-CG 4.38Å; F199-F226 HydrophobicContact CB-CD1 3.98Å; F199-F226 HydrophobicContact CB-CD2 3.77Å; F199-F226 HydrophobicContact CB-CE1 3.72Å; F199-F226 HydrophobicContact CB-CE2 3.49Å; F199-F226 VanDerWaalsContact CB-CE2 3.49Å; F199-F226 HydrophobicContact CB-CG 4.02Å; F199-F226 HydrophobicContact CB-CZ 3.49Å; F199-F226 VanDerWaalsContact CB-CZ 3.49Å; F199-F226 HydrophobicContact CD1-CB 4.48Å; F199-F226 AromaticContact CD1-CD1 3.78Å; F199-F226 HydrophobicContact CD1-CD1 3.78Å; F199-F226 HydrophobicContact CD1-CE1 4.2Å; F199-F226 AromaticContact CD1-CG 3.98Å; F199-F226 HydrophobicContact CD1-CG 3.98Å; F199-F226 HydrophobicContact CD2-CD2 4.49Å; F199-F226 HydrophobicContact CG-CD1 4.04Å; F199-F226 HydrophobicContact CG-CD2 4.03Å; F199-F226 HydrophobicContact CG-CE1 4.28Å; F199-F226 HydrophobicContact CG-CE2 4.26Å; F199-F226 AromaticContact CG-CG 3.93Å; F199-F226 HydrophobicContact CG-CG 3.93Å; F199-F226 HydrophobicContact CG-CZ 4.4Å
200Q84.1Confident84.5Confident75 Ų7551.5 Ų51.535%0.3528%0.278SS..G310 helixtrans-61.7-24.8179.2-68.7179.5-34.100113G198 C202 I203G198-Q200 PolarHBondContact O-N 3.48Å; Q200-C202 VanDerWaalsContact C-N 3.27Å; Q200-I203 WeakPolarHBondContact O-CG1 3.47Å
201N84.3Confident84.4Confident114 Ų11451.6 Ų51.661%0.6128%0.279SS*.G310 helixtrans-83.5-3.1176.1-66.1-37.5000113.3T197 G198 F199T197-N201 PolarHBondContact O-ND2 3.46Å; G198-N201 PolarHBondContact O-N 2.91Å; F199-N201 PolarHBondContact O-N 3.45Å
202C88.1Confident84.4Confident2 Ų250.7 Ų50.71%0.01428%0.282CS..G310 helixtrans-118.64.9-174.5-57.30000113F151 A175 H178 F199 Q200F151-C202 WeakPolarHBondContact CE1-O 3.49Å; A175-C202 HydrophobicContact CB-CB 3.72Å; H178-C202 HydrophobicContact CB-CB 4.46Å; H178-C202 PolarHBondContact ND1-SG 2.9Å; F199-C202 PolarHBondContact O-N 2.86Å; Q200-C202 VanDerWaalsContact C-N 3.27Å
203I89.3Confident84.3Confident1 Ų155.4 Ų55.41%0.00529%0.293CS..SBendtrans-117.8165.1178.959.8174.2000109.9A175 F199 Q200 R205 F207 A208 I211A175-I203 HydrophobicContact CB-CG2 3.91Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CE2-CD1 4.19Å; Q200-I203 WeakPolarHBondContact O-CG1 3.47Å; I203-R205 PolarHBondContact O-N 3.23Å; I203-F207 HydrophobicContact CB-CD1 4.13Å; I203-F207 HydrophobicContact CD1-CD1 3.76Å; I203-F207 HydrophobicContact CD1-CE1 4.1Å; I203-F207 HydrophobicContact CD1-CG 4.26Å; I203-F207 HydrophobicContact CG1-CD1 4.41Å; I203-A208 HydrophobicContact CD1-CB 4.08Å; I203-A208 HydrophobicContact CG1-CB 4.11Å; I203-I211 HydrophobicContact CD1-CD1 3.57Å
204P90.3Very high84.2Confident0 Ų057.9 Ų57.90%031%0.306CS..  trans-56.1138.2177.6-25.236000111.9F151 V155 F167 T206 F207 A208F151-P204 HydrophobicContact CD2-CG 4.22Å; F151-P204 HydrophobicContact CE1-CG 4.28Å; F151-P204 HydrophobicContact CE2-CG 3.68Å; F151-P204 HydrophobicContact CZ-CG 3.74Å; V155-P204 HydrophobicContact CB-CB 4.49Å; V155-P204 HydrophobicContact CB-CG 4.38Å; V155-P204 HydrophobicContact CG1-CG 4.48Å; F167-P204 HydrophobicContact CE1-CG 4.22Å; F167-P204 HydrophobicContact CZ-CG 3.89Å; P204-T206 VanDerWaalsContact C-N 3.27Å; P204-T206 PolarHBondContact O-N 3.48Å; P204-F207 HydrophobicContact CB-CB 4.35Å; P204-F207 WeakPolarHBondContact O-CA 3.42Å; P204-F207 WeakPolarHBondContact O-CB 3.29Å; P204-F207 PolarHBondContact O-N 2.92Å; P204-A208 PolarHBondContact O-N 3.38Å
205R86.7Confident84.3Confident149 Ų14961.8 Ų61.856%0.56233%0.325SS*.Hα-helixtrans-56.5-41.4-178.2-75.7-175.7-169.8-163.14.3112.6V152 N153 I203 F207 A208 E209V152-R205 HydrophobicContact CG1-CG 4.29Å; V152-R205 WeakPolarHBondContact O-CG 3.49Å; V152-R205 PolarHBondContact O-N 2.86Å; N153-R205 PolarHBondContact OD1-NE 3.44Å; N153-R205 PolarHBondContact OD1-NH2 3.36Å; I203-R205 PolarHBondContact O-N 3.23Å; R205-F207 VanDerWaalsContact C-N 3.3Å; R205-F207 PolarHBondContact O-N 2.84Å; R205-A208 PolarHBondContact O-N 2.99Å; R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 VanDerWaalsContact O-CG 3.31Å; R205-E209 WeakPolarHBondContact O-CG 3.48Å; R205-E209 PolarHBondContact O-N 2.75Å
206T84.5Confident84.5Confident46 Ų4665.9 Ų65.928%0.28232%0.323SS..Hα-helixtrans-56.1-44.9175.149.60000111.4V155 P204 E209 N210V155-T206 PolarHBondContact O-OG1 3.01Å; P204-T206 VanDerWaalsContact C-N 3.27Å; P204-T206 PolarHBondContact O-N 3.48Å; T206-E209 PolarHBondContact O-N 2.84Å; T206-N210 WeakPolarHBondContact O-CB 3.01Å; T206-N210 PolarHBondContact O-N 2.88Å; T206-N210 PolarHBondContact O-ND2 3.15Å
207F86Confident84.5Confident2 Ų264.3 Ų64.31%0.00932%0.322CS..Hα-helixtrans-69-42.1176.4-178.6-151000112.2K168 I203 P204 R205 E209 N210 I211K168-F207 HydrophobicContact CB-CE1 4.11Å; K168-F207 HydrophobicContact CB-CE2 4.16Å; K168-F207 HydrophobicContact CB-CZ 3.69Å; K168-F207 HydrophobicContact CD-CD2 4.35Å; K168-F207 HydrophobicContact CD-CE2 3.71Å; K168-F207 HydrophobicContact CD-CZ 4.11Å; K168-F207 HydrophobicContact CG-CD2 4Å; K168-F207 HydrophobicContact CG-CE1 4.1Å; K168-F207 HydrophobicContact CG-CE2 3.5Å; K168-F207 HydrophobicContact CG-CZ 3.56Å; I203-F207 HydrophobicContact CB-CD1 4.13Å; I203-F207 HydrophobicContact CD1-CD1 3.76Å; I203-F207 HydrophobicContact CD1-CE1 4.1Å; I203-F207 HydrophobicContact CD1-CG 4.26Å; I203-F207 HydrophobicContact CG1-CD1 4.41Å; P204-F207 HydrophobicContact CB-CB 4.35Å; P204-F207 WeakPolarHBondContact O-CA 3.42Å; P204-F207 WeakPolarHBondContact O-CB 3.29Å; P204-F207 PolarHBondContact O-N 2.92Å; R205-F207 VanDerWaalsContact C-N 3.3Å; R205-F207 PolarHBondContact O-N 2.84Å; F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.36Å; F207-N210 PolarHBondContact O-N 2.84Å; F207-I211 HydrophobicContact CD1-CD1 4.41Å; F207-I211 HydrophobicContact CD2-CD1 3.93Å; F207-I211 HydrophobicContact CD2-CG1 3.89Å; F207-I211 HydrophobicContact CE1-CD1 4.11Å; F207-I211 HydrophobicContact CE2-CD1 3.56Å; F207-I211 HydrophobicContact CE2-CG1 3.53Å; F207-I211 HydrophobicContact CG-CD1 4.32Å; F207-I211 HydrophobicContact CZ-CD1 3.67Å; F207-I211 HydrophobicContact CZ-CG1 4.12Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.96Å
208A85.3Confident84.6Confident20 Ų2063.5 Ų63.517%0.16532%0.317CS..Hα-helixtrans-60.6-41.3175.500000112.2I203 P204 R205 I211 S212I203-A208 HydrophobicContact CD1-CB 4.08Å; I203-A208 HydrophobicContact CG1-CB 4.11Å; P204-A208 PolarHBondContact O-N 3.38Å; R205-A208 PolarHBondContact O-N 2.99Å; A208-I211 PolarHBondContact O-N 3.35Å; A208-S212 PolarHBondContact O-N 3.14Å
209E84.4Confident84.7Confident96 Ų9665.3 Ų65.345%0.44932%0.318SS..Hα-helixtrans-64.2-42.6173.7-74.3176.6-16300111.6R205 T206 F207 I211 S212 R213R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 VanDerWaalsContact O-CG 3.31Å; R205-E209 WeakPolarHBondContact O-CG 3.48Å; R205-E209 PolarHBondContact O-N 2.75Å; T206-E209 PolarHBondContact O-N 2.84Å; F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.36Å; E209-I211 PolarHBondContact O-N 3.49Å; E209-S212 WeakPolarHBondContact O-CA 3.28Å; E209-S212 WeakPolarHBondContact O-CB 3.36Å; E209-S212 PolarHBondContact O-N 2.82Å; E209-S212 PolarHBondContact O-OG 2.78Å; E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 3.37Å; E209-R213 VanDerWaalsContact O-N 3.08Å
210N82.4Confident84.6Confident58 Ų5868.6 Ų68.631%0.3134%0.335SS..Hα-helixtrans-60.6-45.7175.2-72.7-15.8000111.5E157 T206 F207 S212 R213 D214E157-N210 PolarHBondContact OE2-ND2 2.95Å; T206-N210 WeakPolarHBondContact O-CB 3.01Å; T206-N210 PolarHBondContact O-N 2.88Å; T206-N210 PolarHBondContact O-ND2 3.15Å; F207-N210 PolarHBondContact O-N 2.84Å; N210-S212 PolarHBondContact O-N 3.15Å; N210-R213 PolarHBondContact O-N 3.07Å; N210-D214 PolarHBondContact O-N 2.91Å
211I82.7Confident84.7Confident4 Ų472.9 Ų72.92%0.02135%0.348CS..Hα-helixtrans-59-36.3173.8-64.8164.4000110.9F199 I203 F207 A208 E209 R213 D214 K219 I222F199-I211 HydrophobicContact CE2-CD1 4.07Å; I203-I211 HydrophobicContact CD1-CD1 3.57Å; F207-I211 HydrophobicContact CD1-CD1 4.41Å; F207-I211 HydrophobicContact CD2-CD1 3.93Å; F207-I211 HydrophobicContact CD2-CG1 3.89Å; F207-I211 HydrophobicContact CE1-CD1 4.11Å; F207-I211 HydrophobicContact CE2-CD1 3.56Å; F207-I211 HydrophobicContact CE2-CG1 3.53Å; F207-I211 HydrophobicContact CG-CD1 4.32Å; F207-I211 HydrophobicContact CZ-CD1 3.67Å; F207-I211 HydrophobicContact CZ-CG1 4.12Å; F207-I211 WeakPolarHBondContact O-CG1 3.4Å; F207-I211 PolarHBondContact O-N 2.96Å; A208-I211 PolarHBondContact O-N 3.35Å; E209-I211 PolarHBondContact O-N 3.49Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.9Å; I211-D214 PolarHBondContact O-N 3.18Å; I211-K219 HydrophobicContact CG2-CG 4.36Å; I211-K219 WeakPolarHBondContact O-CE 3.34Å; I211-K219 WeakPolarHBondContact O-CG 3.34Å; I211-I222 HydrophobicContact CD1-CG2 4.39Å; I211-I222 HydrophobicContact CG1-CD1 3.99Å
212S81.6Confident84.7Confident68 Ų6868.3 Ų68.348%0.47632%0.323SS..Hα-helixtrans-67.3-29.5177.783.60000112.9A208 E209 N210 K219A208-S212 PolarHBondContact O-N 3.14Å; E209-S212 WeakPolarHBondContact O-CA 3.28Å; E209-S212 WeakPolarHBondContact O-CB 3.36Å; E209-S212 PolarHBondContact O-N 2.82Å; E209-S212 PolarHBondContact O-OG 2.78Å; N210-S212 PolarHBondContact O-N 3.15Å; S212-K219 VanDerWaalsContact O-CE 3.25Å; S212-K219 WeakPolarHBondContact O-CE 3.4Å; S212-K219 PolarHBondContact O-NZ 3.37Å
213R82.7Confident84.5Confident189 Ų18975.3 Ų75.371%0.71335%0.35SS*.Hα-helixtrans-87-19.6178.2-66.1176.1-174.6177.25.8113.4E209 N210 I211E209-R213 WeakPolarHBondContact O-CG 3.3Å; E209-R213 PolarHBondContact O-N 3.37Å; E209-R213 VanDerWaalsContact O-N 3.08Å; N210-R213 PolarHBondContact O-N 3.07Å; I211-R213 VanDerWaalsContact C-N 3.29Å; I211-R213 PolarHBondContact O-N 2.9Å
214D83.8Confident84.3Confident57 Ų5783.3 Ų83.331%0.30538%0.38SS..SBendtrans-63157.8179.6-81.3-30000114.2N210 I211 T218 K219N210-D214 PolarHBondContact O-N 2.91Å; I211-D214 PolarHBondContact O-N 3.18Å; D214-T218 HydrophobicContact CB-CG2 4.03Å; D214-K219 HydrophobicContact CB-CG 4.46Å; D214-K219 WeakPolarHBondContact O-CE 3.41Å; D214-K219 PolarHBondContact O-NZ 3.42Å
215N86.1Confident84.1Confident96 Ų9685.4 Ų85.451%0.51339%0.392SS..  trans-64.3158.4176.674.951.9000112.2L217 T218 K219N215-L217 VanDerWaalsContact C-N 3.3Å; N215-L217 PolarHBondContact O-N 2.77Å; N215-L217 PolarHBondContact OD1-N 3.13Å; N215-T218 PolarHBondContact ND2-OG1 3.33Å; N215-T218 PolarHBondContact O-N 2.9Å; N215-T218 PolarHBondContact OD1-N 3.03Å; N215-T218 PolarHBondContact OD1-OG1 3.41Å; N215-K219 PolarHBondContact O-N 3.26Å; N215-K219 VanDerWaalsContact O-N 3.14Å
216F83.8Confident84.1Confident154 Ų15478.9 Ų78.968%0.67537%0.368SS*.Hα-helixtrans-57.9-38.8-173.9-178.4-104.2000113.6K219 I220F216-K219 PolarHBondContact O-N 2.8Å; F216-I220 HydrophobicContact CD1-CD1 3.87Å; F216-I220 HydrophobicContact CE1-CD1 3.29Å; F216-I220 HydrophobicContact CE1-CG1 4.37Å; F216-I220 HydrophobicContact CE2-CD1 4.31Å; F216-I220 HydrophobicContact CZ-CD1 3.55Å; F216-I220 HydrophobicContact CZ-CG1 4.4Å; F216-I220 PolarHBondContact O-N 3.21Å; F216-I220 VanDerWaalsContact O-N 3.16Å
217L83.5Confident84.2Confident134 Ų13479.9 Ų79.970%0.70237%0.374SS*.Hα-helixtrans-68.5-41179.7-66.8173.7000111.8N215 K219 I220 R221N215-L217 VanDerWaalsContact C-N 3.3Å; N215-L217 PolarHBondContact O-N 2.77Å; N215-L217 PolarHBondContact OD1-N 3.13Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.02Å; L217-I220 PolarHBondContact O-N 2.8Å; L217-R221 WeakPolarHBondContact O-CB 3.43Å; L217-R221 PolarHBondContact O-N 2.93Å
218T81.8Confident84.2Confident26 Ų2684 Ų8416%0.1639%0.393CS..Hα-helixtrans-62.2-41.9175.9-59.50000111.3D214 N215 I220 R221 I222D214-T218 HydrophobicContact CB-CG2 4.03Å; N215-T218 PolarHBondContact ND2-OG1 3.33Å; N215-T218 PolarHBondContact O-N 2.9Å; N215-T218 PolarHBondContact OD1-N 3.03Å; N215-T218 PolarHBondContact OD1-OG1 3.41Å; T218-I220 PolarHBondContact O-N 2.92Å; T218-R221 WeakPolarHBondContact O-CB 3.42Å; T218-R221 PolarHBondContact O-N 2.79Å; T218-I222 HydrophobicContact CG2-CD1 3.96Å; T218-I222 HydrophobicContact CG2-CG1 4.49Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 3.1Å
219K83Confident84.1Confident66 Ų6687.8 Ų87.829%0.28741%0.406SS..Hα-helixtrans-60.6-43.8175.5-73.3168.3173.5155.10112.6I211 S212 D214 N215 F216 L217 R223I211-K219 HydrophobicContact CG2-CG 4.36Å; I211-K219 WeakPolarHBondContact O-CE 3.34Å; I211-K219 WeakPolarHBondContact O-CG 3.34Å; S212-K219 VanDerWaalsContact O-CE 3.25Å; S212-K219 WeakPolarHBondContact O-CE 3.4Å; S212-K219 PolarHBondContact O-NZ 3.37Å; D214-K219 HydrophobicContact CB-CG 4.46Å; D214-K219 WeakPolarHBondContact O-CE 3.41Å; D214-K219 PolarHBondContact O-NZ 3.42Å; N215-K219 PolarHBondContact O-N 3.26Å; N215-K219 VanDerWaalsContact O-N 3.14Å; F216-K219 PolarHBondContact O-N 2.8Å; L217-K219 VanDerWaalsContact C-N 3.35Å; L217-K219 PolarHBondContact O-N 3.02Å; K219-R223 WeakPolarHBondContact O-CG 3.34Å; K219-R223 PolarHBondContact O-N 3.02Å; K219-R223 VanDerWaalsContact O-N 3.12Å
220I83.2Confident84.2Confident83 Ų8383.5 Ų83.543%0.42639%0.387SS..Hα-helixtrans-64.1-44.8175.3-71.1176.2000110.5F216 L217 T218 I222 R223 R224F216-I220 HydrophobicContact CD1-CD1 3.87Å; F216-I220 HydrophobicContact CE1-CD1 3.29Å; F216-I220 HydrophobicContact CE1-CG1 4.37Å; F216-I220 HydrophobicContact CE2-CD1 4.31Å; F216-I220 HydrophobicContact CZ-CD1 3.55Å; F216-I220 HydrophobicContact CZ-CG1 4.4Å; F216-I220 PolarHBondContact O-N 3.21Å; F216-I220 VanDerWaalsContact O-N 3.16Å; L217-I220 PolarHBondContact O-N 2.8Å; T218-I220 PolarHBondContact O-N 2.92Å; I220-I222 PolarHBondContact O-N 3.28Å; I220-R223 PolarHBondContact O-N 2.9Å; I220-R224 WeakPolarHBondContact O-CB 3.33Å; I220-R224 PolarHBondContact O-N 3.14Å
221R85.1Confident84.3Confident165 Ų16584.8 Ų84.862%0.62339%0.391SS*.Hα-helixtrans-57.7-49.2179.2-171.6-18069.4165.62.1111.3L217 T218 R223 R224 V225L217-R221 WeakPolarHBondContact O-CB 3.43Å; L217-R221 PolarHBondContact O-N 2.93Å; T218-R221 WeakPolarHBondContact O-CB 3.42Å; T218-R221 PolarHBondContact O-N 2.79Å; R221-R223 PolarHBondContact O-N 3.27Å; R221-R224 PolarHBondContact O-N 3.29Å; R221-V225 VanDerWaalsContact O-CG2 3.31Å; R221-V225 WeakPolarHBondContact O-CG2 3.43Å; R221-V225 PolarHBondContact O-N 3.47Å
222I83.7Confident84.3Confident19 Ų1988.3 Ų88.310%0.09741%0.413CS..Hα-helixtrans-63-43.1179.8-66.5171.2000111.1L172 F199 I211 T218 I220 R224 V225 F226L172-I222 HydrophobicContact CD1-CG2 4.36Å; L172-I222 HydrophobicContact CD2-CG2 4.36Å; F199-I222 HydrophobicContact CE2-CG2 4.03Å; F199-I222 HydrophobicContact CZ-CG2 3.95Å; I211-I222 HydrophobicContact CD1-CG2 4.39Å; I211-I222 HydrophobicContact CG1-CD1 3.99Å; T218-I222 HydrophobicContact CG2-CD1 3.96Å; T218-I222 HydrophobicContact CG2-CG1 4.49Å; T218-I222 WeakPolarHBondContact O-CG1 3.36Å; T218-I222 PolarHBondContact O-N 3.1Å; I220-I222 PolarHBondContact O-N 3.28Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 3.41Å; I222-V225 PolarHBondContact O-N 3.49Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 2.94Å
223R84.4Confident84.4Confident149 Ų14987.1 Ų87.156%0.56240%0.399SS*.Hα-helixtrans-61.2-41.5175.6-79.5179.4176.6-175.1-0.6112.5F199 K219 I220 R221 F226 T227F199-R223 HydrophobicContact CE1-CG 3.97Å; F199-R223 HydrophobicContact CZ-CG 4.38Å; K219-R223 WeakPolarHBondContact O-CG 3.34Å; K219-R223 PolarHBondContact O-N 3.02Å; K219-R223 VanDerWaalsContact O-N 3.12Å; I220-R223 PolarHBondContact O-N 2.9Å; R221-R223 PolarHBondContact O-N 3.27Å; R223-F226 PolarHBondContact O-N 2.97Å; R223-T227 WeakPolarHBondContact O-CB 3.19Å; R223-T227 PolarHBondContact O-N 3.46Å; R223-T227 PolarHBondContact O-OG1 2.64Å
224R84.8Confident84.3Confident169 Ų16978.6 Ų78.664%0.63837%0.367SS*.Hα-helixtrans-64.5-48.4177.5-176.3177.6173.6167.53.4111.2I220 R221 I222 F226 T227 E228I220-R224 WeakPolarHBondContact O-CB 3.33Å; I220-R224 PolarHBondContact O-N 3.14Å; R221-R224 PolarHBondContact O-N 3.29Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 3.41Å; R224-F226 PolarHBondContact O-N 3.25Å; R224-T227 PolarHBondContact O-N 3.36Å; R224-T227 VanDerWaalsContact O-N 3.14Å; R224-E228 WeakPolarHBondContact CG-OE1 3.2Å; R224-E228 IonicContact CZ-OE1 3.51Å; R224-E228 IonicContact NE-OE1 2.7Å; R224-E228 PolarHBondContact NE-OE1 3.05Å; R224-E228 IonicContact NH2-OE1 3.22Å; R224-E228 WeakPolarHBondContact O-CG 3.41Å; R224-E228 PolarHBondContact O-N 3.13Å
225V86.4Confident84.1Confident43 Ų4381.1 Ų81.126%0.26138%0.377SS..Hα-helixtrans-55.9-50.8175.61720000110.2L172 R221 I222 T227 E228 F229L172-V225 HydrophobicContact CD1-CG1 4.39Å; R221-V225 VanDerWaalsContact O-CG2 3.31Å; R221-V225 WeakPolarHBondContact O-CG2 3.43Å; R221-V225 PolarHBondContact O-N 3.47Å; I222-V225 PolarHBondContact O-N 3.49Å; V225-T227 VanDerWaalsContact C-N 3.29Å; V225-T227 PolarHBondContact O-N 3.44Å; V225-E228 PolarHBondContact O-N 3.07Å; V225-F229 HydrophobicContact CG1-CD2 3.81Å; V225-F229 HydrophobicContact CG1-CE2 3.74Å; V225-F229 VanDerWaalsContact O-CD2 3.27Å; V225-F229 WeakPolarHBondContact O-CD2 3.36Å; V225-F229 PolarHBondContact O-N 3.26Å
226F87.6Confident83.8Confident12 Ų1281.3 Ų81.35%0.05338%0.375CS..Hα-helixtrans-58.8-40.3178.2178.4-97.2000112.8L172 A175 V176 L179 A194 F199 I222 R223 R224 F229 V230L172-F226 HydrophobicContact CD2-CD2 4.21Å; A175-F226 HydrophobicContact CB-CE2 4.15Å; V176-F226 HydrophobicContact CG2-CD2 4.23Å; V176-F226 HydrophobicContact CG2-CE2 3.66Å; V176-F226 HydrophobicContact CG2-CZ 4.36Å; L179-F226 HydrophobicContact CD1-CE1 4.43Å; L179-F226 HydrophobicContact CD1-CE2 4.35Å; L179-F226 HydrophobicContact CD1-CZ 3.56Å; A194-F226 HydrophobicContact CB-CE1 4.25Å; F199-F226 HydrophobicContact CB-CD1 3.98Å; F199-F226 HydrophobicContact CB-CD2 3.77Å; F199-F226 HydrophobicContact CB-CE1 3.72Å; F199-F226 HydrophobicContact CB-CE2 3.49Å; F199-F226 VanDerWaalsContact CB-CE2 3.49Å; F199-F226 HydrophobicContact CB-CG 4.02Å; F199-F226 HydrophobicContact CB-CZ 3.49Å; F199-F226 VanDerWaalsContact CB-CZ 3.49Å; F199-F226 HydrophobicContact CD1-CB 4.48Å; F199-F226 AromaticContact CD1-CD1 3.78Å; F199-F226 HydrophobicContact CD1-CD1 3.78Å; F199-F226 HydrophobicContact CD1-CE1 4.2Å; F199-F226 AromaticContact CD1-CG 3.98Å; F199-F226 HydrophobicContact CD1-CG 3.98Å; F199-F226 HydrophobicContact CD2-CD2 4.49Å; F199-F226 HydrophobicContact CG-CD1 4.04Å; F199-F226 HydrophobicContact CG-CD2 4.03Å; F199-F226 HydrophobicContact CG-CE1 4.28Å; F199-F226 HydrophobicContact CG-CE2 4.26Å; F199-F226 AromaticContact CG-CG 3.93Å; F199-F226 HydrophobicContact CG-CG 3.93Å; F199-F226 HydrophobicContact CG-CZ 4.4Å; I222-F226 WeakPolarHBondContact O-CB 3.5Å; I222-F226 PolarHBondContact O-N 2.94Å; R223-F226 PolarHBondContact O-N 2.97Å; R224-F226 PolarHBondContact O-N 3.25Å; F226-F229 PolarHBondContact O-N 2.97Å; F226-V230 HydrophobicContact CD1-CG2 4.24Å; F226-V230 HydrophobicContact CE1-CG2 3.61Å; F226-V230 HydrophobicContact CE2-CG2 4.08Å; F226-V230 HydrophobicContact CZ-CG2 3.48Å; F226-V230 VanDerWaalsContact CZ-CG2 3.48Å; F226-V230 WeakPolarHBondContact O-CG2 3.21Å; F226-V230 PolarHBondContact O-N 2.68Å
227T85.9Confident83.4Confident68 Ų6875.2 Ų75.242%0.41735%0.35SS..Hα-helixtrans-65.9-42.7178.1-54.20000111.8R223 R224 V225 F229 V230 Q231R223-T227 WeakPolarHBondContact O-CB 3.19Å; R223-T227 PolarHBondContact O-N 3.46Å; R223-T227 PolarHBondContact O-OG1 2.64Å; R224-T227 PolarHBondContact O-N 3.36Å; R224-T227 VanDerWaalsContact O-N 3.14Å; V225-T227 VanDerWaalsContact C-N 3.29Å; V225-T227 PolarHBondContact O-N 3.44Å; T227-F229 VanDerWaalsContact C-N 3.34Å; T227-F229 PolarHBondContact O-N 3.16Å; T227-V230 PolarHBondContact O-N 3.29Å; T227-Q231 WeakPolarHBondContact O-CG 3.36Å; T227-Q231 PolarHBondContact O-N 2.9Å
228E85.1Confident83Confident87 Ų8771.1 Ų71.141%0.40733%0.331SS..Hα-helixtrans-62-41.2175.1-73.5172.9-172.300111.1R224 V225 Q231 T232R224-E228 WeakPolarHBondContact CG-OE1 3.2Å; R224-E228 IonicContact CZ-OE1 3.51Å; R224-E228 IonicContact NE-OE1 2.7Å; R224-E228 PolarHBondContact NE-OE1 3.05Å; R224-E228 IonicContact NH2-OE1 3.22Å; R224-E228 WeakPolarHBondContact O-CG 3.41Å; R224-E228 PolarHBondContact O-N 3.13Å; V225-E228 PolarHBondContact O-N 3.07Å; E228-Q231 PolarHBondContact O-N 3.38Å; E228-T232 WeakPolarHBondContact O-CB 3.25Å; E228-T232 PolarHBondContact O-N 3.44Å; E228-T232 PolarHBondContact O-OG1 2.99Å
229F85Confident82.7Confident101 Ų10174.9 Ų74.944%0.44335%0.35SS..Hα-helixtrans-61.3-46.9174.2-92.8-103.8000112.3V176 V225 F226 T227 T232 F233V176-F229 HydrophobicContact CG2-CB 4.23Å; V225-F229 HydrophobicContact CG1-CD2 3.81Å; V225-F229 HydrophobicContact CG1-CE2 3.74Å; V225-F229 VanDerWaalsContact O-CD2 3.27Å; V225-F229 WeakPolarHBondContact O-CD2 3.36Å; V225-F229 PolarHBondContact O-N 3.26Å; F226-F229 PolarHBondContact O-N 2.97Å; T227-F229 VanDerWaalsContact C-N 3.34Å; T227-F229 PolarHBondContact O-N 3.16Å; F229-T232 PolarHBondContact O-N 2.73Å; F229-F233 VanDerWaalsContact O-CB 3.26Å; F229-F233 WeakPolarHBondContact O-CB 3.33Å; F229-F233 PolarHBondContact O-N 3.41Å
230V86Confident82.3Confident6 Ų677.7 Ų77.74%0.03636%0.362CS..Hα-helixtrans-61.3-45177.7164.70000111.6V176 L190 Q191 A194 F226 T227 F233 Q234V176-V230 HydrophobicContact CG2-CG2 4.05Å; L190-V230 HydrophobicContact CD2-CG1 3.94Å; L190-V230 HydrophobicContact CG-CG1 3.84Å; Q191-V230 HydrophobicContact CG-CG1 4.06Å; A194-V230 HydrophobicContact CB-CG2 4.46Å; F226-V230 HydrophobicContact CD1-CG2 4.24Å; F226-V230 HydrophobicContact CE1-CG2 3.61Å; F226-V230 HydrophobicContact CE2-CG2 4.08Å; F226-V230 HydrophobicContact CZ-CG2 3.48Å; F226-V230 VanDerWaalsContact CZ-CG2 3.48Å; F226-V230 WeakPolarHBondContact O-CG2 3.21Å; F226-V230 PolarHBondContact O-N 2.68Å; T227-V230 PolarHBondContact O-N 3.29Å; V230-F233 PolarHBondContact O-N 2.62Å; V230-Q234 WeakPolarHBondContact O-CB 3.48Å; V230-Q234 PolarHBondContact O-N 3.29Å
231Q84.3Confident81.5Confident85 Ų8576.9 Ų76.940%0.39737%0.374SS..Hα-helixtrans-63.4-46.6178.7-74.4177.8-700111.8T227 E228 Q234 Q235T227-Q231 WeakPolarHBondContact O-CG 3.36Å; T227-Q231 PolarHBondContact O-N 2.9Å; E228-Q231 PolarHBondContact O-N 3.38Å; Q231-Q234 PolarHBondContact O-N 3.46Å; Q231-Q235 WeakPolarHBondContact O-CG 3.41Å; Q231-Q235 PolarHBondContact O-N 3.46Å
232T83.4Confident80.6Confident78 Ų7875 Ų7548%0.47937%0.373SS..Hα-helixtrans-63-44.9179.4-52.60000110.9E228 F229 Q235 H236E228-T232 WeakPolarHBondContact O-CB 3.25Å; E228-T232 PolarHBondContact O-N 3.44Å; E228-T232 PolarHBondContact O-OG1 2.99Å; F229-T232 PolarHBondContact O-N 2.73Å; T232-Q235 PolarHBondContact O-N 3.23Å; T232-H236 WeakPolarHBondContact O-CB 3.29Å; T232-H236 PolarHBondContact O-CD2 2.77Å; T232-H236 PolarHBondContact O-N 3.4Å
233F82.3Confident80Confident42 Ų4276.7 Ų76.718%0.18438%0.382CS..Hα-helixtrans-66.8-39.1179.7-165.1-97.7000112.3V176 L177 S180 L190 F229 V230 T237 V238V176-F233 HydrophobicContact CG1-CB 4.03Å; V176-F233 HydrophobicContact CG1-CD1 3.89Å; V176-F233 HydrophobicContact CG1-CD2 4.46Å; V176-F233 HydrophobicContact CG1-CE1 4.5Å; V176-F233 HydrophobicContact CG1-CG 3.87Å; L177-F233 HydrophobicContact CD2-CZ 4.21Å; S180-F233 WeakPolarHBondContact OG-CE1 3.42Å; L190-F233 HydrophobicContact CD2-CD1 4.15Å; F229-F233 VanDerWaalsContact O-CB 3.26Å; F229-F233 WeakPolarHBondContact O-CB 3.33Å; F229-F233 PolarHBondContact O-N 3.41Å; V230-F233 PolarHBondContact O-N 2.62Å; F233-T237 HydrophobicContact CE1-CG2 4.4Å; F233-T237 HydrophobicContact CE2-CG2 3.94Å; F233-T237 HydrophobicContact CZ-CG2 3.87Å; F233-T237 WeakPolarHBondContact O-CA 3.36Å; F233-T237 WeakPolarHBondContact O-CB 3.38Å; F233-T237 PolarHBondContact O-N 3.17Å; F233-V238 HydrophobicContact CD1-CG2 3.76Å; F233-V238 HydrophobicContact CE1-CG2 3.77Å; F233-V238 PolarHBondContact O-N 3.09Å; F233-V238 VanDerWaalsContact O-N 3.14Å
234Q80.3Confident79.8Confident11 Ų1170.9 Ų70.95%0.05137%0.368CS..Iπ-helixtrans-61.1-53.3175-17565.642.700111.1N189 V230 Q231 V238 D239N189-Q234 PolarHBondContact OD1-OE1 2.78Å; V230-Q234 WeakPolarHBondContact O-CB 3.48Å; V230-Q234 PolarHBondContact O-N 3.29Å; Q231-Q234 PolarHBondContact O-N 3.46Å; Q234-V238 PolarHBondContact O-N 2.62Å; Q234-D239 PolarHBondContact NE2-OD1 3.37Å; Q234-D239 WeakPolarHBondContact O-CB 3.03Å; Q234-D239 VanDerWaalsContact O-CG 3.26Å; Q234-D239 PolarHBondContact O-N 3.06Å
235Q80.5Confident79.8Confident109 Ų10964.4 Ų64.451%0.50935%0.351SS..Iπ-helixtrans-68-40.1-174.7-71.1175.9-3.800113.6Q231 T232Q231-Q235 WeakPolarHBondContact O-CG 3.41Å; Q231-Q235 PolarHBondContact O-N 3.46Å; T232-Q235 PolarHBondContact O-N 3.23Å
236H79.4Confident79.8Confident101 Ų10165.9 Ų65.947%0.46835%0.354SS..Iπ-helixtrans-95-21.3-171.3-70.6-83.2000114T232 K240T232-H236 WeakPolarHBondContact O-CB 3.29Å; T232-H236 PolarHBondContact O-CD2 2.77Å; T232-H236 PolarHBondContact O-N 3.4Å; H236-K240 WeakPolarHBondContact O-CD 3.46Å
237T76.8Confident79.8Confident25 Ų2570 Ų7015%0.15337%0.374CS..Iπ-helixtrans-121.9-54.7-171.9-47.60000112.2F233 Q242 L243F233-T237 HydrophobicContact CE1-CG2 4.4Å; F233-T237 HydrophobicContact CE2-CG2 3.94Å; F233-T237 HydrophobicContact CZ-CG2 3.87Å; F233-T237 WeakPolarHBondContact O-CA 3.36Å; F233-T237 WeakPolarHBondContact O-CB 3.38Å; F233-T237 PolarHBondContact O-N 3.17Å; T237-Q242 PolarHBondContact O-N 2.7Å; T237-L243 HydrophobicContact CG2-CB 4.2Å; T237-L243 HydrophobicContact CG2-CD1 3.38Å; T237-L243 HydrophobicContact CG2-CG 4.38Å
238V73.9Confident80Confident49 Ų4967 Ų6730%0.29736%0.355SS..Iπ-helixtrans-73.5-49.9-174.3-177.60000111.4F233 Q234 K240 G241F233-V238 HydrophobicContact CD1-CG2 3.76Å; F233-V238 HydrophobicContact CE1-CG2 3.77Å; F233-V238 PolarHBondContact O-N 3.09Å; F233-V238 VanDerWaalsContact O-N 3.14Å; Q234-V238 PolarHBondContact O-N 2.62Å; V238-K240 PolarHBondContact O-N 3.03Å; V238-G241 PolarHBondContact O-N 2.81Å
239D76Confident80.3Confident105 Ų10562.9 Ų62.956%0.56134%0.336SS*.THydrogen-bonded Turntrans-65.3-23.1-178.9-69.6-22.1000112.7Q234 G241Q234-D239 PolarHBondContact NE2-OD1 3.37Å; Q234-D239 WeakPolarHBondContact O-CB 3.03Å; Q234-D239 VanDerWaalsContact O-CG 3.26Å; Q234-D239 PolarHBondContact O-N 3.06Å; D239-G241 VanDerWaalsContact C-N 3.33Å
240K73.8Confident80.6Confident124 Ų12461.9 Ų61.954%0.53933%0.33SS..THydrogen-bonded Turntrans-85.9-1.6175.8-62.7-166-174.9176.60113.8H236 V238 Q242H236-K240 WeakPolarHBondContact O-CD 3.46Å; V238-K240 PolarHBondContact O-N 3.03Å; K240-Q242 HydrophobicContact CB-CG 3.77Å; K240-Q242 PolarHBondContact O-N 3.3Å
241G65.9Low80.9Confident66 Ų6666.8 Ų66.868%0.6835%0.35SS*.THydrogen-bonded Turntrans63.224.2-178.600000114.1V238 D239 L243V238-G241 PolarHBondContact O-N 2.81Å; D239-G241 VanDerWaalsContact C-N 3.33Å; G241-L243 PolarHBondContact O-N 2.67Å
242Q66.6Low81.3Confident127 Ų12762.7 Ų62.759%0.59333%0.332SS*.  trans-83.5-6.6-171.3-70.3-177.1-1000114.2T237 K240T237-Q242 PolarHBondContact O-N 2.7Å; K240-Q242 HydrophobicContact CB-CG 3.77Å; K240-Q242 PolarHBondContact O-N 3.3Å
243L71.3Confident81.8Confident54 Ų5459 Ų5928%0.28331%0.309SS..  trans-137.7126.2179.7-110.2112.8000111.4M184 T237 G241 E247 I248M184-L243 WeakPolarHBondContact CE-O 3.23Å; T237-L243 HydrophobicContact CG2-CB 4.2Å; T237-L243 HydrophobicContact CG2-CD1 3.38Å; T237-L243 HydrophobicContact CG2-CG 4.38Å; G241-L243 PolarHBondContact O-N 2.67Å; L243-E247 HydrophobicContact CD2-CB 3.73Å; L243-E247 HydrophobicContact CG-CB 4.01Å; L243-I248 HydrophobicContact CD2-CB 4.41Å; L243-I248 HydrophobicContact CD2-CG1 3.49Å; L243-I248 VanDerWaalsContact CD2-CG1 3.49Å
244G80.8Confident82.3Confident27 Ų2757.3 Ų57.328%0.27830%0.302SS..  trans-86.6173.2168.300000112.3H246 E247 I248G244-H246 PolarHBondContact O-N 3.14Å; G244-E247 WeakPolarHBondContact CA-OE2 3.14Å; G244-E247 PolarHBondContact N-OE2 3.18Å; G244-E247 PolarHBondContact O-N 3Å; G244-I248 WeakPolarHBondContact O-CG1 3.5Å; G244-I248 PolarHBondContact O-N 2.96Å
245A83.9Confident82.9Confident33 Ų3357.6 Ų57.627%0.27331%0.305SS..Hα-helixtrans-63.6-31.4-179.300000112.5M249A245-M249 WeakPolarHBondContact O-CG 3.41Å; A245-M249 PolarHBondContact O-N 2.91Å
246H87.1Confident83.4Confident73 Ų7352.5 Ų52.534%0.33828%0.281SS..Hα-helixtrans-73.2-41.5-179.9-63.2177.8000111.8G244 I248 M249 Y250G244-H246 PolarHBondContact O-N 3.14Å; H246-I248 VanDerWaalsContact C-N 3.27Å; H246-I248 PolarHBondContact O-N 2.96Å; H246-M249 HydrophobicContact CB-CE 4.41Å; H246-M249 VanDerWaalsContact CD2-CE 3.47Å; H246-M249 WeakPolarHBondContact CD2-CE 3.28Å; H246-M249 WeakPolarHBondContact O-CB 3.25Å; H246-M249 PolarHBondContact O-N 3.22Å; H246-M249 VanDerWaalsContact O-N 3.09Å; H246-Y250 HydrophobicContact CB-CE2 4.29Å; H246-Y250 WeakPolarHBondContact O-CD2 3.46Å; H246-Y250 PolarHBondContact O-N 3.47Å
247E87.8Confident84Confident100 Ų10047.7 Ų47.747%0.46726%0.259SS..Hα-helixtrans-61.8-37.3176.3-6678.5-173.600111.3L243 G244 Y250 K251L243-E247 HydrophobicContact CD2-CB 3.73Å; L243-E247 HydrophobicContact CG-CB 4.01Å; G244-E247 WeakPolarHBondContact CA-OE2 3.14Å; G244-E247 PolarHBondContact N-OE2 3.18Å; G244-E247 PolarHBondContact O-N 3Å; E247-Y250 PolarHBondContact O-N 3.41Å; E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 3.13Å
248I89.8Confident84.5Confident3 Ų350.7 Ų50.72%0.01527%0.274CS..Hα-helixtrans-62.6-44.5173.4-64.8175.6000110.7L177 H181 M184 L243 G244 H246 K251 Y252L177-I248 HydrophobicContact CB-CG2 4.14Å; L177-I248 HydrophobicContact CD2-CG2 4.25Å; L177-I248 WeakPolarHBondContact O-CG2 3.32Å; H181-I248 HydrophobicContact CB-CG2 4.02Å; M184-I248 HydrophobicContact SD-CD1 3.43Å; M184-I248 WeakPolarHBondContact SD-CD1 3.5Å; L243-I248 HydrophobicContact CD2-CB 4.41Å; L243-I248 HydrophobicContact CD2-CG1 3.49Å; L243-I248 VanDerWaalsContact CD2-CG1 3.49Å; G244-I248 WeakPolarHBondContact O-CG1 3.5Å; G244-I248 PolarHBondContact O-N 2.96Å; H246-I248 VanDerWaalsContact C-N 3.27Å; H246-I248 PolarHBondContact O-N 2.96Å; I248-K251 PolarHBondContact O-N 3.27Å; I248-Y252 WeakPolarHBondContact O-CB 3.43Å; I248-Y252 PolarHBondContact O-N 3.23Å
249M92Very high85.1Confident1 Ų149.9 Ų49.91%0.00527%0.268CS..Hα-helixtrans-63.2-46.7178.8-68.2-172-73.300111.5L140 E141 F144 A245 H246 K251 Y252 I253L140-M249 HydrophobicContact CD1-CB 4.07Å; L140-M249 HydrophobicContact CD2-CE 4.07Å; L140-M249 HydrophobicContact CG-CB 4.34Å; L140-M249 HydrophobicContact CG-CE 4.08Å; L140-M249 HydrophobicContact CG-SD 4.2Å; E141-M249 HydrophobicContact CG-CE 4.16Å; E141-M249 HydrophobicContact CG-SD 4.17Å; F144-M249 HydrophobicContact CB-CB 4.36Å; F144-M249 HydrophobicContact CB-CG 4.01Å; F144-M249 HydrophobicContact CB-SD 3.88Å; F144-M249 HydrophobicContact CD1-CG 3.77Å; F144-M249 HydrophobicContact CD1-SD 3.93Å; F144-M249 HydrophobicContact CD2-CB 4.09Å; F144-M249 HydrophobicContact CD2-CG 3.85Å; F144-M249 HydrophobicContact CE1-CG 4.14Å; F144-M249 HydrophobicContact CE2-CG 4.21Å; F144-M249 HydrophobicContact CG-CB 4.19Å; F144-M249 HydrophobicContact CG-CG 3.6Å; F144-M249 HydrophobicContact CG-SD 3.96Å; F144-M249 HydrophobicContact CZ-CG 4.35Å; A245-M249 WeakPolarHBondContact O-CG 3.41Å; A245-M249 PolarHBondContact O-N 2.91Å; H246-M249 HydrophobicContact CB-CE 4.41Å; H246-M249 VanDerWaalsContact CD2-CE 3.47Å; H246-M249 WeakPolarHBondContact CD2-CE 3.28Å; H246-M249 WeakPolarHBondContact O-CB 3.25Å; H246-M249 PolarHBondContact O-N 3.22Å; H246-M249 VanDerWaalsContact O-N 3.09Å; M249-K251 VanDerWaalsContact C-N 3.35Å; M249-K251 PolarHBondContact O-N 3.44Å; M249-Y252 PolarHBondContact O-N 3.05Å; M249-I253 WeakPolarHBondContact O-CG1 3.27Å; M249-I253 PolarHBondContact O-N 3.17Å
250Y91.1Very high85.6Confident80 Ų8045.8 Ų45.831%0.31425%0.246SC..Hα-helixtrans-59.2-45.8175.5-68.3-52.5000111.8W107 H108 L140 H246 E247 I253 S254W107-Y250 AromaticContact CH2-CD1 3.7Å; W107-Y250 HydrophobicContact CH2-CD1 3.7Å; W107-Y250 AromaticContact CH2-CE1 3.34Å; W107-Y250 HydrophobicContact CH2-CE1 3.34Å; W107-Y250 HydrophobicContact CZ2-CD1 4.31Å; W107-Y250 HydrophobicContact CZ2-CE1 4.35Å; W107-Y250 HydrophobicContact CZ3-CD1 4.21Å; W107-Y250 AromaticContact CZ3-CE1 3.53Å; W107-Y250 HydrophobicContact CZ3-CE1 3.53Å; H108-Y250 HydrophobicContact CB-CD1 3.72Å; H108-Y250 HydrophobicContact CB-CE1 4.27Å; H108-Y250 HydrophobicContact CB-CG 4.46Å; L140-Y250 HydrophobicContact CD2-CD1 4.35Å; L140-Y250 HydrophobicContact CD2-CE1 3.76Å; L140-Y250 HydrophobicContact CD2-CE2 4.45Å; H246-Y250 HydrophobicContact CB-CE2 4.29Å; H246-Y250 WeakPolarHBondContact O-CD2 3.46Å; H246-Y250 PolarHBondContact O-N 3.47Å; E247-Y250 PolarHBondContact O-N 3.41Å; Y250-I253 PolarHBondContact O-N 3.37Å; Y250-S254 VanDerWaalsContact O-CB 3.24Å; Y250-S254 WeakPolarHBondContact O-CB 3.26Å; Y250-S254 PolarHBondContact O-N 3.23Å
251K91.1Very high86Confident109 Ų10944.6 Ų44.647%0.47425%0.251SS..Hα-helixtrans-64.8-41.9180-174.559.9177.2177.10111.7L177 E247 I248 M249 S254 T255L177-K251 HydrophobicContact CD1-CB 4.45Å; L177-K251 HydrophobicContact CD1-CG 3.97Å; L177-K251 HydrophobicContact CD2-CG 4.4Å; E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.45Å; E247-K251 PolarHBondContact O-N 3.13Å; I248-K251 PolarHBondContact O-N 3.27Å; M249-K251 VanDerWaalsContact C-N 3.35Å; M249-K251 PolarHBondContact O-N 3.44Å; K251-S254 PolarHBondContact O-N 2.9Å; K251-T255 WeakPolarHBondContact O-CB 3.07Å; K251-T255 PolarHBondContact O-N 3.14Å; K251-T255 PolarHBondContact O-OG1 2.62Å
252Y93.9Very high86.9Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-61.2-50177.6-173.6-82.3000111.4F144 A147 K148 F151 M174 L177 H178 I248 M249 T255 L256F144-Y252 AromaticContact CD2-CD1 3.96Å; F144-Y252 HydrophobicContact CD2-CD1 3.96Å; F144-Y252 HydrophobicContact CD2-CG 4.14Å; F144-Y252 AromaticContact CE2-CD1 3.74Å; F144-Y252 HydrophobicContact CE2-CD1 3.74Å; F144-Y252 AromaticContact CE2-CD2 3.98Å; F144-Y252 HydrophobicContact CE2-CD2 3.98Å; F144-Y252 HydrophobicContact CE2-CE1 4.41Å; F144-Y252 AromaticContact CE2-CG 3.51Å; F144-Y252 HydrophobicContact CE2-CG 3.51Å; A147-Y252 HydrophobicContact CB-CE1 4.39Å; K148-Y252 HydrophobicContact CG-CE1 3.88Å; K148-Y252 HydrophobicContact CG-CE2 4.3Å; F151-Y252 WeakPolarHBondContact CD1-OH 3.37Å; M174-Y252 HydrophobicContact CB-CE2 4.03Å; M174-Y252 HydrophobicContact CE-CD1 3.61Å; M174-Y252 HydrophobicContact CE-CD2 3.68Å; M174-Y252 HydrophobicContact CE-CE1 3.42Å; M174-Y252 VanDerWaalsContact CE-CE1 3.42Å; M174-Y252 HydrophobicContact CE-CE2 3.51Å; M174-Y252 HydrophobicContact CE-CG 3.72Å; M174-Y252 VanDerWaalsContact CE-O 3.29Å; M174-Y252 WeakPolarHBondContact CE-O 3.44Å; M174-Y252 WeakPolarHBondContact O-CE2 3.36Å; M174-Y252 HydrophobicContact SD-CD2 3.79Å; M174-Y252 HydrophobicContact SD-CE2 4Å; M174-Y252 HydrophobicContact SD-CG 4.07Å; L177-Y252 HydrophobicContact CB-CD2 3.97Å; H178-Y252 HydrophobicContact CB-CE2 4.22Å; I248-Y252 WeakPolarHBondContact O-CB 3.43Å; I248-Y252 PolarHBondContact O-N 3.23Å; M249-Y252 PolarHBondContact O-N 3.05Å; Y252-T255 PolarHBondContact O-N 3.27Å; Y252-L256 WeakPolarHBondContact O-CB 3.38Å; Y252-L256 PolarHBondContact O-N 3.44Å
253I94.1Very high87.9Confident0 Ų039.7 Ų39.70%022%0.219CC..Hα-helixtrans-64.4-43.6-179.8-66166.3000110.5Y103 W107 L140 L143 M249 Y250 T255 L256 E257 F263Y103-I253 VanDerWaalsContact OH-CG2 3.22Å; Y103-I253 WeakPolarHBondContact OH-CG2 3.33Å; W107-I253 HydrophobicContact CZ2-CD1 4.15Å; L140-I253 HydrophobicContact CD1-CD1 3.7Å; L143-I253 HydrophobicContact CD2-CD1 3.85Å; L143-I253 HydrophobicContact CG-CD1 3.96Å; M249-I253 WeakPolarHBondContact O-CG1 3.27Å; M249-I253 PolarHBondContact O-N 3.17Å; Y250-I253 PolarHBondContact O-N 3.37Å; I253-T255 VanDerWaalsContact C-N 3.35Å; I253-T255 PolarHBondContact O-N 2.88Å; I253-L256 WeakPolarHBondContact O-CB 3.38Å; I253-L256 PolarHBondContact O-N 3.47Å; I253-L256 VanDerWaalsContact O-N 3.15Å; I253-E257 WeakPolarHBondContact O-CG 3.38Å; I253-E257 PolarHBondContact O-N 3.37Å; I253-F263 HydrophobicContact CG2-CE1 4.37Å
254S93.1Very high88.7Confident6 Ų638.1 Ų38.14%0.04222%0.215CC..Hα-helixtrans-62-40.2177-178.30000112.7H108 Y250 K251 N258H108-S254 VanDerWaalsContact CE1-CB 3.45Å; H108-S254 WeakPolarHBondContact CE1-CB 3.49Å; H108-S254 PolarHBondContact CE1-OG 2.97Å; Y250-S254 VanDerWaalsContact O-CB 3.24Å; Y250-S254 WeakPolarHBondContact O-CB 3.26Å; Y250-S254 PolarHBondContact O-N 3.23Å; K251-S254 PolarHBondContact O-N 2.9Å; S254-N258 PolarHBondContact O-N 2.59Å; S254-N258 PolarHBondContact O-ND2 3.45Å
255T91.6Very high89.3Confident17 Ų1738.2 Ų38.210%0.10421%0.211CC..Hα-helixtrans-67.1-39.6174.3-62.10000110.9M174 K251 Y252 I253 N258 L259M174-T255 HydrophobicContact CG-CG2 3.96Å; M174-T255 VanDerWaalsContact SD-CB 3.55Å; M174-T255 HydrophobicContact SD-CG2 3.51Å; M174-T255 VanDerWaalsContact SD-CG2 3.51Å; K251-T255 WeakPolarHBondContact O-CB 3.07Å; K251-T255 PolarHBondContact O-N 3.14Å; K251-T255 PolarHBondContact O-OG1 2.62Å; Y252-T255 PolarHBondContact O-N 3.27Å; I253-T255 VanDerWaalsContact C-N 3.35Å; I253-T255 PolarHBondContact O-N 2.88Å; T255-N258 PolarHBondContact O-N 3.37Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 2.79Å
256L91.1Very high89.8Confident2 Ų238.1 Ų38.11%0.0121%0.205CC..Hα-helixtrans-61.9-44.1176.1-175.361.4000112.3A147 F151 M174 Y252 I253 N258 L259 V260 F263A147-L256 HydrophobicContact CB-CD2 3.77Å; F151-L256 HydrophobicContact CB-CD1 4.1Å; F151-L256 HydrophobicContact CD2-CD1 3.62Å; F151-L256 HydrophobicContact CE2-CD1 4.46Å; F151-L256 HydrophobicContact CG-CD1 4.18Å; M174-L256 HydrophobicContact CE-CB 3.76Å; M174-L256 HydrophobicContact CE-CD1 4.33Å; Y252-L256 WeakPolarHBondContact O-CB 3.38Å; Y252-L256 PolarHBondContact O-N 3.44Å; I253-L256 WeakPolarHBondContact O-CB 3.38Å; I253-L256 PolarHBondContact O-N 3.47Å; I253-L256 VanDerWaalsContact O-N 3.15Å; L256-N258 PolarHBondContact O-N 3.5Å; L256-L259 PolarHBondContact O-N 3.29Å; L256-V260 HydrophobicContact CD1-CB 4.39Å; L256-V260 HydrophobicContact CD1-CG2 3.87Å; L256-V260 PolarHBondContact O-N 2.94Å; L256-F263 HydrophobicContact CD2-CD1 4.43Å; L256-F263 HydrophobicContact CD2-CD2 3.8Å; L256-F263 HydrophobicContact CD2-CE1 4.29Å; L256-F263 HydrophobicContact CD2-CE2 3.65Å; L256-F263 HydrophobicContact CD2-CG 4.19Å; L256-F263 HydrophobicContact CD2-CZ 3.91Å; L256-F263 HydrophobicContact CG-CD1 4.47Å; L256-F263 HydrophobicContact CG-CD2 4.24Å; L256-F263 HydrophobicContact CG-CG 4.21Å
257E91.5Very high90.1Very high0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-55.4-40.5175.9-77.2-174.7169.300112.1Y103 R105 N106 H108 I253 F263Y103-E257 HydrophobicContact CE1-CG 4.36Å; Y103-E257 WeakPolarHBondContact CE1-OE1 3.49Å; Y103-E257 VanDerWaalsContact CZ-OE1 3.24Å; Y103-E257 PolarHBondContact OH-OE1 2.99Å; R105-E257 WeakPolarHBondContact CA-OE1 3.3Å; R105-E257 PolarHBondContact NH1-O 3.18Å; R105-E257 VanDerWaalsContact NH1-O 3.17Å; R105-E257 PolarHBondContact NH2-O 3.36Å; N106-E257 PolarHBondContact N-OE1 2.77Å; N106-E257 PolarHBondContact N-OE2 3.47Å; H108-E257 IonicContact CE1-OE2 3.86Å; H108-E257 IonicContact NE2-OE1 3.26Å; H108-E257 IonicContact NE2-OE2 3.05Å; H108-E257 PolarHBondContact NE2-OE2 2.85Å; I253-E257 WeakPolarHBondContact O-CG 3.38Å; I253-E257 PolarHBondContact O-N 3.37Å; E257-F263 HydrophobicContact CG-CD1 4Å; E257-F263 HydrophobicContact CG-CE1 4.42Å
258N88.1Confident90.4Very high88 Ų8833.5 Ų33.547%0.47119%0.188SC..Hα-helixtrans-76.1-35.1179.7-73.1-52.4000112.7S254 T255 L256S254-N258 PolarHBondContact O-N 2.59Å; S254-N258 PolarHBondContact O-ND2 3.45Å; T255-N258 PolarHBondContact O-N 3.37Å; L256-N258 PolarHBondContact O-N 3.5Å
259L86.7Confident90.4Very high33 Ų3335 Ų3517%0.17320%0.198CC..Hα-helixtrans-76.1-35-178.8-169.266.5000112F151 F167 E170 T255 L256F151-L259 HydrophobicContact CE2-CD2 3.63Å; F151-L259 HydrophobicContact CZ-CD2 4.26Å; F167-L259 HydrophobicContact CB-CD1 4.31Å; F167-L259 HydrophobicContact CD2-CD1 3.41Å; F167-L259 VanDerWaalsContact CD2-CD1 3.41Å; F167-L259 HydrophobicContact CD2-CD2 4.07Å; F167-L259 HydrophobicContact CD2-CG 3.68Å; F167-L259 HydrophobicContact CE2-CD1 4.05Å; F167-L259 HydrophobicContact CE2-CD2 3.87Å; F167-L259 HydrophobicContact CE2-CG 3.78Å; F167-L259 HydrophobicContact CG-CD1 4.16Å; E170-L259 HydrophobicContact CB-CD1 3.94Å; E170-L259 HydrophobicContact CG-CD1 4.49Å; T255-L259 WeakPolarHBondContact O-CB 3.37Å; T255-L259 PolarHBondContact O-N 2.79Å; L256-L259 PolarHBondContact O-N 3.29Å
260V86Confident90.3Very high19 Ų1934.9 Ų34.912%0.11520%0.198CC..  trans-125.691-175.5-1740000108.7V155 L256 S262 F263V155-V260 HydrophobicContact CG1-CG2 3.8Å; V155-V260 HydrophobicContact CG2-CG2 3.83Å; L256-V260 HydrophobicContact CD1-CB 4.39Å; L256-V260 HydrophobicContact CD1-CG2 3.87Å; L256-V260 PolarHBondContact O-N 2.94Å; V260-S262 WeakPolarHBondContact CG1-OG 3.48Å; V260-S262 PolarHBondContact O-N 3.27Å; V260-S262 VanDerWaalsContact O-N 3.12Å; V260-F263 HydrophobicContact CB-CB 4.2Å; V260-F263 HydrophobicContact CG1-CB 4.21Å; V260-F263 WeakPolarHBondContact O-CB 3.24Å; V260-F263 PolarHBondContact O-N 2.87Å
261P82.3Confident89.8Confident98 Ų9832.4 Ų32.464%0.63619%0.191SC*.THydrogen-bonded Turntrans-59.7-25.2-178.4-26.635.5000114.2R105 F263R105-P261 PolarHBondContact NH1-O 3.17Å; P261-F263 VanDerWaalsContact C-N 3.29Å
262S84.3Confident89.4Confident76 Ų7632 Ų3253%0.53119%0.187SC..THydrogen-bonded Turntrans-77.3-10.2176.2540000113.9V260 G264 T265V260-S262 WeakPolarHBondContact CG1-OG 3.48Å; V260-S262 PolarHBondContact O-N 3.27Å; V260-S262 VanDerWaalsContact O-N 3.12Å; S262-G264 PolarHBondContact O-N 2.8Å; S262-T265 VanDerWaalsContact C-OG1 3.31Å; S262-T265 VanDerWaalsContact CA-OG1 3.27Å; S262-T265 WeakPolarHBondContact CA-OG1 3.36Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 PolarHBondContact O-OG1 3.28Å
263F88.9Confident89.1Confident14 Ų1432.8 Ų32.86%0.06119%0.191CC..THydrogen-bonded Turntrans-62.9126.4177.5-177.7-103.3000110.5Y103 R105 L143 A147 E150 I253 L256 E257 V260 P261 T265Y103-F263 HydrophobicContact CE1-CD1 4.21Å; Y103-F263 HydrophobicContact CE1-CE1 4.03Å; Y103-F263 HydrophobicContact CE2-CE1 4.01Å; Y103-F263 AromaticContact CZ-CE1 3.66Å; R105-F263 PolarHBondContact NH1-O 2.94Å; L143-F263 HydrophobicContact CD1-CZ 4.41Å; A147-F263 HydrophobicContact CB-CE2 4.38Å; A147-F263 HydrophobicContact CB-CZ 4.17Å; E150-F263 WeakPolarHBondContact OE2-CE2 3.44Å; I253-F263 HydrophobicContact CG2-CE1 4.37Å; L256-F263 HydrophobicContact CD2-CD1 4.43Å; L256-F263 HydrophobicContact CD2-CD2 3.8Å; L256-F263 HydrophobicContact CD2-CE1 4.29Å; L256-F263 HydrophobicContact CD2-CE2 3.65Å; L256-F263 HydrophobicContact CD2-CG 4.19Å; L256-F263 HydrophobicContact CD2-CZ 3.91Å; L256-F263 HydrophobicContact CG-CD1 4.47Å; L256-F263 HydrophobicContact CG-CD2 4.24Å; L256-F263 HydrophobicContact CG-CG 4.21Å; E257-F263 HydrophobicContact CG-CD1 4Å; E257-F263 HydrophobicContact CG-CE1 4.42Å; V260-F263 HydrophobicContact CB-CB 4.2Å; V260-F263 HydrophobicContact CG1-CB 4.21Å; V260-F263 WeakPolarHBondContact O-CB 3.24Å; V260-F263 PolarHBondContact O-N 2.87Å; P261-F263 VanDerWaalsContact C-N 3.29Å; F263-T265 VanDerWaalsContact C-N 3.33Å
264G88Confident88.4Confident21 Ų2135.6 Ų35.622%0.21620%0.204CC..THydrogen-bonded Turntrans75.516.9-174.700000114.8S262S262-G264 PolarHBondContact O-N 2.8Å
265T92.3Very high87.7Confident30 Ų3039 Ų3918%0.18422%0.222CC..EExtended strand (participates in β ladder)trans-125.4142.5174.770.70000110.6S262 F263S262-T265 VanDerWaalsContact C-OG1 3.31Å; S262-T265 VanDerWaalsContact CA-OG1 3.27Å; S262-T265 WeakPolarHBondContact CA-OG1 3.36Å; S262-T265 PolarHBondContact O-N 3.38Å; S262-T265 PolarHBondContact O-OG1 3.28Å; F263-T265 VanDerWaalsContact C-N 3.33Å
266E94.7Very high86.4Confident30 Ų3039.9 Ų39.914%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-110.6136.1171.8-69.2-177.8-132.800108.9W79 R101 F268 M307 V308 L396W79-E266 PolarHBondContact NE1-OE2 3.48Å; R101-E266 VanDerWaalsContact CG-OE1 3.26Å; R101-E266 WeakPolarHBondContact CG-OE1 3.46Å; R101-E266 IonicContact CZ-OE1 3.5Å; R101-E266 IonicContact CZ-OE2 3.35Å; R101-E266 IonicContact NE-OE1 3.36Å; R101-E266 PolarHBondContact NE-OE1 2.87Å; R101-E266 IonicContact NE-OE2 2.66Å; R101-E266 IonicContact NH2-OE1 2.7Å; R101-E266 IonicContact NH2-OE2 3.91Å; R101-E266 PolarHBondContact NH2-OE2 3.09Å; E266-F268 HydrophobicContact CB-CE2 3.81Å; E266-F268 HydrophobicContact CB-CZ 4.17Å; E266-M307 WeakPolarHBondContact O-CA 3.23Å; E266-V308 PolarHBondContact N-O 2.71Å; E266-V308 PolarHBondContact O-N 3.04Å; E266-L396 HydrophobicContact CB-CD2 3.69Å; E266-L396 HydrophobicContact CG-CD2 4.04Å; E266-L396 VanDerWaalsContact OE1-CD1 3.23Å; E266-L396 WeakPolarHBondContact OE1-CD1 3.45Å
267T93.2Very high84.7Confident66 Ų6644 Ų4441%0.40525%0.246SC..EExtended strand (participates in β ladder)trans-123.3133.6178-56.70000109.8E305 I306 W351T267-E305 HydrophobicContact CG2-CB 4.08Å; T267-E305 HydrophobicContact CG2-CG 4.31Å; T267-I306 CarbonylContact C-O 3.52Å; T267-I306 VanDerWaalsContact CA-O 3.25Å; T267-I306 WeakPolarHBondContact CA-O 3.16Å; T267-W351 HydrophobicContact CG2-CH2 4.19Å
268F93.8Very high82.5Confident10 Ų1045.1 Ų45.14%0.04425%0.252CS..EExtended strand (participates in β ladder)trans-118.7123.8-178-60.4-91.8000109.3E266 V270 E305 I306 M384 E389 F393 L396E266-F268 HydrophobicContact CB-CE2 3.81Å; E266-F268 HydrophobicContact CB-CZ 4.17Å; F268-V270 HydrophobicContact CB-CG1 4.43Å; F268-E305 CarbonylContact O-C 3.58Å; F268-E305 VanDerWaalsContact O-CA 3.31Å; F268-E305 WeakPolarHBondContact O-CA 3.38Å; F268-I306 PolarHBondContact N-O 3.18Å; F268-I306 PolarHBondContact O-N 3.1Å; F268-M384 HydrophobicContact CB-CE 4.05Å; F268-M384 HydrophobicContact CD1-CE 3.58Å; F268-M384 HydrophobicContact CE1-CE 4.32Å; F268-M384 HydrophobicContact CG-CE 3.98Å; F268-E389 HydrophobicContact CD1-CG 4.09Å; F268-E389 HydrophobicContact CE1-CG 4.42Å; F268-F393 HydrophobicContact CD1-CB 4.23Å; F268-F393 HydrophobicContact CD1-CD2 4.43Å; F268-F393 AromaticContact CD2-CD2 3.63Å; F268-F393 HydrophobicContact CD2-CD2 3.63Å; F268-F393 HydrophobicContact CD2-CE2 4.1Å; F268-F393 HydrophobicContact CE1-CB 3.89Å; F268-F393 HydrophobicContact CE1-CD2 4.35Å; F268-F393 AromaticContact CE2-CD2 3.57Å; F268-F393 HydrophobicContact CE2-CD2 3.57Å; F268-F393 HydrophobicContact CE2-CE2 4.29Å; F268-F393 HydrophobicContact CG-CD2 4.09Å; F268-F393 HydrophobicContact CZ-CB 4.07Å; F268-F393 AromaticContact CZ-CD2 3.95Å; F268-F393 HydrophobicContact CZ-CD2 3.95Å; F268-L396 HydrophobicContact CE2-CD2 3.98Å; F268-L396 HydrophobicContact CZ-CD2 4.26Å
269S90.8Very high80.2Confident34 Ų3442.9 Ų42.924%0.23825%0.25CC..EExtended strand (participates in β ladder)trans-90.6123.4174.4-52.70000109.3F302 N385S269-F302 WeakPolarHBondContact O-CE1 3.37Å; S269-N385 PolarHBondContact O-ND2 2.65Å
270V89.3Confident78Confident0 Ų046.1 Ų46.10%027%0.267CS..EExtended strand (participates in β ladder)trans-123.5146.3-169.6-57.10000111.4F268 L273 T303 H304 I306 V382 M384F268-V270 HydrophobicContact CB-CG1 4.43Å; V270-L273 HydrophobicContact CG2-CB 4.23Å; V270-T303 PolarHBondContact O-N 3.49Å; V270-H304 HydrophobicContact CG2-CB 3.71Å; V270-H304 PolarHBondContact N-O 3.29Å; V270-H304 PolarHBondContact O-N 3.48Å; V270-I306 HydrophobicContact CG1-CD1 4.11Å; V270-I306 HydrophobicContact CG2-CD1 4.33Å; V270-I306 HydrophobicContact CG2-CG1 4.38Å; V270-V382 HydrophobicContact CB-CG1 3.9Å; V270-V382 HydrophobicContact CG1-CG1 3.53Å; V270-V382 HydrophobicContact CG2-CG1 4.17Å; V270-M384 HydrophobicContact CG1-SD 3.84Å
271T82.1Confident75.9Confident28 Ų2847.3 Ų47.317%0.17227%0.272CS..SBendtrans-79.4-35.1-176.950.30000111.7A300 T303 Q383T271-A300 HydrophobicContact CG2-CB 4.49Å; T271-T303 VanDerWaalsContact C-OG1 3.3Å; T271-T303 VanDerWaalsContact O-CG2 3.23Å; T271-T303 WeakPolarHBondContact O-CG2 3.46Å; T271-T303 PolarHBondContact O-OG1 3.35Å; T271-Q383 PolarHBondContact OG1-O 3.3Å; T271-Q383 PolarHBondContact OG1-OE1 3.16Å
272R81.3Confident73.9Confident99 Ų9943.8 Ų43.837%0.37425%0.249SC..EExtended strand (participates in β ladder)trans-143.3133.7179.4-174.5174.2171.4-175.4-10.7109.7Q274 Q383R272-Q274 HydrophobicContact CG-CG 4.44Å; R272-Q274 VanDerWaalsContact NH2-CD 3.29Å; R272-Q383 HydrophobicContact CB-CB 4.18Å; R272-Q383 PolarHBondContact O-N 3.18Å
273L87.3Confident71.7Confident18 Ų1842.5 Ų42.59%0.09424%0.236CC..EExtended strand (participates in β ladder)trans-133.9127.8172.1-174.9157.5000107.8V270 L275 H304 I306 F316 M380 E381V270-L273 HydrophobicContact CG2-CB 4.23Å; L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.09Å; L273-H304 HydrophobicContact CB-CB 4.1Å; L273-H304 HydrophobicContact CD1-CB 4.25Å; L273-I306 HydrophobicContact CD1-CD1 3.86Å; L273-I306 HydrophobicContact CD1-CG1 3.79Å; L273-F316 HydrophobicContact CD1-CB 3.93Å; L273-F316 HydrophobicContact CD1-CD2 4.18Å; L273-F316 HydrophobicContact CD1-CG 4.17Å; L273-F316 HydrophobicContact CD2-CD2 4.21Å; L273-F316 HydrophobicContact CD2-CE2 4.4Å; L273-M380 HydrophobicContact CD1-CE 4.38Å; L273-M380 HydrophobicContact CD1-SD 4.3Å; L273-M380 HydrophobicContact CG-CG 4.35Å; L273-E381 WeakPolarHBondContact CA-O 3.47Å
274Q80.9Confident69.1Low58 Ų5842.8 Ų42.827%0.27124%0.24SC..EExtended strand (participates in β ladder)trans-128.2142.5175.5-69.6-176.4-23.600110.3R272 M380 E381R272-Q274 HydrophobicContact CG-CG 4.44Å; R272-Q274 VanDerWaalsContact NH2-CD 3.29Å; Q274-M380 WeakPolarHBondContact O-CA 3.31Å; Q274-E381 HydrophobicContact CB-CB 4.46Å; Q274-E381 PolarHBondContact N-O 3.09Å; Q274-E381 PolarHBondContact O-N 3.05Å
275L77.3Confident66.8Low79 Ų7944.1 Ų44.141%0.41424%0.238SC..EExtended strand (participates in β ladder)trans-114.8126.5173.9-62.9175.4000107.8L273 F316 F354 C379 M380L273-L275 HydrophobicContact CD2-CD2 4.27Å; L273-L275 HydrophobicContact CD2-CG 4.09Å; L275-F316 HydrophobicContact CD1-CE1 3.97Å; L275-F316 HydrophobicContact CD1-CE2 4.29Å; L275-F316 HydrophobicContact CD1-CZ 3.55Å; L275-F354 HydrophobicContact CD2-CD2 3.9Å; L275-F354 HydrophobicContact CD2-CE2 3.83Å; L275-C379 WeakPolarHBondContact CA-O 3.47Å; L275-M380 HydrophobicContact CD2-CB 3.82Å; L275-M380 HydrophobicContact CD2-CE 3.95Å; L275-M380 HydrophobicContact CD2-CG 3.99Å
276T65.6Low63.9Low35 Ų3545.8 Ų45.822%0.21525%0.251CS..EExtended strand (participates in β ladder)trans-122141.4-179.748.70000110.3H378 C379T276-H378 WeakPolarHBondContact O-CA 3.49Å; T276-C379 PolarHBondContact N-O 3.47Å; T276-C379 PolarHBondContact O-N 3.19Å
277E55.4Low60.8Low87 Ų8751.4 Ų51.441%0.40728%0.281SS..EExtended strand (participates in β ladder)trans-106.9153.6170.7-62.6-165.5152.400109.7G279 D280 H378E277-G279 PolarHBondContact O-N 3.04Å; E277-D280 PolarHBondContact O-N 2.66Å; E277-H378 IonicContact OE1-CD2 3.75Å; E277-H378 IonicContact OE1-CE1 2.86Å; E277-H378 IonicContact OE1-NE2 3.16Å; E277-H378 PolarHBondContact OE1-NE2 3.02Å
278D43.9Very low57.8Low25 Ų2554.9 Ų54.913%0.13430%0.297CS..THydrogen-bonded Turntrans-66.835.1-169.9-132.75000116.8E281 S377 H641 R692D278-E281 VanDerWaalsContact OD1-CD 3.31Å; D278-E281 WeakPolarHBondContact OD1-CG 3.37Å; D278-S377 VanDerWaalsContact CG-CB 3.4Å; D278-S377 PolarHBondContact N-O 2.99Å; D278-S377 WeakPolarHBondContact OD2-CB 3.41Å; D278-S377 PolarHBondContact OD2-OG 3.34Å; D278-H641 IonicContact OD2-NE2 3.81Å; D278-R692 VanDerWaalsContact CG-NH1 3.33Å; D278-R692 IonicContact OD1-CZ 3.13Å; D278-R692 IonicContact OD1-NH1 2.71Å; D278-R692 PolarHBondContact OD1-NH1 3.13Å; D278-R692 IonicContact OD2-NH1 3.29Å; D278-R692 PolarHBondContact OD2-NH1 3.11Å
279G40.8Very low54.7Low41 Ų4163.6 Ų63.642%0.42334%0.337SS..THydrogen-bonded Turntrans-119-22.2169.100000113.8E277E277-G279 PolarHBondContact O-N 3.04Å
280D39.6Very low51.9Low101 Ų10167.5 Ų67.554%0.5437%0.365SS..SBendtrans-111.649.7-179.3-82.5-21.9000110.9E277 S282E277-D280 PolarHBondContact O-N 2.66Å; D280-S282 VanDerWaalsContact C-N 3.27Å; D280-S282 PolarHBondContact O-N 2.87Å
281E43.2Very low48.9Very low44 Ų4475 Ų7521%0.20641%0.405CS..  trans-68.680-179-66.4-156.8108.900112.7D278 Q689 R692D278-E281 VanDerWaalsContact OD1-CD 3.31Å; D278-E281 WeakPolarHBondContact OD1-CG 3.37Å; E281-Q689 PolarHBondContact OE2-NE2 2.91Å; E281-R692 IonicContact OE1-CZ 2.64Å; E281-R692 IonicContact OE1-NH1 2.62Å; E281-R692 PolarHBondContact OE1-NH1 2.83Å; E281-R692 IonicContact OE1-NH2 3.07Å; E281-R692 PolarHBondContact OE1-NH2 3.24Å
282S40.1Very low46.4Very low23 Ų2376.5 Ų76.516%0.16143%0.426CS..  trans-118115.8153.361.20000107.3D280 S284 T852D280-S282 VanDerWaalsContact C-N 3.27Å; D280-S282 PolarHBondContact O-N 2.87Å; S282-S284 PolarHBondContact O-N 2.98Å; S282-T852 PolarHBondContact OG-OG1 2.78Å
283I37Very low43.9Very low50 Ų5079 Ų7926%0.25645%0.447SS..  trans-78.1103168.1-52.8172000106Y285 P849I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 HydrophobicContact CB-CD2 4.14Å; I283-Y285 HydrophobicContact CB-CE2 3.71Å; I283-Y285 HydrophobicContact CD1-CE2 4.41Å; I283-Y285 HydrophobicContact CG2-CD1 4.47Å; I283-Y285 HydrophobicContact CG2-CD2 3.71Å; I283-Y285 HydrophobicContact CG2-CE1 3.98Å; I283-Y285 HydrophobicContact CG2-CE2 3.16Å; I283-Y285 HydrophobicContact CG2-CG 4.36Å; I283-Y285 PolarHBondContact O-N 3.11Å; I283-P849 HydrophobicContact CB-CG 3.7Å; I283-P849 HydrophobicContact CG1-CG 4.18Å; I283-P849 WeakPolarHBondContact O-CG 3.38Å
284S35.3Very low41.4Very low20 Ų2082.8 Ų82.814%0.1448%0.475CS..  trans-75.283.4-174.869.80000111.3S282 S286 E381 D851S282-S284 PolarHBondContact O-N 2.98Å; S284-S286 PolarHBondContact O-N 3.22Å; S284-E381 PolarHBondContact OG-OE2 3.34Å; S284-E381 VanDerWaalsContact OG-OE2 3.09Å; S284-D851 VanDerWaalsContact CB-OD1 3.31Å; S284-D851 WeakPolarHBondContact CB-OD1 3.23Å
285Y38.1Very low39Very low49 Ų4990.1 Ų90.119%0.19251%0.506CS..  trans-84.894.6168.5-61.2-74.4000108.6I283 I287 T366 S848I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 HydrophobicContact CB-CD2 4.14Å; I283-Y285 HydrophobicContact CB-CE2 3.71Å; I283-Y285 HydrophobicContact CD1-CE2 4.41Å; I283-Y285 HydrophobicContact CG2-CD1 4.47Å; I283-Y285 HydrophobicContact CG2-CD2 3.71Å; I283-Y285 HydrophobicContact CG2-CE1 3.98Å; I283-Y285 HydrophobicContact CG2-CE2 3.16Å; I283-Y285 HydrophobicContact CG2-CG 4.36Å; I283-Y285 PolarHBondContact O-N 3.11Å; Y285-I287 PolarHBondContact O-N 3.46Å; Y285-I287 VanDerWaalsContact O-N 3.09Å; Y285-T366 WeakPolarHBondContact CE1-OG1 3.19Å; Y285-S848 WeakPolarHBondContact CB-OG 3.41Å; Y285-S848 VanDerWaalsContact CD2-OG 3.27Å; Y285-S848 WeakPolarHBondContact CD2-OG 3.47Å
286S31.9Very low36.8Very low64 Ų6496.9 Ų96.945%0.44853%0.532SS..  trans-66.6111174.7-40000109.2S284S284-S286 PolarHBondContact O-N 3.22Å
287I29.3Very low35.3Very low149 Ų14998.6 Ų98.676%0.76456%0.556SS**  trans-79.5134.1164.7-65.3175.1000107.6Y285 E289Y285-I287 PolarHBondContact O-N 3.46Å; Y285-I287 VanDerWaalsContact O-N 3.09Å; I287-E289 PolarHBondContact O-N 3.49Å
288N31.4Very low34.2Very low138 Ų138104.6 Ų104.674%0.73858%0.581SS**  trans-43.5116.3175.8-64.6-48000112.3S290N288-S290 VanDerWaalsContact C-N 3.29Å; N288-S290 PolarHBondContact O-N 3.04Å
289E28Very low34.2Very low193 Ų193111.7 Ų111.790%0.90261%0.606SS**  trans-64.6101.2149.2-81.7-171.3158.700106.6I287 D291I287-E289 PolarHBondContact O-N 3.49Å; E289-D291 PolarHBondContact O-N 2.71Å
290S31.6Very low35Very low116 Ų116112.8 Ų112.881%0.81161%0.611SS**  trans-66.983.6162.155.20000108.1N288N288-S290 VanDerWaalsContact C-N 3.29Å; N288-S290 PolarHBondContact O-N 3.04Å
291D27.8Very low36.5Very low158 Ų158112.1 Ų112.185%0.84561%0.613SS**  trans-79.6117.9156.3-148.98.5000107.2E289E289-D291 PolarHBondContact O-N 2.71Å
292G27.9Very low38.1Very low60 Ų60114 Ų11462%0.61962%0.62SS**  trans-61142.1179.100000110.5
293D28.6Very low40.2Very low152 Ų152115.2 Ų115.281%0.81363%0.627SS**SBendtrans86100.2152.6-132.25.5000118.2
294S36.4Very low42.7Very low96 Ų96114.4 Ų114.467%0.67162%0.622SS**  trans6295.614371.80000119.2
295K30Very low45.4Very low212 Ų212115 Ų11592%0.92262%0.622SS**  trans-168.7110.4134.4-103.8160.5-165.8179.20111.8G297K295-G297 PolarHBondContact O-N 2.88Å
296K31.4Very low48.1Very low221 Ų221112.6 Ų112.696%0.96161%0.613SS**  trans-60.6128.1162.6-81.2176.8172.9176.20109.3
297G33Very low51.1Low71 Ų71110.7 Ų110.773%0.73260%0.597SS**  trans113.536.4146.400000119.7K295K295-G297 PolarHBondContact O-N 2.88Å
298F32.5Very low54.3Low213 Ų213103.6 Ų103.693%0.93456%0.561SS**  trans-124103163-116.5-98000110.8
299R45.3Very low57.3Low174 Ų17497.2 Ų97.266%0.65753%0.527SS*.PPolyproline II helixtrans-77.4131166.8-103.8-178.5177.5-179.1-3.2107.9
300A56.8Low60.3Low64 Ų6488 Ų8853%0.52949%0.485SS..PPolyproline II helixtrans-56.3143.3169.900000110.2T271T271-A300 HydrophobicContact CG2-CB 4.49Å
301P71.2Confident63Low87 Ų8783.2 Ų83.257%0.56545%0.45SS*.PPolyproline II helixtrans-65.9145.6-179.227.1-33.7000111.3T303 T321P301-T303 PolarHBondContact O-N 3.42Å; P301-T321 HydrophobicContact CB-CG2 4.44Å
302F77.1Confident65.8Low83 Ų8381.2 Ų81.236%0.36443%0.434SS..PPolyproline II helixtrans-63.4131.5173.6-61.7-65.9000110.6S269 L319 N385S269-F302 WeakPolarHBondContact O-CE1 3.37Å; F302-L319 HydrophobicContact CB-CD1 3.91Å; F302-N385 VanDerWaalsContact CE1-OD1 3.25Å; F302-N385 WeakPolarHBondContact CE1-OD1 3.41Å
303T83.4Confident68.9Low49 Ų4978.4 Ų78.430%0.30141%0.405SS..  trans-105.4-30.1-179.559.80000112.1V270 T271 P301 L319V270-T303 PolarHBondContact O-N 3.49Å; T271-T303 VanDerWaalsContact C-OG1 3.3Å; T271-T303 VanDerWaalsContact O-CG2 3.23Å; T271-T303 WeakPolarHBondContact O-CG2 3.46Å; T271-T303 PolarHBondContact O-OG1 3.35Å; P301-T303 PolarHBondContact O-N 3.42Å; T303-L319 PolarHBondContact O-N 3.03Å
304H89Confident72Confident33 Ų3371.1 Ų71.115%0.15337%0.366CS..EExtended strand (participates in β ladder)trans-140161.1-174.9-62.980.8000112.3V270 L273 R317 T318V270-H304 HydrophobicContact CG2-CB 3.71Å; V270-H304 PolarHBondContact N-O 3.29Å; V270-H304 PolarHBondContact O-N 3.48Å; L273-H304 HydrophobicContact CB-CB 4.1Å; L273-H304 HydrophobicContact CD1-CB 4.25Å; H304-R317 CarbonylContact C-O 3.51Å; H304-R317 VanDerWaalsContact CA-O 3.24Å; H304-R317 WeakPolarHBondContact CA-O 3.42Å; H304-R317 WeakPolarHBondContact CB-O 3.44Å; H304-T318 PolarHBondContact CD2-OG1 3.31Å; H304-T318 VanDerWaalsContact CD2-OG1 3.26Å; H304-T318 PolarHBondContact NE2-OG1 3.45Å; H304-T318 VanDerWaalsContact NE2-OG1 3.08Å
305E92.8Very high74.6Confident32 Ų3268 Ų6815%0.1534%0.34CS..EExtended strand (participates in β ladder)trans-124.3139.3166.5-74.9179.7155.800110.6T267 F268 F316 R317 L319 W351T267-E305 HydrophobicContact CG2-CB 4.08Å; T267-E305 HydrophobicContact CG2-CG 4.31Å; F268-E305 CarbonylContact O-C 3.58Å; F268-E305 VanDerWaalsContact O-CA 3.31Å; F268-E305 WeakPolarHBondContact O-CA 3.38Å; E305-F316 CarbonylContact O-C 3.58Å; E305-F316 WeakPolarHBondContact O-CA 3.39Å; E305-R317 HydrophobicContact CB-CG 4.08Å; E305-R317 PolarHBondContact N-O 2.94Å; E305-R317 PolarHBondContact O-N 2.86Å; E305-R317 IonicContact OE2-CZ 3.07Å; E305-R317 IonicContact OE2-NE 2.92Å; E305-R317 PolarHBondContact OE2-NE 3.17Å; E305-R317 IonicContact OE2-NH2 3.91Å; E305-R317 PolarHBondContact OE2-NH2 3.44Å; E305-L319 HydrophobicContact CG-CD1 4.02Å; E305-L319 HydrophobicContact CG-CD2 3.99Å; E305-L319 HydrophobicContact CG-CG 4.2Å; E305-W351 HydrophobicContact CB-CH2 4.16Å; E305-W351 HydrophobicContact CB-CZ3 4.47Å
306I94.4Very high77.6Confident0 Ų058.9 Ų58.90%030%0.301CS..EExtended strand (participates in β ladder)trans-113.8125.2175.3-55.5175.5000108.1T267 F268 V270 L273 V308 I314 Q315 F316 M380 V382 F393T267-I306 CarbonylContact C-O 3.52Å; T267-I306 VanDerWaalsContact CA-O 3.25Å; T267-I306 WeakPolarHBondContact CA-O 3.16Å; F268-I306 PolarHBondContact N-O 3.18Å; F268-I306 PolarHBondContact O-N 3.1Å; V270-I306 HydrophobicContact CG1-CD1 4.11Å; V270-I306 HydrophobicContact CG2-CD1 4.33Å; V270-I306 HydrophobicContact CG2-CG1 4.38Å; L273-I306 HydrophobicContact CD1-CD1 3.86Å; L273-I306 HydrophobicContact CD1-CG1 3.79Å; I306-V308 HydrophobicContact CG2-CG2 4.44Å; I306-I314 HydrophobicContact CG2-CG2 3.96Å; I306-Q315 CarbonylContact C-O 3.57Å; I306-Q315 WeakPolarHBondContact CA-O 3.4Å; I306-F316 HydrophobicContact CG1-CB 4.36Å; I306-M380 HydrophobicContact CD1-SD 4.21Å; I306-V382 HydrophobicContact CD1-CB 4.29Å; I306-V382 HydrophobicContact CD1-CG1 3.61Å; I306-V382 HydrophobicContact CD1-CG2 3.64Å; I306-F393 HydrophobicContact CD1-CZ 4.37Å; I306-F393 HydrophobicContact CG2-CE2 4.06Å; I306-F393 HydrophobicContact CG2-CZ 4.18Å
307M95.1Very high80.4Confident23 Ų2351.4 Ų51.411%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-109.2134.4173.8177.5-178.163.200109.9E266 Q315 W351E266-M307 WeakPolarHBondContact O-CA 3.23Å; M307-Q315 HydrophobicContact CE-CB 4.15Å; M307-Q315 HydrophobicContact CE-CG 4.3Å; M307-Q315 PolarHBondContact N-O 3.38Å; M307-Q315 PolarHBondContact O-N 2.74Å; M307-W351 HydrophobicContact CB-CE3 3.99Å; M307-W351 HydrophobicContact CB-CH2 3.45Å; M307-W351 VanDerWaalsContact CB-CH2 3.45Å; M307-W351 HydrophobicContact CB-CZ2 4.06Å; M307-W351 HydrophobicContact CB-CZ3 3.39Å; M307-W351 HydrophobicContact CE-CD2 3.94Å; M307-W351 HydrophobicContact CE-CE3 4.23Å; M307-W351 HydrophobicContact CE-CG 4.27Å; M307-W351 HydrophobicContact CG-CH2 4.47Å; M307-W351 HydrophobicContact SD-CZ2 4.2Å
308V96.4Very high82.9Confident0 Ų051.2 Ų51.20%025%0.251CS..EExtended strand (participates in β ladder)trans-120.4130.9175.4-177.20000109.3E266 I306 F357 F393 L396 L397 Y400E266-V308 PolarHBondContact N-O 2.71Å; E266-V308 PolarHBondContact O-N 3.04Å; I306-V308 HydrophobicContact CG2-CG2 4.44Å; V308-F357 HydrophobicContact CG1-CE1 3.83Å; V308-F357 HydrophobicContact CG1-CZ 3.88Å; V308-F393 HydrophobicContact CG2-CD2 4.44Å; V308-F393 HydrophobicContact CG2-CE2 3.79Å; V308-L396 HydrophobicContact CB-CD2 3.65Å; V308-L396 HydrophobicContact CB-CG 4.49Å; V308-L396 HydrophobicContact CG1-CD2 3.7Å; V308-L396 HydrophobicContact CG1-CG 4Å; V308-L396 HydrophobicContact CG2-CD2 4.17Å; V308-L397 HydrophobicContact CG1-CD2 3.88Å; V308-L397 HydrophobicContact CG2-CD2 3.87Å; V308-Y400 HydrophobicContact CG1-CD2 3.97Å; V308-Y400 HydrophobicContact CG1-CE2 4.03Å
309S94.1Very high85.3Confident4 Ų443.1 Ų43.13%0.02822%0.218CC..EExtended strand (participates in β ladder)trans-143.7145.8174.269.90000111.8T311 K312 G313 F357S309-T311 PolarHBondContact O-N 2.97Å; S309-T311 VanDerWaalsContact O-N 3.14Å; S309-K312 PolarHBondContact O-N 3.1Å; S309-K312 VanDerWaalsContact OG-CB 3.27Å; S309-K312 WeakPolarHBondContact OG-CB 3.44Å; S309-K312 PolarHBondContact OG-N 3.39Å; S309-G313 PolarHBondContact N-O 2.98Å; S309-G313 PolarHBondContact O-N 2.9Å; S309-F357 WeakPolarHBondContact O-CE2 3.13Å; S309-F357 WeakPolarHBondContact O-CZ 3.29Å
310G91Very high86.4Confident1 Ų141.2 Ų41.21%0.0121%0.214CC..THydrogen-bonded Turntrans-59.8-27.7-177.700000114.5F104 R542F104-G310 WeakPolarHBondContact CE1-O 3.39Å; G310-R542 WeakPolarHBondContact O-CD 3.42Å
311T89.3Confident85.9Confident15 Ų1543 Ų439%0.09222%0.219CC..THydrogen-bonded Turntrans-97-22.7-177.854.60000114.5F104 V117 S309 I545F104-T311 HydrophobicContact CB-CG2 4.35Å; F104-T311 HydrophobicContact CD1-CG2 4.38Å; V117-T311 HydrophobicContact CG2-CG2 4.11Å; S309-T311 PolarHBondContact O-N 2.97Å; S309-T311 VanDerWaalsContact O-N 3.14Å; T311-I545 WeakPolarHBondContact O-CD1 3.44Å
312K86.6Confident84.2Confident116 Ų11647.8 Ų47.850%0.50423%0.234SC..THydrogen-bonded Turntrans-115.2-3.3-176.3-52.8176.1178.5171.20114.7S309 F353S309-K312 PolarHBondContact O-N 3.1Å; S309-K312 VanDerWaalsContact OG-CB 3.27Å; S309-K312 WeakPolarHBondContact OG-CB 3.44Å; S309-K312 PolarHBondContact OG-N 3.39Å; K312-F353 WeakPolarHBondContact O-CE2 3.2Å
313G91.9Very high82Confident0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans73.9-142.4-179.100000112.3S309S309-G313 PolarHBondContact N-O 2.98Å; S309-G313 PolarHBondContact O-N 2.9Å
314I94.4Very high79.4Confident0 Ų055.1 Ų55.10%028%0.278CS..EExtended strand (participates in β ladder)trans-99.9126.4-178.2-51.4178.7000109.8I306 F354 C355 F357 I360 I372 M380 L397I306-I314 HydrophobicContact CG2-CG2 3.96Å; I314-F354 HydrophobicContact CB-CB 4.41Å; I314-F354 HydrophobicContact CB-CD1 4.29Å; I314-F354 HydrophobicContact CD1-CD1 4.37Å; I314-F354 HydrophobicContact CG2-CB 4.31Å; I314-F354 HydrophobicContact CG2-CD1 4.16Å; I314-F354 PolarHBondContact O-N 3.36Å; I314-C355 PolarHBondContact N-O 3.06Å; I314-F357 HydrophobicContact CG1-CE1 4.44Å; I314-I360 HydrophobicContact CD1-CD1 3.94Å; I314-I372 HydrophobicContact CD1-CD1 4.17Å; I314-M380 HydrophobicContact CG2-CE 4.49Å; I314-L397 HydrophobicContact CD1-CD1 4.04Å; I314-L397 HydrophobicContact CD1-CD2 3.61Å; I314-L397 HydrophobicContact CD1-CG 4.46Å; I314-L397 HydrophobicContact CG1-CD2 3.81Å
315Q91.9Very high76.5Confident29 Ų2962.9 Ų62.914%0.13631%0.314CS..EExtended strand (participates in β ladder)trans-130.1151.5176-53.1-170.9-93.400110.4I306 M307 W351 T352I306-Q315 CarbonylContact C-O 3.57Å; I306-Q315 WeakPolarHBondContact CA-O 3.4Å; M307-Q315 HydrophobicContact CE-CB 4.15Å; M307-Q315 HydrophobicContact CE-CG 4.3Å; M307-Q315 PolarHBondContact N-O 3.38Å; M307-Q315 PolarHBondContact O-N 2.74Å; Q315-W351 HydrophobicContact CB-CE3 4.07Å; Q315-T352 CarbonylContact C-O 3.51Å; Q315-T352 WeakPolarHBondContact CA-O 3.46Å; Q315-T352 WeakPolarHBondContact CB-O 3.46Å
316F92.1Very high73.4Confident22 Ų2270.3 Ų70.310%0.09635%0.349CS..EExtended strand (participates in β ladder)trans-138.9158.6177.372.6-80.7000112.3L273 L275 E305 I306 T352 F354 M380L273-F316 HydrophobicContact CD1-CB 3.93Å; L273-F316 HydrophobicContact CD1-CD2 4.18Å; L273-F316 HydrophobicContact CD1-CG 4.17Å; L273-F316 HydrophobicContact CD2-CD2 4.21Å; L273-F316 HydrophobicContact CD2-CE2 4.4Å; L275-F316 HydrophobicContact CD1-CE1 3.97Å; L275-F316 HydrophobicContact CD1-CE2 4.29Å; L275-F316 HydrophobicContact CD1-CZ 3.55Å; E305-F316 CarbonylContact O-C 3.58Å; E305-F316 WeakPolarHBondContact O-CA 3.39Å; I306-F316 HydrophobicContact CG1-CB 4.36Å; F316-T352 HydrophobicContact CE1-CG2 3.73Å; F316-T352 HydrophobicContact CZ-CG2 3.75Å; F316-T352 PolarHBondContact N-O 3.03Å; F316-T352 PolarHBondContact O-N 3.02Å; F316-F354 HydrophobicContact CD1-CB 4.21Å; F316-F354 HydrophobicContact CE1-CB 4.41Å; F316-M380 HydrophobicContact CD1-CE 3.88Å; F316-M380 HydrophobicContact CE1-CE 4.48Å; F316-M380 HydrophobicContact CG-CE 4.36Å
317R90.1Very high70.2Confident63 Ų6377.9 Ų77.924%0.23839%0.39CS..EExtended strand (participates in β ladder)trans-146.3155.8173.466.5179.2-179178.8-1.2111.6H304 E305 K350 W351H304-R317 CarbonylContact C-O 3.51Å; H304-R317 VanDerWaalsContact CA-O 3.24Å; H304-R317 WeakPolarHBondContact CA-O 3.42Å; H304-R317 WeakPolarHBondContact CB-O 3.44Å; E305-R317 HydrophobicContact CB-CG 4.08Å; E305-R317 PolarHBondContact N-O 2.94Å; E305-R317 PolarHBondContact O-N 2.86Å; E305-R317 IonicContact OE2-CZ 3.07Å; E305-R317 IonicContact OE2-NE 2.92Å; E305-R317 PolarHBondContact OE2-NE 3.17Å; E305-R317 IonicContact OE2-NH2 3.91Å; E305-R317 PolarHBondContact OE2-NH2 3.44Å; R317-K350 WeakPolarHBondContact CB-O 3.38Å; R317-W351 HydrophobicContact CB-CE3 4.17Å; R317-W351 HydrophobicContact CB-CZ3 4.44Å; R317-W351 HydrophobicContact CG-CD2 4.37Å; R317-W351 HydrophobicContact CG-CE3 4.03Å; R317-W351 HydrophobicContact CG-CH2 4.07Å; R317-W351 HydrophobicContact CG-CZ2 4.44Å; R317-W351 HydrophobicContact CG-CZ3 3.86Å
318T86Confident67.2Low67 Ų6781.5 Ų81.541%0.41142%0.417SS..EExtended strand (participates in β ladder)trans-94.2136.3176.2-49.80000110.5H304H304-T318 PolarHBondContact CD2-OG1 3.31Å; H304-T318 VanDerWaalsContact CD2-OG1 3.26Å; H304-T318 PolarHBondContact NE2-OG1 3.45Å; H304-T318 VanDerWaalsContact NE2-OG1 3.08Å
319L82.3Confident63.9Low43 Ų4391.3 Ų91.323%0.22546%0.456CS..PPolyproline II helixtrans-90.9145.7179-62.7178.9000111.6F302 T303 E305F302-L319 HydrophobicContact CB-CD1 3.91Å; T303-L319 PolarHBondContact O-N 3.03Å; E305-L319 HydrophobicContact CG-CD1 4.02Å; E305-L319 HydrophobicContact CG-CD2 3.99Å; E305-L319 HydrophobicContact CG-CG 4.2Å
320K68.5Low60.8Low134 Ų13499.4 Ų99.458%0.58349%0.492SS*.PPolyproline II helixtrans-78.1120.9167.1-69.7176.9-175.8156.20109.5Q322 P348 D349K320-Q322 PolarHBondContact O-N 2.86Å; K320-Q322 VanDerWaalsContact O-N 3.09Å; K320-P348 HydrophobicContact CD-CB 4.19Å; K320-P348 HydrophobicContact CD-CG 4.14Å; K320-P348 VanDerWaalsContact CE-CB 3.45Å; K320-P348 HydrophobicContact CG-CB 3.66Å; K320-P348 HydrophobicContact CG-CG 4.01Å; K320-D349 IonicContact NZ-OD2 2.96Å
321T45.4Very low57.6Low103 Ų103111.2 Ų111.263%0.63254%0.537SS*.  trans-63.6110.5168.4-29.20000108.8P301 K323P301-T321 HydrophobicContact CB-CG2 4.44Å; T321-K323 PolarHBondContact O-N 3.33Å; T321-K323 VanDerWaalsContact O-N 3.08Å
322Q36.1Very low54.6Low187 Ų187114.1 Ų114.187%0.87457%0.57SS**  trans-64.1109.8164.8-79.9-177.7-10.100107K320 A324K320-Q322 PolarHBondContact O-N 2.86Å; K320-Q322 VanDerWaalsContact O-N 3.09Å; Q322-A324 PolarHBondContact O-N 3.18Å
323K30.9Very low51.6Low196 Ų196114.3 Ų114.385%0.85259%0.586SS**  trans-57.1122.3165.3-80.1-175.2174-175.80106.9T321 E325T321-K323 PolarHBondContact O-N 3.33Å; T321-K323 VanDerWaalsContact O-N 3.08Å; K323-E325 PolarHBondContact O-N 2.88Å
324A28.8Very low48.6Very low89 Ų89125.3 Ų125.374%0.73663%0.629SS**  trans-51.8132.5167.100000108.6Q322 E326Q322-A324 PolarHBondContact O-N 3.18Å; A324-E326 PolarHBondContact O-N 3.25Å
325E28.8Very low45.4Very low196 Ų196131.7 Ų131.792%0.91667%0.668SS**  trans-61.998170.1-70.4178.3154.400108.3K323K323-E325 PolarHBondContact O-N 2.88Å
326E27.3Very low42.4Very low188 Ų188138.2 Ų138.288%0.87970%0.703SS**  trans-75.8122.6166.9-87-176.416200109.3A324 S328A324-E326 PolarHBondContact O-N 3.25Å; E326-S328 PolarHBondContact O-N 2.93Å
327N27.6Very low39.2Very low160 Ų160145.6 Ų145.686%0.85674%0.738SS**  trans-45.2129.8174.8-76.1-45.6000112.5Y329N327-Y329 PolarHBondContact O-N 2.76Å
328S31.7Very low36.2Very low99 Ų99152.5 Ų152.569%0.69277%0.77SS**  trans-68.399.9173.755.70000111.9E326E326-S328 PolarHBondContact O-N 2.93Å
329Y27.4Very low33.2Very low206 Ų206155.5 Ų155.581%0.80879%0.788SS**  trans-156.9131.6150.8-79.9-66.2000112.5N327N327-Y329 PolarHBondContact O-N 2.76Å
330H28.2Very low30.4Very low173 Ų173159 Ų15980%0.80181%0.813SS**  trans89.287.7161.3-60-54.5000121.7
331R25.4Very low28.3Very low249 Ų249162.6 Ų162.694%0.9483%0.829SS**  37.297.8113.9-157.8-178.4-133.7-148.33.5119.2
332G24.8Very low27.4Very low76 Ų76166.8 Ų166.878%0.78484%0.842SS**  95.3110.611600000120
333S24Very low27Very low121 Ų121162.9 Ų162.985%0.84684%0.835SS**  -174.5148.511868.70000110.8
334Y29.1Very low27Very low231 Ų231159.6 Ų159.691%0.90683%0.831SS**  trans-77.8130.2-174.9-82.6-102.9000112.3
335V26.5Very low27.2Very low134 Ų134160.5 Ų160.581%0.81283%0.832SS**  trans-142.3125.6146.1-174.70000109.5
336N29.2Very low27.5Very low165 Ų165156.5 Ų156.588%0.88282%0.817SS**  trans-75.9114.7176.1-109.7-19.5000109.9
337E25.4Very low27.9Very low178 Ų178151.9 Ų151.983%0.83280%0.803SS**  trans-130.1126.2157.6-80.9-169.1160.600110.4T339E337-T339 PolarHBondContact O-N 2.92Å
338K26.2Very low28.9Very low208 Ų208147 Ų14790%0.90478%0.78SS**  trans-70.2110.5179.1-70.9173.3176.3174.80108.9
339T23.3Very low30.4Very low129 Ų129146.4 Ų146.479%0.79177%0.769SS**  trans-64.9126.9168.142.60000111.1E337E337-T339 PolarHBondContact O-N 2.92Å
340P24.4Very low32.9Very low116 Ų116144 Ų14475%0.75376%0.763SS**  trans-69.8135.4165.523.8-21.8000109.4Q342P340-Q342 PolarHBondContact O-N 3.28Å; P340-Q342 VanDerWaalsContact O-N 3.09Å
341K24.2Very low35.5Very low211 Ų211139.3 Ų139.392%0.91774%0.738SS**  trans-60.4109.9177.7-72.3176.3175.11790109.5
342Q26Very low38.4Very low191 Ų191129.7 Ų129.789%0.89371%0.707SS**  trans-65.2140.4170.4-86.1176.3-19.200110.9P340P340-Q342 PolarHBondContact O-N 3.28Å; P340-Q342 VanDerWaalsContact O-N 3.09Å
343S27Very low41.3Very low104 Ų104131.2 Ų131.273%0.72769%0.693SS**  trans-65.4156.6-178.540.90000113.2S345S343-S345 PolarHBondContact O-N 3.11Å
344T31.1Very low44.2Very low127 Ų127126.8 Ų126.878%0.77966%0.658SS**  trans-66.2103.7-169.745.30000113.8
345S32.9Very low46.9Very low108 Ų108115.9 Ų115.976%0.75562%0.616SS**PPolyproline II helixtrans-80.6144.2160.754.30000110.5S343S343-S345 PolarHBondContact O-N 3.11Å
346N35.8Very low49.9Very low112 Ų112110 Ų11060%0.59958%0.58SS**PPolyproline II helixtrans-47150.1172.6-82.4-30.7000111.1P348N346-P348 WeakPolarHBondContact O-CD 3.35Å
347P36.4Very low52.9Low91 Ų91102.2 Ų102.259%0.59154%0.538SS*.PPolyproline II helixtrans-55.1122.2177.223.1-32000108.5
348P48.4Very low55.7Low58 Ų5895.4 Ų95.438%0.37751%0.505SS..THydrogen-bonded Turntrans-56.4144179.419.9-31.9000110.1K320 N346K320-P348 HydrophobicContact CD-CB 4.19Å; K320-P348 HydrophobicContact CD-CG 4.14Å; K320-P348 VanDerWaalsContact CE-CB 3.45Å; K320-P348 HydrophobicContact CG-CB 3.66Å; K320-P348 HydrophobicContact CG-CG 4.01Å; N346-P348 WeakPolarHBondContact O-CD 3.35Å
349D62.2Low58.4Low86 Ų8687.8 Ų87.846%0.4647%0.473SS..THydrogen-bonded Turntrans91.1-2178.6-49.7-44.2000118.7K320K320-D349 IonicContact NZ-OD2 2.96Å
350K79.7Confident61.3Low156 Ų15681.7 Ų81.768%0.67844%0.435SS*.  trans-93.1131.7175.5-168177.3179.2-177.20113.2R317 T352R317-K350 WeakPolarHBondContact CB-O 3.38Å; K350-T352 PolarHBondContact O-N 2.98Å
351W83.6Confident64Low74 Ų7476.9 Ų76.928%0.2840%0.403SS..  trans-68.2125.8172.7-68.2106.7000111.9T267 E305 M307 Q315 R317T267-W351 HydrophobicContact CG2-CH2 4.19Å; E305-W351 HydrophobicContact CB-CH2 4.16Å; E305-W351 HydrophobicContact CB-CZ3 4.47Å; M307-W351 HydrophobicContact CB-CE3 3.99Å; M307-W351 HydrophobicContact CB-CH2 3.45Å; M307-W351 VanDerWaalsContact CB-CH2 3.45Å; M307-W351 HydrophobicContact CB-CZ2 4.06Å; M307-W351 HydrophobicContact CB-CZ3 3.39Å; M307-W351 HydrophobicContact CE-CD2 3.94Å; M307-W351 HydrophobicContact CE-CE3 4.23Å; M307-W351 HydrophobicContact CE-CG 4.27Å; M307-W351 HydrophobicContact CG-CH2 4.47Å; M307-W351 HydrophobicContact SD-CZ2 4.2Å; Q315-W351 HydrophobicContact CB-CE3 4.07Å; R317-W351 HydrophobicContact CB-CE3 4.17Å; R317-W351 HydrophobicContact CB-CZ3 4.44Å; R317-W351 HydrophobicContact CG-CD2 4.37Å; R317-W351 HydrophobicContact CG-CE3 4.03Å; R317-W351 HydrophobicContact CG-CH2 4.07Å; R317-W351 HydrophobicContact CG-CZ2 4.44Å; R317-W351 HydrophobicContact CG-CZ3 3.86Å
352T85.3Confident66.6Low47 Ų4767.4 Ų67.429%0.28836%0.362SS..EExtended strand (participates in β ladder)trans-104.1133.1174.4-53.20000109.1Q315 F316 K350Q315-T352 CarbonylContact C-O 3.51Å; Q315-T352 WeakPolarHBondContact CA-O 3.46Å; Q315-T352 WeakPolarHBondContact CB-O 3.46Å; F316-T352 HydrophobicContact CE1-CG2 3.73Å; F316-T352 HydrophobicContact CZ-CG2 3.75Å; F316-T352 PolarHBondContact N-O 3.03Å; F316-T352 PolarHBondContact O-N 3.02Å; K350-T352 PolarHBondContact O-N 2.98Å
353F85.9Confident69.5Low108 Ų10858.6 Ų58.647%0.47432%0.321SS..EExtended strand (participates in β ladder)trans-77134.7175.3176.7-98.5000110.1K312 D356K312-F353 WeakPolarHBondContact O-CE2 3.2Å; F353-D356 HydrophobicContact CZ-CB 4.35Å
354F85.5Confident72Confident29 Ų2954 Ų5413%0.12729%0.289CS..EExtended strand (participates in β ladder)trans-99.5-70.6172.7174.2-121.7000110.8L275 I314 F316 I372 T374 H378 M380L275-F354 HydrophobicContact CD2-CD2 3.9Å; L275-F354 HydrophobicContact CD2-CE2 3.83Å; I314-F354 HydrophobicContact CB-CB 4.41Å; I314-F354 HydrophobicContact CB-CD1 4.29Å; I314-F354 HydrophobicContact CD1-CD1 4.37Å; I314-F354 HydrophobicContact CG2-CB 4.31Å; I314-F354 HydrophobicContact CG2-CD1 4.16Å; I314-F354 PolarHBondContact O-N 3.36Å; F316-F354 HydrophobicContact CD1-CB 4.21Å; F316-F354 HydrophobicContact CE1-CB 4.41Å; F354-I372 HydrophobicContact CE1-CB 4.33Å; F354-I372 HydrophobicContact CE1-CG2 4.06Å; F354-T374 HydrophobicContact CE1-CG2 3.94Å; F354-T374 HydrophobicContact CZ-CG2 3.7Å; F354-H378 HydrophobicContact CE2-CB 4.25Å; F354-M380 HydrophobicContact CB-CE 3.58Å; F354-M380 HydrophobicContact CD1-CB 4.28Å; F354-M380 HydrophobicContact CD1-CE 3.54Å; F354-M380 HydrophobicContact CD1-SD 4.2Å; F354-M380 HydrophobicContact CD2-CB 4.44Å; F354-M380 HydrophobicContact CD2-CE 3.73Å; F354-M380 HydrophobicContact CE1-CB 3.65Å; F354-M380 HydrophobicContact CE1-CE 4.13Å; F354-M380 HydrophobicContact CE1-SD 4.4Å; F354-M380 HydrophobicContact CE2-CB 3.84Å; F354-M380 HydrophobicContact CE2-CE 4.3Å; F354-M380 HydrophobicContact CG-CE 3.32Å; F354-M380 HydrophobicContact CZ-CB 3.41Å; F354-M380 VanDerWaalsContact CZ-CB 3.41Å; F354-M380 HydrophobicContact CZ-CE 4.48Å
355C85.8Confident74.6Confident2 Ų248.9 Ų48.91%0.01426%0.256CS..EExtended strand (participates in β ladder)trans-155.7161.3178.471.10000112.2I314 E359 T374I314-C355 PolarHBondContact N-O 3.06Å; C355-E359 HydrophobicContact CB-CB 4.2Å; C355-T374 HydrophobicContact CB-CG2 3.98Å
356D89.9Confident76.8Confident11 Ų1146.3 Ų46.36%0.05924%0.237CC..  trans-84158165.3-173.331.4000111.1F353 R358 E359 R542F353-D356 HydrophobicContact CZ-CB 4.35Å; D356-R358 PolarHBondContact O-N 3.22Å; D356-E359 WeakPolarHBondContact CB-OE1 3.41Å; D356-E359 PolarHBondContact N-OE1 2.99Å; D356-E359 WeakPolarHBondContact O-CB 3.5Å; D356-E359 PolarHBondContact O-N 3.43Å; D356-R542 IonicContact OD1-CZ 3.63Å; D356-R542 IonicContact OD1-NH1 3.12Å; D356-R542 PolarHBondContact OD1-NH1 2.82Å; D356-R542 IonicContact OD1-NH2 3.76Å; D356-R542 IonicContact OD2-CZ 4Å; D356-R542 IonicContact OD2-NH1 2.79Å; D356-R542 PolarHBondContact OD2-NH1 3.06Å; D356-R542 IonicContact OD2-NH2 2.7Å; D356-R542 PolarHBondContact OD2-NH2 3.4Å
357F91Very high79.1Confident0 Ų048 Ų480%024%0.241CC..G310 helixtrans-57.5-37.7-176.6-53.5-69.2000112.4V308 S309 I314 E359 I360 L397 Y400 Y401 T404V308-F357 HydrophobicContact CG1-CE1 3.83Å; V308-F357 HydrophobicContact CG1-CZ 3.88Å; S309-F357 WeakPolarHBondContact O-CE2 3.13Å; S309-F357 WeakPolarHBondContact O-CZ 3.29Å; I314-F357 HydrophobicContact CG1-CE1 4.44Å; F357-E359 PolarHBondContact O-N 3.25Å; F357-E359 VanDerWaalsContact O-N 3.17Å; F357-I360 HydrophobicContact CD1-CD1 4.44Å; F357-I360 WeakPolarHBondContact O-CB 3.5Å; F357-I360 WeakPolarHBondContact O-CG1 3.41Å; F357-I360 PolarHBondContact O-N 2.86Å; F357-I360 VanDerWaalsContact O-N 3.11Å; F357-L397 HydrophobicContact CE1-CD2 4.05Å; F357-Y400 HydrophobicContact CD2-CG 4.48Å; F357-Y400 AromaticContact CE1-CD2 3.88Å; F357-Y400 HydrophobicContact CE1-CD2 3.88Å; F357-Y400 AromaticContact CE1-CG 3.99Å; F357-Y400 HydrophobicContact CE1-CG 3.99Å; F357-Y400 HydrophobicContact CE2-CD1 4.32Å; F357-Y400 HydrophobicContact CE2-CD2 4.29Å; F357-Y400 AromaticContact CE2-CG 3.86Å; F357-Y400 HydrophobicContact CE2-CG 3.86Å; F357-Y400 HydrophobicContact CZ-CD1 4.38Å; F357-Y400 AromaticContact CZ-CD2 3.56Å; F357-Y400 HydrophobicContact CZ-CD2 3.56Å; F357-Y400 HydrophobicContact CZ-CE2 4.36Å; F357-Y400 AromaticContact CZ-CG 3.58Å; F357-Y400 HydrophobicContact CZ-CG 3.58Å; F357-Y401 WeakPolarHBondContact O-CD2 3.5Å; F357-T404 HydrophobicContact CD2-CG2 4.49Å
358R85.4Confident81.5Confident36 Ų3644.5 Ų44.514%0.13622%0.22CC..G310 helixtrans-61.7-23.3179.3-67-178.7175.1177.37.2114D356 I360 Q375 T404 A405 D546D356-R358 PolarHBondContact O-N 3.22Å; R358-I360 VanDerWaalsContact C-N 3.33Å; R358-Q375 PolarHBondContact O-NE2 3.48Å; R358-T404 PolarHBondContact NE-O 3.46Å; R358-T404 PolarHBondContact NH2-O 3.19Å; R358-A405 HydrophobicContact CB-CB 4.26Å; R358-A405 HydrophobicContact CG-CB 3.68Å; R358-D546 IonicContact CZ-OD1 2.64Å; R358-D546 IonicContact CZ-OD2 2.8Å; R358-D546 IonicContact NE-OD1 3.1Å; R358-D546 IonicContact NH1-OD1 2.76Å; R358-D546 PolarHBondContact NH1-OD1 3.1Å; R358-D546 IonicContact NH2-OD1 3.15Å; R358-D546 PolarHBondContact NH2-OD1 3.3Å; R358-D546 IonicContact NH2-OD2 3.38Å; R358-D546 PolarHBondContact NH2-OD2 3.32Å; R358-D546 VanDerWaalsContact NH2-OD2 3.17Å
359E81.9Confident83.2Confident48 Ų4843.9 Ų43.922%0.22421%0.213CC..G310 helixtrans-83.4-11.7-178.9-60.1175.8-113.400112.2C355 D356 F357 T374 Q375C355-E359 HydrophobicContact CB-CB 4.2Å; D356-E359 WeakPolarHBondContact CB-OE1 3.41Å; D356-E359 PolarHBondContact N-OE1 2.99Å; D356-E359 WeakPolarHBondContact O-CB 3.5Å; D356-E359 PolarHBondContact O-N 3.43Å; F357-E359 PolarHBondContact O-N 3.25Å; F357-E359 VanDerWaalsContact O-N 3.17Å; E359-T374 CarbonylContact O-C 3.58Å; E359-T374 WeakPolarHBondContact O-CA 3.3Å; E359-Q375 WeakPolarHBondContact O-CG 3.22Å; E359-Q375 PolarHBondContact O-N 3.41Å
360I85.6Confident84.5Confident0 Ų040 Ų400%019%0.192CC..EExtended strand (participates in β ladder)trans-76.7126.8-179.8-51.5171.7000109.3I314 F357 R358 I363 I372 Y401 L411I314-I360 HydrophobicContact CD1-CD1 3.94Å; F357-I360 HydrophobicContact CD1-CD1 4.44Å; F357-I360 WeakPolarHBondContact O-CB 3.5Å; F357-I360 WeakPolarHBondContact O-CG1 3.41Å; F357-I360 PolarHBondContact O-N 2.86Å; F357-I360 VanDerWaalsContact O-N 3.11Å; R358-I360 VanDerWaalsContact C-N 3.33Å; I360-I363 HydrophobicContact CG2-CD1 4.33Å; I360-I363 HydrophobicContact CG2-CG1 3.92Å; I360-I372 HydrophobicContact CD1-CG2 4.32Å; I360-I372 HydrophobicContact CG1-CG2 4.18Å; I360-I372 HydrophobicContact CG2-CG2 3.89Å; I360-Y401 WeakPolarHBondContact O-CE2 3.48Å; I360-L411 HydrophobicContact CB-CD1 4.06Å; I360-L411 HydrophobicContact CB-CD2 4.35Å; I360-L411 HydrophobicContact CD1-CD1 4.2Å; I360-L411 HydrophobicContact CG2-CD1 3.73Å; I360-L411 HydrophobicContact CG2-CD2 4Å; I360-L411 HydrophobicContact CG2-CG 4.45Å
361I79.4Confident84.7Confident16 Ų1633.5 Ų33.58%0.08217%0.166CC..EExtended strand (participates in β ladder)trans-86.5-55.8175.1-65.1177.7000109.9S373 T374 Q375 L411 Q831 L834I361-S373 PolarHBondContact N-O 3.46Å; I361-T374 WeakPolarHBondContact CD1-O 3.27Å; I361-Q375 HydrophobicContact CD1-CG 4.23Å; I361-Q375 HydrophobicContact CG1-CG 3.82Å; I361-L411 WeakPolarHBondContact O-CD2 3.29Å; I361-Q831 HydrophobicContact CG2-CG 4.43Å; I361-Q831 PolarHBondContact O-NE2 2.78Å; I361-L834 HydrophobicContact CG2-CB 4.4Å; I361-L834 HydrophobicContact CG2-CD1 3.76Å
362H80.2Confident84.9Confident12 Ų1230 Ų306%0.05615%0.153CC..EExtended strand (participates in β ladder)trans-154.7162.1-178.575.8-72.8000110.8S373 T838H362-S373 VanDerWaalsContact CE1-CB 3.5Å; H362-S373 WeakPolarHBondContact CE1-CB 3.24Å; H362-S373 PolarHBondContact CE1-OG 2.85Å; H362-S373 PolarHBondContact O-N 2.75Å; H362-S373 VanDerWaalsContact O-N 3.13Å; H362-T838 PolarHBondContact NE2-OG1 3.21Å; H362-T838 VanDerWaalsContact NE2-OG1 3.14Å
363I86.3Confident84.6Confident6 Ų628.5 Ų28.53%0.03115%0.145CC..EExtended strand (participates in β ladder)trans-127.4127.2175.5-58.4170.7000109.4I360 V370 C371 I372 I394 L397 L411 C412I360-I363 HydrophobicContact CG2-CD1 4.33Å; I360-I363 HydrophobicContact CG2-CG1 3.92Å; I363-V370 HydrophobicContact CG2-CG1 3.64Å; I363-C371 WeakPolarHBondContact CA-O 3.45Å; I363-I372 HydrophobicContact CG1-CG1 4.35Å; I363-I372 HydrophobicContact CG1-CG2 4.32Å; I363-I372 HydrophobicContact CG2-CG1 4.44Å; I363-I394 HydrophobicContact CB-CG2 4.27Å; I363-I394 HydrophobicContact CD1-CG2 4.17Å; I363-I394 HydrophobicContact CG2-CD1 3.95Å; I363-I394 HydrophobicContact CG2-CG1 3.93Å; I363-I394 HydrophobicContact CG2-CG2 3.9Å; I363-L397 HydrophobicContact CD1-CB 3.83Å; I363-L397 HydrophobicContact CD1-CD1 3.77Å; I363-L397 HydrophobicContact CD1-CG 4.46Å; I363-L411 HydrophobicContact CD1-CB 4.12Å; I363-L411 HydrophobicContact CD1-CD1 3.79Å; I363-L411 HydrophobicContact CG1-CB 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.32Å; I363-L411 PolarHBondContact N-O 2.94Å; I363-L411 VanDerWaalsContact N-O 3.13Å; I363-C412 HydrophobicContact CB-CB 4.24Å; I363-C412 WeakPolarHBondContact O-CB 3.47Å; I363-C412 PolarHBondContact O-SG 3.29Å; I363-C412 VanDerWaalsContact O-SG 3.4Å
364A80.8Confident84.3Confident7 Ų723.7 Ų23.76%0.05812%0.124CC..EExtended strand (participates in β ladder)trans-99.7139.5176.100000110.3V370 C371 T838A364-V370 WeakPolarHBondContact O-CA 3.33Å; A364-C371 HydrophobicContact CB-CB 4.38Å; A364-C371 PolarHBondContact N-O 3.28Å; A364-C371 PolarHBondContact O-N 3.08Å; A364-T838 HydrophobicContact CB-CG2 4.26Å
365I84.6Confident83.3Confident19 Ų1926.3 Ų26.310%0.09714%0.137CC..EExtended strand (participates in β ladder)trans-131.6133.6174.2-176.8171.4000111.1N369 A390 R391 I394 E414I365-N369 WeakPolarHBondContact CA-O 3.2Å; I365-A390 HydrophobicContact CD1-CB 3.67Å; I365-A390 HydrophobicContact CG1-CB 4.44Å; I365-R391 HydrophobicContact CD1-CG 4.1Å; I365-I394 HydrophobicContact CB-CD1 3.55Å; I365-I394 HydrophobicContact CD1-CD1 3.64Å; I365-I394 HydrophobicContact CG1-CD1 3.95Å; I365-I394 HydrophobicContact CG2-CD1 4.15Å; I365-E414 HydrophobicContact CG2-CB 3.82Å; I365-E414 HydrophobicContact CG2-CG 3.77Å
366T79.7Confident82Confident55 Ų5530.3 Ų30.334%0.33716%0.158SC..EExtended strand (participates in β ladder)trans-135108.3170.2-50.80000108Y285 A368 N369Y285-T366 WeakPolarHBondContact CE1-OG1 3.19Å; T366-A368 PolarHBondContact O-N 3.23Å; T366-N369 PolarHBondContact N-O 3.05Å; T366-N369 WeakPolarHBondContact O-CB 3.37Å; T366-N369 PolarHBondContact O-N 3.33Å
367E84.2Confident80.5Confident147 Ų14731 Ų3169%0.68716%0.163SC*.THydrogen-bonded Turntrans52.6-101.7-171.6-59.1-172.7167.700113.4S387E367-S387 VanDerWaalsContact O-CA 3.25Å; E367-S387 WeakPolarHBondContact O-CA 3.24Å; E367-S387 WeakPolarHBondContact O-CB 3.34Å; E367-S387 PolarHBondContact O-OG 3.44Å
368A86.7Confident79.4Confident18 Ų1834.1 Ų34.115%0.14918%0.178CC..THydrogen-bonded Turntrans-105.1-3.1178.700000113.5T366 M384T366-A368 PolarHBondContact O-N 3.23Å; A368-M384 VanDerWaalsContact O-CB 3.31Å; A368-M384 WeakPolarHBondContact O-CB 3.46Å; A368-M384 WeakPolarHBondContact O-CG 3.32Å; A368-M384 PolarHBondContact O-N 3.36Å
369N84.4Confident78.9Confident45 Ų4533 Ų3324%0.24118%0.176CC..EExtended strand (participates in β ladder)trans-90.2137.6179.4-61.2-41.6000110.5I365 T366 V382 Q383I365-N369 WeakPolarHBondContact CA-O 3.2Å; T366-N369 PolarHBondContact N-O 3.05Å; T366-N369 WeakPolarHBondContact O-CB 3.37Å; T366-N369 PolarHBondContact O-N 3.33Å; N369-V382 CarbonylContact C-O 3.57Å; N369-V382 WeakPolarHBondContact CA-O 3.49Å; N369-Q383 WeakPolarHBondContact OD1-CG 3.22Å
370V88.1Confident79Confident3 Ų330.8 Ų30.82%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-130.3124.4-178.9-1750000109.3I363 A364 I372 E381 V382 M384 A390 F393 I394I363-V370 HydrophobicContact CG2-CG1 3.64Å; A364-V370 WeakPolarHBondContact O-CA 3.33Å; V370-I372 HydrophobicContact CG1-CG1 4.21Å; V370-E381 CarbonylContact O-C 3.58Å; V370-E381 WeakPolarHBondContact O-CA 3.46Å; V370-V382 PolarHBondContact N-O 3.5Å; V370-V382 PolarHBondContact O-N 3.38Å; V370-M384 HydrophobicContact CG2-CG 3.98Å; V370-A390 HydrophobicContact CG2-CB 3.82Å; V370-F393 HydrophobicContact CG1-CD1 4.27Å; V370-F393 HydrophobicContact CG1-CE1 4.2Å; V370-F393 HydrophobicContact CG2-CD1 4.41Å; V370-I394 HydrophobicContact CG1-CD1 3.91Å; V370-I394 HydrophobicContact CG1-CG1 3.81Å; V370-I394 HydrophobicContact CG2-CD1 3.96Å; V370-I394 HydrophobicContact CG2-CG1 4.18Å
371C85Confident78.9Confident20 Ų2032 Ų3214%0.13517%0.171CC..EExtended strand (participates in β ladder)trans-109.2126.8165.1169.10000109.5I363 A364 C379 M380 E381I363-C371 WeakPolarHBondContact CA-O 3.45Å; A364-C371 HydrophobicContact CB-CB 4.38Å; A364-C371 PolarHBondContact N-O 3.28Å; A364-C371 PolarHBondContact O-N 3.08Å; C371-C379 WeakPolarHBondContact CB-SG 3.32Å; C371-C379 WeakPolarHBondContact SG-CB 3.46Å; C371-C379 CovalentContact SG-SG 2.09Å; C371-C379 PolarHBondContact SG-SG 3.18Å; C371-M380 WeakPolarHBondContact CA-O 3.23Å; C371-E381 HydrophobicContact CB-CG 4.19Å
372I88Confident79.3Confident0 Ų031.4 Ų31.40%017%0.168CC..EExtended strand (participates in β ladder)trans-105.6114.5174.8-55.1168.1000107.4I314 F354 I360 I363 V370 C379 M380 F393 L397I314-I372 HydrophobicContact CD1-CD1 4.17Å; F354-I372 HydrophobicContact CE1-CB 4.33Å; F354-I372 HydrophobicContact CE1-CG2 4.06Å; I360-I372 HydrophobicContact CD1-CG2 4.32Å; I360-I372 HydrophobicContact CG1-CG2 4.18Å; I360-I372 HydrophobicContact CG2-CG2 3.89Å; I363-I372 HydrophobicContact CG1-CG1 4.35Å; I363-I372 HydrophobicContact CG1-CG2 4.32Å; I363-I372 HydrophobicContact CG2-CG1 4.44Å; V370-I372 HydrophobicContact CG1-CG1 4.21Å; I372-C379 VanDerWaalsContact O-CA 3.23Å; I372-C379 WeakPolarHBondContact O-CA 3.36Å; I372-M380 HydrophobicContact CB-CB 4.46Å; I372-M380 HydrophobicContact CD1-SD 4.27Å; I372-M380 PolarHBondContact N-O 2.74Å; I372-M380 PolarHBondContact O-N 2.98Å; I372-F393 HydrophobicContact CD1-CE1 3.94Å; I372-F393 HydrophobicContact CD1-CZ 3.93Å; I372-L397 HydrophobicContact CD1-CD1 3.55Å; I372-L397 HydrophobicContact CG1-CD1 4.17Å
373S79.2Confident79.7Confident16 Ų1634.6 Ų34.611%0.11218%0.183CC..EExtended strand (participates in β ladder)trans-100.6135.1178-52.80000111.8I361 H362I361-S373 PolarHBondContact N-O 3.46Å; H362-S373 VanDerWaalsContact CE1-CB 3.5Å; H362-S373 WeakPolarHBondContact CE1-CB 3.24Å; H362-S373 PolarHBondContact CE1-OG 2.85Å; H362-S373 PolarHBondContact O-N 2.75Å; H362-S373 VanDerWaalsContact O-N 3.13Å
374T79.3Confident79.9Confident7 Ų734.6 Ų34.64%0.04318%0.183CC..EExtended strand (participates in β ladder)trans-110.6165.7-177.467.70000113.2F354 C355 E359 I361 N376 S377 H378F354-T374 HydrophobicContact CE1-CG2 3.94Å; F354-T374 HydrophobicContact CZ-CG2 3.7Å; C355-T374 HydrophobicContact CB-CG2 3.98Å; E359-T374 CarbonylContact O-C 3.58Å; E359-T374 WeakPolarHBondContact O-CA 3.3Å; I361-T374 WeakPolarHBondContact CD1-O 3.27Å; T374-N376 PolarHBondContact O-N 3.1Å; T374-S377 PolarHBondContact O-N 2.96Å; T374-S377 VanDerWaalsContact O-N 3.12Å; T374-H378 PolarHBondContact N-O 3.12Å; T374-H378 WeakPolarHBondContact OG1-CB 3.36Å; T374-H378 PolarHBondContact OG1-N 3.36Å; T374-H378 PolarHBondContact OG1-O 2.94Å
375Q63.8Low80.2Confident84 Ų8436 Ų3639%0.39319%0.19SC..THydrogen-bonded Turntrans-61.2-25.3177.3-73.1176.16.400114.9R358 E359 I361 S377R358-Q375 PolarHBondContact O-NE2 3.48Å; E359-Q375 WeakPolarHBondContact O-CG 3.22Å; E359-Q375 PolarHBondContact O-N 3.41Å; I361-Q375 HydrophobicContact CD1-CG 4.23Å; I361-Q375 HydrophobicContact CG1-CG 3.82Å; Q375-S377 PolarHBondContact O-N 3.33Å
376N58.2Low80.5Confident87 Ų8736.7 Ų36.747%0.46520%0.196SC..THydrogen-bonded Turntrans-91.113.2178.5-59-37.9000112.4T374 H378T374-N376 PolarHBondContact O-N 3.1Å; N376-H378 PolarHBondContact O-N 2.99Å; N376-H378 PolarHBondContact O-ND1 3.47Å
377S58.6Low81Confident24 Ų2436.2 Ų36.217%0.16820%0.195CC..SBendtrans5928-176.2-55.80000115.7D278 T374 Q375D278-S377 VanDerWaalsContact CG-CB 3.4Å; D278-S377 PolarHBondContact N-O 2.99Å; D278-S377 WeakPolarHBondContact OD2-CB 3.41Å; D278-S377 PolarHBondContact OD2-OG 3.34Å; T374-S377 PolarHBondContact O-N 2.96Å; T374-S377 VanDerWaalsContact O-N 3.12Å; Q375-S377 PolarHBondContact O-N 3.33Å
378H67.1Low81.3Confident67 Ų6731.8 Ų31.831%0.3117%0.174SC..EExtended strand (participates in β ladder)trans-84.3129.6162.3-62.386.5000109.1T276 E277 F354 T374 N376T276-H378 WeakPolarHBondContact O-CA 3.49Å; E277-H378 IonicContact OE1-CD2 3.75Å; E277-H378 IonicContact OE1-CE1 2.86Å; E277-H378 IonicContact OE1-NE2 3.16Å; E277-H378 PolarHBondContact OE1-NE2 3.02Å; F354-H378 HydrophobicContact CE2-CB 4.25Å; T374-H378 PolarHBondContact N-O 3.12Å; T374-H378 WeakPolarHBondContact OG1-CB 3.36Å; T374-H378 PolarHBondContact OG1-N 3.36Å; T374-H378 PolarHBondContact OG1-O 2.94Å; N376-H378 PolarHBondContact O-N 2.99Å; N376-H378 PolarHBondContact O-ND1 3.47Å
379C75.8Confident81.7Confident13 Ų1331.6 Ų31.69%0.08817%0.17CC..EExtended strand (participates in β ladder)trans-104.6141.8161.9170.90000110.5L275 T276 C371 I372 E381L275-C379 WeakPolarHBondContact CA-O 3.47Å; T276-C379 PolarHBondContact N-O 3.47Å; T276-C379 PolarHBondContact O-N 3.19Å; C371-C379 WeakPolarHBondContact CB-SG 3.32Å; C371-C379 WeakPolarHBondContact SG-CB 3.46Å; C371-C379 CovalentContact SG-SG 2.09Å; C371-C379 PolarHBondContact SG-SG 3.18Å; I372-C379 VanDerWaalsContact O-CA 3.23Å; I372-C379 WeakPolarHBondContact O-CA 3.36Å; C379-E381 VanDerWaalsContact SG-CG 3.6Å
380M84.4Confident82.1Confident0 Ų029.4 Ų29.40%016%0.159CC..EExtended strand (participates in β ladder)trans-106.5115.1161.6177.1-173.4-7600108.9L273 Q274 L275 I306 I314 F316 F354 C371 I372 V382L273-M380 HydrophobicContact CD1-CE 4.38Å; L273-M380 HydrophobicContact CD1-SD 4.3Å; L273-M380 HydrophobicContact CG-CG 4.35Å; Q274-M380 WeakPolarHBondContact O-CA 3.31Å; L275-M380 HydrophobicContact CD2-CB 3.82Å; L275-M380 HydrophobicContact CD2-CE 3.95Å; L275-M380 HydrophobicContact CD2-CG 3.99Å; I306-M380 HydrophobicContact CD1-SD 4.21Å; I314-M380 HydrophobicContact CG2-CE 4.49Å; F316-M380 HydrophobicContact CD1-CE 3.88Å; F316-M380 HydrophobicContact CE1-CE 4.48Å; F316-M380 HydrophobicContact CG-CE 4.36Å; F354-M380 HydrophobicContact CB-CE 3.58Å; F354-M380 HydrophobicContact CD1-CB 4.28Å; F354-M380 HydrophobicContact CD1-CE 3.54Å; F354-M380 HydrophobicContact CD1-SD 4.2Å; F354-M380 HydrophobicContact CD2-CB 4.44Å; F354-M380 HydrophobicContact CD2-CE 3.73Å; F354-M380 HydrophobicContact CE1-CB 3.65Å; F354-M380 HydrophobicContact CE1-CE 4.13Å; F354-M380 HydrophobicContact CE1-SD 4.4Å; F354-M380 HydrophobicContact CE2-CB 3.84Å; F354-M380 HydrophobicContact CE2-CE 4.3Å; F354-M380 HydrophobicContact CG-CE 3.32Å; F354-M380 HydrophobicContact CZ-CB 3.41Å; F354-M380 VanDerWaalsContact CZ-CB 3.41Å; F354-M380 HydrophobicContact CZ-CE 4.48Å; C371-M380 WeakPolarHBondContact CA-O 3.23Å; I372-M380 HydrophobicContact CB-CB 4.46Å; I372-M380 HydrophobicContact CD1-SD 4.27Å; I372-M380 PolarHBondContact N-O 2.74Å; I372-M380 PolarHBondContact O-N 2.98Å; M380-V382 HydrophobicContact CG-CG2 3.6Å; M380-V382 HydrophobicContact SD-CG2 3.84Å
381E84.1Confident82.5Confident26 Ų2632.7 Ų32.712%0.12117%0.171CC..EExtended strand (participates in β ladder)trans-96.6129.2171.8-64.1-169.717100110L273 Q274 S284 V370 C371 C379L273-E381 WeakPolarHBondContact CA-O 3.47Å; Q274-E381 HydrophobicContact CB-CB 4.46Å; Q274-E381 PolarHBondContact N-O 3.09Å; Q274-E381 PolarHBondContact O-N 3.05Å; S284-E381 PolarHBondContact OG-OE2 3.34Å; S284-E381 VanDerWaalsContact OG-OE2 3.09Å; V370-E381 CarbonylContact O-C 3.58Å; V370-E381 WeakPolarHBondContact O-CA 3.46Å; C371-E381 HydrophobicContact CB-CG 4.19Å; C379-E381 VanDerWaalsContact SG-CG 3.6Å
382V87.5Confident83Confident4 Ų431.9 Ų31.92%0.02417%0.165CC..EExtended strand (participates in β ladder)trans-135129.7-173.7-1720000110.3V270 I306 N369 V370 M380 M384V270-V382 HydrophobicContact CB-CG1 3.9Å; V270-V382 HydrophobicContact CG1-CG1 3.53Å; V270-V382 HydrophobicContact CG2-CG1 4.17Å; I306-V382 HydrophobicContact CD1-CB 4.29Å; I306-V382 HydrophobicContact CD1-CG1 3.61Å; I306-V382 HydrophobicContact CD1-CG2 3.64Å; N369-V382 CarbonylContact C-O 3.57Å; N369-V382 WeakPolarHBondContact CA-O 3.49Å; V370-V382 PolarHBondContact N-O 3.5Å; V370-V382 PolarHBondContact O-N 3.38Å; M380-V382 HydrophobicContact CG-CG2 3.6Å; M380-V382 HydrophobicContact SD-CG2 3.84Å; V382-M384 HydrophobicContact CB-SD 4.49Å; V382-M384 HydrophobicContact CG1-CG 4.49Å; V382-M384 HydrophobicContact CG1-SD 3.58Å; V382-M384 VanDerWaalsContact CG1-SD 3.58Å
383Q88.4Confident83.5Confident79 Ų7931.9 Ų31.937%0.36917%0.165SC..EExtended strand (participates in β ladder)trans-98.3112.4168.6-173.617438.700110.2T271 R272 N369T271-Q383 PolarHBondContact OG1-O 3.3Å; T271-Q383 PolarHBondContact OG1-OE1 3.16Å; R272-Q383 HydrophobicContact CB-CB 4.18Å; R272-Q383 PolarHBondContact O-N 3.18Å; N369-Q383 WeakPolarHBondContact OD1-CG 3.22Å
384M89.2Confident84.3Confident5 Ų531.1 Ų31.13%0.02516%0.16CC..  trans-85.5168.1178.3-50.9-66.9-73.600110.9F268 V270 A368 V370 V382 S386 E389 A390 F393F268-M384 HydrophobicContact CB-CE 4.05Å; F268-M384 HydrophobicContact CD1-CE 3.58Å; F268-M384 HydrophobicContact CE1-CE 4.32Å; F268-M384 HydrophobicContact CG-CE 3.98Å; V270-M384 HydrophobicContact CG1-SD 3.84Å; A368-M384 VanDerWaalsContact O-CB 3.31Å; A368-M384 WeakPolarHBondContact O-CB 3.46Å; A368-M384 WeakPolarHBondContact O-CG 3.32Å; A368-M384 PolarHBondContact O-N 3.36Å; V370-M384 HydrophobicContact CG2-CG 3.98Å; V382-M384 HydrophobicContact CB-SD 4.49Å; V382-M384 HydrophobicContact CG1-CG 4.49Å; V382-M384 HydrophobicContact CG1-SD 3.58Å; V382-M384 VanDerWaalsContact CG1-SD 3.58Å; M384-S386 VanDerWaalsContact C-N 3.3Å; M384-S386 PolarHBondContact O-N 3.01Å; M384-E389 HydrophobicContact CB-CB 4.5Å; M384-E389 HydrophobicContact CE-CG 3.77Å; M384-A390 HydrophobicContact CB-CB 4.11Å; M384-A390 HydrophobicContact CG-CB 3.87Å; M384-F393 HydrophobicContact CE-CB 3.46Å; M384-F393 VanDerWaalsContact CE-CB 3.46Å; M384-F393 HydrophobicContact CE-CD1 3.99Å; M384-F393 HydrophobicContact CE-CD2 4.45Å; M384-F393 HydrophobicContact CE-CG 3.74Å; M384-F393 HydrophobicContact SD-CD1 4.09Å; M384-F393 HydrophobicContact SD-CG 4.42Å
385N87.9Confident85.1Confident37 Ų3730.9 Ų30.920%0.19816%0.158CC..SBendtrans-76.2-18.9-177.2-58.6-63000114S269 F302 E389S269-N385 PolarHBondContact O-ND2 2.65Å; F302-N385 VanDerWaalsContact CE1-OD1 3.25Å; F302-N385 WeakPolarHBondContact CE1-OD1 3.41Å; N385-E389 WeakPolarHBondContact CA-OE2 3.46Å; N385-E389 WeakPolarHBondContact CB-OE2 3.48Å; N385-E389 VanDerWaalsContact CG-OE2 3.28Å; N385-E389 PolarHBondContact N-OE2 2.9Å; N385-E389 PolarHBondContact ND2-OE1 3.19Å; N385-E389 PolarHBondContact ND2-OE2 3.09Å
386S90.4Very high86.7Confident34 Ų3426.9 Ų26.924%0.23814%0.14CC..SBendtrans-162.5160.617965.70000110.9M384 Q388 E389 A390M384-S386 VanDerWaalsContact C-N 3.3Å; M384-S386 PolarHBondContact O-N 3.01Å; S386-Q388 PolarHBondContact O-N 3.42Å; S386-E389 PolarHBondContact O-N 2.84Å; S386-E389 WeakPolarHBondContact OG-CB 3.4Å; S386-E389 PolarHBondContact OG-N 3.36Å; S386-E389 VanDerWaalsContact OG-N 3.12Å; S386-A390 PolarHBondContact O-N 3.13Å
387S91.2Very high88.6Confident45 Ų4522.7 Ų22.732%0.31512%0.118SC..Hα-helixtrans-61.7-33.2173.4-169.90000112.7E367 A390 R391E367-S387 VanDerWaalsContact O-CA 3.25Å; E367-S387 WeakPolarHBondContact O-CA 3.24Å; E367-S387 WeakPolarHBondContact O-CB 3.34Å; E367-S387 PolarHBondContact O-OG 3.44Å; S387-A390 PolarHBondContact O-N 3.04Å; S387-R391 WeakPolarHBondContact O-CG 3.13Å; S387-R391 PolarHBondContact O-N 3.23Å
388Q91Very high90.4Very high53 Ų5321.6 Ų21.625%0.24811%0.11CC..Hα-helixtrans-65.7-40.7175.6-173.761.140.800112Y78 W79 S386 R391 S392Y78-Q388 HydrophobicContact CD2-CB 4.39Å; Y78-Q388 HydrophobicContact CD2-CG 3.96Å; Y78-Q388 HydrophobicContact CG-CG 4.32Å; W79-Q388 PolarHBondContact O-NE2 3.31Å; S386-Q388 PolarHBondContact O-N 3.42Å; Q388-R391 PolarHBondContact O-N 2.95Å; Q388-S392 WeakPolarHBondContact O-CB 3.32Å; Q388-S392 PolarHBondContact O-N 3.33Å
389E93.8Very high91.8Very high14 Ų1418.5 Ų18.57%0.06510%0.096CC..Hα-helixtrans-66.5-39.8175.1-169.2-176.4-149.100111.3Y78 F268 M384 N385 S386 S392 F393Y78-E389 HydrophobicContact CD1-CB 4.02Å; Y78-E389 HydrophobicContact CD1-CG 4.03Å; Y78-E389 HydrophobicContact CE1-CB 3.61Å; Y78-E389 HydrophobicContact CE1-CG 3.6Å; F268-E389 HydrophobicContact CD1-CG 4.09Å; F268-E389 HydrophobicContact CE1-CG 4.42Å; M384-E389 HydrophobicContact CB-CB 4.5Å; M384-E389 HydrophobicContact CE-CG 3.77Å; N385-E389 WeakPolarHBondContact CA-OE2 3.46Å; N385-E389 WeakPolarHBondContact CB-OE2 3.48Å; N385-E389 VanDerWaalsContact CG-OE2 3.28Å; N385-E389 PolarHBondContact N-OE2 2.9Å; N385-E389 PolarHBondContact ND2-OE1 3.19Å; N385-E389 PolarHBondContact ND2-OE2 3.09Å; S386-E389 PolarHBondContact O-N 2.84Å; S386-E389 WeakPolarHBondContact OG-CB 3.4Å; S386-E389 PolarHBondContact OG-N 3.36Å; S386-E389 VanDerWaalsContact OG-N 3.12Å; E389-S392 WeakPolarHBondContact O-CB 3.3Å; E389-S392 PolarHBondContact O-N 2.86Å; E389-F393 WeakPolarHBondContact O-CB 3.25Å; E389-F393 PolarHBondContact O-N 2.91Å
390A93.7Very high92.8Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-59.6-47.5173.900000111.7I365 V370 M384 S386 S387 S392 F393 I394I365-A390 HydrophobicContact CD1-CB 3.67Å; I365-A390 HydrophobicContact CG1-CB 4.44Å; V370-A390 HydrophobicContact CG2-CB 3.82Å; M384-A390 HydrophobicContact CB-CB 4.11Å; M384-A390 HydrophobicContact CG-CB 3.87Å; S386-A390 PolarHBondContact O-N 3.13Å; S387-A390 PolarHBondContact O-N 3.04Å; A390-S392 VanDerWaalsContact C-N 3.32Å; A390-S392 PolarHBondContact O-N 3.34Å; A390-F393 PolarHBondContact O-N 3.14Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.5Å; A390-I394 PolarHBondContact O-N 2.92Å
391R95.3Very high93.4Very high72 Ų7218.5 Ų18.527%0.2729%0.094SC..Hα-helixtrans-62.2-38.2174.6-68.9173.5-178.7-119.7-9.5112.3I365 S387 Q388 S395 E414 V415I365-R391 HydrophobicContact CD1-CG 4.1Å; S387-R391 WeakPolarHBondContact O-CG 3.13Å; S387-R391 PolarHBondContact O-N 3.23Å; Q388-R391 PolarHBondContact O-N 2.95Å; R391-S395 VanDerWaalsContact O-CB 3.29Å; R391-S395 WeakPolarHBondContact O-CB 3.44Å; R391-S395 PolarHBondContact O-N 3.15Å; R391-S395 PolarHBondContact O-OG 3.44Å; R391-E414 IonicContact NH2-OE2 2.75Å; R391-E414 PolarHBondContact NH2-OE2 3.26Å; R391-V415 HydrophobicContact CB-CG1 4.06Å; R391-V415 HydrophobicContact CG-CG1 4.22Å
392S96.7Very high93.9Very high2 Ų218.7 Ų18.71%0.0149%0.094CC..Hα-helixtrans-61.1-46.4173-179.30000111.2W79 R101 Q388 E389 A390 S395 L396W79-S392 WeakPolarHBondContact CB-OG 3.4Å; W79-S392 PolarHBondContact N-OG 3.25Å; W79-S392 WeakPolarHBondContact O-CB 3.38Å; R101-S392 PolarHBondContact NH1-O 2.66Å; R101-S392 PolarHBondContact NH2-O 3.06Å; R101-S392 PolarHBondContact NH2-OG 2.92Å; Q388-S392 WeakPolarHBondContact O-CB 3.32Å; Q388-S392 PolarHBondContact O-N 3.33Å; E389-S392 WeakPolarHBondContact O-CB 3.3Å; E389-S392 PolarHBondContact O-N 2.86Å; A390-S392 VanDerWaalsContact C-N 3.32Å; A390-S392 PolarHBondContact O-N 3.34Å; S392-S395 PolarHBondContact O-OG 3.33Å; S392-L396 PolarHBondContact O-N 3.22Å
393F96.9Very high94.3Very high0 Ų018.7 Ų18.70%09%0.094CC..Hα-helixtrans-65.6-47.8179.2174.3-121.9000112.6F268 I306 V308 V370 I372 M384 E389 A390 S395 L396 L397F268-F393 HydrophobicContact CD1-CB 4.23Å; F268-F393 HydrophobicContact CD1-CD2 4.43Å; F268-F393 AromaticContact CD2-CD2 3.63Å; F268-F393 HydrophobicContact CD2-CD2 3.63Å; F268-F393 HydrophobicContact CD2-CE2 4.1Å; F268-F393 HydrophobicContact CE1-CB 3.89Å; F268-F393 HydrophobicContact CE1-CD2 4.35Å; F268-F393 AromaticContact CE2-CD2 3.57Å; F268-F393 HydrophobicContact CE2-CD2 3.57Å; F268-F393 HydrophobicContact CE2-CE2 4.29Å; F268-F393 HydrophobicContact CG-CD2 4.09Å; F268-F393 HydrophobicContact CZ-CB 4.07Å; F268-F393 AromaticContact CZ-CD2 3.95Å; F268-F393 HydrophobicContact CZ-CD2 3.95Å; I306-F393 HydrophobicContact CD1-CZ 4.37Å; I306-F393 HydrophobicContact CG2-CE2 4.06Å; I306-F393 HydrophobicContact CG2-CZ 4.18Å; V308-F393 HydrophobicContact CG2-CD2 4.44Å; V308-F393 HydrophobicContact CG2-CE2 3.79Å; V370-F393 HydrophobicContact CG1-CD1 4.27Å; V370-F393 HydrophobicContact CG1-CE1 4.2Å; V370-F393 HydrophobicContact CG2-CD1 4.41Å; I372-F393 HydrophobicContact CD1-CE1 3.94Å; I372-F393 HydrophobicContact CD1-CZ 3.93Å; M384-F393 HydrophobicContact CE-CB 3.46Å; M384-F393 VanDerWaalsContact CE-CB 3.46Å; M384-F393 HydrophobicContact CE-CD1 3.99Å; M384-F393 HydrophobicContact CE-CD2 4.45Å; M384-F393 HydrophobicContact CE-CG 3.74Å; M384-F393 HydrophobicContact SD-CD1 4.09Å; M384-F393 HydrophobicContact SD-CG 4.42Å; E389-F393 WeakPolarHBondContact O-CB 3.25Å; E389-F393 PolarHBondContact O-N 2.91Å; A390-F393 PolarHBondContact O-N 3.14Å; F393-S395 PolarHBondContact O-N 3.39Å; F393-L396 VanDerWaalsContact O-CB 3.27Å; F393-L396 WeakPolarHBondContact O-CB 3.47Å; F393-L396 PolarHBondContact O-N 3.1Å; F393-L396 VanDerWaalsContact O-N 3.15Å; F393-L397 HydrophobicContact CD1-CD1 4.5Å; F393-L397 HydrophobicContact CE1-CD1 3.94Å; F393-L397 HydrophobicContact CE2-CD1 4.11Å; F393-L397 HydrophobicContact CE2-CD2 4.32Å; F393-L397 HydrophobicContact CE2-CG 4.27Å; F393-L397 HydrophobicContact CZ-CD1 3.73Å; F393-L397 HydrophobicContact CZ-CG 4.38Å; F393-L397 PolarHBondContact O-N 3.24Å
394I96.1Very high94.5Very high0 Ų015 Ų150%08%0.076CC..Hα-helixtrans-66.7-39.9-178.7-59.1171.9000111I363 I365 V370 A390 L396 L397 D398 C412 V415I363-I394 HydrophobicContact CB-CG2 4.27Å; I363-I394 HydrophobicContact CD1-CG2 4.17Å; I363-I394 HydrophobicContact CG2-CD1 3.95Å; I363-I394 HydrophobicContact CG2-CG1 3.93Å; I363-I394 HydrophobicContact CG2-CG2 3.9Å; I365-I394 HydrophobicContact CB-CD1 3.55Å; I365-I394 HydrophobicContact CD1-CD1 3.64Å; I365-I394 HydrophobicContact CG1-CD1 3.95Å; I365-I394 HydrophobicContact CG2-CD1 4.15Å; V370-I394 HydrophobicContact CG1-CD1 3.91Å; V370-I394 HydrophobicContact CG1-CG1 3.81Å; V370-I394 HydrophobicContact CG2-CD1 3.96Å; V370-I394 HydrophobicContact CG2-CG1 4.18Å; A390-I394 VanDerWaalsContact O-CG1 3.26Å; A390-I394 WeakPolarHBondContact O-CG1 3.5Å; A390-I394 PolarHBondContact O-N 2.92Å; I394-L396 PolarHBondContact O-N 2.76Å; I394-L397 PolarHBondContact O-N 3.48Å; I394-L397 VanDerWaalsContact O-N 3.15Å; I394-D398 VanDerWaalsContact O-CB 3.22Å; I394-D398 WeakPolarHBondContact O-CB 3.44Å; I394-D398 PolarHBondContact O-N 3.23Å; I394-C412 HydrophobicContact CG2-CB 3.63Å; I394-V415 HydrophobicContact CB-CG1 4.31Å; I394-V415 HydrophobicContact CB-CG2 4.14Å; I394-V415 HydrophobicContact CG2-CG1 4.46Å; I394-V415 HydrophobicContact CG2-CG2 3.54Å
395S97.3Very high94.5Very high2 Ų215.1 Ų15.11%0.0148%0.079CC..Hα-helixtrans-62.8-27176.1570000113.2R101 R391 S392 F393 G399R101-S395 PolarHBondContact NH1-OG 2.68Å; R391-S395 VanDerWaalsContact O-CB 3.29Å; R391-S395 WeakPolarHBondContact O-CB 3.44Å; R391-S395 PolarHBondContact O-N 3.15Å; R391-S395 PolarHBondContact O-OG 3.44Å; S392-S395 PolarHBondContact O-OG 3.33Å; F393-S395 PolarHBondContact O-N 3.39Å; S395-G399 PolarHBondContact O-N 2.76Å; S395-G399 VanDerWaalsContact O-N 3.08Å
396L98.1Very high94.6Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-68.5-49.2171.4-174.462000111.7R101 F102 E266 F268 V308 S392 F393 I394 G399 Y400R101-L396 HydrophobicContact CG-CD1 4.22Å; F102-L396 HydrophobicContact CD1-CD1 4.17Å; F102-L396 HydrophobicContact CE1-CD1 3.98Å; F102-L396 WeakPolarHBondContact CE1-O 3.28Å; E266-L396 HydrophobicContact CB-CD2 3.69Å; E266-L396 HydrophobicContact CG-CD2 4.04Å; E266-L396 VanDerWaalsContact OE1-CD1 3.23Å; E266-L396 WeakPolarHBondContact OE1-CD1 3.45Å; F268-L396 HydrophobicContact CE2-CD2 3.98Å; F268-L396 HydrophobicContact CZ-CD2 4.26Å; V308-L396 HydrophobicContact CB-CD2 3.65Å; V308-L396 HydrophobicContact CB-CG 4.49Å; V308-L396 HydrophobicContact CG1-CD2 3.7Å; V308-L396 HydrophobicContact CG1-CG 4Å; V308-L396 HydrophobicContact CG2-CD2 4.17Å; S392-L396 PolarHBondContact O-N 3.22Å; F393-L396 VanDerWaalsContact O-CB 3.27Å; F393-L396 WeakPolarHBondContact O-CB 3.47Å; F393-L396 PolarHBondContact O-N 3.1Å; F393-L396 VanDerWaalsContact O-N 3.15Å; I394-L396 PolarHBondContact O-N 2.76Å; L396-G399 PolarHBondContact O-N 2.73Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.44Å; L396-Y400 VanDerWaalsContact CD1-CE2 3.44Å; L396-Y400 HydrophobicContact CG-CD2 4Å; L396-Y400 HydrophobicContact CG-CE2 3.88Å; L396-Y400 WeakPolarHBondContact O-CD2 3.37Å; L396-Y400 PolarHBondContact O-N 2.94Å
397L97.4Very high94.7Very high0 Ų013 Ų130%07%0.068CC..Hα-helixtrans-62.8-45.8179.8-61.7-176.3000111.3V308 I314 F357 I363 I372 F393 I394 G399 Y400 Y401V308-L397 HydrophobicContact CG1-CD2 3.88Å; V308-L397 HydrophobicContact CG2-CD2 3.87Å; I314-L397 HydrophobicContact CD1-CD1 4.04Å; I314-L397 HydrophobicContact CD1-CD2 3.61Å; I314-L397 HydrophobicContact CD1-CG 4.46Å; I314-L397 HydrophobicContact CG1-CD2 3.81Å; F357-L397 HydrophobicContact CE1-CD2 4.05Å; I363-L397 HydrophobicContact CD1-CB 3.83Å; I363-L397 HydrophobicContact CD1-CD1 3.77Å; I363-L397 HydrophobicContact CD1-CG 4.46Å; I372-L397 HydrophobicContact CD1-CD1 3.55Å; I372-L397 HydrophobicContact CG1-CD1 4.17Å; F393-L397 HydrophobicContact CD1-CD1 4.5Å; F393-L397 HydrophobicContact CE1-CD1 3.94Å; F393-L397 HydrophobicContact CE2-CD1 4.11Å; F393-L397 HydrophobicContact CE2-CD2 4.32Å; F393-L397 HydrophobicContact CE2-CG 4.27Å; F393-L397 HydrophobicContact CZ-CD1 3.73Å; F393-L397 HydrophobicContact CZ-CG 4.38Å; F393-L397 PolarHBondContact O-N 3.24Å; I394-L397 PolarHBondContact O-N 3.48Å; I394-L397 VanDerWaalsContact O-N 3.15Å; L397-G399 PolarHBondContact O-N 3.3Å; L397-Y400 PolarHBondContact O-N 3.12Å; L397-Y401 WeakPolarHBondContact O-CB 2.95Å; L397-Y401 PolarHBondContact O-N 3.37Å
398D96.1Very high94.6Very high0 Ų012.1 Ų12.10%06%0.058CC..Hα-helixtrans-64.9-36.9179.6-179.863.9000112.6I394 Y401 R402 Y410 L411 V415I394-D398 VanDerWaalsContact O-CB 3.22Å; I394-D398 WeakPolarHBondContact O-CB 3.44Å; I394-D398 PolarHBondContact O-N 3.23Å; D398-Y401 WeakPolarHBondContact O-CB 3.44Å; D398-R402 PolarHBondContact O-N 3.44Å; D398-R402 IonicContact OD1-NH1 3.76Å; D398-R402 PolarHBondContact OD1-NH1 3.08Å; D398-R402 IonicContact OD2-CZ 2.9Å; D398-R402 IonicContact OD2-NH1 3.75Å; D398-R402 PolarHBondContact OD2-NH1 3.49Å; D398-R402 IonicContact OD2-NH2 2.71Å; D398-R402 PolarHBondContact OD2-NH2 3.06Å; D398-Y410 VanDerWaalsContact OD1-CA 3.23Å; D398-Y410 WeakPolarHBondContact OD1-CA 3.45Å; D398-Y410 WeakPolarHBondContact OD1-CB 3.27Å; D398-L411 PolarHBondContact OD1-N 2.94Å; D398-V415 HydrophobicContact CB-CG2 4.4Å
399G96.7Very high94.6Very high3 Ų310.1 Ų10.13%0.0315%0.049CC..Hα-helixtrans-71.1-41.7174.200000113.7F102 S395 L396 L397 Y401 R402 L403F102-G399 VanDerWaalsContact CE1-CA 3.41Å; S395-G399 PolarHBondContact O-N 2.76Å; S395-G399 VanDerWaalsContact O-N 3.08Å; L396-G399 PolarHBondContact O-N 2.73Å; L397-G399 PolarHBondContact O-N 3.3Å; G399-Y401 VanDerWaalsContact C-N 3.33Å; G399-Y401 PolarHBondContact O-N 3.39Å; G399-R402 PolarHBondContact O-N 3.35Å; G399-L403 WeakPolarHBondContact O-CG 3.37Å; G399-L403 PolarHBondContact O-N 3.48Å; G399-L403 VanDerWaalsContact O-N 3.1Å
400Y97.4Very high94.5Very high3 Ų39.8 Ų9.81%0.0125%0.047CC..Hα-helixtrans-65.9-35.8172.4-79.9-56.8000112.4F102 Y103 F104 V308 F357 L396 L397 L403 T404F102-Y400 HydrophobicContact CB-CD1 4.42Å; F102-Y400 HydrophobicContact CB-CE1 3.99Å; F102-Y400 HydrophobicContact CD1-CD1 4.12Å; F102-Y400 HydrophobicContact CD1-CD2 4.15Å; F102-Y400 HydrophobicContact CD1-CE1 4.17Å; F102-Y400 HydrophobicContact CD1-CE2 4.22Å; F102-Y400 HydrophobicContact CD1-CG 4.09Å; Y103-Y400 PolarHBondContact N-OH 3.42Å; Y103-Y400 PolarHBondContact O-OH 3.18Å; F104-Y400 HydrophobicContact CE1-CD1 4.42Å; F104-Y400 HydrophobicContact CE2-CD1 4.48Å; F104-Y400 HydrophobicContact CE2-CE1 4.35Å; F104-Y400 AromaticContact CZ-CD1 3.98Å; F104-Y400 HydrophobicContact CZ-CD1 3.98Å; F104-Y400 HydrophobicContact CZ-CE1 4.19Å; V308-Y400 HydrophobicContact CG1-CD2 3.97Å; V308-Y400 HydrophobicContact CG1-CE2 4.03Å; F357-Y400 HydrophobicContact CD2-CG 4.48Å; F357-Y400 AromaticContact CE1-CD2 3.88Å; F357-Y400 HydrophobicContact CE1-CD2 3.88Å; F357-Y400 AromaticContact CE1-CG 3.99Å; F357-Y400 HydrophobicContact CE1-CG 3.99Å; F357-Y400 HydrophobicContact CE2-CD1 4.32Å; F357-Y400 HydrophobicContact CE2-CD2 4.29Å; F357-Y400 AromaticContact CE2-CG 3.86Å; F357-Y400 HydrophobicContact CE2-CG 3.86Å; F357-Y400 HydrophobicContact CZ-CD1 4.38Å; F357-Y400 AromaticContact CZ-CD2 3.56Å; F357-Y400 HydrophobicContact CZ-CD2 3.56Å; F357-Y400 HydrophobicContact CZ-CE2 4.36Å; F357-Y400 AromaticContact CZ-CG 3.58Å; F357-Y400 HydrophobicContact CZ-CG 3.58Å; L396-Y400 HydrophobicContact CD1-CD2 3.89Å; L396-Y400 HydrophobicContact CD1-CE2 3.44Å; L396-Y400 VanDerWaalsContact CD1-CE2 3.44Å; L396-Y400 HydrophobicContact CG-CD2 4Å; L396-Y400 HydrophobicContact CG-CE2 3.88Å; L396-Y400 WeakPolarHBondContact O-CD2 3.37Å; L396-Y400 PolarHBondContact O-N 2.94Å; L397-Y400 PolarHBondContact O-N 3.12Å; Y400-L403 PolarHBondContact O-N 3.37Å; Y400-T404 WeakPolarHBondContact O-CB 3.26Å; Y400-T404 WeakPolarHBondContact O-CG2 3.29Å; Y400-T404 PolarHBondContact O-N 3.06Å; Y400-T404 PolarHBondContact O-OG1 3.35Å
401Y95.3Very high94.3Very high10 Ų109.8 Ų9.84%0.0395%0.047CC..Hα-helixtrans-57-48.7172-177.2-91.6000111.2F357 I360 L397 D398 G399 L403 T404 A405 D406 H409 L411 Q831F357-Y401 WeakPolarHBondContact O-CD2 3.5Å; I360-Y401 WeakPolarHBondContact O-CE2 3.48Å; L397-Y401 WeakPolarHBondContact O-CB 2.95Å; L397-Y401 PolarHBondContact O-N 3.37Å; D398-Y401 WeakPolarHBondContact O-CB 3.44Å; G399-Y401 VanDerWaalsContact C-N 3.33Å; G399-Y401 PolarHBondContact O-N 3.39Å; Y401-L403 VanDerWaalsContact C-N 3.28Å; Y401-L403 PolarHBondContact O-N 2.89Å; Y401-T404 PolarHBondContact O-N 2.84Å; Y401-A405 HydrophobicContact CD1-CB 4.32Å; Y401-A405 HydrophobicContact CD2-CB 3.67Å; Y401-A405 HydrophobicContact CE1-CB 4.16Å; Y401-A405 HydrophobicContact CE2-CB 3.49Å; Y401-A405 VanDerWaalsContact CE2-CB 3.49Å; Y401-A405 HydrophobicContact CG-CB 4.08Å; Y401-A405 WeakPolarHBondContact O-CA 3.36Å; Y401-A405 VanDerWaalsContact O-CB 3.3Å; Y401-A405 WeakPolarHBondContact O-CB 3.44Å; Y401-A405 PolarHBondContact O-N 3.11Å; Y401-D406 HydrophobicContact CE1-CB 3.89Å; Y401-D406 PolarHBondContact O-N 3.12Å; Y401-H409 HydrophobicContact CE1-CB 4.29Å; Y401-L411 HydrophobicContact CD1-CD1 4.39Å; Y401-L411 HydrophobicContact CD1-CD2 4.09Å; Y401-L411 HydrophobicContact CD1-CG 3.95Å; Y401-L411 HydrophobicContact CD2-CD1 3.77Å; Y401-L411 HydrophobicContact CD2-CD2 3.78Å; Y401-L411 HydrophobicContact CD2-CG 3.98Å; Y401-L411 HydrophobicContact CE1-CD2 4.07Å; Y401-L411 HydrophobicContact CE1-CG 4.4Å; Y401-L411 HydrophobicContact CE2-CD2 3.76Å; Y401-L411 HydrophobicContact CE2-CG 4.44Å; Y401-L411 HydrophobicContact CG-CD1 3.67Å; Y401-L411 HydrophobicContact CG-CD2 3.96Å; Y401-L411 HydrophobicContact CG-CG 3.73Å; Y401-Q831 PolarHBondContact OH-NE2 3.5Å; Y401-Q831 PolarHBondContact OH-OE1 3.32Å
402R95Very high94Very high30 Ų306.7 Ų6.711%0.1134%0.036CC..Hα-helixtrans-61.3-35.7175.9-83.4-169.5-67.8-78.5-8114.2D398 G399 D406 A407 H409 L539D398-R402 PolarHBondContact O-N 3.44Å; D398-R402 IonicContact OD1-NH1 3.76Å; D398-R402 PolarHBondContact OD1-NH1 3.08Å; D398-R402 IonicContact OD2-CZ 2.9Å; D398-R402 IonicContact OD2-NH1 3.75Å; D398-R402 PolarHBondContact OD2-NH1 3.49Å; D398-R402 IonicContact OD2-NH2 2.71Å; D398-R402 PolarHBondContact OD2-NH2 3.06Å; G399-R402 PolarHBondContact O-N 3.35Å; R402-D406 VanDerWaalsContact CA-O 3.32Å; R402-D406 WeakPolarHBondContact CA-O 3.22Å; R402-A407 WeakPolarHBondContact O-CA 3.43Å; R402-A407 PolarHBondContact O-N 3.47Å; R402-H409 WeakPolarHBondContact CG-O 3.38Å; R402-L539 WeakPolarHBondContact O-CD2 3.43Å
403L95.9Very high93.6Very high4 Ų410.5 Ų10.52%0.0215%0.054CC..Hα-helixtrans-77-23.4-179.5-72.2163.6000112.8V67 L68 F102 F104 G399 Y400 Y401 L539 V540V67-L403 HydrophobicContact CG2-CD2 3.79Å; L68-L403 HydrophobicContact CD2-CD1 3.75Å; L68-L403 HydrophobicContact CD2-CD2 3.81Å; L68-L403 HydrophobicContact CD2-CG 4.47Å; F102-L403 HydrophobicContact CB-CD1 3.45Å; F102-L403 VanDerWaalsContact CB-CD1 3.45Å; F102-L403 HydrophobicContact CD1-CD1 4.23Å; F102-L403 HydrophobicContact CD2-CD1 4.4Å; F102-L403 HydrophobicContact CG-CD1 3.78Å; F104-L403 HydrophobicContact CE2-CB 4.38Å; F104-L403 HydrophobicContact CE2-CD1 4.18Å; F104-L403 HydrophobicContact CZ-CB 4.03Å; F104-L403 HydrophobicContact CZ-CD1 4.47Å; G399-L403 WeakPolarHBondContact O-CG 3.37Å; G399-L403 PolarHBondContact O-N 3.48Å; G399-L403 VanDerWaalsContact O-N 3.1Å; Y400-L403 PolarHBondContact O-N 3.37Å; Y401-L403 VanDerWaalsContact C-N 3.28Å; Y401-L403 PolarHBondContact O-N 2.89Å; L403-L539 CarbonylContact O-C 3.47Å; L403-L539 WeakPolarHBondContact O-CA 3.27Å; L403-V540 HydrophobicContact CB-CG2 4.26Å; L403-V540 HydrophobicContact CD2-CG2 4.25Å; L403-V540 WeakPolarHBondContact O-CB 3.21Å; L403-V540 PolarHBondContact O-N 3.07Å
404T92.9Very high93.2Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-120.5-27.7-170.360.80000114.2F104 F357 R358 Y400 Y401F104-T404 HydrophobicContact CE1-CG2 3.73Å; F104-T404 HydrophobicContact CZ-CG2 3.82Å; F357-T404 HydrophobicContact CD2-CG2 4.49Å; R358-T404 PolarHBondContact NE-O 3.46Å; R358-T404 PolarHBondContact NH2-O 3.19Å; Y400-T404 WeakPolarHBondContact O-CB 3.26Å; Y400-T404 WeakPolarHBondContact O-CG2 3.29Å; Y400-T404 PolarHBondContact O-N 3.06Å; Y400-T404 PolarHBondContact O-OG1 3.35Å; Y401-T404 PolarHBondContact O-N 2.84Å
405A89.3Confident93.1Very high9 Ų914.5 Ų14.57%0.0747%0.072CC..THydrogen-bonded Turntrans-112.3-63.8-173.400000112.1R358 Y401 A533R358-A405 HydrophobicContact CB-CB 4.26Å; R358-A405 HydrophobicContact CG-CB 3.68Å; Y401-A405 HydrophobicContact CD1-CB 4.32Å; Y401-A405 HydrophobicContact CD2-CB 3.67Å; Y401-A405 HydrophobicContact CE1-CB 4.16Å; Y401-A405 HydrophobicContact CE2-CB 3.49Å; Y401-A405 VanDerWaalsContact CE2-CB 3.49Å; Y401-A405 HydrophobicContact CG-CB 4.08Å; Y401-A405 WeakPolarHBondContact O-CA 3.36Å; Y401-A405 VanDerWaalsContact O-CB 3.3Å; Y401-A405 WeakPolarHBondContact O-CB 3.44Å; Y401-A405 PolarHBondContact O-N 3.11Å; A405-A533 WeakPolarHBondContact O-CA 3.47Å
406D90.4Very high93Very high8 Ų814.5 Ų14.54%0.0437%0.073CC..  trans-147.8110.4-176.1-166.6-32000112.2Y401 R402 H408 H409 Q532 A533Y401-D406 HydrophobicContact CE1-CB 3.89Å; Y401-D406 PolarHBondContact O-N 3.12Å; R402-D406 VanDerWaalsContact CA-O 3.32Å; R402-D406 WeakPolarHBondContact CA-O 3.22Å; D406-H408 PolarHBondContact O-N 2.81Å; D406-H408 PolarHBondContact OD1-N 3.05Å; D406-H408 IonicContact OD1-ND1 3.26Å; D406-H409 HydrophobicContact CB-CB 4.02Å; D406-H409 PolarHBondContact O-N 3.2Å; D406-Q532 VanDerWaalsContact OD2-CA 3.25Å; D406-Q532 WeakPolarHBondContact OD2-CA 3.32Å; D406-A533 PolarHBondContact OD2-N 3.28Å
407A91.9Very high92.9Very high19 Ų1914.8 Ų14.816%0.1578%0.075CC..THydrogen-bonded Turntrans-67.8-16.9-176.500000114.6R402 L538 L539R402-A407 WeakPolarHBondContact O-CA 3.43Å; R402-A407 PolarHBondContact O-N 3.47Å; A407-L538 HydrophobicContact CB-CB 3.63Å; A407-L538 HydrophobicContact CB-CD1 3.86Å; A407-L538 HydrophobicContact CB-CG 4.4Å; A407-L539 HydrophobicContact CB-CD2 4.12Å
408H90.1Very high92.8Very high25 Ų2517 Ų1712%0.1169%0.089CC..THydrogen-bonded Turntrans-108.82-174-51.998000113.1D406 H429 G430 P530D406-H408 PolarHBondContact O-N 2.81Å; D406-H408 PolarHBondContact OD1-N 3.05Å; D406-H408 IonicContact OD1-ND1 3.26Å; H408-H429 WeakPolarHBondContact NE2-CA 3.41Å; H408-G430 PolarHBondContact CD2-N 3.05Å; H408-G430 PolarHBondContact NE2-N 2.97Å; H408-P530 HydrophobicContact CB-CB 4.16Å
409H89.3Confident92.6Very high11 Ų1119 Ų195%0.05110%0.096CC..  trans-114.8167-178.1-165.469.2000112.4Y401 R402 D406 Q831 R835Y401-H409 HydrophobicContact CE1-CB 4.29Å; R402-H409 WeakPolarHBondContact CG-O 3.38Å; D406-H409 HydrophobicContact CB-CB 4.02Å; D406-H409 PolarHBondContact O-N 3.2Å; H409-Q831 PolarHBondContact CD2-NE2 3.32Å; H409-R835 PolarHBondContact CE1-NH1 3.27Å
410Y91.8Very high92.4Very high7 Ų719.9 Ų19.93%0.02710%0.101CC..  trans-142.7143.9171.759.6-91000110.9D398 H413 A416 V420 V421 E424 R835D398-Y410 VanDerWaalsContact OD1-CA 3.23Å; D398-Y410 WeakPolarHBondContact OD1-CA 3.45Å; D398-Y410 WeakPolarHBondContact OD1-CB 3.27Å; Y410-H413 HydrophobicContact CE2-CB 3.99Å; Y410-A416 HydrophobicContact CD1-CB 4.05Å; Y410-A416 HydrophobicContact CD2-CB 3.47Å; Y410-A416 VanDerWaalsContact CD2-CB 3.47Å; Y410-A416 HydrophobicContact CE1-CB 4.4Å; Y410-A416 HydrophobicContact CE2-CB 3.89Å; Y410-A416 HydrophobicContact CG-CB 3.58Å; Y410-V420 HydrophobicContact CD1-CG1 4.03Å; Y410-V421 HydrophobicContact CD1-CG2 4.48Å; Y410-V421 HydrophobicContact CE1-CG2 4Å; Y410-E424 WeakPolarHBondContact CE1-OE2 3.38Å; Y410-E424 VanDerWaalsContact CZ-OE2 3.32Å; Y410-E424 PolarHBondContact OH-OE2 3.18Å; Y410-R835 PolarHBondContact O-NH1 3.38Å; Y410-R835 VanDerWaalsContact OH-CZ 3.31Å; Y410-R835 PolarHBondContact OH-NH2 3.38Å
411L89.6Confident92.2Very high1 Ų121.8 Ų21.81%0.00511%0.113CC..SBendtrans-82.3-28.2-173.2-66.3177.1000113.2I360 I361 I363 D398 Y401I360-L411 HydrophobicContact CB-CD1 4.06Å; I360-L411 HydrophobicContact CB-CD2 4.35Å; I360-L411 HydrophobicContact CD1-CD1 4.2Å; I360-L411 HydrophobicContact CG2-CD1 3.73Å; I360-L411 HydrophobicContact CG2-CD2 4Å; I360-L411 HydrophobicContact CG2-CG 4.45Å; I361-L411 WeakPolarHBondContact O-CD2 3.29Å; I363-L411 HydrophobicContact CD1-CB 4.12Å; I363-L411 HydrophobicContact CD1-CD1 3.79Å; I363-L411 HydrophobicContact CG1-CB 4.18Å; I363-L411 HydrophobicContact CG1-CD1 4.32Å; I363-L411 PolarHBondContact N-O 2.94Å; I363-L411 VanDerWaalsContact N-O 3.13Å; D398-L411 PolarHBondContact OD1-N 2.94Å; Y401-L411 HydrophobicContact CD1-CD1 4.39Å; Y401-L411 HydrophobicContact CD1-CD2 4.09Å; Y401-L411 HydrophobicContact CD1-CG 3.95Å; Y401-L411 HydrophobicContact CD2-CD1 3.77Å; Y401-L411 HydrophobicContact CD2-CD2 3.78Å; Y401-L411 HydrophobicContact CD2-CG 3.98Å; Y401-L411 HydrophobicContact CE1-CD2 4.07Å; Y401-L411 HydrophobicContact CE1-CG 4.4Å; Y401-L411 HydrophobicContact CE2-CD2 3.76Å; Y401-L411 HydrophobicContact CE2-CG 4.44Å; Y401-L411 HydrophobicContact CG-CD1 3.67Å; Y401-L411 HydrophobicContact CG-CD2 3.96Å; Y401-L411 HydrophobicContact CG-CG 3.73Å
412C89.4Confident91.9Very high7 Ų723.6 Ų23.65%0.04712%0.123CC..  trans-145.6125.4-175.9-173.70000110.8I363 I394 E414 V415 A416I363-C412 HydrophobicContact CB-CB 4.24Å; I363-C412 WeakPolarHBondContact O-CB 3.47Å; I363-C412 PolarHBondContact O-SG 3.29Å; I363-C412 VanDerWaalsContact O-SG 3.4Å; I394-C412 HydrophobicContact CG2-CB 3.63Å; C412-E414 PolarHBondContact O-N 2.83Å; C412-V415 HydrophobicContact CB-CG2 4.11Å; C412-V415 PolarHBondContact O-N 3.15Å; C412-A416 PolarHBondContact O-N 2.79Å
413H88.3Confident91.7Very high81 Ų8122.7 Ų22.738%0.37512%0.122SC..G310 helixtrans-68.4-33.8-176.9-177.8-93.2000113.4Y410 V415 A416 K839Y410-H413 HydrophobicContact CE2-CB 3.99Å; H413-V415 PolarHBondContact O-N 2.89Å; H413-A416 PolarHBondContact O-N 3.45Å; H413-A416 VanDerWaalsContact O-N 3.11Å; H413-K839 HydrophobicContact CB-CD 4.41Å; H413-K839 VanDerWaalsContact CB-NZ 3.27Å
414E89.4Confident91.3Very high84 Ų8425.2 Ų25.239%0.39313%0.133SC..G310 helixtrans-62.1-14.7-179.5-71.9-59119.300114N83 I365 R391 C412N83-E414 PolarHBondContact ND2-O 2.93Å; N83-E414 PolarHBondContact OD1-O 3.4Å; I365-E414 HydrophobicContact CG2-CB 3.82Å; I365-E414 HydrophobicContact CG2-CG 3.77Å; R391-E414 IonicContact NH2-OE2 2.75Å; R391-E414 PolarHBondContact NH2-OE2 3.26Å; C412-E414 PolarHBondContact O-N 2.83Å
415V94.3Very high90.9Very high0 Ų028.5 Ų28.50%016%0.161CC..G310 helixtrans-127.15.4175.3-58.10000113.3R391 I394 D398 C412 H413R391-V415 HydrophobicContact CB-CG1 4.06Å; R391-V415 HydrophobicContact CG-CG1 4.22Å; I394-V415 HydrophobicContact CB-CG1 4.31Å; I394-V415 HydrophobicContact CB-CG2 4.14Å; I394-V415 HydrophobicContact CG2-CG1 4.46Å; I394-V415 HydrophobicContact CG2-CG2 3.54Å; D398-V415 HydrophobicContact CB-CG2 4.4Å; C412-V415 HydrophobicContact CB-CG2 4.11Å; C412-V415 PolarHBondContact O-N 3.15Å; H413-V415 PolarHBondContact O-N 2.89Å
416A93.9Very high90.7Very high3 Ų328.9 Ų28.93%0.02516%0.161CC..  trans-64.6133.9-17200000111.2N83 Y410 C412 H413 V421N83-A416 WeakPolarHBondContact CB-O 3.41Å; Y410-A416 HydrophobicContact CD1-CB 4.05Å; Y410-A416 HydrophobicContact CD2-CB 3.47Å; Y410-A416 VanDerWaalsContact CD2-CB 3.47Å; Y410-A416 HydrophobicContact CE1-CB 4.4Å; Y410-A416 HydrophobicContact CE2-CB 3.89Å; Y410-A416 HydrophobicContact CG-CB 3.58Å; C412-A416 PolarHBondContact O-N 2.79Å; H413-A416 PolarHBondContact O-N 3.45Å; H413-A416 VanDerWaalsContact O-N 3.11Å; A416-V421 HydrophobicContact CB-CG2 3.68Å
417P96.6Very high90.4Very high6 Ų631.6 Ų31.64%0.03917%0.174CC..  trans-61.6128.8178-17.227.1000111.8E49 P82 R419 V420 V421E49-P417 VanDerWaalsContact OE1-CB 3.31Å; E49-P417 WeakPolarHBondContact OE1-CB 3.4Å; P82-P417 HydrophobicContact CB-CB 3.95Å; P82-P417 HydrophobicContact CB-CG 4.18Å; P82-P417 HydrophobicContact CG-CB 4.47Å; P82-P417 HydrophobicContact CG-CG 4.16Å; P417-R419 PolarHBondContact O-N 3.15Å; P417-R419 VanDerWaalsContact O-N 3.15Å; P417-V420 HydrophobicContact CB-CB 4.15Å; P417-V420 HydrophobicContact CB-CG2 3.86Å; P417-V420 HydrophobicContact CG-CB 4.31Å; P417-V420 HydrophobicContact CG-CG2 3.91Å; P417-V420 WeakPolarHBondContact O-CA 3.46Å; P417-V420 WeakPolarHBondContact O-CB 3.41Å; P417-V420 PolarHBondContact O-N 3.13Å; P417-V421 PolarHBondContact O-N 3.11Å
418P94.4Very high90.3Very high45 Ų4530.8 Ų30.829%0.29217%0.167SC..Hα-helixtrans-51.7-39.5-179.7-28.633.8000113.5T47 E49 N83 V420 V421 L422T47-P418 HydrophobicContact CG2-CG 4.22Å; E49-P418 WeakPolarHBondContact OE2-CB 3.38Å; E49-P418 VanDerWaalsContact OE2-CD 3.25Å; E49-P418 WeakPolarHBondContact OE2-CD 3.38Å; N83-P418 HydrophobicContact CB-CG 4.11Å; P418-V420 PolarHBondContact O-N 3.02Å; P418-V421 PolarHBondContact O-N 2.82Å; P418-L422 WeakPolarHBondContact O-CB 3.37Å; P418-L422 PolarHBondContact O-N 3.24Å
419R91.9Very high90.5Very high42 Ų4229.6 Ų29.616%0.15816%0.162CC..Hα-helixtrans-66.6-34.7176.9-166.8176.6-165.61374.1113.4E49 P417 S423 W455 Y460E49-R419 WeakPolarHBondContact OE1-CB 3.37Å; E49-R419 WeakPolarHBondContact OE2-CB 3.26Å; E49-R419 PolarHBondContact OE2-N 2.87Å; P417-R419 PolarHBondContact O-N 3.15Å; P417-R419 VanDerWaalsContact O-N 3.15Å; R419-S423 WeakPolarHBondContact O-CB 3.22Å; R419-S423 PolarHBondContact O-N 2.85Å; R419-S423 PolarHBondContact O-OG 3.13Å; R419-W455 HydrophobicContact CG-CZ2 3.79Å; R419-W455 VanDerWaalsContact NH2-CD2 3.26Å; R419-Y460 VanDerWaalsContact CZ-O 3.3Å; R419-Y460 PolarHBondContact NH1-O 3.19Å; R419-Y460 VanDerWaalsContact NH1-O 3.1Å; R419-Y460 PolarHBondContact NH2-O 3.15Å
420V93.4Very high90.6Very high22 Ų2229.6 Ų29.613%0.13317%0.165CC..Hα-helixtrans-70.7-43.6176.1176.90000109.8Y410 P417 P418 L422 S423 E424Y410-V420 HydrophobicContact CD1-CG1 4.03Å; P417-V420 HydrophobicContact CB-CB 4.15Å; P417-V420 HydrophobicContact CB-CG2 3.86Å; P417-V420 HydrophobicContact CG-CB 4.31Å; P417-V420 HydrophobicContact CG-CG2 3.91Å; P417-V420 WeakPolarHBondContact O-CA 3.46Å; P417-V420 WeakPolarHBondContact O-CB 3.41Å; P417-V420 PolarHBondContact O-N 3.13Å; P418-V420 PolarHBondContact O-N 3.02Å; V420-L422 VanDerWaalsContact C-N 3.34Å; V420-L422 PolarHBondContact O-N 3.02Å; V420-S423 WeakPolarHBondContact O-CB 3.35Å; V420-S423 PolarHBondContact O-N 3.15Å; V420-S423 VanDerWaalsContact O-N 3.1Å; V420-E424 PolarHBondContact O-N 2.92Å
421V92.1Very high90.7Very high43 Ų4330.1 Ų30.126%0.26117%0.169SC..Hα-helixtrans-59.1-44.9174178.10000111.1Y410 A416 P417 P418 S423 E424 A425Y410-V421 HydrophobicContact CD1-CG2 4.48Å; Y410-V421 HydrophobicContact CE1-CG2 4Å; A416-V421 HydrophobicContact CB-CG2 3.68Å; P417-V421 PolarHBondContact O-N 3.11Å; P418-V421 PolarHBondContact O-N 2.82Å; V421-S423 VanDerWaalsContact C-N 3.29Å; V421-S423 PolarHBondContact O-N 2.91Å; V421-E424 PolarHBondContact O-N 2.87Å; V421-A425 WeakPolarHBondContact O-CB 3.35Å; V421-A425 PolarHBondContact O-N 3.45Å
422L89.9Confident90.9Very high48 Ų4830.2 Ų30.225%0.25117%0.17SC..Hα-helixtrans-61.2-39.4174.9-178.866.6000111.9P418 V420 N426 W455 F491P418-L422 WeakPolarHBondContact O-CB 3.37Å; P418-L422 PolarHBondContact O-N 3.24Å; V420-L422 VanDerWaalsContact C-N 3.34Å; V420-L422 PolarHBondContact O-N 3.02Å; L422-N426 WeakPolarHBondContact CD1-ND2 3.38Å; L422-N426 WeakPolarHBondContact O-CB 3.34Å; L422-N426 PolarHBondContact O-N 3.41Å; L422-N426 VanDerWaalsContact O-N 3.14Å; L422-N426 PolarHBondContact O-ND2 2.9Å; L422-W455 HydrophobicContact CD2-CH2 4.28Å; L422-W455 HydrophobicContact CD2-CZ2 4.04Å; L422-F491 HydrophobicContact CD1-CZ 4.33Å
423S91.3Very high90.9Very high12 Ų1233.5 Ų33.58%0.08418%0.184CC..Hα-helixtrans-68.5-43179.2-57.80000111.9R419 V420 V421 N426 M427 L428 W455R419-S423 WeakPolarHBondContact O-CB 3.22Å; R419-S423 PolarHBondContact O-N 2.85Å; R419-S423 PolarHBondContact O-OG 3.13Å; V420-S423 WeakPolarHBondContact O-CB 3.35Å; V420-S423 PolarHBondContact O-N 3.15Å; V420-S423 VanDerWaalsContact O-N 3.1Å; V421-S423 VanDerWaalsContact C-N 3.29Å; V421-S423 PolarHBondContact O-N 2.91Å; S423-N426 CarbonylContact O-C 3.59Å; S423-N426 PolarHBondContact O-N 3.22Å; S423-M427 CarbonylContact O-C 3.58Å; S423-M427 WeakPolarHBondContact O-CA 3.49Å; S423-M427 PolarHBondContact O-N 3.2Å; S423-L428 PolarHBondContact O-N 2.93Å; S423-W455 PolarHBondContact OG-NE1 3.15Å
424E86.1Confident90.9Very high56 Ų5633.1 Ų33.126%0.26218%0.183SC..Hα-helixtrans-58.9-48.2174.4-170.2-176.1-136.900110.2Y410 V420 V421 N426 M427 R835Y410-E424 WeakPolarHBondContact CE1-OE2 3.38Å; Y410-E424 VanDerWaalsContact CZ-OE2 3.32Å; Y410-E424 PolarHBondContact OH-OE2 3.18Å; V420-E424 PolarHBondContact O-N 2.92Å; V421-E424 PolarHBondContact O-N 2.87Å; E424-N426 PolarHBondContact O-N 2.92Å; E424-M427 PolarHBondContact O-N 3.4Å; E424-R835 IonicContact OE1-CZ 3.9Å; E424-R835 IonicContact OE1-NH1 3.51Å; E424-R835 PolarHBondContact OE1-NH1 3.28Å; E424-R835 IonicContact OE1-NH2 3.91Å; E424-R835 PolarHBondContact OE1-NH2 2.84Å; E424-R835 IonicContact OE2-NH2 3.72Å; E424-R835 PolarHBondContact OE2-NH2 2.95Å
425A84.8Confident90.9Very high70 Ų7034.4 Ų34.458%0.57919%0.192SC*.Hα-helixtrans-65.5-23.5179.600000114.5V421V421-A425 WeakPolarHBondContact O-CB 3.35Å; V421-A425 PolarHBondContact O-N 3.45Å
426N85.6Confident90.7Very high16 Ų1635.3 Ų35.39%0.08620%0.196CC..THydrogen-bonded Turntrans-113.48.1-177.1-73.9-86.8000113.4L422 S423 E424 L428 S502 V503L422-N426 WeakPolarHBondContact CD1-ND2 3.38Å; L422-N426 WeakPolarHBondContact O-CB 3.34Å; L422-N426 PolarHBondContact O-N 3.41Å; L422-N426 VanDerWaalsContact O-N 3.14Å; L422-N426 PolarHBondContact O-ND2 2.9Å; S423-N426 CarbonylContact O-C 3.59Å; S423-N426 PolarHBondContact O-N 3.22Å; E424-N426 PolarHBondContact O-N 2.92Å; N426-L428 HydrophobicContact CB-CD1 3.97Å; N426-L428 HydrophobicContact CB-CD2 4.17Å; N426-L428 HydrophobicContact CB-CG 3.69Å; N426-L428 PolarHBondContact O-N 3.14Å; N426-S502 WeakPolarHBondContact OD1-CB 3.44Å; N426-V503 HydrophobicContact CB-CB 4.11Å; N426-V503 HydrophobicContact CB-CG2 4.45Å; N426-V503 PolarHBondContact OD1-N 3.42Å
427M83.6Confident90.5Very high65 Ų6535.1 Ų35.132%0.3220%0.195SC..THydrogen-bonded Turntrans53.237.7-177.6-49.1-57.2-82.600114S423 E424 L529S423-M427 CarbonylContact O-C 3.58Å; S423-M427 WeakPolarHBondContact O-CA 3.49Å; S423-M427 PolarHBondContact O-N 3.2Å; E424-M427 PolarHBondContact O-N 3.4Å; M427-L529 HydrophobicContact CB-CD2 3.65Å; M427-L529 HydrophobicContact CE-CB 4.16Å; M427-L529 HydrophobicContact CE-CD1 3.81Å; M427-L529 HydrophobicContact CE-CD2 3.93Å; M427-L529 HydrophobicContact CE-CG 4.18Å; M427-L529 HydrophobicContact CG-CD2 3.97Å
428L90.3Very high90.1Very high2 Ų236.4 Ų36.41%0.0120%0.201CC..  trans-86.9137-178.2-52.7176.8000110.8S423 N426 V453 W455 I463 V503S423-L428 PolarHBondContact O-N 2.93Å; N426-L428 HydrophobicContact CB-CD1 3.97Å; N426-L428 HydrophobicContact CB-CD2 4.17Å; N426-L428 HydrophobicContact CB-CG 3.69Å; N426-L428 PolarHBondContact O-N 3.14Å; L428-V453 HydrophobicContact CD2-CB 3.81Å; L428-V453 HydrophobicContact CD2-CG1 3.44Å; L428-V453 VanDerWaalsContact CD2-CG1 3.44Å; L428-W455 HydrophobicContact CD1-CZ2 4.15Å; L428-I463 HydrophobicContact CD1-CD1 4.13Å; L428-I463 HydrophobicContact CD2-CG2 4.34Å; L428-V503 HydrophobicContact CD2-CB 4.21Å; L428-V503 HydrophobicContact CD2-CG1 3.89Å; L428-V503 HydrophobicContact CD2-CG2 4.35Å
429H93.8Very high89.7Confident0 Ų038.5 Ų38.50%021%0.207CC..BIsolated β-bridgetrans-76.5155.2165.3-60.869.3000110.5H408 M432 K440 V453 R454 W455 C528 P530H408-H429 WeakPolarHBondContact NE2-CA 3.41Å; H429-M432 HydrophobicContact CB-CG 4.3Å; H429-M432 HydrophobicContact CB-SD 3.69Å; H429-M432 PolarHBondContact CD2-SD 3.43Å; H429-K440 PolarHBondContact NE2-NZ 3.34Å; H429-V453 PolarHBondContact N-O 2.82Å; H429-V453 PolarHBondContact ND1-O 3.3Å; H429-V453 VanDerWaalsContact ND1-O 3.07Å; H429-R454 HydrophobicContact CB-CB 3.79Å; H429-R454 CarbonylContact O-C 3.58Å; H429-R454 VanDerWaalsContact O-CA 3.32Å; H429-R454 WeakPolarHBondContact O-CA 3.19Å; H429-W455 PolarHBondContact O-N 3.45Å; H429-C528 PolarHBondContact CE1-O 3.43Å; H429-P530 VanDerWaalsContact CE1-CD 3.41Å; H429-P530 WeakPolarHBondContact CE1-CD 3.19Å; H429-P530 VanDerWaalsContact CE1-N 3.35Å; H429-P530 WeakPolarHBondContact NE2-CA 3.38Å
430G93Very high89.5Confident11 Ų1136.6 Ų36.611%0.11320%0.2CC..  trans-63.4-173.3165.400000112.8H408 M432H408-G430 PolarHBondContact CD2-N 3.05Å; H408-G430 PolarHBondContact NE2-N 2.97Å; G430-M432 PolarHBondContact O-N 2.93Å
431P94.1Very high89.2Confident19 Ų1935.6 Ų35.612%0.12319%0.193CC..SBendtrans-71.465-179.430-35.1000112.8P63 A457 N537 L538P63-P431 HydrophobicContact CB-CB 4.15Å; P63-P431 HydrophobicContact CB-CG 4.28Å; P431-A457 HydrophobicContact CB-CB 4.33Å; P431-N537 PolarHBondContact O-ND2 3.12Å; P431-L538 HydrophobicContact CG-CD2 3.84Å
432M91.8Very high88.8Confident2 Ų238.3 Ų38.31%0.0120%0.202CC..  trans-69.2139.8179.6-70178.56600111.4H429 G430 F436 V437 N537 L538H429-M432 HydrophobicContact CB-CG 4.3Å; H429-M432 HydrophobicContact CB-SD 3.69Å; H429-M432 PolarHBondContact CD2-SD 3.43Å; G430-M432 PolarHBondContact O-N 2.93Å; M432-F436 HydrophobicContact CE-CB 3.55Å; M432-V437 HydrophobicContact CB-CG2 4.05Å; M432-N537 WeakPolarHBondContact CA-OD1 3.46Å; M432-L538 HydrophobicContact CG-CD1 3.98Å; M432-L538 HydrophobicContact CG-CG 4.32Å
433H90.7Very high88.2Confident77 Ų7741.9 Ų41.936%0.35621%0.212SC..  trans-70.6155.5174-73.3-171.1000111.7D435 F436 V437 N537H433-D435 PolarHBondContact O-N 3.44Å; H433-F436 HydrophobicContact CB-CD2 4.44Å; H433-F436 PolarHBondContact O-N 2.98Å; H433-F436 VanDerWaalsContact O-N 3.11Å; H433-V437 PolarHBondContact O-N 2.71Å; H433-N537 PolarHBondContact CD2-ND2 3.15Å; H433-N537 PolarHBondContact N-OD1 2.69Å
434E88.8Confident87.4Confident73 Ų7342.4 Ų42.434%0.34121%0.213SC..Hα-helixtrans-57.6-35.1-173.5-56.5-57.616600113.3F436 V437 L438 R454 H479 Q481E434-F436 PolarHBondContact O-N 3.36Å; E434-V437 PolarHBondContact O-N 3.16Å; E434-L438 WeakPolarHBondContact O-CB 3.46Å; E434-L438 PolarHBondContact O-N 3.24Å; E434-R454 IonicContact OE1-CZ 3.88Å; E434-R454 IonicContact OE1-NH2 2.72Å; E434-R454 PolarHBondContact OE1-NH2 3.3Å; E434-R454 IonicContact OE2-NH2 2.79Å; E434-R454 PolarHBondContact OE2-NH2 3.2Å; E434-H479 IonicContact OE2-CD2 3.21Å; E434-H479 IonicContact OE2-CE1 2.78Å; E434-H479 PolarHBondContact OE2-CE1 3.43Å; E434-H479 IonicContact OE2-NE2 2.99Å; E434-H479 PolarHBondContact OE2-NE2 3.09Å; E434-Q481 PolarHBondContact OE1-NE2 3.38Å; E434-Q481 PolarHBondContact OE2-NE2 2.94Å
435D87.9Confident86.4Confident111 Ų11140.6 Ų40.659%0.59421%0.208SC*.Hα-helixtrans-63.4-42179.5-58.5-38.7000112L122 H433 H439L122-D435 HydrophobicContact CD1-CB 3.74Å; L122-D435 VanDerWaalsContact CD1-O 3.25Å; L122-D435 WeakPolarHBondContact CD1-O 3.22Å; H433-D435 PolarHBondContact O-N 3.44Å; D435-H439 VanDerWaalsContact O-CB 3.29Å; D435-H439 WeakPolarHBondContact O-CB 3.25Å; D435-H439 PolarHBondContact O-N 3.2Å
436F90.1Very high85.1Confident18 Ų1840.9 Ų40.98%0.07922%0.217CC..Hα-helixtrans-70.2-37.6177.9-74.9-80.7000112H120 L122 M432 H433 E434 H439 K440 N537H120-F436 HydrophobicContact CB-CZ 4.42Å; H120-F436 WeakPolarHBondContact O-CZ 3.47Å; L122-F436 HydrophobicContact CD1-CB 4.36Å; L122-F436 HydrophobicContact CD1-CD1 3.78Å; L122-F436 HydrophobicContact CD1-CD2 4.24Å; L122-F436 HydrophobicContact CD1-CE1 4.07Å; L122-F436 HydrophobicContact CD1-CE2 4.5Å; L122-F436 HydrophobicContact CD1-CG 3.87Å; L122-F436 HydrophobicContact CD1-CZ 4.43Å; L122-F436 HydrophobicContact CD2-CE1 4.41Å; L122-F436 HydrophobicContact CG-CD1 3.99Å; L122-F436 HydrophobicContact CG-CE1 3.77Å; L122-F436 HydrophobicContact CG-CG 4.46Å; L122-F436 HydrophobicContact CG-CZ 4.07Å; M432-F436 HydrophobicContact CE-CB 3.55Å; H433-F436 HydrophobicContact CB-CD2 4.44Å; H433-F436 PolarHBondContact O-N 2.98Å; H433-F436 VanDerWaalsContact O-N 3.11Å; E434-F436 PolarHBondContact O-N 3.36Å; F436-H439 PolarHBondContact O-N 3.44Å; F436-K440 WeakPolarHBondContact O-CB 3.48Å; F436-K440 PolarHBondContact O-N 3.34Å; F436-N537 HydrophobicContact CD2-CB 4.09Å; F436-N537 HydrophobicContact CE2-CB 3.79Å; F436-N537 VanDerWaalsContact CE2-N 3.34Å
437V90.5Very high83.7Confident0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-60.8-50.4174.6169.70000110.4M432 H433 E434 H439 K440 L441 L452 A466M432-V437 HydrophobicContact CB-CG2 4.05Å; H433-V437 PolarHBondContact O-N 2.71Å; E434-V437 PolarHBondContact O-N 3.16Å; V437-H439 PolarHBondContact O-N 2.95Å; V437-K440 PolarHBondContact O-N 3.4Å; V437-L441 HydrophobicContact CG1-CD1 3.9Å; V437-L441 HydrophobicContact CG1-CG 4.49Å; V437-L441 WeakPolarHBondContact O-CB 3.5Å; V437-L441 VanDerWaalsContact O-CG 3.31Å; V437-L441 WeakPolarHBondContact O-CG 3.44Å; V437-L441 PolarHBondContact O-N 3.23Å; V437-L452 HydrophobicContact CB-CD2 4.43Å; V437-L452 HydrophobicContact CG1-CD1 4.04Å; V437-L452 HydrophobicContact CG1-CD2 3.96Å; V437-L452 HydrophobicContact CG1-CG 4.14Å; V437-L452 HydrophobicContact CG2-CD1 4.24Å; V437-A466 HydrophobicContact CG1-CB 3.72Å
438L88.1Confident82.9Confident32 Ų3247.9 Ų47.917%0.16825%0.249CC..Hα-helixtrans-64-42.7179.5-176.363.6000111.9E434 K440 L441 K442 L468 S477E434-L438 WeakPolarHBondContact O-CB 3.46Å; E434-L438 PolarHBondContact O-N 3.24Å; L438-K440 VanDerWaalsContact C-N 3.34Å; L438-K440 PolarHBondContact O-N 2.89Å; L438-L441 PolarHBondContact O-N 3.37Å; L438-K442 HydrophobicContact CD1-CD 4.47Å; L438-K442 HydrophobicContact CD1-CG 4.45Å; L438-K442 HydrophobicContact CG-CD 4.24Å; L438-K442 WeakPolarHBondContact O-CB 3.37Å; L438-K442 VanDerWaalsContact O-CG 3.31Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 3.12Å; L438-L468 HydrophobicContact CD1-CD1 4.01Å; L438-S477 WeakPolarHBondContact CD2-O 2.98Å
439H86.1Confident82.2Confident90 Ų9048.3 Ų48.342%0.41725%0.254SS..Hα-helixtrans-59.4-44.9176.7178.1-88.9000111.7L122 D435 F436 V437 K442 R443L122-H439 HydrophobicContact CD1-CB 3.87Å; L122-H439 HydrophobicContact CD2-CB 4.24Å; D435-H439 VanDerWaalsContact O-CB 3.29Å; D435-H439 WeakPolarHBondContact O-CB 3.25Å; D435-H439 PolarHBondContact O-N 3.2Å; F436-H439 PolarHBondContact O-N 3.44Å; V437-H439 PolarHBondContact O-N 2.95Å; H439-K442 PolarHBondContact O-N 3.31Å; H439-R443 WeakPolarHBondContact O-CB 3.35Å; H439-R443 PolarHBondContact O-N 3.09Å
440K87.9Confident81.9Confident2 Ų248.5 Ų48.51%0.00926%0.255CS..Hα-helixtrans-65.8-48.5178.6-174.8165.8-169.8159.60112.2H429 F436 V437 L438 K442 R443 E444 L452 C528 L529 E534H429-K440 PolarHBondContact NE2-NZ 3.34Å; F436-K440 WeakPolarHBondContact O-CB 3.48Å; F436-K440 PolarHBondContact O-N 3.34Å; V437-K440 PolarHBondContact O-N 3.4Å; L438-K440 VanDerWaalsContact C-N 3.34Å; L438-K440 PolarHBondContact O-N 2.89Å; K440-K442 VanDerWaalsContact C-N 3.29Å; K440-K442 PolarHBondContact O-N 3.14Å; K440-R443 PolarHBondContact O-N 3.25Å; K440-E444 WeakPolarHBondContact CE-OE1 3.32Å; K440-E444 PolarHBondContact O-N 3.41Å; K440-L452 HydrophobicContact CB-CD2 4.35Å; K440-L452 HydrophobicContact CD-CD2 4.24Å; K440-L452 HydrophobicContact CG-CD2 4.42Å; K440-C528 HydrophobicContact CD-CB 4.41Å; K440-C528 HydrophobicContact CG-CB 4.22Å; K440-L529 WeakPolarHBondContact CE-O 3.48Å; K440-L529 PolarHBondContact NZ-O 3Å; K440-E534 WeakPolarHBondContact CD-OE1 3.47Å; K440-E534 WeakPolarHBondContact CE-OE1 2.95Å; K440-E534 IonicContact NZ-OE1 2.72Å; K440-E534 PolarHBondContact NZ-OE1 3.23Å; K440-E534 IonicContact NZ-OE2 2.8Å; K440-E534 PolarHBondContact NZ-OE2 3.26Å
441L87.6Confident81.8Confident0 Ų048 Ų480%025%0.25CC..Hα-helixtrans-55.4-45.8175.7-72.1172.7000110.6V437 L438 E444 A445 L452 A466 L468 H479V437-L441 HydrophobicContact CG1-CD1 3.9Å; V437-L441 HydrophobicContact CG1-CG 4.49Å; V437-L441 WeakPolarHBondContact O-CB 3.5Å; V437-L441 VanDerWaalsContact O-CG 3.31Å; V437-L441 WeakPolarHBondContact O-CG 3.44Å; V437-L441 PolarHBondContact O-N 3.23Å; L438-L441 PolarHBondContact O-N 3.37Å; L441-E444 PolarHBondContact O-N 3.39Å; L441-A445 WeakPolarHBondContact O-CA 3.48Å; L441-A445 WeakPolarHBondContact O-CB 3.35Å; L441-A445 PolarHBondContact O-N 3.03Å; L441-L452 HydrophobicContact CD2-CB 4.43Å; L441-L452 HydrophobicContact CD2-CD2 4.23Å; L441-L452 HydrophobicContact CD2-CG 4.2Å; L441-L452 HydrophobicContact CG-CD2 4.08Å; L441-L452 HydrophobicContact CG-CG 4.39Å; L441-A466 HydrophobicContact CD1-CB 4.38Å; L441-L468 HydrophobicContact CB-CB 4.37Å; L441-L468 HydrophobicContact CB-CD1 4.25Å; L441-L468 HydrophobicContact CD1-CB 4.47Å; L441-H479 HydrophobicContact CD1-CB 3.89Å
442K83Confident81.7Confident100 Ų10047 Ų4744%0.43524%0.244SC..Hα-helixtrans-63.2-44.8178-76.3178.2178.2-179.60113.6L438 H439 K440 E444 A445L438-K442 HydrophobicContact CD1-CD 4.47Å; L438-K442 HydrophobicContact CD1-CG 4.45Å; L438-K442 HydrophobicContact CG-CD 4.24Å; L438-K442 WeakPolarHBondContact O-CB 3.37Å; L438-K442 VanDerWaalsContact O-CG 3.31Å; L438-K442 WeakPolarHBondContact O-CG 3.46Å; L438-K442 PolarHBondContact O-N 3.12Å; H439-K442 PolarHBondContact O-N 3.31Å; K440-K442 VanDerWaalsContact C-N 3.29Å; K440-K442 PolarHBondContact O-N 3.14Å; K442-E444 PolarHBondContact O-N 3.1Å; K442-A445 PolarHBondContact O-N 3.46Å
443R77.7Confident81.8Confident123 Ų12347.1 Ų47.146%0.46425%0.245SC..Hα-helixtrans-62.4-34.1-179.6-174.5-177.466.5-161.1-5.1111.8H439 K440 E534H439-R443 WeakPolarHBondContact O-CB 3.35Å; H439-R443 PolarHBondContact O-N 3.09Å; K440-R443 PolarHBondContact O-N 3.25Å; R443-E534 IonicContact NH2-OE1 3.58Å; R443-E534 PolarHBondContact NH2-OE1 2.85Å; R443-E534 VanDerWaalsContact NH2-OE1 3.13Å
444E73.8Confident82Confident23 Ų2343.6 Ų43.611%0.10723%0.228CC..Hα-helixtrans-102.2-2.3-174.4-62.3-179.4-157.300112.9K440 L441 K442 G446 C528 R531K440-E444 WeakPolarHBondContact CE-OE1 3.32Å; K440-E444 PolarHBondContact O-N 3.41Å; L441-E444 PolarHBondContact O-N 3.39Å; K442-E444 PolarHBondContact O-N 3.1Å; E444-G446 PolarHBondContact O-N 3.23Å; E444-C528 VanDerWaalsContact CB-SG 3.59Å; E444-C528 WeakPolarHBondContact OE2-CA 3.17Å; E444-C528 WeakPolarHBondContact OE2-CB 3.46Å; E444-C528 PolarHBondContact OE2-SG 2.77Å; E444-R531 VanDerWaalsContact CD-NH2 3.29Å; E444-R531 IonicContact OE1-CZ 3.7Å; E444-R531 IonicContact OE1-NE 3.96Å; E444-R531 PolarHBondContact OE1-NE 2.82Å; E444-R531 IonicContact OE1-NH2 3.7Å; E444-R531 PolarHBondContact OE1-NH2 3.42Å; E444-R531 IonicContact OE2-NH2 3.76Å
445A64.5Low82.3Confident18 Ų1840.6 Ų40.615%0.14921%0.214CC..  trans-80.844.7-17900000114.6L441 K442 E447 A450 L468 R470L441-A445 WeakPolarHBondContact O-CA 3.48Å; L441-A445 WeakPolarHBondContact O-CB 3.35Å; L441-A445 PolarHBondContact O-N 3.03Å; K442-A445 PolarHBondContact O-N 3.46Å; A445-E447 PolarHBondContact O-N 3.05Å; A445-A450 HydrophobicContact CB-CB 4.24Å; A445-L468 HydrophobicContact CB-CD2 3.44Å; A445-L468 VanDerWaalsContact CB-CD2 3.44Å; A445-R470 PolarHBondContact O-NH2 3.42Å; A445-R470 VanDerWaalsContact O-NH2 3.1Å
446G58.4Low82.5Confident76 Ų7635.9 Ų35.978%0.78419%0.19SC*.SBendtrans-61.7-21.916600000112.9E444E444-G446 PolarHBondContact O-N 3.23Å
447E56.2Low82.6Confident114 Ų11436 Ų3653%0.53319%0.194SC..SBendtrans-126.7154.8-175.6-68.3168.7-16600111.6A445 R470A445-E447 PolarHBondContact O-N 3.05Å; E447-R470 PolarHBondContact O-NH2 3.33Å
448E65.9Low82.6Confident114 Ų11443.4 Ų43.453%0.53323%0.232SC..THydrogen-bonded Turntrans-69.3136.6175.4-164.7-179172.500110.9R525E448-R525 WeakPolarHBondContact O-CD 3.33Å
449G76.7Confident82.7Confident12 Ų1243.9 Ų43.912%0.12424%0.235CC..THydrogen-bonded Turntrans86.327.9178.400000116T523 R525 K526G449-T523 WeakPolarHBondContact CA-O 3.32Å; G449-R525 PolarHBondContact O-N 2.84Å; G449-K526 PolarHBondContact O-N 2.97Å
450A86.1Confident82.9Confident3 Ų340.1 Ų40.13%0.02522%0.217CC..EExtended strand (participates in β ladder)trans-66.4133169.200000111.4A445 L468 K526A445-A450 HydrophobicContact CB-CB 4.24Å; A450-L468 PolarHBondContact O-N 3.29Å; A450-K526 WeakPolarHBondContact CA-O 3.43Å
451F90.8Very high83Confident0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-142.7162.7-179.473.6-82.7000111.6V453 L465 A466 V467 T507 V524 K526 C527 C528F451-V453 HydrophobicContact CD2-CG2 4.28Å; F451-V453 HydrophobicContact CE2-CG2 4.16Å; F451-L465 HydrophobicContact CB-CD1 4.25Å; F451-L465 HydrophobicContact CD2-CD1 3.31Å; F451-L465 HydrophobicContact CE2-CD1 3.92Å; F451-L465 HydrophobicContact CG-CD1 4.1Å; F451-A466 CarbonylContact C-O 3.58Å; F451-A466 WeakPolarHBondContact CA-O 3.41Å; F451-A466 WeakPolarHBondContact CB-O 3.31Å; F451-V467 HydrophobicContact CB-CG2 4.06Å; F451-T507 HydrophobicContact CE2-CG2 3.94Å; F451-V524 HydrophobicContact CD1-CB 4.23Å; F451-V524 HydrophobicContact CD1-CG1 3.28Å; F451-V524 HydrophobicContact CD2-CG1 4.14Å; F451-V524 HydrophobicContact CE1-CB 4.39Å; F451-V524 HydrophobicContact CE1-CG1 3.15Å; F451-V524 HydrophobicContact CE2-CG1 4.02Å; F451-V524 HydrophobicContact CG-CG1 3.76Å; F451-V524 HydrophobicContact CZ-CG1 3.52Å; F451-K526 VanDerWaalsContact CD1-C 3.42Å; F451-K526 WeakPolarHBondContact CD1-O 3.48Å; F451-K526 PolarHBondContact N-O 2.89Å; F451-C527 HydrophobicContact CD2-CB 4.46Å; F451-C527 HydrophobicContact CE1-CB 3.85Å; F451-C527 VanDerWaalsContact CE1-N 3.33Å; F451-C527 HydrophobicContact CE2-CB 3.8Å; F451-C527 HydrophobicContact CZ-CB 3.46Å; F451-C527 VanDerWaalsContact CZ-CB 3.46Å; F451-C527 CarbonylContact O-C 3.52Å; F451-C527 WeakPolarHBondContact O-CA 3.5Å; F451-C528 PolarHBondContact O-N 2.96Å
452L92.6Very high83.1Confident0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-140.2159.1166.967.479.1000111V437 K440 L441 R454 A466 C528V437-L452 HydrophobicContact CB-CD2 4.43Å; V437-L452 HydrophobicContact CG1-CD1 4.04Å; V437-L452 HydrophobicContact CG1-CD2 3.96Å; V437-L452 HydrophobicContact CG1-CG 4.14Å; V437-L452 HydrophobicContact CG2-CD1 4.24Å; K440-L452 HydrophobicContact CB-CD2 4.35Å; K440-L452 HydrophobicContact CD-CD2 4.24Å; K440-L452 HydrophobicContact CG-CD2 4.42Å; L441-L452 HydrophobicContact CD2-CB 4.43Å; L441-L452 HydrophobicContact CD2-CD2 4.23Å; L441-L452 HydrophobicContact CD2-CG 4.2Å; L441-L452 HydrophobicContact CG-CD2 4.08Å; L441-L452 HydrophobicContact CG-CG 4.39Å; L452-R454 HydrophobicContact CD1-CB 4.17Å; L452-R454 HydrophobicContact CD1-CG 4.18Å; L452-A466 HydrophobicContact CD1-CB 4.12Å; L452-A466 HydrophobicContact CG-CB 4.3Å; L452-A466 PolarHBondContact N-O 2.8Å; L452-A466 PolarHBondContact O-N 3.29Å; L452-C528 HydrophobicContact CB-CB 4.13Å
453V94.1Very high83.7Confident4 Ų444.3 Ų44.32%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-118136.4175.5-163.70000109.7L428 H429 F451 I463 I464 L465 I484 V503 T507L428-V453 HydrophobicContact CD2-CB 3.81Å; L428-V453 HydrophobicContact CD2-CG1 3.44Å; L428-V453 VanDerWaalsContact CD2-CG1 3.44Å; H429-V453 PolarHBondContact N-O 2.82Å; H429-V453 PolarHBondContact ND1-O 3.3Å; H429-V453 VanDerWaalsContact ND1-O 3.07Å; F451-V453 HydrophobicContact CD2-CG2 4.28Å; F451-V453 HydrophobicContact CE2-CG2 4.16Å; V453-I463 HydrophobicContact CG1-CG2 3.38Å; V453-I464 WeakPolarHBondContact CA-O 3.38Å; V453-L465 HydrophobicContact CG2-CD1 3.77Å; V453-I484 HydrophobicContact CG1-CD1 4.41Å; V453-V503 HydrophobicContact CG1-CG1 4.05Å; V453-T507 HydrophobicContact CG2-CG2 3.84Å
454R94.9Very high84.5Confident3 Ų338.7 Ų38.71%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-146.3160.5-177.966.4173.7176.187.1-7.9112.6H429 E434 L452 I464H429-R454 HydrophobicContact CB-CB 3.79Å; H429-R454 CarbonylContact O-C 3.58Å; H429-R454 VanDerWaalsContact O-CA 3.32Å; H429-R454 WeakPolarHBondContact O-CA 3.19Å; E434-R454 IonicContact OE1-CZ 3.88Å; E434-R454 IonicContact OE1-NH2 2.72Å; E434-R454 PolarHBondContact OE1-NH2 3.3Å; E434-R454 IonicContact OE2-NH2 2.79Å; E434-R454 PolarHBondContact OE2-NH2 3.2Å; L452-R454 HydrophobicContact CD1-CB 4.17Å; L452-R454 HydrophobicContact CD1-CG 4.18Å; R454-I464 HydrophobicContact CG-CB 4.12Å; R454-I464 PolarHBondContact N-O 3.49Å; R454-I464 PolarHBondContact O-N 3.13Å
455W95.1Very high85.5Confident10 Ų1037.6 Ų37.64%0.03821%0.209CC..EExtended strand (participates in β ladder)trans-67.4148.8163.2-68.8105.1000111.7R419 L422 S423 L428 H429 I463R419-W455 HydrophobicContact CG-CZ2 3.79Å; R419-W455 VanDerWaalsContact NH2-CD2 3.26Å; L422-W455 HydrophobicContact CD2-CH2 4.28Å; L422-W455 HydrophobicContact CD2-CZ2 4.04Å; S423-W455 PolarHBondContact OG-NE1 3.15Å; L428-W455 HydrophobicContact CD1-CZ2 4.15Å; H429-W455 PolarHBondContact O-N 3.45Å; W455-I463 HydrophobicContact CD2-CG1 4.16Å; W455-I463 HydrophobicContact CE3-CD1 4.35Å; W455-I463 HydrophobicContact CE3-CG1 3.48Å; W455-I463 VanDerWaalsContact CE3-CG1 3.48Å; W455-I463 HydrophobicContact CH2-CD1 3.93Å; W455-I463 HydrophobicContact CH2-CG1 3.95Å; W455-I463 HydrophobicContact CZ2-CD1 4.41Å; W455-I463 HydrophobicContact CZ2-CG1 4.49Å; W455-I463 HydrophobicContact CZ3-CD1 3.89Å; W455-I463 HydrophobicContact CZ3-CG1 3.39Å
456S93.3Very high86.8Confident12 Ų1236.8 Ų36.88%0.08420%0.202CC..  trans-64.8139.1172.6174.80000110.5L458 D459 R462S456-L458 PolarHBondContact O-N 3.37Å; S456-L458 PolarHBondContact OG-N 3.4Å; S456-D459 WeakPolarHBondContact CB-O 3.32Å; S456-D459 PolarHBondContact OG-N 3.43Å; S456-D459 VanDerWaalsContact OG-N 3.17Å; S456-R462 VanDerWaalsContact CB-O 3.3Å; S456-R462 WeakPolarHBondContact CB-O 3.44Å; S456-R462 PolarHBondContact N-O 2.88Å
457A91.1Very high88.4Confident20 Ų2033.2 Ų33.217%0.16517%0.165CC..SBendtrans-78.1-6.8174.900000112.9P63 P431P63-A457 WeakPolarHBondContact CD-O 3.41Å; P431-A457 HydrophobicContact CB-CB 4.33Å
458L89.9Confident89.8Confident155 Ų15529 Ų2981%0.81215%0.147SC*.SBendtrans-125.6-14.7-172.7-59.4176.6000114S456S456-L458 PolarHBondContact O-N 3.37Å; S456-L458 PolarHBondContact OG-N 3.4Å
459D90.9Very high90.4Very high43 Ų4324.8 Ų24.823%0.2313%0.127CC..  trans-141121.6-169.9-179.8-27.8000109.4S456 H461 R462S456-D459 WeakPolarHBondContact CB-O 3.32Å; S456-D459 PolarHBondContact OG-N 3.43Å; S456-D459 VanDerWaalsContact OG-N 3.17Å; D459-H461 PolarHBondContact O-N 3.18Å; D459-H461 PolarHBondContact OD1-N 3.13Å; D459-R462 HydrophobicContact CB-CB 3.93Å; D459-R462 PolarHBondContact OD1-N 2.89Å; D459-R462 IonicContact OD2-CZ 3.52Å; D459-R462 IonicContact OD2-NE 2.77Å; D459-R462 PolarHBondContact OD2-NE 2.92Å; D459-R462 IonicContact OD2-NH2 3.2Å; D459-R462 PolarHBondContact OD2-NH2 3.21Å
460Y90.3Very high90Very high10 Ų1030.8 Ų30.84%0.03915%0.146CC..THydrogen-bonded Turntrans-70.8-14.8-176.3-73.5-87.6000114.1I53 A56 E57 I61 T62 P63 H66 R419I53-Y460 HydrophobicContact CB-CD1 4.44Å; I53-Y460 HydrophobicContact CG1-CD1 4.03Å; I53-Y460 HydrophobicContact CG1-CE1 4.39Å; I53-Y460 HydrophobicContact CG2-CD1 3.81Å; I53-Y460 HydrophobicContact CG2-CD2 4.45Å; I53-Y460 HydrophobicContact CG2-CG 3.76Å; A56-Y460 HydrophobicContact CB-CE2 4.3Å; A56-Y460 WeakPolarHBondContact CB-OH 3.39Å; E57-Y460 HydrophobicContact CG-CD2 3.53Å; E57-Y460 HydrophobicContact CG-CE2 3.93Å; E57-Y460 HydrophobicContact CG-CG 4.35Å; I61-Y460 PolarHBondContact O-OH 2.83Å; T62-Y460 PolarHBondContact O-OH 2.82Å; P63-Y460 HydrophobicContact CB-CD1 4.41Å; P63-Y460 HydrophobicContact CB-CE1 4.09Å; P63-Y460 HydrophobicContact CG-CD1 4.22Å; P63-Y460 HydrophobicContact CG-CD2 4.13Å; P63-Y460 HydrophobicContact CG-CE1 4.07Å; P63-Y460 HydrophobicContact CG-CE2 3.96Å; P63-Y460 HydrophobicContact CG-CG 4.25Å; H66-Y460 HydrophobicContact CB-CE1 3.81Å; H66-Y460 WeakPolarHBondContact CB-OH 3.32Å; H66-Y460 AromaticContact CG-CE1 3.81Å; R419-Y460 VanDerWaalsContact CZ-O 3.3Å; R419-Y460 PolarHBondContact NH1-O 3.19Å; R419-Y460 VanDerWaalsContact NH1-O 3.1Å; R419-Y460 PolarHBondContact NH2-O 3.15Å
461H90.2Very high88.8Confident114 Ų11434.5 Ų34.553%0.52817%0.166SC..THydrogen-bonded Turntrans-113.210.9-174.3-60.2-61.6000112.8E57 D459E57-H461 IonicContact OE1-CD2 3.39Å; E57-H461 PolarHBondContact OE1-CD2 3.45Å; E57-H461 IonicContact OE1-NE2 3.72Å; E57-H461 PolarHBondContact OE1-NE2 3.25Å; E57-H461 IonicContact OE2-NE2 2.73Å; D459-H461 PolarHBondContact O-N 3.18Å; D459-H461 PolarHBondContact OD1-N 3.13Å
462R90.4Very high87Confident77 Ų7743.8 Ų43.829%0.29121%0.209SC..EExtended strand (participates in β ladder)trans-118.2130.7-175.2-166.6177.9-55.4-170.63112.9S456 D459 I464S456-R462 VanDerWaalsContact CB-O 3.3Å; S456-R462 WeakPolarHBondContact CB-O 3.44Å; S456-R462 PolarHBondContact N-O 2.88Å; D459-R462 HydrophobicContact CB-CB 3.93Å; D459-R462 PolarHBondContact OD1-N 2.89Å; D459-R462 IonicContact OD2-CZ 3.52Å; D459-R462 IonicContact OD2-NE 2.77Å; D459-R462 PolarHBondContact OD2-NE 2.92Å; D459-R462 IonicContact OD2-NH2 3.2Å; D459-R462 PolarHBondContact OD2-NH2 3.21Å; R462-I464 HydrophobicContact CG-CD1 3.89Å
463I94.9Very high84.9Confident0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-103.7141.3170.4-61.8171.1000108.3L428 V453 W455 I484 F491 V503L428-I463 HydrophobicContact CD1-CD1 4.13Å; L428-I463 HydrophobicContact CD2-CG2 4.34Å; V453-I463 HydrophobicContact CG1-CG2 3.38Å; W455-I463 HydrophobicContact CD2-CG1 4.16Å; W455-I463 HydrophobicContact CE3-CD1 4.35Å; W455-I463 HydrophobicContact CE3-CG1 3.48Å; W455-I463 VanDerWaalsContact CE3-CG1 3.48Å; W455-I463 HydrophobicContact CH2-CD1 3.93Å; W455-I463 HydrophobicContact CH2-CG1 3.95Å; W455-I463 HydrophobicContact CZ2-CD1 4.41Å; W455-I463 HydrophobicContact CZ2-CG1 4.49Å; W455-I463 HydrophobicContact CZ3-CD1 3.89Å; W455-I463 HydrophobicContact CZ3-CG1 3.39Å; I463-I484 HydrophobicContact CB-CB 3.96Å; I463-I484 HydrophobicContact CB-CG2 4.35Å; I463-I484 HydrophobicContact CG2-CB 4.15Å; I463-I484 HydrophobicContact CG2-CD1 4.3Å; I463-I484 PolarHBondContact N-O 3.48Å; I463-I484 PolarHBondContact O-N 3.09Å; I463-F491 HydrophobicContact CD1-CD1 4.15Å; I463-F491 HydrophobicContact CD1-CE1 3.96Å; I463-V503 HydrophobicContact CD1-CG2 3.98Å
464I95Very high82.8Confident5 Ų554.9 Ų54.93%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-119.5123.4-176.6-55.7-63.3000109.4V453 R454 R462 Q481 R483V453-I464 WeakPolarHBondContact CA-O 3.38Å; R454-I464 HydrophobicContact CG-CB 4.12Å; R454-I464 PolarHBondContact N-O 3.49Å; R454-I464 PolarHBondContact O-N 3.13Å; R462-I464 HydrophobicContact CG-CD1 3.89Å; I464-Q481 HydrophobicContact CG2-CB 3.87Å; I464-Q481 HydrophobicContact CG2-CG 3.87Å; I464-R483 HydrophobicContact CD1-CG 4.14Å
465L94.2Very high80.9Confident0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-91114.8164.9174.374.1000108.3F451 V453 V467 Q481 F482 I484 M493 L510 L515F451-L465 HydrophobicContact CB-CD1 4.25Å; F451-L465 HydrophobicContact CD2-CD1 3.31Å; F451-L465 HydrophobicContact CE2-CD1 3.92Å; F451-L465 HydrophobicContact CG-CD1 4.1Å; V453-L465 HydrophobicContact CG2-CD1 3.77Å; L465-V467 HydrophobicContact CD2-CG2 4.32Å; L465-V467 HydrophobicContact CG-CG2 4.14Å; L465-Q481 CarbonylContact O-C 3.5Å; L465-Q481 WeakPolarHBondContact O-CA 3.47Å; L465-F482 HydrophobicContact CB-CB 4.21Å; L465-F482 HydrophobicContact CD2-CB 4.26Å; L465-F482 HydrophobicContact CD2-CD2 4.24Å; L465-F482 PolarHBondContact N-O 2.7Å; L465-F482 PolarHBondContact O-N 3.35Å; L465-I484 HydrophobicContact CB-CD1 4.14Å; L465-M493 HydrophobicContact CD2-CE 3.47Å; L465-M493 VanDerWaalsContact CD2-CE 3.47Å; L465-L510 HydrophobicContact CD2-CD1 3.76Å; L465-L515 HydrophobicContact CD2-CD1 4.02Å
466A92.8Very high79.2Confident0 Ų067 Ų670%035%0.352CS..EExtended strand (participates in β ladder)trans-104.2122.6178.200000110.4V437 L441 F451 L452 K480V437-A466 HydrophobicContact CG1-CB 3.72Å; L441-A466 HydrophobicContact CD1-CB 4.38Å; F451-A466 CarbonylContact C-O 3.58Å; F451-A466 WeakPolarHBondContact CA-O 3.41Å; F451-A466 WeakPolarHBondContact CB-O 3.31Å; L452-A466 HydrophobicContact CD1-CB 4.12Å; L452-A466 HydrophobicContact CG-CB 4.3Å; L452-A466 PolarHBondContact N-O 2.8Å; L452-A466 PolarHBondContact O-N 3.29Å; A466-K480 CarbonylContact C-O 3.5Å; A466-K480 WeakPolarHBondContact CA-O 3.3Å
467V90.6Very high77.9Confident2 Ų269.2 Ų69.21%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-118.3131.3-179.1-171.60000109.6F451 L465 N469 H479 K480 F482 F522 V524F451-V467 HydrophobicContact CB-CG2 4.06Å; L465-V467 HydrophobicContact CD2-CG2 4.32Å; L465-V467 HydrophobicContact CG-CG2 4.14Å; V467-N469 PolarHBondContact O-N 3.23Å; V467-H479 CarbonylContact O-C 3.52Å; V467-H479 VanDerWaalsContact O-CA 3.24Å; V467-H479 WeakPolarHBondContact O-CA 3.35Å; V467-H479 VanDerWaalsContact O-CB 3.29Å; V467-H479 WeakPolarHBondContact O-CB 3.38Å; V467-K480 PolarHBondContact N-O 2.94Å; V467-K480 PolarHBondContact O-N 3.29Å; V467-F482 HydrophobicContact CB-CE2 4.37Å; V467-F482 HydrophobicContact CG2-CD2 4.05Å; V467-F482 HydrophobicContact CG2-CE2 3.91Å; V467-F522 HydrophobicContact CG1-CB 4.2Å; V467-F522 HydrophobicContact CG1-CD1 4.32Å; V467-V524 HydrophobicContact CG2-CG2 4.21Å
468L85.8Confident77.2Confident26 Ų2670.7 Ų70.714%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-65.1131.8-179.4-175.465.9000111L438 L441 A445 A450L438-L468 HydrophobicContact CD1-CD1 4.01Å; L441-L468 HydrophobicContact CB-CB 4.37Å; L441-L468 HydrophobicContact CB-CD1 4.25Å; L441-L468 HydrophobicContact CD1-CB 4.47Å; A445-L468 HydrophobicContact CB-CD2 3.44Å; A445-L468 VanDerWaalsContact CB-CD2 3.44Å; A450-L468 PolarHBondContact O-N 3.29Å
469N78.5Confident76.9Confident24 Ų2465 Ų6513%0.12835%0.345CS..EExtended strand (participates in β ladder)trans-97.5119174.3-169.44.9000110.4V467 N471 C478 F522V467-N469 PolarHBondContact O-N 3.23Å; N469-N471 VanDerWaalsContact CG-OD1 3.28Å; N469-N471 PolarHBondContact ND2-OD1 3Å; N469-N471 PolarHBondContact OD1-OD1 3.48Å; N469-N471 VanDerWaalsContact OD1-OD1 3.13Å; N469-C478 WeakPolarHBondContact CA-O 3.43Å; N469-C478 VanDerWaalsContact CB-O 3.27Å; N469-C478 WeakPolarHBondContact CB-O 3.43Å; N469-C478 PolarHBondContact N-O 3.25Å; N469-F522 HydrophobicContact CB-CE1 4.09Å
470R69Low76.8Confident138 Ų13866.6 Ų66.652%0.52135%0.35SS..  trans-9883.8173.3-68.9-175.8177-173.8-2108.5A445 E447A445-R470 PolarHBondContact O-NH2 3.42Å; A445-R470 VanDerWaalsContact O-NH2 3.1Å; E447-R470 PolarHBondContact O-NH2 3.33Å
471N59.5Low76.8Confident81 Ų8169.8 Ų69.843%0.43337%0.366SS..  trans-70.8131.1171.4-74.1-8.6000109.9N469 N473N469-N471 VanDerWaalsContact CG-OD1 3.28Å; N469-N471 PolarHBondContact ND2-OD1 3Å; N469-N471 PolarHBondContact OD1-OD1 3.48Å; N469-N471 VanDerWaalsContact OD1-OD1 3.13Å; N471-N473 PolarHBondContact O-N 3.33Å
472E53.3Low77Confident195 Ų19565.6 Ų65.691%0.91135%0.346SS*.SBendtrans-71.8-11177.9-65.6-176.3159.200113.7
473N48.1Very low77.1Confident144 Ų14467.3 Ų67.377%0.7735%0.352SS*.SBendtrans-113.883.8-175.3-72.9-15.3000112.2N471 S475N471-N473 PolarHBondContact O-N 3.33Å; N473-S475 PolarHBondContact O-N 3.28Å
474G50.5Low77Confident94 Ų9467.3 Ų67.397%0.96935%0.352SS*.SBendtrans46.6-0.7152.600000122
475S55.4Low76.7Confident68 Ų6870.8 Ų70.848%0.47637%0.368SS..SBendtrans-86.8155.1-176.971.30000110.8N473 S477N473-S475 PolarHBondContact O-N 3.28Å; S475-S477 PolarHBondContact O-N 3.19Å; S475-S477 VanDerWaalsContact O-N 3.15Å
476K59.5Low76.3Confident200 Ų20074.7 Ų74.787%0.8739%0.386SS*.PPolyproline II helixtrans-48.6122.2174.4-79.4-179.1176.2178.60110.1C478K476-C478 PolarHBondContact O-N 3.2Å
477S65.5Low75.7Confident57 Ų5780 Ų8040%0.39941%0.409SS..PPolyproline II helixtrans-55.9131.2178.3-25.10000110.2L438 S475L438-S477 WeakPolarHBondContact CD2-O 2.98Å; S475-S477 PolarHBondContact O-N 3.19Å; S475-S477 VanDerWaalsContact O-N 3.15Å
478C75.8Confident75.2Confident52 Ų5283 Ų8335%0.35144%0.441SS..EExtended strand (participates in β ladder)trans-121.4174.6177.165.10000110.2N469 K476N469-C478 WeakPolarHBondContact CA-O 3.43Å; N469-C478 VanDerWaalsContact CB-O 3.27Å; N469-C478 WeakPolarHBondContact CB-O 3.43Å; N469-C478 PolarHBondContact N-O 3.25Å; K476-C478 PolarHBondContact O-N 3.2Å
479H83.8Confident75Confident34 Ų3486.6 Ų86.616%0.15747%0.469CS..EExtended strand (participates in β ladder)trans-123.7151.6170.859.7-79.2000110.3E434 L441 V467E434-H479 IonicContact OE2-CD2 3.21Å; E434-H479 IonicContact OE2-CE1 2.78Å; E434-H479 PolarHBondContact OE2-CE1 3.43Å; E434-H479 IonicContact OE2-NE2 2.99Å; E434-H479 PolarHBondContact OE2-NE2 3.09Å; L441-H479 HydrophobicContact CD1-CB 3.89Å; V467-H479 CarbonylContact O-C 3.52Å; V467-H479 VanDerWaalsContact O-CA 3.24Å; V467-H479 WeakPolarHBondContact O-CA 3.35Å; V467-H479 VanDerWaalsContact O-CB 3.29Å; V467-H479 WeakPolarHBondContact O-CB 3.38Å
480K89.1Confident75.5Confident78 Ų7887.2 Ų87.234%0.33947%0.473SS..EExtended strand (participates in β ladder)trans-96.6145.6173.6-166.767.4177.4-161.40110A466 V467 F482 S517 F522A466-K480 CarbonylContact C-O 3.5Å; A466-K480 WeakPolarHBondContact CA-O 3.3Å; V467-K480 PolarHBondContact N-O 2.94Å; V467-K480 PolarHBondContact O-N 3.29Å; K480-F482 HydrophobicContact CB-CE2 4.27Å; K480-F482 HydrophobicContact CG-CE2 4.02Å; K480-F482 HydrophobicContact CG-CZ 4.02Å; K480-S517 WeakPolarHBondContact CE-OG 3.19Å; K480-S517 PolarHBondContact NZ-OG 2.78Å; K480-F522 HydrophobicContact CB-CD1 4.46Å; K480-F522 HydrophobicContact CB-CE1 3.91Å; K480-F522 HydrophobicContact CB-CE2 4.39Å; K480-F522 HydrophobicContact CB-CZ 3.88Å; K480-F522 HydrophobicContact CG-CE2 4.16Å; K480-F522 HydrophobicContact CG-CZ 4.04Å
481Q91.6Very high76.5Confident77 Ų7781 Ų8136%0.3645%0.45SS..EExtended strand (participates in β ladder)trans-114.1131.3-180-63.5-178.32.800111E434 I464 L465E434-Q481 PolarHBondContact OE1-NE2 3.38Å; E434-Q481 PolarHBondContact OE2-NE2 2.94Å; I464-Q481 HydrophobicContact CG2-CB 3.87Å; I464-Q481 HydrophobicContact CG2-CG 3.87Å; L465-Q481 CarbonylContact O-C 3.5Å; L465-Q481 WeakPolarHBondContact O-CA 3.47Å
482F92.5Very high78Confident26 Ų2677.5 Ų77.511%0.11443%0.431CS..EExtended strand (participates in β ladder)trans-115.9142.8170.4-56.5-91.5000108.8L465 V467 K480 M493 L515 F522L465-F482 HydrophobicContact CB-CB 4.21Å; L465-F482 HydrophobicContact CD2-CB 4.26Å; L465-F482 HydrophobicContact CD2-CD2 4.24Å; L465-F482 PolarHBondContact N-O 2.7Å; L465-F482 PolarHBondContact O-N 3.35Å; V467-F482 HydrophobicContact CB-CE2 4.37Å; V467-F482 HydrophobicContact CG2-CD2 4.05Å; V467-F482 HydrophobicContact CG2-CE2 3.91Å; K480-F482 HydrophobicContact CB-CE2 4.27Å; K480-F482 HydrophobicContact CG-CE2 4.02Å; K480-F482 HydrophobicContact CG-CZ 4.02Å; F482-M493 HydrophobicContact CB-CE 4.09Å; F482-M493 HydrophobicContact CB-SD 4.41Å; F482-L515 HydrophobicContact CD2-CD1 4.04Å; F482-L515 HydrophobicContact CE1-CB 4.15Å; F482-L515 HydrophobicContact CE1-CD1 4.43Å; F482-L515 HydrophobicContact CE2-CB 4.49Å; F482-L515 HydrophobicContact CE2-CD1 3.86Å; F482-L515 HydrophobicContact CG-CD1 4.4Å; F482-L515 HydrophobicContact CZ-CB 3.91Å; F482-L515 HydrophobicContact CZ-CD1 4.07Å; F482-F522 AromaticContact CZ-CD2 3.9Å; F482-F522 HydrophobicContact CZ-CD2 3.9Å; F482-F522 HydrophobicContact CZ-CE2 4.46Å; F482-F522 HydrophobicContact CZ-CG 4.34Å
483R93.6Very high79.8Confident113 Ų11368.7 Ų68.743%0.42639%0.391SS..EExtended strand (participates in β ladder)trans-99.2135.1-173-63.8169.5-179.3169.53.5110I464 E494I464-R483 HydrophobicContact CD1-CG 4.14Å; R483-E494 HydrophobicContact CB-CB 4.12Å; R483-E494 WeakPolarHBondContact CB-OE2 3.46Å; R483-E494 WeakPolarHBondContact CD-OE2 3.42Å; R483-E494 IonicContact NH1-OE1 2.62Å; R483-E494 IonicContact NH1-OE2 3.61Å; R483-E494 PolarHBondContact O-N 3.45Å
484I93.5Very high81.8Confident0 Ų066.7 Ų66.70%038%0.376CS..EExtended strand (participates in β ladder)trans-117.4126.5174.1-60.8169.1000107.1V453 I463 L465 F491 C492 M493 V503 L506V453-I484 HydrophobicContact CG1-CD1 4.41Å; I463-I484 HydrophobicContact CB-CB 3.96Å; I463-I484 HydrophobicContact CB-CG2 4.35Å; I463-I484 HydrophobicContact CG2-CB 4.15Å; I463-I484 HydrophobicContact CG2-CD1 4.3Å; I463-I484 PolarHBondContact N-O 3.48Å; I463-I484 PolarHBondContact O-N 3.09Å; L465-I484 HydrophobicContact CB-CD1 4.14Å; I484-F491 HydrophobicContact CG2-CB 4.33Å; I484-C492 CarbonylContact C-O 3.58Å; I484-C492 WeakPolarHBondContact CA-O 3.2Å; I484-M493 HydrophobicContact CG1-CE 4.3Å; I484-V503 HydrophobicContact CD1-CG1 4.26Å; I484-L506 HydrophobicContact CD1-CD1 4.37Å; I484-L506 HydrophobicContact CD1-CD2 3.96Å; I484-L506 HydrophobicContact CG1-CD1 4.38Å; I484-L506 HydrophobicContact CG2-CD1 3.96Å
485Q87.4Confident83.4Confident78 Ų7866.3 Ų66.336%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-103136.1177.8-65-178.7-1.500109.8F491 C492Q485-F491 WeakPolarHBondContact O-CA 3.31Å; Q485-C492 PolarHBondContact N-O 2.99Å; Q485-C492 PolarHBondContact O-N 3.16Å
486Q85.8Confident84.9Confident81 Ų8165.5 Ų65.538%0.37936%0.359SS..EExtended strand (participates in β ladder)trans-95119.8170.1-175.7-179.5-5.500109.1G488 F491Q486-G488 PolarHBondContact NE2-O 3.21Å; Q486-F491 HydrophobicContact CB-CD1 4.15Å; Q486-F491 HydrophobicContact CB-CE1 4.01Å; Q486-F491 HydrophobicContact CG-CD1 4.22Å; Q486-F491 HydrophobicContact CG-CE1 3.76Å; Q486-F491 HydrophobicContact CG-CZ 4.23Å
487K81.4Confident86.1Confident111 Ų11164 Ų6448%0.48336%0.36SS..EExtended strand (participates in β ladder)trans-116.191.1177-67.3178-177.2166.20108.9S489 V490 C492K487-S489 PolarHBondContact O-N 3.22Å; K487-V490 HydrophobicContact CB-CG2 4.07Å; K487-V490 PolarHBondContact N-O 3.19Å; K487-V490 VanDerWaalsContact O-CG2 3.24Å; K487-V490 WeakPolarHBondContact O-CG2 3.46Å; K487-V490 PolarHBondContact O-N 3.26Å; K487-V490 VanDerWaalsContact O-N 3.16Å; K487-C492 WeakPolarHBondContact CE-SG 3.39Å
488G79.1Confident87.2Confident65 Ų6565.3 Ų65.367%0.6736%0.359SS*.THydrogen-bonded Turntrans63-117.2-173.200000111Q486Q486-G488 PolarHBondContact NE2-O 3.21Å
489S81.4Confident88Confident103 Ų10368.7 Ų68.772%0.7237%0.37SS*.THydrogen-bonded Turntrans-91.3-0.1178.957.50000114.6K487K487-S489 PolarHBondContact O-N 3.22Å
490V89.3Confident88.4Confident36 Ų3667.5 Ų67.522%0.21836%0.364CS..EExtended strand (participates in β ladder)trans-114.8151.3-178.8-60.40000112.9K487 E499 F500K487-V490 HydrophobicContact CB-CG2 4.07Å; K487-V490 PolarHBondContact N-O 3.19Å; K487-V490 VanDerWaalsContact O-CG2 3.24Å; K487-V490 WeakPolarHBondContact O-CG2 3.46Å; K487-V490 PolarHBondContact O-N 3.26Å; K487-V490 VanDerWaalsContact O-N 3.16Å; V490-E499 HydrophobicContact CB-CB 4.28Å; V490-E499 HydrophobicContact CG2-CB 4.43Å; V490-E499 HydrophobicContact CG2-CG 4.46Å; V490-F500 CarbonylContact C-O 3.57Å; V490-F500 VanDerWaalsContact CA-O 3.29Å; V490-F500 WeakPolarHBondContact CA-O 3.45Å
491F90.9Very high88.4Confident7 Ų767.9 Ų67.93%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-114.6132.9178.6-59.6-89.1000109.9L422 I463 I484 Q485 Q486 F500 V503 L506L422-F491 HydrophobicContact CD1-CZ 4.33Å; I463-F491 HydrophobicContact CD1-CD1 4.15Å; I463-F491 HydrophobicContact CD1-CE1 3.96Å; I484-F491 HydrophobicContact CG2-CB 4.33Å; Q485-F491 WeakPolarHBondContact O-CA 3.31Å; Q486-F491 HydrophobicContact CB-CD1 4.15Å; Q486-F491 HydrophobicContact CB-CE1 4.01Å; Q486-F491 HydrophobicContact CG-CD1 4.22Å; Q486-F491 HydrophobicContact CG-CE1 3.76Å; Q486-F491 HydrophobicContact CG-CZ 4.23Å; F491-F500 PolarHBondContact N-O 3.28Å; F491-F500 PolarHBondContact O-N 3.33Å; F491-V503 HydrophobicContact CB-CG2 4.48Å; F491-V503 HydrophobicContact CD1-CG2 3.44Å; F491-V503 VanDerWaalsContact CD1-CG2 3.44Å; F491-V503 HydrophobicContact CD2-CG2 4.35Å; F491-V503 HydrophobicContact CE1-CG2 3.63Å; F491-V503 HydrophobicContact CG-CG2 3.83Å; F491-V503 HydrophobicContact CZ-CG2 4.18Å; F491-L506 HydrophobicContact CB-CD1 4.23Å
492C91.3Very high88.3Confident8 Ų865.7 Ų65.75%0.05437%0.37CS..EExtended strand (participates in β ladder)trans-134.1140.6177.758.40000110.5I484 Q485 K487I484-C492 CarbonylContact C-O 3.58Å; I484-C492 WeakPolarHBondContact CA-O 3.2Å; Q485-C492 PolarHBondContact N-O 2.99Å; Q485-C492 PolarHBondContact O-N 3.16Å; K487-C492 WeakPolarHBondContact CE-SG 3.39Å
493M90.8Very high88.2Confident11 Ų1164.5 Ų64.55%0.05437%0.365CS..EExtended strand (participates in β ladder)trans-84.9136.7173.2179.4175.1-79.600109.5L465 F482 I484 G495 W496 L506 L510 L515L465-M493 HydrophobicContact CD2-CE 3.47Å; L465-M493 VanDerWaalsContact CD2-CE 3.47Å; F482-M493 HydrophobicContact CB-CE 4.09Å; F482-M493 HydrophobicContact CB-SD 4.41Å; I484-M493 HydrophobicContact CG1-CE 4.3Å; M493-G495 PolarHBondContact O-N 2.85Å; M493-W496 HydrophobicContact CB-CB 4.09Å; M493-W496 HydrophobicContact CB-CE3 4.15Å; M493-W496 PolarHBondContact O-N 3.49Å; M493-L506 HydrophobicContact CE-CD2 4.29Å; M493-L510 HydrophobicContact CE-CD1 3.46Å; M493-L510 VanDerWaalsContact CE-CD1 3.46Å; M493-L510 HydrophobicContact CE-CD2 4.25Å; M493-L510 HydrophobicContact CE-CG 4.45Å; M493-L510 HydrophobicContact SD-CD2 4.31Å; M493-L515 HydrophobicContact SD-CD2 3.94Å
494E88.9Confident87.8Confident101 Ų10162.4 Ų62.447%0.47236%0.359SS..THydrogen-bonded Turntrans-62.4121.5177.8-167.9175.6157.800110.2R483R483-E494 HydrophobicContact CB-CB 4.12Å; R483-E494 WeakPolarHBondContact CB-OE2 3.46Å; R483-E494 WeakPolarHBondContact CD-OE2 3.42Å; R483-E494 IonicContact NH1-OE1 2.62Å; R483-E494 IonicContact NH1-OE2 3.61Å; R483-E494 PolarHBondContact O-N 3.45Å
495G84.4Confident87.6Confident86 Ų8665.9 Ų65.989%0.88738%0.375SS*.THydrogen-bonded Turntrans89.35.9-17400000115M493M493-G495 PolarHBondContact O-N 2.85Å
496W86.8Confident87.8Confident51 Ų5162.2 Ų62.219%0.19336%0.358CS..  trans-125.7120.5173.8-16425.5000111.2M493 K498 F500 L506 N509 L510 Y513M493-W496 HydrophobicContact CB-CB 4.09Å; M493-W496 HydrophobicContact CB-CE3 4.15Å; M493-W496 PolarHBondContact O-N 3.49Å; W496-K498 HydrophobicContact CD2-CB 4.21Å; W496-K498 HydrophobicContact CZ2-CD 3.74Å; W496-K498 HydrophobicContact CZ2-CG 4.42Å; W496-K498 PolarHBondContact O-N 2.88Å; W496-K498 VanDerWaalsContact O-N 3.08Å; W496-F500 HydrophobicContact CD2-CE2 4.5Å; W496-F500 AromaticContact CE3-CE2 3.74Å; W496-F500 HydrophobicContact CE3-CE2 3.74Å; W496-F500 HydrophobicContact CE3-CZ 4.11Å; W496-F500 AromaticContact CH2-CE2 3.95Å; W496-F500 HydrophobicContact CH2-CE2 3.95Å; W496-F500 AromaticContact CH2-CZ 3.45Å; W496-F500 HydrophobicContact CH2-CZ 3.45Å; W496-F500 VanDerWaalsContact CH2-CZ 3.45Å; W496-F500 HydrophobicContact CZ2-CZ 4.11Å; W496-F500 AromaticContact CZ3-CE2 3.41Å; W496-F500 HydrophobicContact CZ3-CE2 3.41Å; W496-F500 VanDerWaalsContact CZ3-CE2 3.41Å; W496-F500 AromaticContact CZ3-CZ 3.43Å; W496-F500 HydrophobicContact CZ3-CZ 3.43Å; W496-F500 VanDerWaalsContact CZ3-CZ 3.43Å; W496-L506 HydrophobicContact CZ3-CG 4.45Å; W496-N509 HydrophobicContact CH2-CB 4.13Å; W496-L510 HydrophobicContact CE3-CD2 4.07Å; W496-L510 HydrophobicContact CH2-CD2 3.9Å; W496-L510 HydrophobicContact CH2-CG 4.38Å; W496-L510 HydrophobicContact CZ3-CD2 3.5Å; W496-L510 HydrophobicContact CZ3-CG 3.94Å; W496-Y513 HydrophobicContact CH2-CD2 4.45Å; W496-Y513 HydrophobicContact CH2-CE2 4.47Å; W496-Y513 HydrophobicContact CZ2-CD2 4.24Å; W496-Y513 HydrophobicContact CZ2-CE2 4.06Å
497D85.4Confident88Confident168 Ų16859 Ų5990%0.89834%0.343SS*.  trans-75.47-173.9-60-38.4000114.7
498K88.6Confident88.2Confident85 Ų8556.5 Ų56.537%0.3734%0.336SS..  trans-91.7141.2179.1-68-167.3-179.8179.90111.8W496 F500 Y513W496-K498 HydrophobicContact CD2-CB 4.21Å; W496-K498 HydrophobicContact CZ2-CD 3.74Å; W496-K498 HydrophobicContact CZ2-CG 4.42Å; W496-K498 PolarHBondContact O-N 2.88Å; W496-K498 VanDerWaalsContact O-N 3.08Å; K498-F500 HydrophobicContact CB-CE2 3.7Å; K498-F500 HydrophobicContact CB-CZ 3.7Å; K498-F500 HydrophobicContact CD-CZ 4.19Å; K498-Y513 PolarHBondContact NZ-OH 3.05Å
499E92.2Very high88.7Confident123 Ų12356 Ų5658%0.57532%0.318SS*.EExtended strand (participates in β ladder)trans-111140.3176-62.2-175.2165.700110V490V490-E499 HydrophobicContact CB-CB 4.28Å; V490-E499 HydrophobicContact CG2-CB 4.43Å; V490-E499 HydrophobicContact CG2-CG 4.46Å
500F92.1Very high89.1Confident10 Ų1051.2 Ų51.24%0.04428%0.284CS..EExtended strand (participates in β ladder)trans-128.5149.1-176.9-59-83.3000110.7V490 F491 W496 K498 S502 E505 L506 N509V490-F500 CarbonylContact C-O 3.57Å; V490-F500 VanDerWaalsContact CA-O 3.29Å; V490-F500 WeakPolarHBondContact CA-O 3.45Å; F491-F500 PolarHBondContact N-O 3.28Å; F491-F500 PolarHBondContact O-N 3.33Å; W496-F500 HydrophobicContact CD2-CE2 4.5Å; W496-F500 AromaticContact CE3-CE2 3.74Å; W496-F500 HydrophobicContact CE3-CE2 3.74Å; W496-F500 HydrophobicContact CE3-CZ 4.11Å; W496-F500 AromaticContact CH2-CE2 3.95Å; W496-F500 HydrophobicContact CH2-CE2 3.95Å; W496-F500 AromaticContact CH2-CZ 3.45Å; W496-F500 HydrophobicContact CH2-CZ 3.45Å; W496-F500 VanDerWaalsContact CH2-CZ 3.45Å; W496-F500 HydrophobicContact CZ2-CZ 4.11Å; W496-F500 AromaticContact CZ3-CE2 3.41Å; W496-F500 HydrophobicContact CZ3-CE2 3.41Å; W496-F500 VanDerWaalsContact CZ3-CE2 3.41Å; W496-F500 AromaticContact CZ3-CZ 3.43Å; W496-F500 HydrophobicContact CZ3-CZ 3.43Å; W496-F500 VanDerWaalsContact CZ3-CZ 3.43Å; K498-F500 HydrophobicContact CB-CE2 3.7Å; K498-F500 HydrophobicContact CB-CZ 3.7Å; K498-F500 HydrophobicContact CD-CZ 4.19Å; F500-S502 VanDerWaalsContact C-N 3.31Å; F500-E505 HydrophobicContact CB-CB 4.49Å; F500-E505 HydrophobicContact CD1-CG 3.95Å; F500-L506 HydrophobicContact CB-CB 3.94Å; F500-L506 HydrophobicContact CD1-CB 4.37Å; F500-L506 HydrophobicContact CD2-CB 3.61Å; F500-L506 HydrophobicContact CD2-CD1 3.74Å; F500-L506 HydrophobicContact CD2-CG 3.57Å; F500-L506 HydrophobicContact CE2-CB 4.21Å; F500-L506 HydrophobicContact CE2-CD1 4.27Å; F500-L506 HydrophobicContact CE2-CG 3.85Å; F500-L506 HydrophobicContact CG-CB 3.69Å; F500-L506 HydrophobicContact CG-CG 4.2Å; F500-N509 HydrophobicContact CE1-CB 3.84Å; F500-N509 HydrophobicContact CZ-CB 4.16Å
501S89.9Confident88.9Confident86 Ų8654.1 Ų54.160%0.60129%0.294SS*.SBendtrans-75.8-2217967.20000112.9E505S501-E505 WeakPolarHBondContact CB-OE2 3.31Å; S501-E505 PolarHBondContact N-OE2 3.31Å; S501-E505 PolarHBondContact OG-OE2 3.05Å
502S89.9Confident88.7Confident30 Ų3059.1 Ų59.121%0.2133%0.325CS..SBendtrans-146.1158.8178.666.30000111.2N426 F500 K504 E505 L506N426-S502 WeakPolarHBondContact OD1-CB 3.44Å; F500-S502 VanDerWaalsContact C-N 3.31Å; S502-K504 VanDerWaalsContact C-N 3.26Å; S502-E505 PolarHBondContact O-N 3.3Å; S502-E505 VanDerWaalsContact OG-CB 3.26Å; S502-E505 WeakPolarHBondContact OG-CB 3.46Å; S502-E505 PolarHBondContact OG-N 3.4Å; S502-L506 PolarHBondContact O-N 3.01Å; S502-L506 VanDerWaalsContact O-N 3.13Å
503V88.9Confident88.6Confident1 Ų163.5 Ų63.51%0.00634%0.341CS..Hα-helixtrans-68.1-32172.3-175.40000110.5N426 L428 V453 I463 I484 F491 L506 T507N426-V503 HydrophobicContact CB-CB 4.11Å; N426-V503 HydrophobicContact CB-CG2 4.45Å; N426-V503 PolarHBondContact OD1-N 3.42Å; L428-V503 HydrophobicContact CD2-CB 4.21Å; L428-V503 HydrophobicContact CD2-CG1 3.89Å; L428-V503 HydrophobicContact CD2-CG2 4.35Å; V453-V503 HydrophobicContact CG1-CG1 4.05Å; I463-V503 HydrophobicContact CD1-CG2 3.98Å; I484-V503 HydrophobicContact CD1-CG1 4.26Å; F491-V503 HydrophobicContact CB-CG2 4.48Å; F491-V503 HydrophobicContact CD1-CG2 3.44Å; F491-V503 VanDerWaalsContact CD1-CG2 3.44Å; F491-V503 HydrophobicContact CD2-CG2 4.35Å; F491-V503 HydrophobicContact CE1-CG2 3.63Å; F491-V503 HydrophobicContact CG-CG2 3.83Å; F491-V503 HydrophobicContact CZ-CG2 4.18Å; V503-L506 WeakPolarHBondContact O-CB 3.39Å; V503-L506 PolarHBondContact O-N 2.96Å; V503-T507 HydrophobicContact CG1-CG2 4.23Å; V503-T507 WeakPolarHBondContact O-CG2 3.4Å; V503-T507 PolarHBondContact O-N 2.75Å; V503-T507 PolarHBondContact O-OG1 2.72Å
504K85.5Confident88.4Confident69 Ų6967 Ų6730%0.336%0.362SS..Hα-helixtrans-57.2-54173.6-173.5177.4-179.3179.70110.6S502 L506 T507 D508 E826S502-K504 VanDerWaalsContact C-N 3.26Å; K504-L506 VanDerWaalsContact C-N 3.3Å; K504-L506 PolarHBondContact O-N 3.04Å; K504-T507 PolarHBondContact O-N 2.87Å; K504-T507 VanDerWaalsContact O-N 3.1Å; K504-T507 PolarHBondContact O-OG1 3.17Å; K504-D508 PolarHBondContact O-N 3.07Å; K504-E826 VanDerWaalsContact CE-OE1 3.26Å; K504-E826 WeakPolarHBondContact CE-OE1 3.43Å; K504-E826 IonicContact NZ-OE1 3.01Å; K504-E826 PolarHBondContact NZ-OE1 2.87Å; K504-E826 IonicContact NZ-OE2 3.45Å; K504-E826 PolarHBondContact NZ-OE2 3.39Å
505E89.5Confident88.3Confident74 Ų7463 Ų6335%0.34635%0.345SS..Hα-helixtrans-56.5-43.2176.8-172.8-170.2-17900112F500 S501 S502 D508 N509F500-E505 HydrophobicContact CB-CB 4.49Å; F500-E505 HydrophobicContact CD1-CG 3.95Å; S501-E505 WeakPolarHBondContact CB-OE2 3.31Å; S501-E505 PolarHBondContact N-OE2 3.31Å; S501-E505 PolarHBondContact OG-OE2 3.05Å; S502-E505 PolarHBondContact O-N 3.3Å; S502-E505 VanDerWaalsContact OG-CB 3.26Å; S502-E505 WeakPolarHBondContact OG-CB 3.46Å; S502-E505 PolarHBondContact OG-N 3.4Å; E505-D508 PolarHBondContact O-N 3.33Å; E505-N509 PolarHBondContact O-N 2.9Å; E505-N509 PolarHBondContact O-ND2 2.91Å
506L91.5Very high88.4Confident0 Ų066.6 Ų66.60%034%0.336CS..Hα-helixtrans-58.1-51.3175.2-176.3161.2000110.9I484 F491 M493 W496 F500 S502 V503 K504 D508 N509 L510I484-L506 HydrophobicContact CD1-CD1 4.37Å; I484-L506 HydrophobicContact CD1-CD2 3.96Å; I484-L506 HydrophobicContact CG1-CD1 4.38Å; I484-L506 HydrophobicContact CG2-CD1 3.96Å; F491-L506 HydrophobicContact CB-CD1 4.23Å; M493-L506 HydrophobicContact CE-CD2 4.29Å; W496-L506 HydrophobicContact CZ3-CG 4.45Å; F500-L506 HydrophobicContact CB-CB 3.94Å; F500-L506 HydrophobicContact CD1-CB 4.37Å; F500-L506 HydrophobicContact CD2-CB 3.61Å; F500-L506 HydrophobicContact CD2-CD1 3.74Å; F500-L506 HydrophobicContact CD2-CG 3.57Å; F500-L506 HydrophobicContact CE2-CB 4.21Å; F500-L506 HydrophobicContact CE2-CD1 4.27Å; F500-L506 HydrophobicContact CE2-CG 3.85Å; F500-L506 HydrophobicContact CG-CB 3.69Å; F500-L506 HydrophobicContact CG-CG 4.2Å; S502-L506 PolarHBondContact O-N 3.01Å; S502-L506 VanDerWaalsContact O-N 3.13Å; V503-L506 WeakPolarHBondContact O-CB 3.39Å; V503-L506 PolarHBondContact O-N 2.96Å; K504-L506 VanDerWaalsContact C-N 3.3Å; K504-L506 PolarHBondContact O-N 3.04Å; L506-D508 PolarHBondContact O-N 3.41Å; L506-N509 PolarHBondContact O-N 3.1Å; L506-L510 HydrophobicContact CD2-CD1 3.54Å; L506-L510 HydrophobicContact CD2-CG 4.08Å; L506-L510 WeakPolarHBondContact O-CG 3.4Å; L506-L510 PolarHBondContact O-N 3.41Å
507T89.3Confident88.2Confident13 Ų1365.8 Ų65.88%0.0834%0.338CS..Hα-helixtrans-67.9-33.3-178.255.40000113.6F451 V453 V503 K504 L510 K511F451-T507 HydrophobicContact CE2-CG2 3.94Å; V453-T507 HydrophobicContact CG2-CG2 3.84Å; V503-T507 HydrophobicContact CG1-CG2 4.23Å; V503-T507 WeakPolarHBondContact O-CG2 3.4Å; V503-T507 PolarHBondContact O-N 2.75Å; V503-T507 PolarHBondContact O-OG1 2.72Å; K504-T507 PolarHBondContact O-N 2.87Å; K504-T507 VanDerWaalsContact O-N 3.1Å; K504-T507 PolarHBondContact O-OG1 3.17Å; T507-L510 WeakPolarHBondContact O-CB 3.17Å; T507-L510 PolarHBondContact O-N 2.68Å; T507-K511 PolarHBondContact O-N 3.18Å
508D87Confident88.1Confident60 Ų6061.7 Ų61.732%0.32134%0.335SS..Hα-helixtrans-68-38.9175.5-74.8-30.6000111.5K504 E505 L506 K511K504-D508 PolarHBondContact O-N 3.07Å; E505-D508 PolarHBondContact O-N 3.33Å; L506-D508 PolarHBondContact O-N 3.41Å; D508-K511 WeakPolarHBondContact O-CB 3.23Å; D508-K511 PolarHBondContact O-N 3.05Å; D508-K511 IonicContact OD1-NZ 3Å; D508-K511 PolarHBondContact OD1-NZ 2.9Å
509N89.4Confident87.6Confident55 Ų5562.7 Ų62.729%0.29435%0.353SS..Hα-helixtrans-63.4-42.5171.7-83.9-89.2000111.5W496 F500 E505 L506 K511 T512 Y513W496-N509 HydrophobicContact CH2-CB 4.13Å; F500-N509 HydrophobicContact CE1-CB 3.84Å; F500-N509 HydrophobicContact CZ-CB 4.16Å; E505-N509 PolarHBondContact O-N 2.9Å; E505-N509 PolarHBondContact O-ND2 2.91Å; L506-N509 PolarHBondContact O-N 3.1Å; N509-K511 PolarHBondContact O-N 3.21Å; N509-K511 VanDerWaalsContact O-N 3.13Å; N509-T512 PolarHBondContact O-N 3.32Å; N509-T512 VanDerWaalsContact O-N 3.07Å; N509-T512 PolarHBondContact O-OG1 2.9Å; N509-Y513 VanDerWaalsContact O-CD2 3.28Å; N509-Y513 WeakPolarHBondContact O-CD2 3.18Å
510L89.1Confident87.1Confident2 Ų260.2 Ų60.21%0.0134%0.344CS..Hα-helixtrans-58.2-25.6179.1-74.7176.6000114L465 M493 W496 L506 T507 T512 Y513 L515 V524L465-L510 HydrophobicContact CD2-CD1 3.76Å; M493-L510 HydrophobicContact CE-CD1 3.46Å; M493-L510 VanDerWaalsContact CE-CD1 3.46Å; M493-L510 HydrophobicContact CE-CD2 4.25Å; M493-L510 HydrophobicContact CE-CG 4.45Å; M493-L510 HydrophobicContact SD-CD2 4.31Å; W496-L510 HydrophobicContact CE3-CD2 4.07Å; W496-L510 HydrophobicContact CH2-CD2 3.9Å; W496-L510 HydrophobicContact CH2-CG 4.38Å; W496-L510 HydrophobicContact CZ3-CD2 3.5Å; W496-L510 HydrophobicContact CZ3-CG 3.94Å; L506-L510 HydrophobicContact CD2-CD1 3.54Å; L506-L510 HydrophobicContact CD2-CG 4.08Å; L506-L510 WeakPolarHBondContact O-CG 3.4Å; L506-L510 PolarHBondContact O-N 3.41Å; T507-L510 WeakPolarHBondContact O-CB 3.17Å; T507-L510 PolarHBondContact O-N 2.68Å; L510-T512 PolarHBondContact O-N 3.07Å; L510-T512 VanDerWaalsContact O-N 3.09Å; L510-Y513 PolarHBondContact O-N 3.48Å; L510-L515 HydrophobicContact CD2-CD2 3.88Å; L510-V524 HydrophobicContact CB-CB 4.45Å; L510-V524 HydrophobicContact CB-CG1 4.27Å
511K86.3Confident86.9Confident97 Ų9764.7 Ų64.742%0.42237%0.368SS..THydrogen-bonded Turntrans-59.6-20.7176.5-67.3170.1-179.3162.30113.6T507 D508 N509 V524T507-K511 PolarHBondContact O-N 3.18Å; D508-K511 WeakPolarHBondContact O-CB 3.23Å; D508-K511 PolarHBondContact O-N 3.05Å; D508-K511 IonicContact OD1-NZ 3Å; D508-K511 PolarHBondContact OD1-NZ 2.9Å; N509-K511 PolarHBondContact O-N 3.21Å; N509-K511 VanDerWaalsContact O-N 3.13Å; K511-V524 VanDerWaalsContact CA-O 3.31Å; K511-V524 WeakPolarHBondContact CA-O 3.37Å
512T86.9Confident86.7Confident112 Ų11261 Ų6169%0.68734%0.341SS*.THydrogen-bonded Turntrans-96-2.4178.764.60000114N509 L510N509-T512 PolarHBondContact O-N 3.32Å; N509-T512 VanDerWaalsContact O-N 3.07Å; N509-T512 PolarHBondContact O-OG1 2.9Å; L510-T512 PolarHBondContact O-N 3.07Å; L510-T512 VanDerWaalsContact O-N 3.09Å
513Y87.9Confident86.5Confident100 Ų10061.4 Ų61.439%0.39234%0.342SS..SBendtrans-117.2162.3-177.7-67.9-98.5000111.8W496 K498 N509 L510W496-Y513 HydrophobicContact CH2-CD2 4.45Å; W496-Y513 HydrophobicContact CH2-CE2 4.47Å; W496-Y513 HydrophobicContact CZ2-CD2 4.24Å; W496-Y513 HydrophobicContact CZ2-CE2 4.06Å; K498-Y513 PolarHBondContact NZ-OH 3.05Å; N509-Y513 VanDerWaalsContact O-CD2 3.28Å; N509-Y513 WeakPolarHBondContact O-CD2 3.18Å; L510-Y513 PolarHBondContact O-N 3.48Å
514V86.9Confident86.4Confident83 Ų8361.5 Ų61.550%0.50334%0.343SS..EExtended strand (participates in β ladder)trans-107.9122.2169.4-178.40000108.3N521 T523V514-N521 HydrophobicContact CG1-CB 3.91Å; V514-T523 HydrophobicContact CG2-CG2 4.33Å
515L87.8Confident86.2Confident19 Ų1965.4 Ų65.410%0.09936%0.356CS..EExtended strand (participates in β ladder)trans-80.6128.9176.7-67.2173.6000109.4L465 F482 M493 L510 N521 F522 V524L465-L515 HydrophobicContact CD2-CD1 4.02Å; F482-L515 HydrophobicContact CD2-CD1 4.04Å; F482-L515 HydrophobicContact CE1-CB 4.15Å; F482-L515 HydrophobicContact CE1-CD1 4.43Å; F482-L515 HydrophobicContact CE2-CB 4.49Å; F482-L515 HydrophobicContact CE2-CD1 3.86Å; F482-L515 HydrophobicContact CG-CD1 4.4Å; F482-L515 HydrophobicContact CZ-CB 3.91Å; F482-L515 HydrophobicContact CZ-CD1 4.07Å; M493-L515 HydrophobicContact SD-CD2 3.94Å; L510-L515 HydrophobicContact CD2-CD2 3.88Å; L515-N521 CarbonylContact O-C 3.57Å; L515-N521 WeakPolarHBondContact O-CA 3.33Å; L515-F522 HydrophobicContact CB-CB 4.18Å; L515-F522 PolarHBondContact N-O 3.35Å; L515-F522 PolarHBondContact O-N 3.47Å; L515-V524 HydrophobicContact CD1-CG2 3.62Å; L515-V524 HydrophobicContact CG-CG2 4.48Å
516K85.6Confident85.9Confident160 Ų16066 Ų6670%0.69636%0.357SS*.EExtended strand (participates in β ladder)trans-110.1131.1176.2-60.8-163.7173.6179.10110.6N521K516-N521 WeakPolarHBondContact CE-OD1 3.47Å; K516-N521 WeakPolarHBondContact CG-OD1 3.39Å
517S83.4Confident85.7Confident35 Ų3567.6 Ų67.625%0.24537%0.368CS..EExtended strand (participates in β ladder)trans-133.3100.1171.2-165.10000109.7K480 S519 D520K480-S517 WeakPolarHBondContact CE-OG 3.19Å; K480-S517 PolarHBondContact NZ-OG 2.78Å; S517-S519 PolarHBondContact O-N 3.05Å; S517-D520 PolarHBondContact N-O 3.5Å; S517-D520 PolarHBondContact O-N 3.3Å
518G82.4Confident85.6Confident81 Ų8167 Ų6784%0.83536%0.364SS*.THydrogen-bonded Turntrans66.7-125-170.700000111
519S78.3Confident85.6Confident107 Ų10766 Ų6675%0.74836%0.359SS*.THydrogen-bonded Turntrans-80.5-15.3175.349.50000114.1S517S517-S519 PolarHBondContact O-N 3.05Å
520D82Confident85.4Confident71 Ų7165 Ų6538%0.3836%0.355SS..EExtended strand (participates in β ladder)trans-95.3138.8-166.3-53.5-23.4000111.1S517 F522S517-D520 PolarHBondContact N-O 3.5Å; S517-D520 PolarHBondContact O-N 3.3Å; D520-F522 HydrophobicContact CB-CE2 3.61Å; D520-F522 HydrophobicContact CB-CZ 3.75Å
521N86.7Confident85Confident103 Ų10371.2 Ų71.255%0.55138%0.378SS*.EExtended strand (participates in β ladder)trans-109.5136.3178.5-61.1-52.3000110.1V514 L515 K516V514-N521 HydrophobicContact CG1-CB 3.91Å; L515-N521 CarbonylContact O-C 3.57Å; L515-N521 WeakPolarHBondContact O-CA 3.33Å; K516-N521 WeakPolarHBondContact CE-OD1 3.47Å; K516-N521 WeakPolarHBondContact CG-OD1 3.39Å
522F86.3Confident84.5Confident10 Ų1070.2 Ų70.24%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-127.8138.3179.8-56-90.6000109.8V467 N469 K480 F482 L515 D520V467-F522 HydrophobicContact CG1-CB 4.2Å; V467-F522 HydrophobicContact CG1-CD1 4.32Å; N469-F522 HydrophobicContact CB-CE1 4.09Å; K480-F522 HydrophobicContact CB-CD1 4.46Å; K480-F522 HydrophobicContact CB-CE1 3.91Å; K480-F522 HydrophobicContact CB-CE2 4.39Å; K480-F522 HydrophobicContact CB-CZ 3.88Å; K480-F522 HydrophobicContact CG-CE2 4.16Å; K480-F522 HydrophobicContact CG-CZ 4.04Å; F482-F522 AromaticContact CZ-CD2 3.9Å; F482-F522 HydrophobicContact CZ-CD2 3.9Å; F482-F522 HydrophobicContact CZ-CE2 4.46Å; F482-F522 HydrophobicContact CZ-CG 4.34Å; L515-F522 HydrophobicContact CB-CB 4.18Å; L515-F522 PolarHBondContact N-O 3.35Å; L515-F522 PolarHBondContact O-N 3.47Å; D520-F522 HydrophobicContact CB-CE2 3.61Å; D520-F522 HydrophobicContact CB-CZ 3.75Å
523T86.1Confident83.9Confident38 Ų3867.5 Ų67.523%0.23336%0.364CS..EExtended strand (participates in β ladder)trans-111.3146.7172.859.10000109.9G449 V514G449-T523 WeakPolarHBondContact CA-O 3.32Å; V514-T523 HydrophobicContact CG2-CG2 4.33Å
524V86.2Confident83.6Confident2 Ų263.8 Ų63.81%0.01235%0.35CS..  trans-116.1113.2-178.9172.70000105.9F451 V467 L510 K511 L515F451-V524 HydrophobicContact CD1-CB 4.23Å; F451-V524 HydrophobicContact CD1-CG1 3.28Å; F451-V524 HydrophobicContact CD2-CG1 4.14Å; F451-V524 HydrophobicContact CE1-CB 4.39Å; F451-V524 HydrophobicContact CE1-CG1 3.15Å; F451-V524 HydrophobicContact CE2-CG1 4.02Å; F451-V524 HydrophobicContact CG-CG1 3.76Å; F451-V524 HydrophobicContact CZ-CG1 3.52Å; V467-V524 HydrophobicContact CG2-CG2 4.21Å; L510-V524 HydrophobicContact CB-CB 4.45Å; L510-V524 HydrophobicContact CB-CG1 4.27Å; K511-V524 VanDerWaalsContact CA-O 3.31Å; K511-V524 WeakPolarHBondContact CA-O 3.37Å; L515-V524 HydrophobicContact CD1-CG2 3.62Å; L515-V524 HydrophobicContact CG-CG2 4.48Å
525R82.4Confident83.6Confident152 Ų15263.3 Ų63.357%0.57434%0.344SS*.  trans-123.6-56.2-178.1-63.7-165.5-177.5-176.82.3111.4E448 G449E448-R525 WeakPolarHBondContact O-CD 3.33Å; G449-R525 PolarHBondContact O-N 2.84Å
526K83.4Confident83.7Confident86 Ų8662.4 Ų62.437%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-116.6120.1-172.1-173.1173.8-175.5171.10111.4G449 A450 F451G449-K526 PolarHBondContact O-N 2.97Å; A450-K526 WeakPolarHBondContact CA-O 3.43Å; F451-K526 VanDerWaalsContact CD1-C 3.42Å; F451-K526 WeakPolarHBondContact CD1-O 3.48Å; F451-K526 PolarHBondContact N-O 2.89Å
527C86.3Confident84Confident33 Ų3354.9 Ų54.922%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-82.2125.2174.1-166.40000109.7F451 L529F451-C527 HydrophobicContact CD2-CB 4.46Å; F451-C527 HydrophobicContact CE1-CB 3.85Å; F451-C527 VanDerWaalsContact CE1-N 3.33Å; F451-C527 HydrophobicContact CE2-CB 3.8Å; F451-C527 HydrophobicContact CZ-CB 3.46Å; F451-C527 VanDerWaalsContact CZ-CB 3.46Å; F451-C527 CarbonylContact O-C 3.52Å; F451-C527 WeakPolarHBondContact O-CA 3.5Å; C527-L529 HydrophobicContact CB-CD2 4.07Å; C527-L529 PolarHBondContact O-N 2.71Å
528C87.9Confident84.5Confident0 Ų053.9 Ų53.90%030%0.299CS..  trans-81.7109.1168.3-580000107.8H429 K440 E444 F451 L452H429-C528 PolarHBondContact CE1-O 3.43Å; K440-C528 HydrophobicContact CD-CB 4.41Å; K440-C528 HydrophobicContact CG-CB 4.22Å; E444-C528 VanDerWaalsContact CB-SG 3.59Å; E444-C528 WeakPolarHBondContact OE2-CA 3.17Å; E444-C528 WeakPolarHBondContact OE2-CB 3.46Å; E444-C528 PolarHBondContact OE2-SG 2.77Å; F451-C528 PolarHBondContact O-N 2.96Å; L452-C528 HydrophobicContact CB-CB 4.13Å
529L86.1Confident85Confident40 Ų4050.1 Ų50.121%0.20926%0.259CS..  trans-89.8152.5-172.5-55.6171.3000112.2M427 K440 C527 R531 N825M427-L529 HydrophobicContact CB-CD2 3.65Å; M427-L529 HydrophobicContact CE-CB 4.16Å; M427-L529 HydrophobicContact CE-CD1 3.81Å; M427-L529 HydrophobicContact CE-CD2 3.93Å; M427-L529 HydrophobicContact CE-CG 4.18Å; M427-L529 HydrophobicContact CG-CD2 3.97Å; K440-L529 WeakPolarHBondContact CE-O 3.48Å; K440-L529 PolarHBondContact NZ-O 3Å; C527-L529 HydrophobicContact CB-CD2 4.07Å; C527-L529 PolarHBondContact O-N 2.71Å; L529-R531 PolarHBondContact O-N 2.93Å; L529-N825 HydrophobicContact CD1-CB 3.86Å
530P86Confident85.7Confident33 Ų3345 Ų4521%0.21422%0.224CC..  trans-55.1135.5171.3-20.831.7000110.8H408 H429H408-P530 HydrophobicContact CB-CB 4.16Å; H429-P530 VanDerWaalsContact CE1-CD 3.41Å; H429-P530 WeakPolarHBondContact CE1-CD 3.19Å; H429-P530 VanDerWaalsContact CE1-N 3.35Å; H429-P530 WeakPolarHBondContact NE2-CA 3.38Å
531R80.4Confident85.9Confident133 Ų13345.7 Ų45.750%0.50222%0.223SC..  trans-109.3150.3177.9-60.7-175.8-171.9-154-4110.5E444 L529 A533 E534E444-R531 VanDerWaalsContact CD-NH2 3.29Å; E444-R531 IonicContact OE1-CZ 3.7Å; E444-R531 IonicContact OE1-NE 3.96Å; E444-R531 PolarHBondContact OE1-NE 2.82Å; E444-R531 IonicContact OE1-NH2 3.7Å; E444-R531 PolarHBondContact OE1-NH2 3.42Å; E444-R531 IonicContact OE2-NH2 3.76Å; L529-R531 PolarHBondContact O-N 2.93Å; R531-A533 PolarHBondContact O-N 3.45Å; R531-E534 HydrophobicContact CB-CB 4.25Å; R531-E534 VanDerWaalsContact O-CB 3.25Å; R531-E534 WeakPolarHBondContact O-CB 3.32Å; R531-E534 PolarHBondContact O-N 3.43Å
532Q75.7Confident85.9Confident77 Ų7740.9 Ų40.936%0.3620%0.197SC..THydrogen-bonded Turntrans-58.2133.1177.8-166.4-176.711.300110.9D406 E534D406-Q532 VanDerWaalsContact OD2-CA 3.25Å; D406-Q532 WeakPolarHBondContact OD2-CA 3.32Å; Q532-E534 PolarHBondContact O-N 3.12Å; Q532-E534 VanDerWaalsContact O-N 3.14Å
533A73.7Confident85.1Confident55 Ų5545.2 Ų45.246%0.45522%0.218SC..THydrogen-bonded Turntrans52.830.5-178.500000114.5A405 D406 R531 I535A405-A533 WeakPolarHBondContact O-CA 3.47Å; D406-A533 PolarHBondContact OD2-N 3.28Å; R531-A533 PolarHBondContact O-N 3.45Å; A533-I535 PolarHBondContact O-N 2.87Å
534E83.2Confident83.7Confident21 Ų2145.3 Ų45.310%0.09823%0.226CC..  trans-66.4127.2178.8-178170.2-139.600112.2K440 R443 R531 Q532 S536 L539K440-E534 WeakPolarHBondContact CD-OE1 3.47Å; K440-E534 WeakPolarHBondContact CE-OE1 2.95Å; K440-E534 IonicContact NZ-OE1 2.72Å; K440-E534 PolarHBondContact NZ-OE1 3.23Å; K440-E534 IonicContact NZ-OE2 2.8Å; K440-E534 PolarHBondContact NZ-OE2 3.26Å; R443-E534 IonicContact NH2-OE1 3.58Å; R443-E534 PolarHBondContact NH2-OE1 2.85Å; R443-E534 VanDerWaalsContact NH2-OE1 3.13Å; R531-E534 HydrophobicContact CB-CB 4.25Å; R531-E534 VanDerWaalsContact O-CB 3.25Å; R531-E534 WeakPolarHBondContact O-CB 3.32Å; R531-E534 PolarHBondContact O-N 3.43Å; Q532-E534 PolarHBondContact O-N 3.12Å; Q532-E534 VanDerWaalsContact O-N 3.14Å; E534-S536 PolarHBondContact O-N 3.25Å; E534-L539 WeakPolarHBondContact O-CD1 3.49Å
535I85.3Confident82.1Confident74 Ų7447.4 Ų47.438%0.37924%0.237SC..  trans-72.1121.9178.7-53.2-176.2000110.4H120 A533 Y550H120-I535 HydrophobicContact CB-CG2 3.73Å; H120-I535 VanDerWaalsContact CG-CG2 3.49Å; H120-I535 VanDerWaalsContact ND1-CG2 3.31Å; H120-I535 WeakPolarHBondContact ND1-CG2 3.43Å; A533-I535 PolarHBondContact O-N 2.87Å; I535-Y550 HydrophobicContact CD1-CE1 3.59Å; I535-Y550 WeakPolarHBondContact CD1-OH 3.42Å; I535-Y550 HydrophobicContact CG1-CE1 4.13Å; I535-Y550 WeakPolarHBondContact CG1-OH 3.42Å
536S90.4Very high80.3Confident0 Ų040.5 Ų40.50%021%0.211CC..SBendtrans-149.8174.6174.368.40000111.5E534 L538 L539E534-S536 PolarHBondContact O-N 3.25Å; S536-L538 PolarHBondContact O-N 2.96Å; S536-L538 WeakPolarHBondContact OG-CB 3.44Å; S536-L538 WeakPolarHBondContact OG-CG 3.41Å; S536-L538 PolarHBondContact OG-N 3.19Å; S536-L539 PolarHBondContact O-N 2.93Å; S536-L539 VanDerWaalsContact O-N 3.09Å
537N91.5Very high78.2Confident1 Ų141.3 Ų41.31%0.00522%0.215CC..THydrogen-bonded Turntrans-58.1-16.2171.862-70.3000113.7L64 R119 P431 M432 H433 F436 L539L64-N537 WeakPolarHBondContact CD1-ND2 3.23Å; R119-N537 WeakPolarHBondContact CD-O 3.32Å; R119-N537 PolarHBondContact NH1-O 3.02Å; P431-N537 PolarHBondContact O-ND2 3.12Å; M432-N537 WeakPolarHBondContact CA-OD1 3.46Å; H433-N537 PolarHBondContact CD2-ND2 3.15Å; H433-N537 PolarHBondContact N-OD1 2.69Å; F436-N537 HydrophobicContact CD2-CB 4.09Å; F436-N537 HydrophobicContact CE2-CB 3.79Å; F436-N537 VanDerWaalsContact CE2-N 3.34Å; N537-L539 VanDerWaalsContact C-N 3.3Å
538L93.5Very high75.8Confident15 Ų1544.6 Ų44.68%0.07922%0.223CC..THydrogen-bonded Turntrans-69.9-30.8177.4-52.3-179.8000111.7L64 R119 A407 P431 M432 S536L64-L538 HydrophobicContact CD1-CD2 3.7Å; R119-L538 PolarHBondContact NH1-O 2.8Å; R119-L538 VanDerWaalsContact NH1-O 3.13Å; A407-L538 HydrophobicContact CB-CB 3.63Å; A407-L538 HydrophobicContact CB-CD1 3.86Å; A407-L538 HydrophobicContact CB-CG 4.4Å; P431-L538 HydrophobicContact CG-CD2 3.84Å; M432-L538 HydrophobicContact CG-CD1 3.98Å; M432-L538 HydrophobicContact CG-CG 4.32Å; S536-L538 PolarHBondContact O-N 2.96Å; S536-L538 WeakPolarHBondContact OG-CB 3.44Å; S536-L538 WeakPolarHBondContact OG-CG 3.41Å; S536-L538 PolarHBondContact OG-N 3.19Å
539L93.4Very high73.3Confident1 Ų146.6 Ų46.61%0.00524%0.237CC..SBendtrans-86.5146-179.9-62.9-175.9000112.2H120 R402 L403 A407 E534 S536 N537H120-L539 PolarHBondContact CD2-O 3.27Å; H120-L539 PolarHBondContact N-O 2.84Å; R402-L539 WeakPolarHBondContact O-CD2 3.43Å; L403-L539 CarbonylContact O-C 3.47Å; L403-L539 WeakPolarHBondContact O-CA 3.27Å; A407-L539 HydrophobicContact CB-CD2 4.12Å; E534-L539 WeakPolarHBondContact O-CD1 3.49Å; S536-L539 PolarHBondContact O-N 2.93Å; S536-L539 VanDerWaalsContact O-N 3.09Å; N537-L539 VanDerWaalsContact C-N 3.3Å
540V92.6Very high70.9Confident0 Ų049 Ų490%024%0.244CC..EExtended strand (participates in β ladder)trans-97.8121.7176.9-177.80000109F104 V117 L134 L403F104-V540 HydrophobicContact CD1-CG1 4.09Å; F104-V540 HydrophobicContact CD2-CG1 4.25Å; F104-V540 HydrophobicContact CE1-CB 4.34Å; F104-V540 HydrophobicContact CE1-CG1 3.96Å; F104-V540 HydrophobicContact CE2-CB 4.29Å; F104-V540 HydrophobicContact CE2-CG1 4.12Å; F104-V540 HydrophobicContact CE2-CG2 3.9Å; F104-V540 HydrophobicContact CG-CG1 4.23Å; F104-V540 HydrophobicContact CZ-CB 4Å; F104-V540 HydrophobicContact CZ-CG1 3.97Å; F104-V540 HydrophobicContact CZ-CG2 4.02Å; V117-V540 HydrophobicContact CG1-CG1 3.19Å; L134-V540 HydrophobicContact CD1-CB 4.47Å; L134-V540 HydrophobicContact CD1-CG1 4.09Å; L134-V540 HydrophobicContact CD1-CG2 3.55Å; L403-V540 HydrophobicContact CB-CG2 4.26Å; L403-V540 HydrophobicContact CD2-CG2 4.25Å; L403-V540 WeakPolarHBondContact O-CB 3.21Å; L403-V540 PolarHBondContact O-N 3.07Å
541K87.8Confident68.4Low85 Ų8548.5 Ų48.537%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-86.4120.7174.9-175.1-175.1175.8-170.10110.1V117 S118 D546V117-K541 WeakPolarHBondContact CA-O 3.28Å; S118-K541 PolarHBondContact N-O 2.68Å; S118-K541 VanDerWaalsContact N-O 3.09Å; S118-K541 WeakPolarHBondContact O-CA 3.39Å; S118-K541 WeakPolarHBondContact O-CB 3.38Å; S118-K541 PolarHBondContact O-N 3.1Å; K541-D546 VanDerWaalsContact CA-OD2 3.32Å; K541-D546 WeakPolarHBondContact CA-OD2 3.4Å
542R86.8Confident66.1Low3 Ų345.2 Ų45.21%0.01123%0.234CC..EExtended strand (participates in β ladder)trans-105.7110.3176.2-60.8170-61170.38.6109.5F104 G310 D356 G544 I545 D546F104-R542 HydrophobicContact CD1-CG 4.47Å; G310-R542 WeakPolarHBondContact O-CD 3.42Å; D356-R542 IonicContact OD1-CZ 3.63Å; D356-R542 IonicContact OD1-NH1 3.12Å; D356-R542 PolarHBondContact OD1-NH1 2.82Å; D356-R542 IonicContact OD1-NH2 3.76Å; D356-R542 IonicContact OD2-CZ 4Å; D356-R542 IonicContact OD2-NH1 2.79Å; D356-R542 PolarHBondContact OD2-NH1 3.06Å; D356-R542 IonicContact OD2-NH2 2.7Å; D356-R542 PolarHBondContact OD2-NH2 3.4Å; R542-G544 PolarHBondContact O-N 3.11Å; R542-I545 HydrophobicContact CB-CB 4.44Å; R542-I545 PolarHBondContact O-N 3.02Å; R542-D546 IonicContact CZ-OD1 2.7Å; R542-D546 PolarHBondContact N-OD2 2.83Å; R542-D546 IonicContact NE-OD1 3.1Å; R542-D546 IonicContact NH2-OD1 2.56Å; R542-D546 PolarHBondContact NH2-OD1 3.48Å; R542-D546 PolarHBondContact O-N 2.88Å
543Q67.4Low64.1Low101 Ų10144.1 Ų44.147%0.47223%0.233SC..THydrogen-bonded Turntrans-63.3136-176.6-162169.914.200110.7P115 T116 I545P115-Q543 HydrophobicContact CB-CB 4.38Å; P115-Q543 WeakPolarHBondContact CB-O 3.4Å; T116-Q543 VanDerWaalsContact O-CB 3.29Å; T116-Q543 WeakPolarHBondContact O-CB 3.48Å; T116-Q543 PolarHBondContact O-N 2.85Å; T116-Q543 VanDerWaalsContact O-N 3.11Å; T116-Q543 PolarHBondContact OG1-OE1 3.34Å; Q543-I545 VanDerWaalsContact C-N 3.32Å; Q543-I545 PolarHBondContact O-N 3.22Å
544G57Low62.3Low40 Ų4045.4 Ų45.441%0.41223%0.232SC..THydrogen-bonded Turntrans86.6-28.8-179.400000116.1R542R542-G544 PolarHBondContact O-N 3.11Å
545I54.2Low60Low46 Ų4648.1 Ų48.124%0.23625%0.251CS..THydrogen-bonded Turntrans-92.5-47.6176.1-63.8170.7000110.5T311 R542 Q543 K547 R548 S549T311-I545 WeakPolarHBondContact O-CD1 3.44Å; R542-I545 HydrophobicContact CB-CB 4.44Å; R542-I545 PolarHBondContact O-N 3.02Å; Q543-I545 VanDerWaalsContact C-N 3.32Å; Q543-I545 PolarHBondContact O-N 3.22Å; I545-K547 VanDerWaalsContact C-N 3.29Å; I545-K547 PolarHBondContact O-N 3.39Å; I545-R548 WeakPolarHBondContact O-CB 3.5Å; I545-R548 PolarHBondContact O-N 3.3Å; I545-S549 PolarHBondContact O-N 3.38Å
546D43.5Very low57.9Low6 Ų645.5 Ų45.53%0.03224%0.237CC..Hα-helixtrans-69.9-27.2-175.1-66.8-12.7000112.8R358 K541 R542 R548 S549 Y550R358-D546 IonicContact CZ-OD1 2.64Å; R358-D546 IonicContact CZ-OD2 2.8Å; R358-D546 IonicContact NE-OD1 3.1Å; R358-D546 IonicContact NH1-OD1 2.76Å; R358-D546 PolarHBondContact NH1-OD1 3.1Å; R358-D546 IonicContact NH2-OD1 3.15Å; R358-D546 PolarHBondContact NH2-OD1 3.3Å; R358-D546 IonicContact NH2-OD2 3.38Å; R358-D546 PolarHBondContact NH2-OD2 3.32Å; R358-D546 VanDerWaalsContact NH2-OD2 3.17Å; K541-D546 VanDerWaalsContact CA-OD2 3.32Å; K541-D546 WeakPolarHBondContact CA-OD2 3.4Å; R542-D546 IonicContact CZ-OD1 2.7Å; R542-D546 PolarHBondContact N-OD2 2.83Å; R542-D546 IonicContact NE-OD1 3.1Å; R542-D546 IonicContact NH2-OD1 2.56Å; R542-D546 PolarHBondContact NH2-OD1 3.48Å; R542-D546 PolarHBondContact O-N 2.88Å; D546-R548 PolarHBondContact O-N 3.17Å; D546-S549 PolarHBondContact O-N 3.45Å; D546-Y550 HydrophobicContact CB-CD2 4.09Å; D546-Y550 HydrophobicContact CB-CE2 4.12Å; D546-Y550 WeakPolarHBondContact O-CD2 3.37Å; D546-Y550 PolarHBondContact O-N 3.22Å
547K39.3Very low55.5Low103 Ų10349.3 Ų49.345%0.44826%0.257SS..Hα-helixtrans-67.4-19.9171.9-78.7-172176.1-176.50112.9I545 S551 E1138I545-K547 VanDerWaalsContact C-N 3.29Å; I545-K547 PolarHBondContact O-N 3.39Å; K547-S551 PolarHBondContact O-OG 2.92Å; K547-E1138 VanDerWaalsContact NZ-CD 3.3Å; K547-E1138 IonicContact NZ-OE1 3.69Å; K547-E1138 PolarHBondContact NZ-OE1 2.55Å; K547-E1138 IonicContact NZ-OE2 3.75Å; K547-E1138 PolarHBondContact NZ-OE2 2.86Å
548R36.4Very low53.4Low102 Ų10252.7 Ų52.739%0.38528%0.275SS..Hα-helixtrans-80.8-40.9176.5-68.3176.4172.1166.81.8111.3I545 D546 S551 H924I545-R548 WeakPolarHBondContact O-CB 3.5Å; I545-R548 PolarHBondContact O-N 3.3Å; D546-R548 PolarHBondContact O-N 3.17Å; R548-S551 WeakPolarHBondContact O-CB 3.45Å; R548-S551 PolarHBondContact O-OG 3.07Å; R548-H924 PolarHBondContact NE-NE2 3.44Å; R548-H924 PolarHBondContact NH2-NE2 2.86Å
549S36.1Very low51Low43 Ų4357.4 Ų57.430%0.30131%0.305SS..Hα-helixtrans-96.2-20.8-173.9-54.90000116.2I545 D546 S551 D552I545-S549 PolarHBondContact O-N 3.38Å; D546-S549 PolarHBondContact O-N 3.45Å; S549-S551 PolarHBondContact O-N 3.46Å; S549-S551 VanDerWaalsContact O-N 3.13Å; S549-D552 PolarHBondContact O-N 2.9Å
550Y34.7Very low49.1Very low90 Ų9059.5 Ų59.535%0.35331%0.314SS..THydrogen-bonded Turntrans-64.7-13.3169.7-87.3-69.9000112.6I535 D546 D552I535-Y550 HydrophobicContact CD1-CE1 3.59Å; I535-Y550 WeakPolarHBondContact CD1-OH 3.42Å; I535-Y550 HydrophobicContact CG1-CE1 4.13Å; I535-Y550 WeakPolarHBondContact CG1-OH 3.42Å; D546-Y550 HydrophobicContact CB-CD2 4.09Å; D546-Y550 HydrophobicContact CB-CE2 4.12Å; D546-Y550 WeakPolarHBondContact O-CD2 3.37Å; D546-Y550 PolarHBondContact O-N 3.22Å; Y550-D552 VanDerWaalsContact C-N 3.29Å
551S32.8Very low47.6Very low23 Ų2362.5 Ų62.516%0.16133%0.33CS..THydrogen-bonded Turntrans-69.3-22.8171.3-25.60000113.3K547 R548 S549K547-S551 PolarHBondContact O-OG 2.92Å; R548-S551 WeakPolarHBondContact O-CB 3.45Å; R548-S551 PolarHBondContact O-OG 3.07Å; S549-S551 PolarHBondContact O-N 3.46Å; S549-S551 VanDerWaalsContact O-N 3.13Å
552D32.3Very low46.5Very low64 Ų6459.1 Ų59.134%0.34232%0.315SS..SBendtrans-87.9-18.7-168.5-70.1-35000114.4S549 Y550S549-D552 PolarHBondContact O-N 2.9Å; Y550-D552 VanDerWaalsContact C-N 3.29Å
553C34Very low45.9Very low53 Ų5361.8 Ų61.836%0.35833%0.327SS..SBendtrans-109.569.7178.7-164.50000110.4T699C553-T699 PolarHBondContact SG-O 3.13Å; C553-T699 VanDerWaalsContact SG-O 3.33Å
554L35.6Very low46.3Very low83 Ų8360.9 Ų60.944%0.43532%0.322SS..  trans-132.2127.6173.6-71.1170.9000110.1L556 N1003L554-L556 PolarHBondContact O-N 3.19Å; L554-N1003 WeakPolarHBondContact CB-ND2 3.49Å; L554-N1003 HydrophobicContact CD1-CB 3.99Å
555T36Very low47.5Very low78 Ų7866.2 Ų66.248%0.47934%0.337SS..  trans-47.6128.5-179.1-35.40000111.2N557T555-N557 PolarHBondContact O-N 2.83Å
556L40.7Very low48.9Very low18 Ų1864.3 Ų64.39%0.09433%0.327CS..  trans-65121170.5-71.8160.7000108.5L554 L558 Q636 L702 Q1002L554-L556 PolarHBondContact O-N 3.19Å; L556-L558 PolarHBondContact O-N 2.8Å; L556-L558 VanDerWaalsContact O-N 3.14Å; L556-Q636 HydrophobicContact CD1-CB 4.4Å; L556-Q636 HydrophobicContact CD2-CB 4.4Å; L556-L702 HydrophobicContact CB-CD2 4.28Å; L556-L702 HydrophobicContact CD1-CD1 3.56Å; L556-L702 HydrophobicContact CD1-CD2 3.73Å; L556-L702 HydrophobicContact CD1-CG 3.91Å; L556-L702 HydrophobicContact CG-CD2 4.5Å; L556-Q1002 HydrophobicContact CD2-CG 4.19Å
557N40.2Very low50.8Low80 Ų8068.7 Ų68.743%0.42835%0.346SS..  trans-73.4103.8172.2-171.60000109.5T555 T559 Q1002T555-N557 PolarHBondContact O-N 2.83Å; N557-T559 VanDerWaalsContact CG-OG1 3.22Å; N557-T559 PolarHBondContact ND2-OG1 2.83Å; N557-T559 VanDerWaalsContact ND2-OG1 3.08Å; N557-T559 PolarHBondContact O-N 3.46Å; N557-T559 WeakPolarHBondContact OD1-CB 3.21Å; N557-T559 VanDerWaalsContact OD1-CG2 3.23Å; N557-T559 WeakPolarHBondContact OD1-CG2 3.06Å; N557-T559 PolarHBondContact OD1-N 2.75Å; N557-T559 VanDerWaalsContact OD1-N 3.12Å; N557-T559 PolarHBondContact OD1-OG1 3.01Å; N557-Q1002 PolarHBondContact O-NE2 3.48Å
558L48Very low52.8Low72 Ų7266.9 Ų66.938%0.37734%0.341SS..THydrogen-bonded Turntrans-74.6-0.3179.3-67168.1000113.6L556 E560 L633L556-L558 PolarHBondContact O-N 2.8Å; L556-L558 VanDerWaalsContact O-N 3.14Å; L558-E560 PolarHBondContact O-N 3.46Å; L558-E560 VanDerWaalsContact O-N 3.15Å; L558-L633 HydrophobicContact CD2-CD1 4.44Å
559T41.5Very low55Low114 Ų11469.5 Ų69.570%0.69936%0.355SS*.THydrogen-bonded Turntrans-69.5-9-179.462.30000114.5N557N557-T559 VanDerWaalsContact CG-OG1 3.22Å; N557-T559 PolarHBondContact ND2-OG1 2.83Å; N557-T559 VanDerWaalsContact ND2-OG1 3.08Å; N557-T559 PolarHBondContact O-N 3.46Å; N557-T559 WeakPolarHBondContact OD1-CB 3.21Å; N557-T559 VanDerWaalsContact OD1-CG2 3.23Å; N557-T559 WeakPolarHBondContact OD1-CG2 3.06Å; N557-T559 PolarHBondContact OD1-N 2.75Å; N557-T559 VanDerWaalsContact OD1-N 3.12Å; N557-T559 PolarHBondContact OD1-OG1 3.01Å
560E53.8Low57.3Low45 Ų4568.9 Ų68.921%0.2135%0.348CS..SBendtrans-125.4120.1175.5-69-175.5151.400110.2L558 R562 H961 R962L558-E560 PolarHBondContact O-N 3.46Å; L558-E560 VanDerWaalsContact O-N 3.15Å; E560-R562 WeakPolarHBondContact O-CG 3.31Å; E560-R562 IonicContact OE2-NH2 3.73Å; E560-H961 IonicContact OE2-CD2 3.98Å; E560-H961 PolarHBondContact OE2-CD2 3.33Å; E560-H961 IonicContact OE2-CG 2.94Å; E560-R962 WeakPolarHBondContact OE1-CA 3.45Å; E560-R962 WeakPolarHBondContact OE1-CB 3.23Å; E560-R962 PolarHBondContact OE1-N 2.92Å
561L62.1Low59.9Low64 Ų6465.4 Ų65.434%0.33534%0.335SS..  trans-70.3131.6177.3-66.5177.8000112.1F563 L625 Y628 E629L561-F563 HydrophobicContact CB-CE1 3.97Å; L561-L625 HydrophobicContact CD1-CD1 3.65Å; L561-L625 HydrophobicContact CG-CD1 4.49Å; L561-Y628 HydrophobicContact CD1-CD2 3.88Å; L561-Y628 HydrophobicContact CD1-CG 4.15Å; L561-Y628 WeakPolarHBondContact CD2-O 3.41Å; L561-E629 HydrophobicContact CD2-CB 4.2Å; L561-E629 HydrophobicContact CD2-CG 3.69Å; L561-E629 VanDerWaalsContact CD2-N 3.28Å
562R64.9Low62.6Low13 Ų1369.9 Ų69.95%0.04935%0.351CS..  trans-140.4106.3-174.2-53.6-172.7-168.7180-1.8113E560 S632 S635 Y957 H961E560-R562 WeakPolarHBondContact O-CG 3.31Å; E560-R562 IonicContact OE2-NH2 3.73Å; R562-S632 WeakPolarHBondContact CA-OG 3.46Å; R562-S632 PolarHBondContact N-OG 2.75Å; R562-S632 VanDerWaalsContact O-CA 3.23Å; R562-S632 WeakPolarHBondContact O-CA 3.28Å; R562-S632 PolarHBondContact O-OG 3.14Å; R562-S635 WeakPolarHBondContact O-CB 3.4Å; R562-Y957 PolarHBondContact NH1-OH 2.9Å; R562-Y957 PolarHBondContact NH2-OH 3.28Å; R562-H961 WeakPolarHBondContact CD-NE2 3.37Å; R562-H961 PolarHBondContact NE-CD2 3.22Å; R562-H961 PolarHBondContact NE-NE2 3.13Å
563F73.8Confident65.4Low60 Ų6070 Ų7026%0.26335%0.35SS..  trans-157162172.739.9-98.1000109.6L561 Y628 A631 S635 V648L561-F563 HydrophobicContact CB-CE1 3.97Å; F563-Y628 HydrophobicContact CE1-CD1 4.24Å; F563-Y628 HydrophobicContact CE1-CG 4.11Å; F563-Y628 AromaticContact CZ-CD1 3.83Å; F563-Y628 HydrophobicContact CZ-CD1 3.83Å; F563-Y628 HydrophobicContact CZ-CD2 4.47Å; F563-Y628 HydrophobicContact CZ-CE1 4.44Å; F563-Y628 AromaticContact CZ-CG 3.86Å; F563-Y628 HydrophobicContact CZ-CG 3.86Å; F563-A631 HydrophobicContact CD1-CB 3.93Å; F563-A631 HydrophobicContact CE1-CB 4.44Å; F563-A631 HydrophobicContact CG-CB 4.38Å; F563-S635 WeakPolarHBondContact CB-OG 3.47Å; F563-V648 HydrophobicContact CB-CG2 4.15Å; F563-V648 HydrophobicContact CD1-CG2 4.07Å; F563-V648 HydrophobicContact CD2-CB 3.51Å; F563-V648 HydrophobicContact CD2-CG1 4.45Å; F563-V648 HydrophobicContact CD2-CG2 3.45Å; F563-V648 VanDerWaalsContact CD2-CG2 3.45Å; F563-V648 HydrophobicContact CE1-CG2 4.36Å; F563-V648 HydrophobicContact CE2-CB 3.62Å; F563-V648 HydrophobicContact CE2-CG1 4.09Å; F563-V648 HydrophobicContact CE2-CG2 3.77Å; F563-V648 HydrophobicContact CG-CB 4.2Å; F563-V648 HydrophobicContact CG-CG2 3.6Å; F563-V648 HydrophobicContact CZ-CB 4.4Å; F563-V648 HydrophobicContact CZ-CG2 4.22Å
564H76.3Confident68.1Low81 Ų8171.3 Ų71.338%0.37535%0.351SS..PPolyproline II helixtrans-70.5130.9172.7-178.452.4000110.3H646 G647 V648 R870H564-H646 WeakPolarHBondContact CB-O 3.5Å; H564-G647 CarbonylContact O-C 3.56Å; H564-G647 WeakPolarHBondContact O-CA 3.44Å; H564-V648 PolarHBondContact O-N 3.15Å; H564-R870 PolarHBondContact CD2-NH1 3.32Å; H564-R870 PolarHBondContact ND1-NH1 2.95Å; H564-R870 VanDerWaalsContact ND1-NH1 3.16Å
565Q80.8Confident70.8Confident152 Ų15272.7 Ų72.771%0.7136%0.355SS*.EExtended strand (participates in β ladder)trans-86.3117.3173.9-170.3178.716.700109.8V648Q565-V648 WeakPolarHBondContact CA-O 3.22Å
566I84.3Confident73.5Confident6 Ų673 Ų733%0.03135%0.35CS..EExtended strand (participates in β ladder)trans-95137.2175.9-61.7168.4000107.9E570 I571 L590 H646 V648 S649 V658I566-E570 HydrophobicContact CG2-CB 4.02Å; I566-I571 HydrophobicContact CG2-CG2 3.74Å; I566-L590 HydrophobicContact CD1-CD1 4.24Å; I566-L590 HydrophobicContact CG2-CD1 3.74Å; I566-H646 HydrophobicContact CD1-CB 4.03Å; I566-V648 PolarHBondContact N-O 2.9Å; I566-S649 WeakPolarHBondContact O-CA 3.39Å; I566-S649 PolarHBondContact O-OG 3.34Å; I566-V658 HydrophobicContact CD1-CB 3.69Å; I566-V658 HydrophobicContact CD1-CG1 4.1Å; I566-V658 HydrophobicContact CD1-CG2 3.68Å
567K83.9Confident75.7Confident99 Ų9975.7 Ų75.743%0.4337%0.365SS..PPolyproline II helixtrans-80.6144177.7-60.6178.5-178.7175.30109.5K569 E570K567-K569 HydrophobicContact CB-CG 4.15Å; K567-K569 PolarHBondContact O-N 2.82Å; K567-K569 VanDerWaalsContact O-N 3.14Å; K567-E570 HydrophobicContact CB-CG 4.07Å; K567-E570 PolarHBondContact N-OE2 3.36Å; K567-E570 WeakPolarHBondContact O-CA 3.27Å; K567-E570 VanDerWaalsContact O-CB 3.29Å; K567-E570 WeakPolarHBondContact O-CB 3.49Å; K567-E570 PolarHBondContact O-N 3.39Å
568D80.9Confident77.9Confident64 Ų6473 Ų7334%0.34236%0.356SS..G310 helixtrans-51.5-41.2178.417743.7000113.2E570 I571 K651D568-E570 PolarHBondContact O-N 2.97Å; D568-E570 VanDerWaalsContact O-N 3.08Å; D568-I571 WeakPolarHBondContact O-CG1 3.44Å; D568-I571 PolarHBondContact O-N 3.41Å; D568-I571 VanDerWaalsContact O-N 3.1Å; D568-K651 WeakPolarHBondContact OD1-CB 3.42Å; D568-K651 WeakPolarHBondContact OD1-CD 3.39Å; D568-K651 VanDerWaalsContact OD1-CE 3.3Å; D568-K651 WeakPolarHBondContact OD1-CE 3.4Å; D568-K651 WeakPolarHBondContact OD1-CG 3.21Å; D568-K651 IonicContact OD1-NZ 2.59Å
569K83Confident79.7Confident157 Ų15777.6 Ų77.668%0.68337%0.368SS*.G310 helixtrans-65-12.317768.1178.5-177.3175.70115.4K567K567-K569 HydrophobicContact CB-CG 4.15Å; K567-K569 PolarHBondContact O-N 2.82Å; K567-K569 VanDerWaalsContact O-N 3.14Å
570E84.1Confident81.6Confident31 Ų3173.3 Ų73.315%0.14535%0.347CS..G310 helixtrans-91.3-9.2179.3-63.5165.8172.900111.3I566 K567 D568 L590 M591I566-E570 HydrophobicContact CG2-CB 4.02Å; K567-E570 HydrophobicContact CB-CG 4.07Å; K567-E570 PolarHBondContact N-OE2 3.36Å; K567-E570 WeakPolarHBondContact O-CA 3.27Å; K567-E570 VanDerWaalsContact O-CB 3.29Å; K567-E570 WeakPolarHBondContact O-CB 3.49Å; K567-E570 PolarHBondContact O-N 3.39Å; D568-E570 PolarHBondContact O-N 2.97Å; D568-E570 VanDerWaalsContact O-N 3.08Å; E570-L590 HydrophobicContact CB-CD1 4.42Å; E570-L590 CarbonylContact O-C 3.59Å; E570-L590 WeakPolarHBondContact O-CA 3.5Å; E570-M591 PolarHBondContact O-N 3.47Å
571I89.5Confident82.8Confident17 Ų1773.2 Ų73.29%0.08735%0.349CS..EExtended strand (participates in β ladder)trans-116.2139.417955.6167000111.9I566 D568 E589 L590 L613 S649 I656 V658I566-I571 HydrophobicContact CG2-CG2 3.74Å; D568-I571 WeakPolarHBondContact O-CG1 3.44Å; D568-I571 PolarHBondContact O-N 3.41Å; D568-I571 VanDerWaalsContact O-N 3.1Å; I571-E589 WeakPolarHBondContact CA-O 3.41Å; I571-L590 HydrophobicContact CG2-CD1 3.82Å; I571-L613 HydrophobicContact CG2-CD2 4.46Å; I571-S649 WeakPolarHBondContact CD1-OG 3.44Å; I571-I656 HydrophobicContact CD1-CD1 3.79Å; I571-I656 HydrophobicContact CD1-CG2 4.41Å; I571-V658 HydrophobicContact CG2-CG2 4.24Å
572K89.1Confident83.8Confident117 Ų11771.7 Ų71.751%0.50934%0.339SS..EExtended strand (participates in β ladder)trans-122.2119.7171.3-176.4-175.8170.9-1590109G588 E589K572-G588 CarbonylContact O-C 3.55Å; K572-G588 WeakPolarHBondContact O-CA 3.29Å; K572-E589 HydrophobicContact CB-CB 4.4Å; K572-E589 PolarHBondContact N-O 3.26Å; K572-E589 PolarHBondContact O-N 2.84Å
573Q91Very high84.8Confident67 Ų6771.7 Ų71.731%0.31334%0.341SS..EExtended strand (participates in β ladder)trans-80.5138.6175.4-176.5-178.7-10.900110.5Y586 L613Q573-Y586 HydrophobicContact CG-CD1 4.05Å; Q573-Y586 HydrophobicContact CG-CG 4.01Å; Q573-Y586 VanDerWaalsContact NE2-CZ 3.34Å; Q573-L613 HydrophobicContact CB-CD1 3.85Å; Q573-L613 HydrophobicContact CG-CD1 4.2Å
574E91.4Very high85.6Confident79 Ų7970 Ų7037%0.36933%0.334SS..EExtended strand (participates in β ladder)trans-116.8-135.7177.3-56.7-166.7160.700110.9L587E574-L587 WeakPolarHBondContact CA-O 3.29Å; E574-L587 HydrophobicContact CB-CB 4.24Å; E574-L587 HydrophobicContact CB-CG 4.4Å; E574-L587 WeakPolarHBondContact CB-O 3.46Å; E574-L587 PolarHBondContact N-O 3.01Å; E574-L587 WeakPolarHBondContact OE2-CD2 3.33Å
575H90.9Very high86.3Confident112 Ų11267.6 Ų67.652%0.51932%0.324SS..EExtended strand (participates in β ladder)trans-82.6156-174.663.7-87.4000113Y586 L587H575-Y586 WeakPolarHBondContact O-CA 3.33Å; H575-L587 WeakPolarHBondContact CE1-CD2 3.49Å; H575-L587 PolarHBondContact O-N 3.3Å
576H92.7Very high86.9Confident84 Ų8463 Ų6339%0.38930%0.3SS..EExtended strand (participates in β ladder)trans-76.4128.3-178.1-176.2-82.3000111.3G578 N584 Y586H576-G578 WeakPolarHBondContact CE1-CA 3.35Å; H576-G578 PolarHBondContact CE1-N 2.82Å; H576-G578 PolarHBondContact CE1-O 2.91Å; H576-G578 PolarHBondContact ND1-N 3.17Å; H576-G578 PolarHBondContact NE2-O 3.21Å; H576-N584 PolarHBondContact NE2-OD1 2.78Å; H576-Y586 HydrophobicContact CB-CD1 3.9Å; H576-Y586 HydrophobicContact CB-CE1 3.72Å; H576-Y586 AromaticContact CD2-CE1 3.64Å; H576-Y586 AromaticContact CD2-CZ 3.56Å
577L87.4Confident87.3Confident76 Ų7662.9 Ų62.940%0.39830%0.3SS..EExtended strand (participates in β ladder)trans-97.9-29.4-179-63.9176.1000112.7I585 L587 V612 Y661L577-I585 HydrophobicContact CB-CG2 4.3Å; L577-I585 PolarHBondContact N-O 2.84Å; L577-L587 HydrophobicContact CD1-CB 4.05Å; L577-L587 HydrophobicContact CD2-CB 4.29Å; L577-L587 HydrophobicContact CG-CB 4.18Å; L577-V612 HydrophobicContact CD1-CG2 4.26Å; L577-Y661 HydrophobicContact CD1-CE2 4.4Å
578G86.8Confident87.6Confident23 Ų2358.1 Ų58.124%0.23728%0.279CS..EExtended strand (participates in β ladder)trans162.4-173.5-17900000113.9H576 I585H576-G578 WeakPolarHBondContact CE1-CA 3.35Å; H576-G578 PolarHBondContact CE1-N 2.82Å; H576-G578 PolarHBondContact CE1-O 2.91Å; H576-G578 PolarHBondContact ND1-N 3.17Å; H576-G578 PolarHBondContact NE2-O 3.21Å; G578-I585 PolarHBondContact N-O 2.77Å; G578-I585 WeakPolarHBondContact O-CB 3.23Å; G578-I585 PolarHBondContact O-N 3.3Å
579R85.6Confident88.1Confident168 Ų16857 Ų5763%0.63427%0.272SS*.EExtended strand (participates in β ladder)trans-116.5131.3176.6-69.5-172.8177.4169.11.5111.8N584 K710R579-N584 WeakPolarHBondContact CG-OD1 3.28Å; R579-N584 PolarHBondContact NE-OD1 3Å; R579-K710 PolarHBondContact O-NZ 2.84Å
580G81.6Confident88.2Confident25 Ų2550.4 Ų50.426%0.25824%0.244SC..EExtended strand (participates in β ladder)trans-94.3-172.8166.400000111.2R582 T583G580-R582 PolarHBondContact O-N 2.93Å; G580-R582 VanDerWaalsContact O-N 3.15Å; G580-T583 WeakPolarHBondContact CA-OG1 3.42Å; G580-T583 PolarHBondContact N-O 3.45Å
581T78.4Confident88.2Confident42 Ų4252 Ų5226%0.25825%0.252SS..THydrogen-bonded Turntrans-70.8109.2172.8-55.60000109.3T583 L739 R747T581-T583 PolarHBondContact O-N 2.09Å; T581-L739 HydrophobicContact CG2-CD2 3.63Å; T581-R747 PolarHBondContact OG1-NH2 2.73Å
582R82.8Confident87.1Confident33 Ų3354.5 Ų54.513%0.12527%0.265CS..THydrogen-bonded Turntrans59.220.9-178.2-53.4179.7-175.5-173.44.6114.4G580 E617 E743G580-R582 PolarHBondContact O-N 2.93Å; G580-R582 VanDerWaalsContact O-N 3.15Å; R582-E617 PolarHBondContact O-N 3.41Å; R582-E743 IonicContact CZ-OE1 3.6Å; R582-E743 IonicContact CZ-OE2 2.7Å; R582-E743 IonicContact NE-OE1 2.78Å; R582-E743 PolarHBondContact NE-OE1 3.03Å; R582-E743 IonicContact NE-OE2 3.44Å; R582-E743 IonicContact NH2-OE1 3.42Å; R582-E743 PolarHBondContact NH2-OE1 2.99Å; R582-E743 IonicContact NH2-OE2 3.89Å; R582-E743 PolarHBondContact NH2-OE2 3.11Å
583T87.1Confident85.6Confident13 Ų1356.9 Ų56.98%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-134.5142.6-179.756.70000111.2G580 T581 I615 L616G580-T583 WeakPolarHBondContact CA-OG1 3.42Å; G580-T583 PolarHBondContact N-O 3.45Å; T581-T583 PolarHBondContact O-N 2.09Å; T583-I615 CarbonylContact C-O 3.51Å; T583-I615 VanDerWaalsContact CA-O 3.23Å; T583-I615 WeakPolarHBondContact CA-O 3.42Å; T583-L616 HydrophobicContact CG2-CD1 4.14Å
584N90.3Very high83.4Confident25 Ų2562 Ų6213%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-102.3133.4169.2-68.9-86.4000108.9H576 R579 Y586 I615 E617H576-N584 PolarHBondContact NE2-OD1 2.78Å; R579-N584 WeakPolarHBondContact CG-OD1 3.28Å; R579-N584 PolarHBondContact NE-OD1 3Å; N584-Y586 HydrophobicContact CB-CD2 4.39Å; N584-Y586 HydrophobicContact CB-CE2 3.57Å; N584-I615 PolarHBondContact N-O 3Å; N584-I615 PolarHBondContact O-N 3.37Å; N584-E617 WeakPolarHBondContact ND2-CG 3.45Å; N584-E617 PolarHBondContact ND2-OE1 3.21Å
585I91.5Very high80.8Confident30 Ų3061.1 Ų61.115%0.15430%0.302CS..EExtended strand (participates in β ladder)trans-108.5123.6-171.5-48.4-177000108.3L577 G578 V612 K614L577-I585 HydrophobicContact CB-CG2 4.3Å; L577-I585 PolarHBondContact N-O 2.84Å; G578-I585 PolarHBondContact N-O 2.77Å; G578-I585 WeakPolarHBondContact O-CB 3.23Å; G578-I585 PolarHBondContact O-N 3.3Å; I585-V612 HydrophobicContact CG2-CG1 3.35Å; I585-K614 HydrophobicContact CG1-CG 4.18Å; I585-K614 HydrophobicContact CG2-CG 4.24Å
586Y93Very high78.1Confident54 Ų5463.7 Ų63.721%0.21232%0.319CS..EExtended strand (participates in β ladder)trans-123.9151.4-179.8-64.1-96.3000111Q573 H575 H576 N584 V612 L613 I615Q573-Y586 HydrophobicContact CG-CD1 4.05Å; Q573-Y586 HydrophobicContact CG-CG 4.01Å; Q573-Y586 VanDerWaalsContact NE2-CZ 3.34Å; H575-Y586 WeakPolarHBondContact O-CA 3.33Å; H576-Y586 HydrophobicContact CB-CD1 3.9Å; H576-Y586 HydrophobicContact CB-CE1 3.72Å; H576-Y586 AromaticContact CD2-CE1 3.64Å; H576-Y586 AromaticContact CD2-CZ 3.56Å; N584-Y586 HydrophobicContact CB-CD2 4.39Å; N584-Y586 HydrophobicContact CB-CE2 3.57Å; Y586-V612 WeakPolarHBondContact O-CA 3.38Å; Y586-L613 PolarHBondContact N-O 3.29Å; Y586-L613 PolarHBondContact O-N 3.48Å; Y586-I615 HydrophobicContact CD2-CD1 3.67Å; Y586-I615 HydrophobicContact CD2-CG1 4.03Å; Y586-I615 HydrophobicContact CE2-CD1 3.81Å; Y586-I615 HydrophobicContact CE2-CG1 4.31Å
587L91.8Very high75.3Confident4 Ų466.9 Ų66.92%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-71145.9160.4-176.863.9000108.5E574 H575 L577 Y661E574-L587 WeakPolarHBondContact CA-O 3.29Å; E574-L587 HydrophobicContact CB-CB 4.24Å; E574-L587 HydrophobicContact CB-CG 4.4Å; E574-L587 WeakPolarHBondContact CB-O 3.46Å; E574-L587 PolarHBondContact N-O 3.01Å; E574-L587 WeakPolarHBondContact OE2-CD2 3.33Å; H575-L587 WeakPolarHBondContact CE1-CD2 3.49Å; H575-L587 PolarHBondContact O-N 3.3Å; L577-L587 HydrophobicContact CD1-CB 4.05Å; L577-L587 HydrophobicContact CD2-CB 4.29Å; L577-L587 HydrophobicContact CG-CB 4.18Å; L587-Y661 HydrophobicContact CD1-CD2 3.34Å; L587-Y661 HydrophobicContact CD1-CE2 3.56Å; L587-Y661 HydrophobicContact CD1-CG 3.9Å
588G91.3Very high73.2Confident0 Ų066.2 Ų66.20%035%0.351CS..EExtended strand (participates in β ladder)trans-149.3175172.700000113.3K572 V611K572-G588 CarbonylContact O-C 3.55Å; K572-G588 WeakPolarHBondContact O-CA 3.29Å; G588-V611 PolarHBondContact N-O 3Å; G588-V611 WeakPolarHBondContact O-CG2 3.39Å; G588-V611 PolarHBondContact O-N 3.47Å
589E89.8Confident70.5Confident41 Ų4174.6 Ų74.619%0.19238%0.381CS..EExtended strand (participates in β ladder)trans-125.8126.9176-172.3176.7-163.600109.4I571 K572 M591 G608 I609I571-E589 WeakPolarHBondContact CA-O 3.41Å; K572-E589 HydrophobicContact CB-CB 4.4Å; K572-E589 PolarHBondContact N-O 3.26Å; K572-E589 PolarHBondContact O-N 2.84Å; E589-M591 HydrophobicContact CG-SD 4.22Å; E589-G608 VanDerWaalsContact OE1-CA 3.25Å; E589-G608 WeakPolarHBondContact OE1-CA 3.21Å; E589-G608 PolarHBondContact OE1-N 2.99Å; E589-I609 CarbonylContact C-O 3.58Å; E589-I609 WeakPolarHBondContact CA-O 3.41Å
590L86.6Confident68Low17 Ų1774 Ų749%0.08939%0.39CS..EExtended strand (participates in β ladder)trans-98.8115.8176.1179.969.4000109.6I566 E570 I571 G608 I609 V611 H646I566-L590 HydrophobicContact CD1-CD1 4.24Å; I566-L590 HydrophobicContact CG2-CD1 3.74Å; E570-L590 HydrophobicContact CB-CD1 4.42Å; E570-L590 CarbonylContact O-C 3.59Å; E570-L590 WeakPolarHBondContact O-CA 3.5Å; I571-L590 HydrophobicContact CG2-CD1 3.82Å; L590-G608 CarbonylContact O-C 3.58Å; L590-G608 WeakPolarHBondContact O-CA 3.15Å; L590-I609 HydrophobicContact CB-CB 4.43Å; L590-I609 PolarHBondContact N-O 3.18Å; L590-I609 PolarHBondContact O-N 3.09Å; L590-V611 HydrophobicContact CB-CG1 3.8Å; L590-V611 HydrophobicContact CB-CG2 4.09Å; L590-V611 HydrophobicContact CD2-CG1 4.42Å; L590-H646 HydrophobicContact CD2-CB 4.22Å
591M83.9Confident66Low66 Ų6680.1 Ų80.133%0.32542%0.417SS..  trans-82.2126-176.7-58.4-60.2-6800111.2E570 E589 N606E570-M591 PolarHBondContact O-N 3.47Å; E589-M591 HydrophobicContact CG-SD 4.22Å; M591-N606 HydrophobicContact CE-CB 4.14Å
592L66.6Low63.9Low69 Ų6985 Ų8536%0.36144%0.441SS..  trans-78.8133.5175.5-65.1174.8000110.8E594 I609 M869L592-E594 PolarHBondContact O-N 3.42Å; L592-I609 HydrophobicContact CD1-CD1 4.29Å; L592-I609 HydrophobicContact CD1-CG1 4.38Å; L592-I609 HydrophobicContact CD2-CD1 3.85Å; L592-I609 HydrophobicContact CG-CD1 4.27Å; L592-I609 HydrophobicContact CG-CG1 4.44Å; L592-M869 WeakPolarHBondContact CD2-O 3.49Å
593R56.3Low61.7Low166 Ų16693.2 Ų93.263%0.62648%0.478SS*.  trans-76.7113.4173.4-122.7172.7161.3-164.4-11.9109.2
594E45.7Very low59.3Low175 Ų17597.8 Ų97.882%0.81851%0.511SS*.  trans-73.9130.7162.7-72.7-171.4162.500109L592L592-E594 PolarHBondContact O-N 3.42Å
595A37.2Very low56.9Low61 Ų61105.7 Ų105.750%0.50454%0.544SS..  trans-74129.715900000106.5N597A595-N597 VanDerWaalsContact C-N 3.26Å; A595-N597 PolarHBondContact O-N 2.89Å
596D34.5Very low54.7Low166 Ų166110.6 Ų110.689%0.88857%0.57SS**  trans-59.879.4-174.3-146.15.2000111.1
597N33.3Very low53Low151 Ų151116.8 Ų116.881%0.80760%0.599SS**  trans-106.595.2170.2-78.40.4000107.1A595A595-N597 VanDerWaalsContact C-N 3.26Å; A595-N597 PolarHBondContact O-N 2.89Å
598G42.3Very low51.8Low62 Ų62117.3 Ų117.364%0.63960%0.604SS**  trans-54.5146.8171.700000111.8
599F31.4Very low51.4Low199 Ų199119 Ų11987%0.87361%0.613SS**  trans89.583.3175.8-60.3-83.4000117.3
600N32.8Very low51.3Low154 Ų154122 Ų12282%0.82462%0.623SS**  -178.3124.888.4-101.3-25.9000111.6N602N600-N602 PolarHBondContact O-N 2.9Å
601N39.5Very low51.5Low155 Ų155121.2 Ų121.283%0.82962%0.619SS**  trans-65.7116.4168.8-74.3-37000110
602N34.8Very low52Low144 Ų144118.8 Ų118.877%0.7761%0.608SS**SBendtrans-176.7110.8132.9-89.9-23.9000111.3N600N600-N602 PolarHBondContact O-N 2.9Å
603F37Very low53.2Low206 Ų206115.6 Ų115.690%0.90459%0.591SS**  trans45.975158.1-75.7-89.2000118.8
604S35.5Very low54.9Low108 Ų108108.7 Ų108.776%0.75557%0.565SS**  trans-133.5102.4139.561.40000108.9N606S604-N606 PolarHBondContact O-N 3Å
605K40.3Very low57Low192 Ų192100.9 Ų100.984%0.83553%0.529SS*.  trans-44.5134.1168.2-80.6175.8172.5177.30109.1K607K605-K607 PolarHBondContact O-N 2.73Å
606N45.5Very low59.4Low132 Ų13298.4 Ų98.471%0.70651%0.507SS*.  trans-34102.8164.4-71.80.8000109.8M591 S604M591-N606 HydrophobicContact CE-CB 4.14Å; S604-N606 PolarHBondContact O-N 3Å
607K56.6Low61.8Low185 Ų18593 Ų9380%0.80448%0.477SS*.  trans-99.297.4169.9-87.1-175.6173.2-176.70105.9K605K605-K607 PolarHBondContact O-N 2.73Å
608G67.3Low63.7Low14 Ų1492.4 Ų92.414%0.14447%0.469CS..PPolyproline II helixtrans-67162.516200000109.9E589 L590E589-G608 VanDerWaalsContact OE1-CA 3.25Å; E589-G608 WeakPolarHBondContact OE1-CA 3.21Å; E589-G608 PolarHBondContact OE1-N 2.99Å; L590-G608 CarbonylContact O-C 3.58Å; L590-G608 WeakPolarHBondContact O-CA 3.15Å
609I82.6Confident65Low35 Ų3593.6 Ų93.618%0.17947%0.467CS..EExtended strand (participates in β ladder)trans-84.5128.4176.8-59.4171.4000107.5E589 L590 L592 V611 M869E589-I609 CarbonylContact C-O 3.58Å; E589-I609 WeakPolarHBondContact CA-O 3.41Å; L590-I609 HydrophobicContact CB-CB 4.43Å; L590-I609 PolarHBondContact N-O 3.18Å; L590-I609 PolarHBondContact O-N 3.09Å; L592-I609 HydrophobicContact CD1-CD1 4.29Å; L592-I609 HydrophobicContact CD1-CG1 4.38Å; L592-I609 HydrophobicContact CD2-CD1 3.85Å; L592-I609 HydrophobicContact CG-CD1 4.27Å; L592-I609 HydrophobicContact CG-CG1 4.44Å; I609-V611 HydrophobicContact CG2-CG1 4.25Å; I609-V611 PolarHBondContact O-N 2.92Å; I609-M869 HydrophobicContact CD1-CE 4.05Å; I609-M869 HydrophobicContact CD1-SD 4Å
610R88.1Confident66.7Low106 Ų10686.4 Ų86.440%0.444%0.437SS..EExtended strand (participates in β ladder)trans-66.3128.4171.8-70.8176.671.7-163.84.7109Y661 E663R610-Y661 HydrophobicContact CB-CD1 4.27Å; R610-Y661 HydrophobicContact CB-CG 4.36Å; R610-Y661 PolarHBondContact NH2-OH 3.44Å; R610-Y661 VanDerWaalsContact NH2-OH 3.08Å; R610-Y661 WeakPolarHBondContact O-CB 3.41Å; R610-E663 IonicContact CZ-OE1 3.81Å; R610-E663 IonicContact CZ-OE2 2.78Å; R610-E663 IonicContact NH1-OE1 2.68Å; R610-E663 PolarHBondContact NH1-OE1 3.2Å; R610-E663 IonicContact NH1-OE2 3.34Å; R610-E663 PolarHBondContact NH1-OE2 3.34Å; R610-E663 IonicContact NH2-OE1 2.75Å; R610-E663 PolarHBondContact NH2-OE1 3.22Å; R610-E663 IonicContact NH2-OE2 2.68Å
611V91.2Very high68.2Low0 Ų083.1 Ų83.10%042%0.415CS..EExtended strand (participates in β ladder)trans-135.7160.9-175.8-68.60000110.3G588 L590 I609 L613 V658 E659G588-V611 PolarHBondContact N-O 3Å; G588-V611 WeakPolarHBondContact O-CG2 3.39Å; G588-V611 PolarHBondContact O-N 3.47Å; L590-V611 HydrophobicContact CB-CG1 3.8Å; L590-V611 HydrophobicContact CB-CG2 4.09Å; L590-V611 HydrophobicContact CD2-CG1 4.42Å; I609-V611 HydrophobicContact CG2-CG1 4.25Å; I609-V611 PolarHBondContact O-N 2.92Å; V611-L613 HydrophobicContact CG2-CD2 3.91Å; V611-V658 HydrophobicContact CB-CG1 3.71Å; V611-V658 HydrophobicContact CG1-CG1 3.87Å; V611-V658 HydrophobicContact CG2-CG1 3.8Å; V611-E659 CarbonylContact C-O 3.57Å; V611-E659 VanDerWaalsContact CA-O 3.26Å; V611-E659 WeakPolarHBondContact CA-O 3.45Å; V611-E659 VanDerWaalsContact CB-O 3.26Å; V611-E659 WeakPolarHBondContact CB-O 3.02Å
612V92.8Very high69.5Low15 Ų1581.9 Ų81.99%0.09141%0.408CS..EExtended strand (participates in β ladder)trans-99.8128.9168.2174.20000108.5L577 I585 Y586 K614 V658 E659 Y661L577-V612 HydrophobicContact CD1-CG2 4.26Å; I585-V612 HydrophobicContact CG2-CG1 3.35Å; Y586-V612 WeakPolarHBondContact O-CA 3.38Å; V612-K614 HydrophobicContact CG1-CG 4.23Å; V612-V658 WeakPolarHBondContact O-CA 3.45Å; V612-E659 HydrophobicContact CB-CB 4.27Å; V612-E659 PolarHBondContact N-O 2.85Å; V612-E659 PolarHBondContact O-N 3.18Å; V612-Y661 HydrophobicContact CG2-CD2 3.81Å; V612-Y661 HydrophobicContact CG2-CG 4.47Å
613L92.6Very high71.3Confident1 Ų175.4 Ų75.41%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-103.2108.5176.1-53.5-179.9000108.6I571 Q573 Y586 V611 I656 V658I571-L613 HydrophobicContact CG2-CD2 4.46Å; Q573-L613 HydrophobicContact CB-CD1 3.85Å; Q573-L613 HydrophobicContact CG-CD1 4.2Å; Y586-L613 PolarHBondContact N-O 3.29Å; Y586-L613 PolarHBondContact O-N 3.48Å; V611-L613 HydrophobicContact CG2-CD2 3.91Å; L613-I656 HydrophobicContact CB-CG2 3.94Å; L613-I656 HydrophobicContact CD2-CG2 4.11Å; L613-V658 HydrophobicContact CD2-CB 4.4Å; L613-V658 HydrophobicContact CD2-CG1 4.05Å; L613-V658 HydrophobicContact CD2-CG2 3.88Å
614K91.7Very high73.1Confident22 Ų2266.2 Ų66.210%0.09634%0.336CS..EExtended strand (participates in β ladder)trans-95.1107.4172.1-70.4-174.9178.4153.90109.1I585 V612 I656 M657 E659 S730 D731I585-K614 HydrophobicContact CG1-CG 4.18Å; I585-K614 HydrophobicContact CG2-CG 4.24Å; V612-K614 HydrophobicContact CG1-CG 4.23Å; K614-I656 WeakPolarHBondContact O-CA 3.3Å; K614-M657 HydrophobicContact CB-CB 4.33Å; K614-M657 PolarHBondContact N-O 3.38Å; K614-M657 PolarHBondContact O-N 3.28Å; K614-E659 WeakPolarHBondContact CD-OE1 3.37Å; K614-E659 WeakPolarHBondContact CE-OE2 3.46Å; K614-E659 IonicContact NZ-OE1 3.28Å; K614-E659 PolarHBondContact NZ-OE1 3.35Å; K614-E659 IonicContact NZ-OE2 3.21Å; K614-E659 PolarHBondContact NZ-OE2 3.05Å; K614-S730 PolarHBondContact NZ-OG 3.47Å; K614-D731 IonicContact NZ-OD2 3.28Å; K614-D731 PolarHBondContact NZ-OD2 3.5Å
615I90.9Very high74.9Confident10 Ų1066 Ų665%0.05133%0.326CS..EExtended strand (participates in β ladder)trans-99.3123-176.2-50.1-174.6000109T583 N584 Y586 E654 I656T583-I615 CarbonylContact C-O 3.51Å; T583-I615 VanDerWaalsContact CA-O 3.23Å; T583-I615 WeakPolarHBondContact CA-O 3.42Å; N584-I615 PolarHBondContact N-O 3Å; N584-I615 PolarHBondContact O-N 3.37Å; Y586-I615 HydrophobicContact CD2-CD1 3.67Å; Y586-I615 HydrophobicContact CD2-CG1 4.03Å; Y586-I615 HydrophobicContact CE2-CD1 3.81Å; Y586-I615 HydrophobicContact CE2-CG1 4.31Å; I615-E654 HydrophobicContact CG2-CB 4.02Å; I615-E654 HydrophobicContact CG2-CG 4.28Å; I615-I656 HydrophobicContact CD1-CD1 4.46Å; I615-I656 HydrophobicContact CG1-CD1 4.49Å; I615-I656 HydrophobicContact CG1-CG1 4.11Å; I615-I656 HydrophobicContact CG1-CG2 4.25Å; I615-I656 HydrophobicContact CG2-CG1 4.36Å
616L87.6Confident76.5Confident9 Ų957.7 Ų57.75%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-68.6132.9174.8-171.169.8000110.8T583 I623 A624 N655 I734T583-L616 HydrophobicContact CG2-CD1 4.14Å; L616-I623 HydrophobicContact CD1-CD1 4.28Å; L616-A624 HydrophobicContact CD2-CB 4.03Å; L616-N655 HydrophobicContact CB-CB 4.18Å; L616-N655 HydrophobicContact CD2-CB 4.49Å; L616-N655 PolarHBondContact N-O 3.27Å; L616-I734 HydrophobicContact CD1-CD1 3.99Å
617E83.8Confident77.9Confident53 Ų5352 Ų5225%0.24826%0.262CS..PPolyproline II helixtrans-64.2141.3179.3-74.2-178.4172.100112.7R582 N584 S619 H620R582-E617 PolarHBondContact O-N 3.41Å; N584-E617 WeakPolarHBondContact ND2-CG 3.45Å; N584-E617 PolarHBondContact ND2-OE1 3.21Å; E617-S619 PolarHBondContact O-N 3.21Å; E617-H620 PolarHBondContact O-N 3.5Å
618E73.9Confident79Confident138 Ų13845.3 Ų45.365%0.64523%0.232SC*.G310 helixtrans-64.4-27.9-172.3-154.6-178.117700113.5H620 K621E618-H620 PolarHBondContact O-N 2.65Å; E618-K621 HydrophobicContact CG-CD 4.33Å; E618-K621 VanDerWaalsContact CG-CE 3.47Å; E618-K621 VanDerWaalsContact CG-NZ 3.26Å; E618-K621 IonicContact OE1-NZ 3.43Å; E618-K621 PolarHBondContact OE1-NZ 2.72Å
619S68.9Low79.4Confident87 Ų8747.7 Ų47.761%0.60824%0.239SC*.G310 helixtrans-65.8-11.7175.849.90000114E617E617-S619 PolarHBondContact O-N 3.21Å
620H68.3Low79.2Confident49 Ų4946.4 Ų46.423%0.22723%0.233CC..G310 helixtrans-125.733.9-169.5-65.8-55000112.8E617 E618 D622 I623E617-H620 PolarHBondContact O-N 3.5Å; E618-H620 PolarHBondContact O-N 2.65Å; H620-D622 VanDerWaalsContact CA-OD1 3.31Å; H620-D622 WeakPolarHBondContact CA-OD1 3.45Å; H620-D622 PolarHBondContact O-N 3.33Å; H620-I623 HydrophobicContact CB-CD1 3.98Å; H620-I623 HydrophobicContact CB-CG1 3.85Å; H620-I623 WeakPolarHBondContact O-CG1 3.29Å; H620-I623 PolarHBondContact O-N 3.14Å
621K62.4Low78.7Confident85 Ų8541.4 Ų41.437%0.3721%0.214SC..G310 helixtrans-62.3-26.1177.4-77.8171.9172.9164.20113.6E618 I623 A624 S653E618-K621 HydrophobicContact CG-CD 4.33Å; E618-K621 VanDerWaalsContact CG-CE 3.47Å; E618-K621 VanDerWaalsContact CG-NZ 3.26Å; E618-K621 IonicContact OE1-NZ 3.43Å; E618-K621 PolarHBondContact OE1-NZ 2.72Å; K621-I623 PolarHBondContact O-N 2.86Å; K621-A624 VanDerWaalsContact O-CB 3.3Å; K621-A624 WeakPolarHBondContact O-CB 3.32Å; K621-A624 PolarHBondContact O-N 2.99Å; K621-S653 WeakPolarHBondContact CE-O 3.23Å; K621-S653 WeakPolarHBondContact CE-OG 3.45Å; K621-S653 VanDerWaalsContact NZ-CB 3.26Å; K621-S653 PolarHBondContact NZ-OG 2.87Å
622D67Low78Confident128 Ų12841.4 Ų41.468%0.68421%0.214SC*.G310 helixtrans-60.9-24.4176.260.8-43.4000113.3H620H620-D622 VanDerWaalsContact CA-OD1 3.31Å; H620-D622 WeakPolarHBondContact CA-OD1 3.45Å; H620-D622 PolarHBondContact O-N 3.33Å
623I73.4Confident77.2Confident8 Ų841.7 Ų41.74%0.04122%0.215CC..G310 helixtrans-103.810.8179.363.6157.3000113.6L616 H620 K621 L625 V626 S627 I734 V738L616-I623 HydrophobicContact CD1-CD1 4.28Å; H620-I623 HydrophobicContact CB-CD1 3.98Å; H620-I623 HydrophobicContact CB-CG1 3.85Å; H620-I623 WeakPolarHBondContact O-CG1 3.29Å; H620-I623 PolarHBondContact O-N 3.14Å; K621-I623 PolarHBondContact O-N 2.86Å; I623-L625 PolarHBondContact O-N 3.08Å; I623-V626 WeakPolarHBondContact O-CB 3.47Å; I623-V626 PolarHBondContact O-N 3.12Å; I623-S627 PolarHBondContact O-N 3.31Å; I623-I734 HydrophobicContact CD1-CD1 3.92Å; I623-I734 HydrophobicContact CD1-CG1 3.98Å; I623-I734 HydrophobicContact CD1-CG2 3.94Å; I623-V738 HydrophobicContact CB-CG1 4.05Å; I623-V738 HydrophobicContact CG2-CG1 3.36Å
624A73.6Confident76.6Confident14 Ų1442.1 Ų42.112%0.11622%0.217CC..Hα-helixtrans-56.2-34.7178.900000112.7L616 K621 V626 S627 Y628 N655L616-A624 HydrophobicContact CD2-CB 4.03Å; K621-A624 VanDerWaalsContact O-CB 3.3Å; K621-A624 WeakPolarHBondContact O-CB 3.32Å; K621-A624 PolarHBondContact O-N 2.99Å; A624-V626 VanDerWaalsContact C-N 3.3Å; A624-V626 PolarHBondContact O-N 3.38Å; A624-S627 PolarHBondContact O-N 3.47Å; A624-Y628 WeakPolarHBondContact O-CD2 3.24Å; A624-Y628 VanDerWaalsContact O-CG 3.31Å; A624-Y628 PolarHBondContact O-N 2.69Å; A624-N655 WeakPolarHBondContact CB-ND2 3.22Å
625L74.4Confident75.7Confident104 Ų10442.1 Ų42.155%0.54522%0.22SC..Hα-helixtrans-58.9-41.3175.5-170.973.1000112L561 I623 Y628 E629L561-L625 HydrophobicContact CD1-CD1 3.65Å; L561-L625 HydrophobicContact CG-CD1 4.49Å; I623-L625 PolarHBondContact O-N 3.08Å; L625-Y628 WeakPolarHBondContact O-CB 3.39Å; L625-Y628 PolarHBondContact O-N 2.91Å; L625-E629 WeakPolarHBondContact O-CG 3.35Å; L625-E629 PolarHBondContact O-N 3.46Å
626V72.9Confident74.8Confident17 Ų1742.4 Ų42.410%0.10322%0.221CC..Hα-helixtrans-70.3-38.8-179.5-176.50000110.7I623 A624 Y628 E629 T630 I734 A735 V738I623-V626 WeakPolarHBondContact O-CB 3.47Å; I623-V626 PolarHBondContact O-N 3.12Å; A624-V626 VanDerWaalsContact C-N 3.3Å; A624-V626 PolarHBondContact O-N 3.38Å; V626-Y628 VanDerWaalsContact C-N 3.27Å; V626-Y628 PolarHBondContact O-N 3.5Å; V626-E629 WeakPolarHBondContact O-CB 3.38Å; V626-E629 PolarHBondContact O-N 3.08Å; V626-E629 VanDerWaalsContact O-N 3.16Å; V626-T630 PolarHBondContact O-N 3.33Å; V626-T630 PolarHBondContact O-OG1 3.11Å; V626-I734 HydrophobicContact CG1-CG2 4.2Å; V626-A735 HydrophobicContact CG1-CB 3.54Å; V626-V738 HydrophobicContact CB-CG2 4.45Å; V626-V738 HydrophobicContact CG1-CG2 4.08Å; V626-V738 HydrophobicContact CG2-CB 4.46Å; V626-V738 HydrophobicContact CG2-CG1 4.32Å; V626-V738 HydrophobicContact CG2-CG2 3.62Å
627S76Confident74.1Confident13 Ų1342.8 Ų42.89%0.09122%0.223CC..Hα-helixtrans-61.2-39.2172.9178.20000111.6I623 A624 T630 A631I623-S627 PolarHBondContact O-N 3.31Å; A624-S627 PolarHBondContact O-N 3.47Å; S627-T630 PolarHBondContact O-N 3.23Å; S627-A631 PolarHBondContact O-N 3.35Å
628Y78.4Confident73.7Confident44 Ų4443.2 Ų43.217%0.17323%0.233CC..Hα-helixtrans-68.5-34.9173.3-67-26.8000113L561 F563 A624 L625 V626 T630 A631 S632 V648 V650 N655L561-Y628 HydrophobicContact CD1-CD2 3.88Å; L561-Y628 HydrophobicContact CD1-CG 4.15Å; L561-Y628 WeakPolarHBondContact CD2-O 3.41Å; F563-Y628 HydrophobicContact CE1-CD1 4.24Å; F563-Y628 HydrophobicContact CE1-CG 4.11Å; F563-Y628 AromaticContact CZ-CD1 3.83Å; F563-Y628 HydrophobicContact CZ-CD1 3.83Å; F563-Y628 HydrophobicContact CZ-CD2 4.47Å; F563-Y628 HydrophobicContact CZ-CE1 4.44Å; F563-Y628 AromaticContact CZ-CG 3.86Å; F563-Y628 HydrophobicContact CZ-CG 3.86Å; A624-Y628 WeakPolarHBondContact O-CD2 3.24Å; A624-Y628 VanDerWaalsContact O-CG 3.31Å; A624-Y628 PolarHBondContact O-N 2.69Å; L625-Y628 WeakPolarHBondContact O-CB 3.39Å; L625-Y628 PolarHBondContact O-N 2.91Å; V626-Y628 VanDerWaalsContact C-N 3.27Å; V626-Y628 PolarHBondContact O-N 3.5Å; Y628-T630 VanDerWaalsContact C-N 3.3Å; Y628-T630 PolarHBondContact O-N 2.62Å; Y628-A631 PolarHBondContact O-N 3.04Å; Y628-S632 WeakPolarHBondContact O-CB 3.45Å; Y628-S632 PolarHBondContact O-N 3.13Å; Y628-V648 HydrophobicContact CD1-CG1 3.95Å; Y628-V648 HydrophobicContact CE1-CG1 3.55Å; Y628-V650 WeakPolarHBondContact OH-CG2 3.42Å; Y628-N655 HydrophobicContact CE1-CB 4.22Å; Y628-N655 PolarHBondContact OH-OD1 3.49Å
629E76.5Confident73.9Confident64 Ų6438.1 Ų38.130%0.29921%0.208SC..Hα-helixtrans-60.1-42.8173.6-73.4172.5173.600110.4L561 L625 V626 S632 L633L561-E629 HydrophobicContact CD2-CB 4.2Å; L561-E629 HydrophobicContact CD2-CG 3.69Å; L561-E629 VanDerWaalsContact CD2-N 3.28Å; L625-E629 WeakPolarHBondContact O-CG 3.35Å; L625-E629 PolarHBondContact O-N 3.46Å; V626-E629 WeakPolarHBondContact O-CB 3.38Å; V626-E629 PolarHBondContact O-N 3.08Å; V626-E629 VanDerWaalsContact O-N 3.16Å; E629-S632 WeakPolarHBondContact O-CB 3.48Å; E629-S632 PolarHBondContact O-N 3.1Å; E629-L633 WeakPolarHBondContact O-CB 3.21Å; E629-L633 PolarHBondContact O-N 2.78Å
630T77.7Confident74.4Confident8 Ų835.9 Ų35.95%0.04919%0.193CC..Hα-helixtrans-64.4-47.3174.1-59.10000112.4V626 S627 Y628 S632 L633 M634 M657 D731 P732 G733V626-T630 PolarHBondContact O-N 3.33Å; V626-T630 PolarHBondContact O-OG1 3.11Å; S627-T630 PolarHBondContact O-N 3.23Å; Y628-T630 VanDerWaalsContact C-N 3.3Å; Y628-T630 PolarHBondContact O-N 2.62Å; T630-S632 PolarHBondContact O-N 3.45Å; T630-L633 WeakPolarHBondContact O-CB 3.43Å; T630-L633 PolarHBondContact O-N 2.9Å; T630-M634 WeakPolarHBondContact O-CG 3.43Å; T630-M634 PolarHBondContact O-N 3.02Å; T630-M657 HydrophobicContact CG2-CE 4.34Å; T630-D731 HydrophobicContact CG2-CB 4Å; T630-D731 VanDerWaalsContact CG2-OD1 3.29Å; T630-D731 WeakPolarHBondContact CG2-OD1 3.4Å; T630-P732 HydrophobicContact CG2-CG 3.7Å; T630-G733 WeakPolarHBondContact CB-O 3.37Å; T630-G733 WeakPolarHBondContact CG2-O 3.34Å; T630-G733 PolarHBondContact OG1-O 3.47Å
631A79.6Confident75.3Confident0 Ų033.6 Ų33.60%018%0.182CC..Hα-helixtrans-57.1-37174.300000111.3F563 S627 Y628 S635 V648 M657F563-A631 HydrophobicContact CD1-CB 3.93Å; F563-A631 HydrophobicContact CE1-CB 4.44Å; F563-A631 HydrophobicContact CG-CB 4.38Å; S627-A631 PolarHBondContact O-N 3.35Å; Y628-A631 PolarHBondContact O-N 3.04Å; A631-S635 VanDerWaalsContact O-CB 3.3Å; A631-S635 WeakPolarHBondContact O-CB 3.48Å; A631-S635 PolarHBondContact O-N 3.2Å; A631-S635 PolarHBondContact O-OG 2.87Å; A631-V648 HydrophobicContact CB-CG2 3.47Å; A631-V648 VanDerWaalsContact CB-CG2 3.47Å; A631-M657 HydrophobicContact CB-CE 3.7Å; A631-M657 HydrophobicContact CB-CG 4.24Å; A631-M657 HydrophobicContact CB-SD 4Å
632S75.5Confident76.5Confident1 Ų130 Ų301%0.00717%0.167CC..Hα-helixtrans-70.5-41.2179.7-175.40000112.9R562 Y628 E629 T630 Q636R562-S632 WeakPolarHBondContact CA-OG 3.46Å; R562-S632 PolarHBondContact N-OG 2.75Å; R562-S632 VanDerWaalsContact O-CA 3.23Å; R562-S632 WeakPolarHBondContact O-CA 3.28Å; R562-S632 PolarHBondContact O-OG 3.14Å; Y628-S632 WeakPolarHBondContact O-CB 3.45Å; Y628-S632 PolarHBondContact O-N 3.13Å; E629-S632 WeakPolarHBondContact O-CB 3.48Å; E629-S632 PolarHBondContact O-N 3.1Å; T630-S632 PolarHBondContact O-N 3.45Å; S632-Q636 WeakPolarHBondContact O-CG 3.22Å; S632-Q636 PolarHBondContact O-N 3.3Å; S632-Q636 PolarHBondContact O-NE2 3.02Å; S632-Q636 PolarHBondContact OG-NE2 3.02Å
633L76.3Confident77.6Confident21 Ų2124.1 Ų24.111%0.1114%0.136CC..Hα-helixtrans-57.5-54.1173.3175.567.5000110.1L558 E629 T630 S635 Q636 V637 L702L558-L633 HydrophobicContact CD2-CD1 4.44Å; E629-L633 WeakPolarHBondContact O-CB 3.21Å; E629-L633 PolarHBondContact O-N 2.78Å; T630-L633 WeakPolarHBondContact O-CB 3.43Å; T630-L633 PolarHBondContact O-N 2.9Å; L633-S635 VanDerWaalsContact C-N 3.3Å; L633-S635 PolarHBondContact O-N 3.25Å; L633-Q636 PolarHBondContact O-N 3.39Å; L633-V637 PolarHBondContact O-N 3.29Å; L633-L702 HydrophobicContact CD1-CB 4.37Å; L633-L702 HydrophobicContact CD1-CD1 3.44Å; L633-L702 VanDerWaalsContact CD1-CD1 3.44Å; L633-L702 HydrophobicContact CD1-CD2 3.28Å; L633-L702 HydrophobicContact CD1-CG 3.83Å
634M79.6Confident78.1Confident9 Ų925.2 Ų25.24%0.04414%0.141CC..Hα-helixtrans-66.3-30.4-176.9-65.2-57.8-70.900113.1T630 Q636 V637 V645 D731T630-M634 WeakPolarHBondContact O-CG 3.43Å; T630-M634 PolarHBondContact O-N 3.02Å; M634-Q636 VanDerWaalsContact C-N 3.27Å; M634-Q636 PolarHBondContact O-N 2.8Å; M634-V637 WeakPolarHBondContact O-CG2 3.45Å; M634-V637 HydrophobicContact SD-CG2 4.45Å; M634-V645 HydrophobicContact CB-CB 4.23Å; M634-V645 HydrophobicContact CB-CG2 3.41Å; M634-V645 VanDerWaalsContact CB-CG2 3.41Å; M634-V645 HydrophobicContact CG-CG2 4.22Å; M634-D731 HydrophobicContact CE-CB 4.41Å; M634-D731 HydrophobicContact CG-CB 3.81Å; M634-D731 HydrophobicContact SD-CB 4.39Å
635S73.9Confident78.7Confident22 Ų2225 Ų2515%0.15414%0.138CC..Hα-helixtrans-74.4-15.1174.7-60.90000113.8R562 F563 A631 L633R562-S635 WeakPolarHBondContact O-CB 3.4Å; F563-S635 WeakPolarHBondContact CB-OG 3.47Å; A631-S635 VanDerWaalsContact O-CB 3.3Å; A631-S635 WeakPolarHBondContact O-CB 3.48Å; A631-S635 PolarHBondContact O-N 3.2Å; A631-S635 PolarHBondContact O-OG 2.87Å; L633-S635 VanDerWaalsContact C-N 3.3Å; L633-S635 PolarHBondContact O-N 3.25Å
636Q70.8Confident79.2Confident16 Ų1620.9 Ų20.98%0.07512%0.115CC..THydrogen-bonded Turntrans-98.3-6.4-178.7-78.8173.490.800113.3L556 S632 L633 M634L556-Q636 HydrophobicContact CD1-CB 4.4Å; L556-Q636 HydrophobicContact CD2-CB 4.4Å; S632-Q636 WeakPolarHBondContact O-CG 3.22Å; S632-Q636 PolarHBondContact O-N 3.3Å; S632-Q636 PolarHBondContact O-NE2 3.02Å; S632-Q636 PolarHBondContact OG-NE2 3.02Å; L633-Q636 PolarHBondContact O-N 3.39Å; M634-Q636 VanDerWaalsContact C-N 3.27Å; M634-Q636 PolarHBondContact O-N 2.8Å
637V73.9Confident79.8Confident17 Ų1720 Ų2010%0.10311%0.111CC..  trans-110.8151179.3-67.60000111L633 M634 L642 Y696 L697 L702L633-V637 PolarHBondContact O-N 3.29Å; M634-V637 WeakPolarHBondContact O-CG2 3.45Å; M634-V637 HydrophobicContact SD-CG2 4.45Å; V637-L642 HydrophobicContact CB-CD1 4.08Å; V637-L642 HydrophobicContact CG2-CD1 3.85Å; V637-Y696 HydrophobicContact CB-CE1 3.93Å; V637-Y696 HydrophobicContact CG1-CE1 4.07Å; V637-L697 HydrophobicContact CG1-CD2 4.26Å; V637-L702 HydrophobicContact CG1-CD1 3.46Å; V637-L702 VanDerWaalsContact CG1-CD1 3.46Å
638S75Confident80.3Confident63 Ų6319.8 Ų19.844%0.44111%0.108SC..  trans-146.8114.4175-170.80000109.2Y696S638-Y696 PolarHBondContact N-OH 2.72Å; S638-Y696 VanDerWaalsContact N-OH 3.12Å; S638-Y696 PolarHBondContact O-OH 2.84Å
639H77.8Confident80.8Confident30 Ų3017.7 Ų17.714%0.13910%0.1CC..  trans-152.9145.9179.9-175.5-90.8000108.7H641 L642 Y696H639-H641 AromaticContact CE1-CD2 3.75Å; H639-H641 PolarHBondContact ND1-N 3.3Å; H639-H641 VanDerWaalsContact ND1-N 3.13Å; H639-H641 PolarHBondContact O-N 3.06Å; H639-L642 HydrophobicContact CB-CB 4.26Å; H639-L642 HydrophobicContact CB-CD1 3.8Å; H639-L642 HydrophobicContact CB-CG 3.89Å; H639-L642 PolarHBondContact O-N 3.49Å; H639-L642 VanDerWaalsContact O-N 3.11Å; H639-Y696 HydrophobicContact CB-CD1 4.02Å; H639-Y696 HydrophobicContact CB-CD2 4.44Å; H639-Y696 HydrophobicContact CB-CE1 4.18Å; H639-Y696 HydrophobicContact CB-CG 4.17Å; H639-Y696 AromaticContact CD2-CD2 3.8Å; H639-Y696 AromaticContact CD2-CG 3.66Å
640S78.4Confident81.2Confident41 Ų4117.7 Ų17.729%0.28710%0.104SC..THydrogen-bonded Turntrans-56-38.1-176.654.30000113F726 K728S640-F726 WeakPolarHBondContact O-CE1 3.39Å; S640-K728 WeakPolarHBondContact O-CE 3.48Å
641H87.6Confident81.3Confident0 Ų021 Ų210%012%0.118CC..THydrogen-bonded Turntrans-97.120.7-179.9-58.4-62.6000114.7D278 H639 Q689 A693 F726 I727 K728 L729D278-H641 IonicContact OD2-NE2 3.81Å; H639-H641 AromaticContact CE1-CD2 3.75Å; H639-H641 PolarHBondContact ND1-N 3.3Å; H639-H641 VanDerWaalsContact ND1-N 3.13Å; H639-H641 PolarHBondContact O-N 3.06Å; H641-Q689 VanDerWaalsContact CE1-CG 3.42Å; H641-Q689 WeakPolarHBondContact CE1-CG 3.31Å; H641-A693 HydrophobicContact CB-CB 3.98Å; H641-F726 AromaticContact CE1-CD2 3.87Å; H641-F726 AromaticContact CE1-CE1 3.94Å; H641-F726 AromaticContact CE1-CE2 3.46Å; H641-F726 VanDerWaalsContact CE1-CE2 3.46Å; H641-F726 WeakPolarHBondContact CE1-CE2 3.43Å; H641-F726 AromaticContact CE1-CZ 3.51Å; H641-F726 AromaticContact ND1-CE1 3.66Å; H641-F726 AromaticContact ND1-CZ 3.63Å; H641-I727 PolarHBondContact ND1-O 2.64Å; H641-K728 CarbonylContact O-C 3.59Å; H641-K728 WeakPolarHBondContact O-CA 3.34Å; H641-L729 PolarHBondContact O-N 3.16Å
642L88.4Confident81.3Confident10 Ų1024.7 Ų24.75%0.05216%0.157CC..BIsolated β-bridgetrans-113.3138.7169.4-69.4178.4000109.9V637 H639 F644 A693 Y696 L697 L729V637-L642 HydrophobicContact CB-CD1 4.08Å; V637-L642 HydrophobicContact CG2-CD1 3.85Å; H639-L642 HydrophobicContact CB-CB 4.26Å; H639-L642 HydrophobicContact CB-CD1 3.8Å; H639-L642 HydrophobicContact CB-CG 3.89Å; H639-L642 PolarHBondContact O-N 3.49Å; H639-L642 VanDerWaalsContact O-N 3.11Å; L642-F644 PolarHBondContact O-N 2.94Å; L642-A693 HydrophobicContact CD2-CB 4.23Å; L642-Y696 HydrophobicContact CD1-CD1 4.01Å; L642-Y696 HydrophobicContact CD1-CE1 4.03Å; L642-L697 HydrophobicContact CD1-CD2 4.05Å; L642-L697 HydrophobicContact CD2-CD1 4.43Å; L642-L729 HydrophobicContact CD2-CB 4.07Å; L642-L729 HydrophobicContact CD2-CD2 4.25Å; L642-L729 HydrophobicContact CD2-CG 4.46Å
643V88.9Confident81.1Confident4 Ų427.3 Ų27.32%0.02418%0.175CC..  trans-66.5130.6177.4172.30000110E659 E660 L662 L713 K728 L729V643-E659 HydrophobicContact CG1-CB 4.07Å; V643-E659 HydrophobicContact CG1-CG 4.47Å; V643-E660 VanDerWaalsContact CA-OE1 3.31Å; V643-E660 WeakPolarHBondContact CA-OE1 3.31Å; V643-E660 HydrophobicContact CG1-CG 3.71Å; V643-L662 HydrophobicContact CG2-CD1 4.22Å; V643-L713 HydrophobicContact CG2-CD1 3.94Å; V643-K728 HydrophobicContact CG2-CB 3.7Å; V643-L729 WeakPolarHBondContact CG2-O 3.45Å; V643-L729 PolarHBondContact N-O 3.15Å
644F84.9Confident81.3Confident32 Ų3230.1 Ų30.114%0.1419%0.187CC..  trans-75.2129.2177.8-174.7-102.3000112.1L642 H646 E659 E660 M869 L882 F895 Y948L642-F644 PolarHBondContact O-N 2.94Å; F644-H646 AromaticContact CD1-CD2 3.99Å; F644-E659 WeakPolarHBondContact O-CA 3.29Å; F644-E660 HydrophobicContact CB-CB 4.38Å; F644-E660 HydrophobicContact CB-CG 4.15Å; F644-E660 PolarHBondContact N-OE1 3.42Å; F644-E660 PolarHBondContact O-N 3.02Å; F644-M869 HydrophobicContact CE1-CE 4.39Å; F644-L882 HydrophobicContact CZ-CD2 4.18Å; F644-F895 HydrophobicContact CB-CD2 4.47Å; F644-F895 HydrophobicContact CB-CE2 3.47Å; F644-F895 VanDerWaalsContact CB-CE2 3.47Å; F644-F895 HydrophobicContact CB-CZ 3.67Å; F644-F895 HydrophobicContact CD1-CE1 4.11Å; F644-F895 HydrophobicContact CD1-CE2 4.15Å; F644-F895 AromaticContact CD1-CZ 3.64Å; F644-F895 HydrophobicContact CD1-CZ 3.64Å; F644-F895 AromaticContact CD2-CD2 3.77Å; F644-F895 HydrophobicContact CD2-CD2 3.77Å; F644-F895 HydrophobicContact CD2-CE1 4.37Å; F644-F895 AromaticContact CD2-CE2 3.51Å; F644-F895 HydrophobicContact CD2-CE2 3.51Å; F644-F895 HydrophobicContact CD2-CG 4.32Å; F644-F895 AromaticContact CD2-CZ 3.83Å; F644-F895 HydrophobicContact CD2-CZ 3.83Å; F644-F895 HydrophobicContact CE1-CE1 4.23Å; F644-F895 HydrophobicContact CE1-CZ 4.21Å; F644-F895 HydrophobicContact CE2-CD1 4.47Å; F644-F895 HydrophobicContact CE2-CD2 4.25Å; F644-F895 HydrophobicContact CE2-CE1 4.48Å; F644-F895 HydrophobicContact CE2-CE2 4.28Å; F644-F895 HydrophobicContact CE2-CG 4.36Å; F644-F895 HydrophobicContact CE2-CZ 4.38Å; F644-F895 HydrophobicContact CG-CD2 4.18Å; F644-F895 HydrophobicContact CG-CE1 4.18Å; F644-F895 AromaticContact CG-CE2 3.43Å; F644-F895 HydrophobicContact CG-CE2 3.43Å; F644-F895 VanDerWaalsContact CG-CE2 3.43Å; F644-F895 AromaticContact CG-CZ 3.42Å; F644-F895 HydrophobicContact CG-CZ 3.42Å; F644-F895 VanDerWaalsContact CG-CZ 3.42Å; F644-F895 HydrophobicContact CZ-CE1 4.42Å; F644-Y948 HydrophobicContact CE2-CE1 4.28Å
645V87Confident81.7Confident9 Ų930.5 Ų30.56%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-98.1114.6172.4177.70000109.2M634 G647 M657 E659M634-V645 HydrophobicContact CB-CB 4.23Å; M634-V645 HydrophobicContact CB-CG2 3.41Å; M634-V645 VanDerWaalsContact CB-CG2 3.41Å; M634-V645 HydrophobicContact CG-CG2 4.22Å; V645-G647 VanDerWaalsContact C-N 3.3Å; V645-M657 HydrophobicContact CG1-CG 4.09Å; V645-M657 HydrophobicContact CG1-SD 4.36Å; V645-M657 HydrophobicContact CG2-SD 4.29Å; V645-E659 HydrophobicContact CG2-CG 4.26Å
646H84.3Confident82.4Confident17 Ų1729.5 Ų29.58%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-68.1-33.8176.9-70.3-102.9000112H564 I566 L590 F644 V658 M869H564-H646 WeakPolarHBondContact CB-O 3.5Å; I566-H646 HydrophobicContact CD1-CB 4.03Å; L590-H646 HydrophobicContact CD2-CB 4.22Å; F644-H646 AromaticContact CD1-CD2 3.99Å; H646-V658 HydrophobicContact CB-CB 4.26Å; H646-V658 HydrophobicContact CB-CG1 4.05Å; H646-V658 WeakPolarHBondContact CB-O 3.43Å; H646-V658 PolarHBondContact N-O 3.3Å; H646-M869 WeakPolarHBondContact CE1-CE 3.49Å
647G84.4Confident83.3Confident0 Ų029.1 Ų29.10%018%0.181CC..EExtended strand (participates in β ladder)trans153.9-164.7-178.200000112.9H564 V645 V658H564-G647 CarbonylContact O-C 3.56Å; H564-G647 WeakPolarHBondContact O-CA 3.44Å; V645-G647 VanDerWaalsContact C-N 3.3Å; G647-V658 PolarHBondContact O-N 3.47Å
648V87.4Confident84.1Confident7 Ų728.3 Ų28.34%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-126136.8179.51790000109F563 H564 Q565 I566 Y628 A631 I656F563-V648 HydrophobicContact CB-CG2 4.15Å; F563-V648 HydrophobicContact CD1-CG2 4.07Å; F563-V648 HydrophobicContact CD2-CB 3.51Å; F563-V648 HydrophobicContact CD2-CG1 4.45Å; F563-V648 HydrophobicContact CD2-CG2 3.45Å; F563-V648 VanDerWaalsContact CD2-CG2 3.45Å; F563-V648 HydrophobicContact CE1-CG2 4.36Å; F563-V648 HydrophobicContact CE2-CB 3.62Å; F563-V648 HydrophobicContact CE2-CG1 4.09Å; F563-V648 HydrophobicContact CE2-CG2 3.77Å; F563-V648 HydrophobicContact CG-CB 4.2Å; F563-V648 HydrophobicContact CG-CG2 3.6Å; F563-V648 HydrophobicContact CZ-CB 4.4Å; F563-V648 HydrophobicContact CZ-CG2 4.22Å; H564-V648 PolarHBondContact O-N 3.15Å; Q565-V648 WeakPolarHBondContact CA-O 3.22Å; I566-V648 PolarHBondContact N-O 2.9Å; Y628-V648 HydrophobicContact CD1-CG1 3.95Å; Y628-V648 HydrophobicContact CE1-CG1 3.55Å; A631-V648 HydrophobicContact CB-CG2 3.47Å; A631-V648 VanDerWaalsContact CB-CG2 3.47Å; V648-I656 CarbonylContact C-O 3.49Å; V648-I656 WeakPolarHBondContact CA-O 3.35Å
649S88.6Confident84.9Confident0 Ų025.4 Ų25.40%016%0.156CC..EExtended strand (participates in β ladder)trans-116.6148.4172.6-175.20000110.1I566 I571 I656I566-S649 WeakPolarHBondContact O-CA 3.39Å; I566-S649 PolarHBondContact O-OG 3.34Å; I571-S649 WeakPolarHBondContact CD1-OG 3.44Å; S649-I656 PolarHBondContact N-O 3.26Å; S649-I656 PolarHBondContact O-N 3.48Å
650V84.3Confident85.3Confident64 Ų6424.5 Ų24.539%0.38815%0.151SC..EExtended strand (participates in β ladder)trans-119.7113.4173-178.10000107.8Y628 E654Y628-V650 WeakPolarHBondContact OH-CG2 3.42Å; V650-E654 WeakPolarHBondContact CA-O 3.44Å
651K80.8Confident85.8Confident77 Ų7725 Ų2534%0.33515%0.147SC..EExtended strand (participates in β ladder)trans-110.9100.1180-178.8176.1-162175.50109.6D568 S653 E654 I656D568-K651 WeakPolarHBondContact OD1-CB 3.42Å; D568-K651 WeakPolarHBondContact OD1-CD 3.39Å; D568-K651 VanDerWaalsContact OD1-CE 3.3Å; D568-K651 WeakPolarHBondContact OD1-CE 3.4Å; D568-K651 WeakPolarHBondContact OD1-CG 3.21Å; D568-K651 IonicContact OD1-NZ 2.59Å; K651-S653 PolarHBondContact O-N 3.35Å; K651-E654 PolarHBondContact N-O 2.91Å; K651-E654 WeakPolarHBondContact O-CB 3.5Å; K651-E654 PolarHBondContact O-N 2.87Å; K651-I656 HydrophobicContact CB-CD1 3.84Å; K651-I656 HydrophobicContact CD-CD1 4.47Å
652G79.2Confident85.7Confident79 Ų7925.5 Ų25.581%0.81415%0.15SC*.THydrogen-bonded Turntrans61.4-103.6-173.500000111
653S71.1Confident85.3Confident56 Ų5630.9 Ų30.939%0.39218%0.175SC..THydrogen-bonded Turntrans-111.83.3177.881.20000114.6K621 K651K621-S653 WeakPolarHBondContact CE-O 3.23Å; K621-S653 WeakPolarHBondContact CE-OG 3.45Å; K621-S653 VanDerWaalsContact NZ-CB 3.26Å; K621-S653 PolarHBondContact NZ-OG 2.87Å; K651-S653 PolarHBondContact O-N 3.35Å
654E81.9Confident85.2Confident79 Ų7932.2 Ų32.237%0.36918%0.184SC..EExtended strand (participates in β ladder)trans-90.3132.6178.9-62179.3151.300110.8I615 V650 K651 I656I615-E654 HydrophobicContact CG2-CB 4.02Å; I615-E654 HydrophobicContact CG2-CG 4.28Å; V650-E654 WeakPolarHBondContact CA-O 3.44Å; K651-E654 PolarHBondContact N-O 2.91Å; K651-E654 WeakPolarHBondContact O-CB 3.5Å; K651-E654 PolarHBondContact O-N 2.87Å; E654-I656 HydrophobicContact CB-CG1 4.33Å
655N86.2Confident85.4Confident17 Ų1731.5 Ų31.59%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-99.9118.6173.5-61.5-58.4000108.8L616 A624 Y628L616-N655 HydrophobicContact CB-CB 4.18Å; L616-N655 HydrophobicContact CD2-CB 4.49Å; L616-N655 PolarHBondContact N-O 3.27Å; A624-N655 WeakPolarHBondContact CB-ND2 3.22Å; Y628-N655 HydrophobicContact CE1-CB 4.22Å; Y628-N655 PolarHBondContact OH-OD1 3.49Å
656I89.3Confident85.6Confident2 Ų233.2 Ų33.21%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-120.3116.1-170.1-50.9178.1000109.2I571 L613 K614 I615 V648 S649 K651 E654 V658I571-I656 HydrophobicContact CD1-CD1 3.79Å; I571-I656 HydrophobicContact CD1-CG2 4.41Å; L613-I656 HydrophobicContact CB-CG2 3.94Å; L613-I656 HydrophobicContact CD2-CG2 4.11Å; K614-I656 WeakPolarHBondContact O-CA 3.3Å; I615-I656 HydrophobicContact CD1-CD1 4.46Å; I615-I656 HydrophobicContact CG1-CD1 4.49Å; I615-I656 HydrophobicContact CG1-CG1 4.11Å; I615-I656 HydrophobicContact CG1-CG2 4.25Å; I615-I656 HydrophobicContact CG2-CG1 4.36Å; V648-I656 CarbonylContact C-O 3.49Å; V648-I656 WeakPolarHBondContact CA-O 3.35Å; S649-I656 PolarHBondContact N-O 3.26Å; S649-I656 PolarHBondContact O-N 3.48Å; K651-I656 HydrophobicContact CB-CD1 3.84Å; K651-I656 HydrophobicContact CD-CD1 4.47Å; E654-I656 HydrophobicContact CB-CG1 4.33Å; I656-V658 HydrophobicContact CG2-CG2 4.36Å
657M89.8Confident86.1Confident8 Ų832.4 Ų32.44%0.03919%0.193CC..EExtended strand (participates in β ladder)trans-87.1133.1166.8-164-179.6-44.800109.3K614 T630 A631 V645 E659K614-M657 HydrophobicContact CB-CB 4.33Å; K614-M657 PolarHBondContact N-O 3.38Å; K614-M657 PolarHBondContact O-N 3.28Å; T630-M657 HydrophobicContact CG2-CE 4.34Å; A631-M657 HydrophobicContact CB-CE 3.7Å; A631-M657 HydrophobicContact CB-CG 4.24Å; A631-M657 HydrophobicContact CB-SD 4Å; V645-M657 HydrophobicContact CG1-CG 4.09Å; V645-M657 HydrophobicContact CG1-SD 4.36Å; V645-M657 HydrophobicContact CG2-SD 4.29Å; M657-E659 HydrophobicContact CG-CG 4.49Å
658V90.6Very high86.5Confident0 Ų033.3 Ų33.30%020%0.198CC..EExtended strand (participates in β ladder)trans-110.7110.6-177.5-172.40000109.2I566 I571 V611 V612 L613 H646 G647 I656I566-V658 HydrophobicContact CD1-CB 3.69Å; I566-V658 HydrophobicContact CD1-CG1 4.1Å; I566-V658 HydrophobicContact CD1-CG2 3.68Å; I571-V658 HydrophobicContact CG2-CG2 4.24Å; V611-V658 HydrophobicContact CB-CG1 3.71Å; V611-V658 HydrophobicContact CG1-CG1 3.87Å; V611-V658 HydrophobicContact CG2-CG1 3.8Å; V612-V658 WeakPolarHBondContact O-CA 3.45Å; L613-V658 HydrophobicContact CD2-CB 4.4Å; L613-V658 HydrophobicContact CD2-CG1 4.05Å; L613-V658 HydrophobicContact CD2-CG2 3.88Å; H646-V658 HydrophobicContact CB-CB 4.26Å; H646-V658 HydrophobicContact CB-CG1 4.05Å; H646-V658 WeakPolarHBondContact CB-O 3.43Å; H646-V658 PolarHBondContact N-O 3.3Å; G647-V658 PolarHBondContact O-N 3.47Å; I656-V658 HydrophobicContact CG2-CG2 4.36Å
659E90.9Very high86.7Confident2 Ų236.2 Ų36.21%0.00922%0.216CC..EExtended strand (participates in β ladder)trans-110.4160.6-177.9-62.6-177.1-175.500111.6V611 V612 K614 V643 F644 V645 M657 S730 D731V611-E659 CarbonylContact C-O 3.57Å; V611-E659 VanDerWaalsContact CA-O 3.26Å; V611-E659 WeakPolarHBondContact CA-O 3.45Å; V611-E659 VanDerWaalsContact CB-O 3.26Å; V611-E659 WeakPolarHBondContact CB-O 3.02Å; V612-E659 HydrophobicContact CB-CB 4.27Å; V612-E659 PolarHBondContact N-O 2.85Å; V612-E659 PolarHBondContact O-N 3.18Å; K614-E659 WeakPolarHBondContact CD-OE1 3.37Å; K614-E659 WeakPolarHBondContact CE-OE2 3.46Å; K614-E659 IonicContact NZ-OE1 3.28Å; K614-E659 PolarHBondContact NZ-OE1 3.35Å; K614-E659 IonicContact NZ-OE2 3.21Å; K614-E659 PolarHBondContact NZ-OE2 3.05Å; V643-E659 HydrophobicContact CG1-CB 4.07Å; V643-E659 HydrophobicContact CG1-CG 4.47Å; F644-E659 WeakPolarHBondContact O-CA 3.29Å; V645-E659 HydrophobicContact CG2-CG 4.26Å; M657-E659 HydrophobicContact CG-CG 4.49Å; E659-S730 PolarHBondContact OE2-OG 3.18Å; E659-D731 VanDerWaalsContact OE1-CG 3.28Å
660E87.9Confident86.9Confident10 Ų1036.5 Ų36.55%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-62.2144.5169.465.5176.2147.200111.3V643 F644 K728V643-E660 VanDerWaalsContact CA-OE1 3.31Å; V643-E660 WeakPolarHBondContact CA-OE1 3.31Å; V643-E660 HydrophobicContact CG1-CG 3.71Å; F644-E660 HydrophobicContact CB-CB 4.38Å; F644-E660 HydrophobicContact CB-CG 4.15Å; F644-E660 PolarHBondContact N-OE1 3.42Å; F644-E660 PolarHBondContact O-N 3.02Å; E660-K728 WeakPolarHBondContact OE1-CD 3.46Å; E660-K728 IonicContact OE1-NZ 3.65Å; E660-K728 PolarHBondContact OE1-NZ 3.44Å; E660-K728 IonicContact OE2-NZ 3.62Å; E660-K728 PolarHBondContact OE2-NZ 2.8Å
661Y88Confident87.3Confident53 Ų5333.4 Ų33.421%0.20820%0.198CC..  trans-92.7132174.6174.5-91.6000111L577 L587 R610 V612 E663L577-Y661 HydrophobicContact CD1-CE2 4.4Å; L587-Y661 HydrophobicContact CD1-CD2 3.34Å; L587-Y661 HydrophobicContact CD1-CE2 3.56Å; L587-Y661 HydrophobicContact CD1-CG 3.9Å; R610-Y661 HydrophobicContact CB-CD1 4.27Å; R610-Y661 HydrophobicContact CB-CG 4.36Å; R610-Y661 PolarHBondContact NH2-OH 3.44Å; R610-Y661 VanDerWaalsContact NH2-OH 3.08Å; R610-Y661 WeakPolarHBondContact O-CB 3.41Å; V612-Y661 HydrophobicContact CG2-CD2 3.81Å; V612-Y661 HydrophobicContact CG2-CG 4.47Å; Y661-E663 HydrophobicContact CE1-CB 4.43Å; Y661-E663 PolarHBondContact OH-OE1 3.01Å
662L85.6Confident87.7Confident9 Ų934.8 Ų34.85%0.04720%0.201CC..  trans-116.7126.3177.9-61.5175000110.3V643 C664 G665 L713 A715 K728V643-L662 HydrophobicContact CG2-CD1 4.22Å; L662-C664 PolarHBondContact O-N 3.04Å; L662-G665 PolarHBondContact O-N 2.83Å; L662-L713 HydrophobicContact CB-CB 4.48Å; L662-L713 HydrophobicContact CD1-CB 3.45Å; L662-L713 VanDerWaalsContact CD1-CB 3.45Å; L662-L713 HydrophobicContact CD1-CD1 3.91Å; L662-L713 HydrophobicContact CD1-CG 4.31Å; L662-A715 HydrophobicContact CD1-CB 4.5Å; L662-A715 HydrophobicContact CD2-CB 3.84Å; L662-K728 HydrophobicContact CD1-CB 3.97Å; L662-K728 HydrophobicContact CD1-CD 4.16Å; L662-K728 HydrophobicContact CD1-CG 4.31Å; L662-K728 HydrophobicContact CD2-CD 4.34Å
663E80.8Confident88.3Confident123 Ų12337.8 Ų37.858%0.57519%0.188SC*.THydrogen-bonded Turntrans-65.5-37.9-166-16170.7-12000113.7R610 Y661 G665R610-E663 IonicContact CZ-OE1 3.81Å; R610-E663 IonicContact CZ-OE2 2.78Å; R610-E663 IonicContact NH1-OE1 2.68Å; R610-E663 PolarHBondContact NH1-OE1 3.2Å; R610-E663 IonicContact NH1-OE2 3.34Å; R610-E663 PolarHBondContact NH1-OE2 3.34Å; R610-E663 IonicContact NH2-OE1 2.75Å; R610-E663 PolarHBondContact NH2-OE1 3.22Å; R610-E663 IonicContact NH2-OE2 2.68Å; Y661-E663 HydrophobicContact CE1-CB 4.43Å; Y661-E663 PolarHBondContact OH-OE1 3.01Å; E663-G665 VanDerWaalsContact C-N 3.34Å
664C85.4Confident89.3Confident33 Ų3337.6 Ų37.622%0.22318%0.181CC..THydrogen-bonded Turntrans-80.9-15.5-177.4-58.30000113.4L662 F670 V714L662-C664 PolarHBondContact O-N 3.04Å; C664-F670 HydrophobicContact CB-CD2 3.92Å; C664-F670 HydrophobicContact CB-CE2 4.07Å; C664-V714 HydrophobicContact CB-CB 3.69Å; C664-V714 HydrophobicContact CB-CG1 3.71Å; C664-V714 VanDerWaalsContact CB-O 3.28Å; C664-V714 WeakPolarHBondContact CB-O 3.48Å; C664-V714 PolarHBondContact N-O 3.3Å
665G89.3Confident89.5Confident17 Ų1738.1 Ų38.118%0.17518%0.183CC..EExtended strand (participates in β ladder)trans71.4-157.3175.300000114.6L662 E663 L713 V714L662-G665 PolarHBondContact O-N 2.83Å; E663-G665 VanDerWaalsContact C-N 3.34Å; G665-L713 CarbonylContact O-C 3.47Å; G665-L713 WeakPolarHBondContact O-CA 3.41Å; G665-V714 PolarHBondContact O-N 3.18Å
666P92.9Very high89.4Confident45 Ų4544.6 Ų44.629%0.29222%0.218SC..EExtended strand (participates in β ladder)trans-60.8139.5-177.2-26.236.4000114.6D668 V669 F670 L713P666-D668 WeakPolarHBondContact CB-OD1 3.34Å; P666-D668 PolarHBondContact O-N 3.16Å; P666-V669 HydrophobicContact CB-CG2 4.27Å; P666-V669 PolarHBondContact O-N 3.41Å; P666-F670 PolarHBondContact O-N 3.07Å; P666-L713 HydrophobicContact CB-CD2 4.34Å; P666-L713 HydrophobicContact CG-CD2 4.07Å
667L94.4Very high89.2Confident0 Ų047.8 Ų47.80%024%0.24CC..Hα-helixtrans-64.1-38.3-176.9174.764.1000111.9V669 F670 L671 W682 V686 A709 V712 V714 I778L667-V669 VanDerWaalsContact C-N 3.33Å; L667-V669 PolarHBondContact O-N 3.42Å; L667-F670 PolarHBondContact O-N 3.49Å; L667-L671 HydrophobicContact CD1-CD1 4.17Å; L667-L671 HydrophobicContact CD1-CD2 4.27Å; L667-L671 HydrophobicContact CD1-CG 3.89Å; L667-L671 HydrophobicContact CG-CD1 3.92Å; L667-L671 HydrophobicContact CG-CG 4.14Å; L667-L671 WeakPolarHBondContact O-CB 3.23Å; L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.89Å; L667-W682 HydrophobicContact CD1-CH2 3.5Å; L667-W682 HydrophobicContact CD1-CZ3 3.93Å; L667-V686 HydrophobicContact CD1-CG1 4.43Å; L667-V686 HydrophobicContact CD2-CG1 3.76Å; L667-A709 HydrophobicContact CB-CB 4.18Å; L667-A709 WeakPolarHBondContact CB-O 3.41Å; L667-A709 HydrophobicContact CD2-CB 4.12Å; L667-A709 HydrophobicContact CG-CB 4.14Å; L667-A709 PolarHBondContact N-O 3.28Å; L667-V712 HydrophobicContact CB-CB 4.02Å; L667-V712 HydrophobicContact CB-CG1 4.12Å; L667-V712 WeakPolarHBondContact CB-O 3.25Å; L667-V712 HydrophobicContact CD2-CB 3.97Å; L667-V712 HydrophobicContact CD2-CG1 3.72Å; L667-V712 PolarHBondContact N-O 3.19Å; L667-V714 HydrophobicContact CB-CG2 4.1Å; L667-V714 HydrophobicContact CD1-CG2 3.7Å; L667-I778 HydrophobicContact CD2-CD1 4.05Å; L667-I778 HydrophobicContact CD2-CG1 3.9Å
668D91.9Very high89.1Confident19 Ų1948.2 Ų48.210%0.10224%0.243CC..Hα-helixtrans-61.7-41.1178.174.5-48.6000112.1P666 R672 A709 A782P666-D668 WeakPolarHBondContact CB-OD1 3.34Å; P666-D668 PolarHBondContact O-N 3.16Å; D668-R672 WeakPolarHBondContact O-CG 3.46Å; D668-R672 VanDerWaalsContact O-CZ 3.28Å; D668-R672 PolarHBondContact O-N 3.15Å; D668-R672 PolarHBondContact O-NH1 3.14Å; D668-R672 IonicContact OD2-CZ 3.48Å; D668-R672 IonicContact OD2-NH1 2.96Å; D668-R672 PolarHBondContact OD2-NH1 2.68Å; D668-R672 VanDerWaalsContact OD2-NH1 3.16Å; D668-R672 IonicContact OD2-NH2 3.66Å; D668-R672 PolarHBondContact OD2-NH2 3.46Å; D668-A709 HydrophobicContact CB-CB 3.91Å; D668-A709 PolarHBondContact N-O 3.42Å; D668-A782 HydrophobicContact CB-CB 3.96Å; D668-A782 WeakPolarHBondContact O-CB 3.45Å
669V91.6Very high88.9Confident68 Ų6851.8 Ų51.841%0.41226%0.264SS..Hα-helixtrans-67.5-43.3174.5178.80000110.6P666 L667 R672 R673P666-V669 HydrophobicContact CB-CG2 4.27Å; P666-V669 PolarHBondContact O-N 3.41Å; L667-V669 VanDerWaalsContact C-N 3.33Å; L667-V669 PolarHBondContact O-N 3.42Å; V669-R672 PolarHBondContact O-N 2.5Å; V669-R673 WeakPolarHBondContact O-CB 3.5Å; V669-R673 PolarHBondContact O-N 3.24Å
670F92.8Very high88.6Confident5 Ų554.2 Ų54.22%0.02229%0.285CS..Hα-helixtrans-61.2-46.5178.1-171.4-87.9000111.9C664 P666 L667 R672 R673 E674 I678 W682 V714 L719C664-F670 HydrophobicContact CB-CD2 3.92Å; C664-F670 HydrophobicContact CB-CE2 4.07Å; P666-F670 PolarHBondContact O-N 3.07Å; L667-F670 PolarHBondContact O-N 3.49Å; F670-R672 VanDerWaalsContact C-N 3.34Å; F670-R672 PolarHBondContact O-N 3.22Å; F670-R673 PolarHBondContact O-N 3.03Å; F670-E674 HydrophobicContact CD1-CG 4.32Å; F670-E674 HydrophobicContact CD2-CG 4.4Å; F670-E674 HydrophobicContact CE1-CB 4.17Å; F670-E674 HydrophobicContact CE1-CG 3.97Å; F670-E674 HydrophobicContact CE2-CG 4.06Å; F670-E674 HydrophobicContact CZ-CB 4.46Å; F670-E674 HydrophobicContact CZ-CG 3.83Å; F670-E674 PolarHBondContact O-N 2.72Å; F670-I678 HydrophobicContact CD1-CD1 4.24Å; F670-I678 HydrophobicContact CE1-CD1 4.26Å; F670-I678 HydrophobicContact CE1-CG1 4.5Å; F670-W682 HydrophobicContact CD1-CH2 4.06Å; F670-W682 HydrophobicContact CD1-CZ2 4.06Å; F670-W682 HydrophobicContact CE1-CH2 4.11Å; F670-W682 AromaticContact CE1-CZ2 3.65Å; F670-W682 HydrophobicContact CE1-CZ2 3.65Å; F670-V714 HydrophobicContact CB-CG2 4.05Å; F670-V714 HydrophobicContact CD1-CG2 4.33Å; F670-V714 HydrophobicContact CD2-CB 4.45Å; F670-V714 HydrophobicContact CD2-CG1 4.31Å; F670-V714 HydrophobicContact CD2-CG2 4.47Å; F670-V714 HydrophobicContact CE2-CG1 4.3Å; F670-V714 HydrophobicContact CG-CG2 4.04Å; F670-L719 HydrophobicContact CE1-CD1 4.41Å; F670-L719 HydrophobicContact CZ-CD1 3.97Å; F670-L719 HydrophobicContact CZ-CG 4.4Å
671L92.3Very high88.3Confident0 Ų056.1 Ų56.10%029%0.294CS..Hα-helixtrans-59.2-42.2178-72.8170.5000112.1L667 Q675 I678 W682 I778 A782L667-L671 HydrophobicContact CD1-CD1 4.17Å; L667-L671 HydrophobicContact CD1-CD2 4.27Å; L667-L671 HydrophobicContact CD1-CG 3.89Å; L667-L671 HydrophobicContact CG-CD1 3.92Å; L667-L671 HydrophobicContact CG-CG 4.14Å; L667-L671 WeakPolarHBondContact O-CB 3.23Å; L667-L671 WeakPolarHBondContact O-CG 3.28Å; L667-L671 PolarHBondContact O-N 2.89Å; L671-Q675 WeakPolarHBondContact O-CA 3.46Å; L671-Q675 WeakPolarHBondContact O-CB 3.25Å; L671-Q675 PolarHBondContact O-N 3.47Å; L671-Q675 VanDerWaalsContact O-N 3.13Å; L671-I678 HydrophobicContact CD2-CD1 3.69Å; L671-I678 HydrophobicContact CD2-CG2 4.47Å; L671-W682 HydrophobicContact CD2-CH2 4.42Å; L671-W682 HydrophobicContact CD2-CZ3 3.84Å; L671-I778 HydrophobicContact CD1-CG1 4.34Å; L671-A782 HydrophobicContact CB-CB 4.21Å; L671-A782 HydrophobicContact CD1-CB 4.3Å
672R90.5Very high88.3Confident105 Ų10554 Ų5440%0.39629%0.286SS..Hα-helixtrans-68.2-36.9177.1-71-174.9-66.5-92.7-0.7112.4D668 V669 F670 A782D668-R672 WeakPolarHBondContact O-CG 3.46Å; D668-R672 VanDerWaalsContact O-CZ 3.28Å; D668-R672 PolarHBondContact O-N 3.15Å; D668-R672 PolarHBondContact O-NH1 3.14Å; D668-R672 IonicContact OD2-CZ 3.48Å; D668-R672 IonicContact OD2-NH1 2.96Å; D668-R672 PolarHBondContact OD2-NH1 2.68Å; D668-R672 VanDerWaalsContact OD2-NH1 3.16Å; D668-R672 IonicContact OD2-NH2 3.66Å; D668-R672 PolarHBondContact OD2-NH2 3.46Å; V669-R672 PolarHBondContact O-N 2.5Å; F670-R672 VanDerWaalsContact C-N 3.34Å; F670-R672 PolarHBondContact O-N 3.22Å; R672-A782 HydrophobicContact CG-CB 4.02Å
673R92.1Very high88.5Confident143 Ų14354.6 Ų54.654%0.5429%0.288SS..Hα-helixtrans-71.8-45.4-179.4-170.8177.369.7-147-4.7111.9V669 F670V669-R673 WeakPolarHBondContact O-CB 3.5Å; V669-R673 PolarHBondContact O-N 3.24Å; F670-R673 PolarHBondContact O-N 3.03Å
674E90.3Very high88.8Confident51 Ų5149.3 Ų49.324%0.23826%0.263CS..SBendtrans-103.518.5-171.5-54.1-56.9153.100113.5F670 N676 S677 I678 L719F670-E674 HydrophobicContact CD1-CG 4.32Å; F670-E674 HydrophobicContact CD2-CG 4.4Å; F670-E674 HydrophobicContact CE1-CB 4.17Å; F670-E674 HydrophobicContact CE1-CG 3.97Å; F670-E674 HydrophobicContact CE2-CG 4.06Å; F670-E674 HydrophobicContact CZ-CB 4.46Å; F670-E674 HydrophobicContact CZ-CG 3.83Å; F670-E674 PolarHBondContact O-N 2.72Å; E674-N676 PolarHBondContact O-N 3.06Å; E674-S677 PolarHBondContact O-N 3.36Å; E674-I678 HydrophobicContact CB-CD1 3.85Å; E674-I678 HydrophobicContact CB-CG1 4.14Å; E674-I678 WeakPolarHBondContact O-CG1 3.41Å; E674-I678 PolarHBondContact O-N 3.01Å; E674-L719 HydrophobicContact CB-CD1 4.07Å; E674-L719 HydrophobicContact CG-CD1 4.01Å
675Q86.1Confident88.7Confident91 Ų9149.4 Ų49.443%0.42526%0.262SS..THydrogen-bonded Turntrans-51.3-28-17162.5177.4-11.300115.4L671 N781L671-Q675 WeakPolarHBondContact O-CA 3.46Å; L671-Q675 WeakPolarHBondContact O-CB 3.25Å; L671-Q675 PolarHBondContact O-N 3.47Å; L671-Q675 VanDerWaalsContact O-N 3.13Å; Q675-N781 HydrophobicContact CB-CB 4.39Å
676N85.1Confident88.7Confident152 Ų15248.6 Ų48.681%0.81325%0.254SS*.THydrogen-bonded Turntrans-83.9-20-178.7-64-27.6000113.1E674E674-N676 PolarHBondContact O-N 3.06Å
677S85Confident88.7Confident69 Ų6946.4 Ų46.448%0.48324%0.24SC..THydrogen-bonded Turntrans-100.3-19.9-175.4-52.60000112.4E674 T679E674-S677 PolarHBondContact O-N 3.36Å; S677-T679 PolarHBondContact O-N 2.98Å
678I88.1Confident88.2Confident17 Ų1747 Ų479%0.08724%0.243CC..  trans-80117.4-176.1-67.3158.4000110.6F670 L671 E674 W682 K683 L719F670-I678 HydrophobicContact CD1-CD1 4.24Å; F670-I678 HydrophobicContact CE1-CD1 4.26Å; F670-I678 HydrophobicContact CE1-CG1 4.5Å; L671-I678 HydrophobicContact CD2-CD1 3.69Å; L671-I678 HydrophobicContact CD2-CG2 4.47Å; E674-I678 HydrophobicContact CB-CD1 3.85Å; E674-I678 HydrophobicContact CB-CG1 4.14Å; E674-I678 WeakPolarHBondContact O-CG1 3.41Å; E674-I678 PolarHBondContact O-N 3.01Å; I678-W682 HydrophobicContact CG1-CD2 4.46Å; I678-W682 HydrophobicContact CG2-CB 4.18Å; I678-W682 HydrophobicContact CG2-CD2 3.89Å; I678-W682 HydrophobicContact CG2-CE3 3.53Å; I678-W682 HydrophobicContact CG2-CG 4.18Å; I678-W682 HydrophobicContact CG2-CZ3 4.24Å; I678-K683 HydrophobicContact CG2-CD 4.34Å; I678-K683 HydrophobicContact CG2-CG 3.78Å; I678-L719 HydrophobicContact CG1-CD2 4.17Å
679T86.9Confident88Confident75 Ų7546.1 Ų46.146%0.4624%0.239SC..  trans-82.7166.4176.465.30000112.1S677 Q681 W682 K683S677-T679 PolarHBondContact O-N 2.98Å; T679-Q681 VanDerWaalsContact C-N 3.27Å; T679-Q681 PolarHBondContact O-N 3.2Å; T679-W682 WeakPolarHBondContact O-CB 3.45Å; T679-W682 PolarHBondContact O-N 2.96Å; T679-W682 PolarHBondContact OG1-N 3.4Å; T679-K683 PolarHBondContact O-N 2.76Å
680A84Confident88.1Confident54 Ų5442.9 Ų42.945%0.44622%0.219SC..Hα-helixtrans-60-40.2170.500000111.4W682 K683 F684 I847A680-W682 PolarHBondContact O-N 2.87Å; A680-K683 WeakPolarHBondContact O-CB 3.4Å; A680-K683 PolarHBondContact O-N 3.31Å; A680-K683 VanDerWaalsContact O-N 3.15Å; A680-F684 WeakPolarHBondContact O-CD2 3.36Å; A680-F684 PolarHBondContact O-N 3.18Å; A680-F684 VanDerWaalsContact O-N 3.1Å; A680-I847 HydrophobicContact CB-CD1 4.48Å
681Q81.7Confident88Confident50 Ų5042.7 Ų42.723%0.23422%0.218CC..Hα-helixtrans-57.5-46.8177.3176.4178.929.700112.6T679 K683 F684 V685 I847 S848 P849T679-Q681 VanDerWaalsContact C-N 3.27Å; T679-Q681 PolarHBondContact O-N 3.2Å; Q681-K683 VanDerWaalsContact C-N 3.26Å; Q681-K683 PolarHBondContact O-N 3.22Å; Q681-F684 PolarHBondContact O-N 3.01Å; Q681-F684 VanDerWaalsContact O-N 3.14Å; Q681-V685 WeakPolarHBondContact O-CG2 3.42Å; Q681-V685 PolarHBondContact O-N 3.19Å; Q681-I847 HydrophobicContact CB-CB 4.32Å; Q681-I847 HydrophobicContact CB-CG1 4.42Å; Q681-I847 HydrophobicContact CB-CG2 3.86Å; Q681-I847 HydrophobicContact CG-CG2 3.89Å; Q681-I847 WeakPolarHBondContact CG-O 3.47Å; Q681-I847 VanDerWaalsContact NE2-C 3.35Å; Q681-I847 PolarHBondContact NE2-O 2.89Å; Q681-S848 PolarHBondContact NE2-O 3.48Å; Q681-P849 VanDerWaalsContact NE2-CA 3.29Å; Q681-P849 VanDerWaalsContact NE2-N 3.2Å
682W88Confident87.6Confident9 Ų944.4 Ų44.43%0.03422%0.224CC..Hα-helixtrans-54.5-44.8176.3-172.3102.7000112L667 F670 L671 I678 T679 A680 F684 V685 V686 G717 P725L667-W682 HydrophobicContact CD1-CH2 3.5Å; L667-W682 HydrophobicContact CD1-CZ3 3.93Å; F670-W682 HydrophobicContact CD1-CH2 4.06Å; F670-W682 HydrophobicContact CD1-CZ2 4.06Å; F670-W682 HydrophobicContact CE1-CH2 4.11Å; F670-W682 AromaticContact CE1-CZ2 3.65Å; F670-W682 HydrophobicContact CE1-CZ2 3.65Å; L671-W682 HydrophobicContact CD2-CH2 4.42Å; L671-W682 HydrophobicContact CD2-CZ3 3.84Å; I678-W682 HydrophobicContact CG1-CD2 4.46Å; I678-W682 HydrophobicContact CG2-CB 4.18Å; I678-W682 HydrophobicContact CG2-CD2 3.89Å; I678-W682 HydrophobicContact CG2-CE3 3.53Å; I678-W682 HydrophobicContact CG2-CG 4.18Å; I678-W682 HydrophobicContact CG2-CZ3 4.24Å; T679-W682 WeakPolarHBondContact O-CB 3.45Å; T679-W682 PolarHBondContact O-N 2.96Å; T679-W682 PolarHBondContact OG1-N 3.4Å; A680-W682 PolarHBondContact O-N 2.87Å; W682-F684 PolarHBondContact O-N 3.03Å; W682-V685 PolarHBondContact O-N 3.29Å; W682-V686 HydrophobicContact CD2-CG2 4.18Å; W682-V686 HydrophobicContact CE3-CG2 3.84Å; W682-V686 HydrophobicContact CH2-CG2 3.62Å; W682-V686 HydrophobicContact CZ2-CG2 3.98Å; W682-V686 HydrophobicContact CZ3-CB 4.21Å; W682-V686 HydrophobicContact CZ3-CG2 3.55Å; W682-V686 PolarHBondContact O-N 3.02Å; W682-V686 VanDerWaalsContact O-N 3.09Å; W682-G717 PolarHBondContact NE1-O 3.31Å; W682-P725 HydrophobicContact CD2-CB 4.23Å; W682-P725 HydrophobicContact CD2-CG 4.09Å; W682-P725 HydrophobicContact CG-CB 4.45Å; W682-P725 HydrophobicContact CG-CG 3.94Å; W682-P725 HydrophobicContact CZ2-CB 3.84Å
683K90Very high87.4Confident20 Ų2039.4 Ų39.49%0.08721%0.205CC..Hα-helixtrans-63.9-39.1179.3-67.4175172.8-1790112.3I678 T679 A680 Q681 S687 I778 F779 N781I678-K683 HydrophobicContact CG2-CD 4.34Å; I678-K683 HydrophobicContact CG2-CG 3.78Å; T679-K683 PolarHBondContact O-N 2.76Å; A680-K683 WeakPolarHBondContact O-CB 3.4Å; A680-K683 PolarHBondContact O-N 3.31Å; A680-K683 VanDerWaalsContact O-N 3.15Å; Q681-K683 VanDerWaalsContact C-N 3.26Å; Q681-K683 PolarHBondContact O-N 3.22Å; K683-S687 WeakPolarHBondContact O-CB 3.4Å; K683-S687 PolarHBondContact O-N 2.84Å; K683-S687 PolarHBondContact O-OG 2.77Å; K683-I778 HydrophobicContact CB-CG2 3.71Å; K683-I778 HydrophobicContact CD-CG2 4.32Å; K683-I778 WeakPolarHBondContact CE-O 3.48Å; K683-I778 HydrophobicContact CG-CG2 3.78Å; K683-F779 HydrophobicContact CB-CD1 4.4Å; K683-F779 HydrophobicContact CB-CE1 3.97Å; K683-F779 HydrophobicContact CB-CE2 4.44Å; K683-F779 HydrophobicContact CB-CZ 4Å; K683-F779 HydrophobicContact CD-CD1 3.99Å; K683-F779 HydrophobicContact CD-CE1 4.31Å; K683-F779 HydrophobicContact CD-CG 4.44Å; K683-F779 PolarHBondContact NZ-O 2.88Å; K683-N781 VanDerWaalsContact CE-OD1 3.24Å; K683-N781 WeakPolarHBondContact CE-OD1 3.4Å; K683-N781 PolarHBondContact NZ-OD1 3.02Å
684F87.2Confident87.4Confident12 Ų1232.6 Ų32.65%0.05318%0.18CC..Hα-helixtrans-66.7-41.3176-81.9-71.7000112.6A680 Q681 W682 S687 L688 F779 L812 L837 L840 I841 I847A680-F684 WeakPolarHBondContact O-CD2 3.36Å; A680-F684 PolarHBondContact O-N 3.18Å; A680-F684 VanDerWaalsContact O-N 3.1Å; Q681-F684 PolarHBondContact O-N 3.01Å; Q681-F684 VanDerWaalsContact O-N 3.14Å; W682-F684 PolarHBondContact O-N 3.03Å; F684-S687 WeakPolarHBondContact O-CB 3.46Å; F684-S687 PolarHBondContact O-N 3.48Å; F684-L688 WeakPolarHBondContact O-CB 3.28Å; F684-L688 PolarHBondContact O-N 3.25Å; F684-F779 AromaticContact CD1-CZ 3.98Å; F684-F779 HydrophobicContact CD1-CZ 3.98Å; F684-F779 HydrophobicContact CD2-CE1 4.24Å; F684-F779 HydrophobicContact CD2-CZ 4.08Å; F684-F779 HydrophobicContact CE1-CE1 4.48Å; F684-F779 AromaticContact CE1-CZ 3.82Å; F684-F779 HydrophobicContact CE1-CZ 3.82Å; F684-F779 AromaticContact CE2-CE1 3.85Å; F684-F779 HydrophobicContact CE2-CE1 3.85Å; F684-F779 AromaticContact CE2-CZ 3.92Å; F684-F779 HydrophobicContact CE2-CZ 3.92Å; F684-F779 HydrophobicContact CG-CZ 4.1Å; F684-F779 AromaticContact CZ-CE1 3.98Å; F684-F779 HydrophobicContact CZ-CE1 3.98Å; F684-F779 AromaticContact CZ-CZ 3.78Å; F684-F779 HydrophobicContact CZ-CZ 3.78Å; F684-L812 HydrophobicContact CE1-CD1 4.37Å; F684-L837 HydrophobicContact CD1-CD1 3.78Å; F684-L837 HydrophobicContact CE1-CD1 4.05Å; F684-L840 HydrophobicContact CE1-CB 4.24Å; F684-I841 HydrophobicContact CB-CD1 3.99Å; F684-I841 HydrophobicContact CB-CG1 3.79Å; F684-I841 HydrophobicContact CD1-CD1 4.39Å; F684-I841 HydrophobicContact CD1-CG1 3.77Å; F684-I841 HydrophobicContact CG-CG1 3.9Å; F684-I847 HydrophobicContact CD2-CD1 3.74Å; F684-I847 HydrophobicContact CD2-CG2 4.36Å; F684-I847 HydrophobicContact CE2-CD1 3.71Å
685V82.4Confident87.2Confident35 Ų3530.5 Ų30.521%0.21217%0.17CC..Hα-helixtrans-60.7-48176176.20000110.6Q681 W682 S687 L688 Q689 P725Q681-V685 WeakPolarHBondContact O-CG2 3.42Å; Q681-V685 PolarHBondContact O-N 3.19Å; W682-V685 PolarHBondContact O-N 3.29Å; V685-S687 VanDerWaalsContact C-N 3.3Å; V685-S687 PolarHBondContact O-N 2.55Å; V685-L688 WeakPolarHBondContact O-CB 3.25Å; V685-L688 PolarHBondContact O-N 2.86Å; V685-L688 VanDerWaalsContact O-N 3.12Å; V685-Q689 WeakPolarHBondContact O-CG 3.4Å; V685-Q689 PolarHBondContact O-N 2.85Å; V685-P725 HydrophobicContact CB-CG 3.89Å; V685-P725 HydrophobicContact CG1-CG 3.75Å
686V90.2Very high87Confident0 Ų028.3 Ų28.30%016%0.158CC..Hα-helixtrans-60.1-40.7176168.90000112.1L667 W682 L688 Q689 L690 P725 I727 I778L667-V686 HydrophobicContact CD1-CG1 4.43Å; L667-V686 HydrophobicContact CD2-CG1 3.76Å; W682-V686 HydrophobicContact CD2-CG2 4.18Å; W682-V686 HydrophobicContact CE3-CG2 3.84Å; W682-V686 HydrophobicContact CH2-CG2 3.62Å; W682-V686 HydrophobicContact CZ2-CG2 3.98Å; W682-V686 HydrophobicContact CZ3-CB 4.21Å; W682-V686 HydrophobicContact CZ3-CG2 3.55Å; W682-V686 PolarHBondContact O-N 3.02Å; W682-V686 VanDerWaalsContact O-N 3.09Å; V686-L688 VanDerWaalsContact C-N 3.3Å; V686-L688 PolarHBondContact O-N 2.92Å; V686-Q689 PolarHBondContact O-N 2.84Å; V686-L690 WeakPolarHBondContact O-CB 3.32Å; V686-L690 PolarHBondContact O-N 3.2Å; V686-P725 HydrophobicContact CG2-CB 3.79Å; V686-P725 HydrophobicContact CG2-CG 3.9Å; V686-I727 HydrophobicContact CB-CG2 4.41Å; V686-I727 HydrophobicContact CG1-CG1 4.33Å; V686-I727 HydrophobicContact CG1-CG2 3.87Å; V686-I727 HydrophobicContact CG2-CG2 3.86Å; V686-I778 HydrophobicContact CG1-CD1 4.17Å
687S92Very high86.8Confident0 Ų021.4 Ų21.40%012%0.122CC..Hα-helixtrans-62-38.4176.5-59.20000112K683 F684 V685 A691 L775K683-S687 WeakPolarHBondContact O-CB 3.4Å; K683-S687 PolarHBondContact O-N 2.84Å; K683-S687 PolarHBondContact O-OG 2.77Å; F684-S687 WeakPolarHBondContact O-CB 3.46Å; F684-S687 PolarHBondContact O-N 3.48Å; V685-S687 VanDerWaalsContact C-N 3.3Å; V685-S687 PolarHBondContact O-N 2.55Å; S687-A691 WeakPolarHBondContact O-CB 3.33Å; S687-A691 PolarHBondContact O-N 3.21Å; S687-L775 WeakPolarHBondContact OG-CD2 3.48Å
688L85.1Confident86.8Confident13 Ų1319.1 Ų19.17%0.06810%0.103CC..Hα-helixtrans-69.4-46.4178.8-172.766.9000111.5F684 V685 V686 L690 A691 R692 L834 L837F684-L688 WeakPolarHBondContact O-CB 3.28Å; F684-L688 PolarHBondContact O-N 3.25Å; V685-L688 WeakPolarHBondContact O-CB 3.25Å; V685-L688 PolarHBondContact O-N 2.86Å; V685-L688 VanDerWaalsContact O-N 3.12Å; V686-L688 VanDerWaalsContact C-N 3.3Å; V686-L688 PolarHBondContact O-N 2.92Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 2.92Å; L688-A691 PolarHBondContact O-N 2.88Å; L688-R692 WeakPolarHBondContact O-CG 3.4Å; L688-R692 PolarHBondContact O-N 3.12Å; L688-L834 HydrophobicContact CD1-CD2 3.7Å; L688-L837 HydrophobicContact CB-CD2 4.15Å; L688-L837 HydrophobicContact CD1-CD2 4.19Å
689Q86.6Confident86Confident0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-59.5-42.2176.7-69.2178.7-4.300111.6E281 H641 V685 V686 R692 A693 P725 I727E281-Q689 PolarHBondContact OE2-NE2 2.91Å; H641-Q689 VanDerWaalsContact CE1-CG 3.42Å; H641-Q689 WeakPolarHBondContact CE1-CG 3.31Å; V685-Q689 WeakPolarHBondContact O-CG 3.4Å; V685-Q689 PolarHBondContact O-N 2.85Å; V686-Q689 PolarHBondContact O-N 2.84Å; Q689-R692 PolarHBondContact O-N 3.01Å; Q689-A693 PolarHBondContact O-N 2.92Å; Q689-A693 VanDerWaalsContact O-N 3.15Å; Q689-P725 PolarHBondContact NE2-O 3.39Å; Q689-P725 PolarHBondContact OE1-O 2.83Å; Q689-I727 HydrophobicContact CB-CD1 4.01Å; Q689-I727 HydrophobicContact CB-CG1 3.69Å
690L93.5Very high85.2Confident0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-64.6-45.9175.9-179.660000111.8V686 L688 R692 A693 L694 V707 V712 I727 L729 F771 T774V686-L690 WeakPolarHBondContact O-CB 3.32Å; V686-L690 PolarHBondContact O-N 3.2Å; L688-L690 VanDerWaalsContact C-N 3.31Å; L688-L690 PolarHBondContact O-N 2.92Å; L690-R692 VanDerWaalsContact C-N 3.28Å; L690-R692 PolarHBondContact O-N 2.78Å; L690-A693 PolarHBondContact O-N 2.81Å; L690-L694 HydrophobicContact CD1-CD1 4.11Å; L690-L694 HydrophobicContact CD1-CG 4.37Å; L690-L694 HydrophobicContact CG-CD1 4Å; L690-L694 WeakPolarHBondContact O-CG 3.32Å; L690-L694 PolarHBondContact O-N 3.27Å; L690-V707 HydrophobicContact CD1-CG1 4.28Å; L690-V707 HydrophobicContact CD2-CG1 4.25Å; L690-V712 HydrophobicContact CD1-CG2 3.93Å; L690-V712 HydrophobicContact CD2-CG2 4.19Å; L690-I727 HydrophobicContact CB-CD1 4.14Å; L690-L729 HydrophobicContact CD1-CB 4.41Å; L690-L729 HydrophobicContact CD1-CD1 4.24Å; L690-L729 HydrophobicContact CD1-CD2 4.31Å; L690-F771 HydrophobicContact CB-CE2 4.27Å; L690-F771 HydrophobicContact CD2-CD2 3.83Å; L690-F771 HydrophobicContact CD2-CE2 3.99Å; L690-F771 HydrophobicContact CG-CD2 3.98Å; L690-F771 HydrophobicContact CG-CE2 4.01Å; L690-T774 HydrophobicContact CD2-CG2 3.89Å
691A91.1Very high84.7Confident0 Ų022.7 Ų22.70%010%0.101CC..Hα-helixtrans-62-34.3178.100000112.4S687 L688 L694 N695 F771 I833 L834S687-A691 WeakPolarHBondContact O-CB 3.33Å; S687-A691 PolarHBondContact O-N 3.21Å; L688-A691 PolarHBondContact O-N 2.88Å; A691-L694 PolarHBondContact O-N 2.79Å; A691-N695 WeakPolarHBondContact O-CB 3.39Å; A691-N695 PolarHBondContact O-N 3.29Å; A691-F771 HydrophobicContact CB-CE2 3.91Å; A691-F771 HydrophobicContact CB-CZ 3.86Å; A691-I833 HydrophobicContact CB-CG2 4.18Å; A691-L834 HydrophobicContact CB-CD2 3.5Å; A691-L834 VanDerWaalsContact CB-CD2 3.5Å; A691-L834 HydrophobicContact CB-CG 4.03Å
692R83.5Confident84.5Confident36 Ų3620.8 Ų20.814%0.1369%0.092CC..Hα-helixtrans-67-44.9174.8-73-178.2-171.2157.77.8112.4D278 E281 L688 Q689 L690 L694 N695 Y696 L834D278-R692 VanDerWaalsContact CG-NH1 3.33Å; D278-R692 IonicContact OD1-CZ 3.13Å; D278-R692 IonicContact OD1-NH1 2.71Å; D278-R692 PolarHBondContact OD1-NH1 3.13Å; D278-R692 IonicContact OD2-NH1 3.29Å; D278-R692 PolarHBondContact OD2-NH1 3.11Å; E281-R692 IonicContact OE1-CZ 2.64Å; E281-R692 IonicContact OE1-NH1 2.62Å; E281-R692 PolarHBondContact OE1-NH1 2.83Å; E281-R692 IonicContact OE1-NH2 3.07Å; E281-R692 PolarHBondContact OE1-NH2 3.24Å; L688-R692 WeakPolarHBondContact O-CG 3.4Å; L688-R692 PolarHBondContact O-N 3.12Å; Q689-R692 PolarHBondContact O-N 3.01Å; L690-R692 VanDerWaalsContact C-N 3.28Å; L690-R692 PolarHBondContact O-N 2.78Å; R692-L694 VanDerWaalsContact C-N 3.27Å; R692-L694 PolarHBondContact O-N 3.41Å; R692-N695 PolarHBondContact O-N 2.81Å; R692-Y696 PolarHBondContact O-N 3.01Å; R692-L834 HydrophobicContact CG-CD1 4.39Å; R692-L834 HydrophobicContact CG-CD2 3.79Å
693A87.1Confident84.3Confident0 Ų022.2 Ų22.20%010%0.102CC..Hα-helixtrans-58-42.617500000111.5H641 L642 Q689 L690 Y696 L697H641-A693 HydrophobicContact CB-CB 3.98Å; L642-A693 HydrophobicContact CD2-CB 4.23Å; Q689-A693 PolarHBondContact O-N 2.92Å; Q689-A693 VanDerWaalsContact O-N 3.15Å; L690-A693 PolarHBondContact O-N 2.81Å; A693-Y696 WeakPolarHBondContact O-CB 3.42Å; A693-Y696 PolarHBondContact O-N 2.62Å; A693-L697 WeakPolarHBondContact O-CG 3.37Å; A693-L697 PolarHBondContact O-N 3.49Å; A693-L697 VanDerWaalsContact O-N 3.1Å
694L91.1Very high84.2Confident1 Ų121.7 Ų21.71%0.00510%0.1CC..Hα-helixtrans-73.3-35.9179.4-64.5169.4000112.7L690 A691 R692 Y696 L697 E698 H704 V707 L729 F771 F830L690-L694 HydrophobicContact CD1-CD1 4.11Å; L690-L694 HydrophobicContact CD1-CG 4.37Å; L690-L694 HydrophobicContact CG-CD1 4Å; L690-L694 WeakPolarHBondContact O-CG 3.32Å; L690-L694 PolarHBondContact O-N 3.27Å; A691-L694 PolarHBondContact O-N 2.79Å; R692-L694 VanDerWaalsContact C-N 3.27Å; R692-L694 PolarHBondContact O-N 3.41Å; L694-Y696 VanDerWaalsContact C-N 3.32Å; L694-Y696 PolarHBondContact O-N 3.17Å; L694-L697 HydrophobicContact CD2-CD1 4.37Å; L694-L697 PolarHBondContact O-N 2.84Å; L694-E698 WeakPolarHBondContact O-CB 3.35Å; L694-E698 PolarHBondContact O-N 2.82Å; L694-H704 HydrophobicContact CD2-CB 4.4Å; L694-V707 HydrophobicContact CD1-CG1 4.15Å; L694-V707 HydrophobicContact CD1-CG2 4.39Å; L694-V707 HydrophobicContact CD2-CG2 3.68Å; L694-L729 HydrophobicContact CD2-CD2 3.82Å; L694-L729 HydrophobicContact CG-CD2 4.5Å; L694-F771 HydrophobicContact CD1-CB 4.1Å; L694-F771 HydrophobicContact CD1-CD2 3.69Å; L694-F771 HydrophobicContact CD1-CG 4.24Å; L694-F830 HydrophobicContact CB-CD1 3.71Å; L694-F830 HydrophobicContact CB-CD2 3.98Å; L694-F830 HydrophobicContact CB-CE1 3.44Å; L694-F830 VanDerWaalsContact CB-CE1 3.44Å; L694-F830 HydrophobicContact CB-CE2 3.71Å; L694-F830 HydrophobicContact CB-CG 3.99Å; L694-F830 HydrophobicContact CB-CZ 3.44Å; L694-F830 VanDerWaalsContact CB-CZ 3.44Å; L694-F830 HydrophobicContact CD1-CD1 4.45Å; L694-F830 HydrophobicContact CD1-CE1 3.48Å; L694-F830 VanDerWaalsContact CD1-CE1 3.48Å; L694-F830 HydrophobicContact CD1-CZ 3.56Å; L694-F830 HydrophobicContact CD2-CZ 4.47Å; L694-F830 HydrophobicContact CG-CE1 4.08Å; L694-F830 HydrophobicContact CG-CZ 4Å
695N87Confident84.1Confident7 Ų721.7 Ų21.74%0.03710%0.103CC..Hα-helixtrans-60.3-42.9170.2-176.971.2000111.2A691 R692 L697 E698 T699 F830 Q831 L834A691-N695 WeakPolarHBondContact O-CB 3.39Å; A691-N695 PolarHBondContact O-N 3.29Å; R692-N695 PolarHBondContact O-N 2.81Å; N695-L697 VanDerWaalsContact C-N 3.34Å; N695-L697 PolarHBondContact O-N 2.99Å; N695-E698 PolarHBondContact O-N 3.06Å; N695-T699 VanDerWaalsContact O-CG2 3.31Å; N695-T699 WeakPolarHBondContact O-CG2 3.48Å; N695-T699 PolarHBondContact O-N 2.89Å; N695-T699 PolarHBondContact O-OG1 2.82Å; N695-F830 HydrophobicContact CB-CB 3.77Å; N695-Q831 PolarHBondContact OD1-N 3.47Å; N695-L834 HydrophobicContact CB-CD1 3.71Å
696Y80.6Confident84.4Confident44 Ų4421.1 Ų21.117%0.17310%0.099CC..Hα-helixtrans-57.7-46.6173.8171.7-89.9000111.3V637 S638 H639 L642 R692 A693 L694 T699 K700V637-Y696 HydrophobicContact CB-CE1 3.93Å; V637-Y696 HydrophobicContact CG1-CE1 4.07Å; S638-Y696 PolarHBondContact N-OH 2.72Å; S638-Y696 VanDerWaalsContact N-OH 3.12Å; S638-Y696 PolarHBondContact O-OH 2.84Å; H639-Y696 HydrophobicContact CB-CD1 4.02Å; H639-Y696 HydrophobicContact CB-CD2 4.44Å; H639-Y696 HydrophobicContact CB-CE1 4.18Å; H639-Y696 HydrophobicContact CB-CG 4.17Å; H639-Y696 AromaticContact CD2-CD2 3.8Å; H639-Y696 AromaticContact CD2-CG 3.66Å; L642-Y696 HydrophobicContact CD1-CD1 4.01Å; L642-Y696 HydrophobicContact CD1-CE1 4.03Å; R692-Y696 PolarHBondContact O-N 3.01Å; A693-Y696 WeakPolarHBondContact O-CB 3.42Å; A693-Y696 PolarHBondContact O-N 2.62Å; L694-Y696 VanDerWaalsContact C-N 3.32Å; L694-Y696 PolarHBondContact O-N 3.17Å; Y696-T699 PolarHBondContact O-N 2.96Å; Y696-T699 PolarHBondContact O-OG1 2.98Å; Y696-K700 HydrophobicContact CE1-CG 4.37Å; Y696-K700 WeakPolarHBondContact O-CG 3.36Å; Y696-K700 PolarHBondContact O-N 3.49Å
697L82.7Confident84.5Confident8 Ų821.1 Ų21.14%0.04210%0.099CC..Hα-helixtrans-62.9-43175.9-65.3178.2000112.3V637 L642 A693 L694 N695 T699 K700 R701 L702 H704V637-L697 HydrophobicContact CG1-CD2 4.26Å; L642-L697 HydrophobicContact CD1-CD2 4.05Å; L642-L697 HydrophobicContact CD2-CD1 4.43Å; A693-L697 WeakPolarHBondContact O-CG 3.37Å; A693-L697 PolarHBondContact O-N 3.49Å; A693-L697 VanDerWaalsContact O-N 3.1Å; L694-L697 HydrophobicContact CD2-CD1 4.37Å; L694-L697 PolarHBondContact O-N 2.84Å; N695-L697 VanDerWaalsContact C-N 3.34Å; N695-L697 PolarHBondContact O-N 2.99Å; L697-T699 PolarHBondContact O-N 2.84Å; L697-K700 CarbonylContact O-C 3.51Å; L697-K700 PolarHBondContact O-N 3.49Å; L697-K700 VanDerWaalsContact O-N 3.12Å; L697-R701 PolarHBondContact O-N 3.42Å; L697-R701 VanDerWaalsContact O-N 3.1Å; L697-L702 CarbonylContact C-O 3.44Å; L697-L702 HydrophobicContact CB-CB 4.25Å; L697-L702 HydrophobicContact CD2-CB 4.18Å; L697-L702 HydrophobicContact CD2-CD1 3.97Å; L697-L702 PolarHBondContact O-N 3.03Å; L697-H704 HydrophobicContact CD1-CB 4Å
698E84.6Confident84.5Confident20 Ų2021.7 Ų21.79%0.09310%0.102CC..Hα-helixtrans-59.3-45.3177.4-175.8173.1-114.300111.6L694 N695 K700 R701 Q768 F830L694-E698 WeakPolarHBondContact O-CB 3.35Å; L694-E698 PolarHBondContact O-N 2.82Å; N695-E698 PolarHBondContact O-N 3.06Å; E698-K700 PolarHBondContact O-N 2.82Å; E698-R701 WeakPolarHBondContact O-CA 3.39Å; E698-R701 PolarHBondContact O-N 3.26Å; E698-Q768 PolarHBondContact OE1-NE2 3.42Å; E698-Q768 VanDerWaalsContact OE1-NE2 3.13Å; E698-F830 HydrophobicContact CB-CD2 4.12Å; E698-F830 WeakPolarHBondContact OE2-CB 3.21Å; E698-F830 PolarHBondContact OE2-N 2.91Å
699T71.9Confident84.9Confident33 Ų3321 Ų2120%0.20210%0.099CC..Hα-helixtrans-63.2-29.817763.10000113.1C553 N695 Y696 L697 R701C553-T699 PolarHBondContact SG-O 3.13Å; C553-T699 VanDerWaalsContact SG-O 3.33Å; N695-T699 VanDerWaalsContact O-CG2 3.31Å; N695-T699 WeakPolarHBondContact O-CG2 3.48Å; N695-T699 PolarHBondContact O-N 2.89Å; N695-T699 PolarHBondContact O-OG1 2.82Å; Y696-T699 PolarHBondContact O-N 2.96Å; Y696-T699 PolarHBondContact O-OG1 2.98Å; L697-T699 PolarHBondContact O-N 2.84Å; T699-R701 VanDerWaalsContact C-N 3.28Å
700K68.4Low85.1Confident45 Ų4526 Ų2620%0.19612%0.121CC..THydrogen-bonded Turntrans-84.60.9173.3-62.5-61-179.4-171.10113.4Y696 L697 E698 L702Y696-K700 HydrophobicContact CE1-CG 4.37Å; Y696-K700 WeakPolarHBondContact O-CG 3.36Å; Y696-K700 PolarHBondContact O-N 3.49Å; L697-K700 CarbonylContact O-C 3.51Å; L697-K700 PolarHBondContact O-N 3.49Å; L697-K700 VanDerWaalsContact O-N 3.12Å; E698-K700 PolarHBondContact O-N 2.82Å; K700-L702 HydrophobicContact CB-CD1 4.11Å; K700-L702 HydrophobicContact CB-CG 4.09Å; K700-L702 PolarHBondContact O-N 3.09Å
701R73.8Confident85Confident143 Ų14327.2 Ų27.254%0.5413%0.127SC..THydrogen-bonded Turntrans5638.5-174.9-54.9-178.5-178.7-177.1-0.6112.5L697 E698 T699L697-R701 PolarHBondContact O-N 3.42Å; L697-R701 VanDerWaalsContact O-N 3.1Å; E698-R701 WeakPolarHBondContact O-CA 3.39Å; E698-R701 PolarHBondContact O-N 3.26Å; T699-R701 VanDerWaalsContact C-N 3.28Å
702L77.6Confident85.2Confident10 Ų1027.2 Ų27.25%0.05213%0.127CC..  trans-104.6143.7174.7-67.8177.9000109.6L556 L633 V637 L697 K700L556-L702 HydrophobicContact CB-CD2 4.28Å; L556-L702 HydrophobicContact CD1-CD1 3.56Å; L556-L702 HydrophobicContact CD1-CD2 3.73Å; L556-L702 HydrophobicContact CD1-CG 3.91Å; L556-L702 HydrophobicContact CG-CD2 4.5Å; L633-L702 HydrophobicContact CD1-CB 4.37Å; L633-L702 HydrophobicContact CD1-CD1 3.44Å; L633-L702 VanDerWaalsContact CD1-CD1 3.44Å; L633-L702 HydrophobicContact CD1-CD2 3.28Å; L633-L702 HydrophobicContact CD1-CG 3.83Å; V637-L702 HydrophobicContact CG1-CD1 3.46Å; V637-L702 VanDerWaalsContact CG1-CD1 3.46Å; L697-L702 CarbonylContact C-O 3.44Å; L697-L702 HydrophobicContact CB-CB 4.25Å; L697-L702 HydrophobicContact CD2-CB 4.18Å; L697-L702 HydrophobicContact CD2-CD1 3.97Å; L697-L702 PolarHBondContact O-N 3.03Å; K700-L702 HydrophobicContact CB-CD1 4.11Å; K700-L702 HydrophobicContact CB-CG 4.09Å; K700-L702 PolarHBondContact O-N 3.09Å
703V83.8Confident85.7Confident40 Ų4026.5 Ų26.524%0.24213%0.126CC..  trans-114.5126.4174.5-1750000107.4I762 D767V703-I762 HydrophobicContact CG1-CG2 3.91Å; V703-D767 WeakPolarHBondContact CA-OD2 3.32Å; V703-D767 WeakPolarHBondContact CG1-OD2 3.47Å
704H87.8Confident85.9Confident9 Ų926.5 Ų26.54%0.04213%0.126CC..  trans-72-52.8174.7-171.7-93.6000109.9L694 L697 N706 V707 S730 P732 D767L694-H704 HydrophobicContact CD2-CB 4.4Å; L697-H704 HydrophobicContact CD1-CB 4Å; H704-N706 VanDerWaalsContact C-N 3.26Å; H704-N706 PolarHBondContact CE1-O 3.4Å; H704-N706 PolarHBondContact ND1-N 3.26Å; H704-N706 PolarHBondContact O-N 3.27Å; H704-V707 HydrophobicContact CB-CG2 3.99Å; H704-S730 PolarHBondContact NE2-O 2.94Å; H704-P732 WeakPolarHBondContact O-CB 3.26Å; H704-D767 PolarHBondContact N-OD2 3.08Å
705G84.6Confident85.6Confident12 Ų1226.7 Ų26.712%0.12413%0.128CC..  trans77.60173.500000115.3L736 D767G705-L736 WeakPolarHBondContact O-CD1 3.19Å; G705-L736 WeakPolarHBondContact O-CG 3.47Å; G705-D767 WeakPolarHBondContact CA-OD1 3.46Å; G705-D767 PolarHBondContact N-OD1 3.11Å
706N88.6Confident85.6Confident22 Ų2228.1 Ų28.112%0.11813%0.133CC..  trans-146.250.2177.7-16218.8000112.3H704 C708 N711 P732 R747H704-N706 VanDerWaalsContact C-N 3.26Å; H704-N706 PolarHBondContact CE1-O 3.4Å; H704-N706 PolarHBondContact ND1-N 3.26Å; H704-N706 PolarHBondContact O-N 3.27Å; N706-C708 PolarHBondContact O-N 2.75Å; N706-N711 PolarHBondContact ND2-ND2 3.35Å; N706-N711 PolarHBondContact O-ND2 3.25Å; N706-P732 HydrophobicContact CB-CB 4.09Å; N706-P732 WeakPolarHBondContact CB-O 3.45Å; N706-P732 PolarHBondContact ND2-O 2.91Å; N706-R747 VanDerWaalsContact CG-NH1 3.32Å; N706-R747 PolarHBondContact OD1-NH1 2.78Å
707V93.6Very high85.7Confident0 Ų026.7 Ų26.70%013%0.132CC..  trans-81.6114.9-180-173.30000109.8L690 L694 H704 D767 S770 T774L690-V707 HydrophobicContact CD1-CG1 4.28Å; L690-V707 HydrophobicContact CD2-CG1 4.25Å; L694-V707 HydrophobicContact CD1-CG1 4.15Å; L694-V707 HydrophobicContact CD1-CG2 4.39Å; L694-V707 HydrophobicContact CD2-CG2 3.68Å; H704-V707 HydrophobicContact CB-CG2 3.99Å; V707-D767 HydrophobicContact CG2-CB 4.48Å; V707-S770 WeakPolarHBondContact O-CB 3.27Å; V707-T774 PolarHBondContact O-OG1 3.47Å
708C92.8Very high85.7Confident12 Ų1227 Ų278%0.08114%0.136CC..SBendtrans-156.7160.4175620000109.7N706 K710 N711 V712 W750 T774N706-C708 PolarHBondContact O-N 2.75Å; C708-K710 PolarHBondContact O-N 3.04Å; C708-K710 VanDerWaalsContact O-N 3.13Å; C708-N711 PolarHBondContact O-N 3.31Å; C708-V712 PolarHBondContact O-N 2.7Å; C708-V712 VanDerWaalsContact O-N 3.15Å; C708-W750 HydrophobicContact CB-CD2 4.12Å; C708-W750 HydrophobicContact CB-CG 3.84Å; C708-T774 WeakPolarHBondContact CA-OG1 3.31Å
709A92.5Very high85.7Confident0 Ų029.2 Ų29.20%015%0.148CC..THydrogen-bonded Turntrans-65.6-19.5-177.200000113L667 D668 N711 V712 T774 E777L667-A709 HydrophobicContact CB-CB 4.18Å; L667-A709 WeakPolarHBondContact CB-O 3.41Å; L667-A709 HydrophobicContact CD2-CB 4.12Å; L667-A709 HydrophobicContact CG-CB 4.14Å; L667-A709 PolarHBondContact N-O 3.28Å; D668-A709 HydrophobicContact CB-CB 3.91Å; D668-A709 PolarHBondContact N-O 3.42Å; A709-N711 VanDerWaalsContact C-N 3.3Å; A709-N711 PolarHBondContact O-N 3.49Å; A709-V712 PolarHBondContact O-N 3.06Å; A709-T774 HydrophobicContact CB-CG2 4.44Å; A709-E777 HydrophobicContact CB-CG 3.87Å; A709-E777 WeakPolarHBondContact CB-OE2 3.38Å; A709-E777 PolarHBondContact N-OE2 3.29Å
710K90.4Very high86Confident104 Ų10434.4 Ų34.445%0.45217%0.17SC..THydrogen-bonded Turntrans-64-33.3169.2-177.4178.8176-177.50112.9R579 C708R579-K710 PolarHBondContact O-NZ 2.84Å; C708-K710 PolarHBondContact O-N 3.04Å; C708-K710 VanDerWaalsContact O-N 3.13Å
711N92.1Very high85.9Confident25 Ų2538.7 Ų38.713%0.13420%0.203CC..THydrogen-bonded Turntrans-95.2-5179.3-70-16.5000112.9N706 C708 A709 S730N706-N711 PolarHBondContact ND2-ND2 3.35Å; N706-N711 PolarHBondContact O-ND2 3.25Å; C708-N711 PolarHBondContact O-N 3.31Å; A709-N711 VanDerWaalsContact C-N 3.3Å; A709-N711 PolarHBondContact O-N 3.49Å; N711-S730 WeakPolarHBondContact O-CB 3.46Å; N711-S730 PolarHBondContact O-N 3.26Å
712V94.6Very high85.4Confident0 Ų034.2 Ų34.20%020%0.201CC..EExtended strand (participates in β ladder)trans-90.7122.2168.5-179.20000107.8L667 L690 C708 A709 I727 L729L667-V712 HydrophobicContact CB-CB 4.02Å; L667-V712 HydrophobicContact CB-CG1 4.12Å; L667-V712 WeakPolarHBondContact CB-O 3.25Å; L667-V712 HydrophobicContact CD2-CB 3.97Å; L667-V712 HydrophobicContact CD2-CG1 3.72Å; L667-V712 PolarHBondContact N-O 3.19Å; L690-V712 HydrophobicContact CD1-CG2 3.93Å; L690-V712 HydrophobicContact CD2-CG2 4.19Å; C708-V712 PolarHBondContact O-N 2.7Å; C708-V712 VanDerWaalsContact O-N 3.15Å; A709-V712 PolarHBondContact O-N 3.06Å; V712-I727 HydrophobicContact CG1-CB 3.82Å; V712-I727 HydrophobicContact CG1-CD1 3.83Å; V712-I727 HydrophobicContact CG1-CG1 4.22Å; V712-I727 HydrophobicContact CG1-CG2 4.17Å; V712-L729 HydrophobicContact CG2-CD1 4.07Å
713L93.6Very high85Confident22 Ų2236.4 Ų36.412%0.11522%0.215CC..EExtended strand (participates in β ladder)trans-105.5136.8-178.2-55.8-175.5000110V643 L662 G665 P666 I727 K728V643-L713 HydrophobicContact CG2-CD1 3.94Å; L662-L713 HydrophobicContact CB-CB 4.48Å; L662-L713 HydrophobicContact CD1-CB 3.45Å; L662-L713 VanDerWaalsContact CD1-CB 3.45Å; L662-L713 HydrophobicContact CD1-CD1 3.91Å; L662-L713 HydrophobicContact CD1-CG 4.31Å; G665-L713 CarbonylContact O-C 3.47Å; G665-L713 WeakPolarHBondContact O-CA 3.41Å; P666-L713 HydrophobicContact CB-CD2 4.34Å; P666-L713 HydrophobicContact CG-CD2 4.07Å; L713-I727 CarbonylContact O-C 3.43Å; L713-I727 VanDerWaalsContact O-CA 3.25Å; L713-I727 WeakPolarHBondContact O-CA 3.47Å; L713-K728 PolarHBondContact N-O 2.9Å; L713-K728 PolarHBondContact O-N 3.19Å
714V92Very high84.5Confident0 Ų035.7 Ų35.70%021%0.212CC..EExtended strand (participates in β ladder)trans-87.4120175.7-177.20000108.2C664 G665 L667 F670 R716 I727C664-V714 HydrophobicContact CB-CB 3.69Å; C664-V714 HydrophobicContact CB-CG1 3.71Å; C664-V714 VanDerWaalsContact CB-O 3.28Å; C664-V714 WeakPolarHBondContact CB-O 3.48Å; C664-V714 PolarHBondContact N-O 3.3Å; G665-V714 PolarHBondContact O-N 3.18Å; L667-V714 HydrophobicContact CB-CG2 4.1Å; L667-V714 HydrophobicContact CD1-CG2 3.7Å; F670-V714 HydrophobicContact CB-CG2 4.05Å; F670-V714 HydrophobicContact CD1-CG2 4.33Å; F670-V714 HydrophobicContact CD2-CB 4.45Å; F670-V714 HydrophobicContact CD2-CG1 4.31Å; F670-V714 HydrophobicContact CD2-CG2 4.47Å; F670-V714 HydrophobicContact CE2-CG1 4.3Å; F670-V714 HydrophobicContact CG-CG2 4.04Å; V714-R716 WeakPolarHBondContact CG1-O 3.46Å; V714-I727 HydrophobicContact CG2-CG2 4.36Å
715A85.8Confident84.4Confident5 Ų535.5 Ų35.54%0.04121%0.211CC..EExtended strand (participates in β ladder)trans-91.1-48.817400000110.5L662 F726 T892L662-A715 HydrophobicContact CD1-CB 4.5Å; L662-A715 HydrophobicContact CD2-CB 3.84Å; A715-F726 HydrophobicContact CB-CD1 4.03Å; A715-F726 PolarHBondContact N-O 3.4Å; A715-T892 HydrophobicContact CB-CG2 3.76Å
716R85.2Confident84.4Confident36 Ų3635.2 Ų35.214%0.13621%0.207CC..EExtended strand (participates in β ladder)trans-120.2126174.5-179.4172.657.3-137.411.7110.1V714 G718 S724 P725 F726 D890 T892V714-R716 WeakPolarHBondContact CG1-O 3.46Å; R716-G718 PolarHBondContact O-N 3.08Å; R716-S724 PolarHBondContact NE-O 3.04Å; R716-S724 PolarHBondContact NH2-OG 3.39Å; R716-P725 WeakPolarHBondContact O-CA 3.43Å; R716-F726 HydrophobicContact CB-CB 3.81Å; R716-F726 PolarHBondContact N-O 3.05Å; R716-F726 VanDerWaalsContact N-O 3.13Å; R716-F726 PolarHBondContact O-N 3.36Å; R716-D890 WeakPolarHBondContact CD-OD2 3.48Å; R716-D890 IonicContact CZ-OD2 2.87Å; R716-D890 IonicContact NE-OD2 2.66Å; R716-D890 IonicContact NH1-OD2 2.71Å; R716-D890 PolarHBondContact NH1-OD2 3.01Å; R716-T892 HydrophobicContact CB-CG2 4.11Å
717G83.1Confident84.6Confident15 Ų1534.1 Ų34.116%0.15520%0.201CC..  trans-66-34-179.100000113.9W682 L719W682-G717 PolarHBondContact NE1-O 3.31Å; G717-L719 VanDerWaalsContact C-N 3.25Å; G717-L719 PolarHBondContact O-N 3.16Å
718G82.7Confident84.5Confident13 Ų1334.4 Ų34.413%0.13420%0.202CC..  trans62.327.9173.800000115R716 T723R716-G718 PolarHBondContact O-N 3.08Å; G718-T723 WeakPolarHBondContact CA-OG1 3.43Å
719L84.3Confident84.6Confident67 Ų6733.8 Ų33.835%0.35120%0.198SC..  trans-96.3-12.3-180-59.1178.4000112.3F670 E674 I678 G717F670-L719 HydrophobicContact CE1-CD1 4.41Å; F670-L719 HydrophobicContact CZ-CD1 3.97Å; F670-L719 HydrophobicContact CZ-CG 4.4Å; E674-L719 HydrophobicContact CB-CD1 4.07Å; E674-L719 HydrophobicContact CG-CD1 4.01Å; I678-L719 HydrophobicContact CG1-CD2 4.17Å; G717-L719 VanDerWaalsContact C-N 3.25Å; G717-L719 PolarHBondContact O-N 3.16Å
720E78.5Confident84.5Confident143 Ų14334 Ų3467%0.66820%0.2SC*.SBendtrans-84.1145.5179.8-62.2-178.7178.100110.6G722 T723E720-G722 PolarHBondContact O-N 2.79Å; E720-T723 HydrophobicContact CB-CG2 4.11Å; E720-T723 PolarHBondContact N-OG1 2.98Å; E720-T723 PolarHBondContact O-N 3.18Å; E720-T723 PolarHBondContact O-OG1 3.49Å
721P67.1Low84.4Confident135 Ų13529.4 Ų29.488%0.87718%0.18SC*.THydrogen-bonded Turntrans-54.3129.5178.4-24.833.6000112.3T723P721-T723 VanDerWaalsContact C-N 3.34Å
722G62Low83.9Confident49 Ų4928.7 Ų28.751%0.50518%0.177SC..THydrogen-bonded Turntrans79.98.9-178.300000115E720 T852E720-G722 PolarHBondContact O-N 2.79Å; G722-T852 WeakPolarHBondContact O-CG2 3.47Å
723T69.6Low83.2Confident56 Ų5629.4 Ų29.434%0.34418%0.184SC..  trans-114.9145.3175.269.90000111.2G718 E720 P721G718-T723 WeakPolarHBondContact CA-OG1 3.43Å; E720-T723 HydrophobicContact CB-CG2 4.11Å; E720-T723 PolarHBondContact N-OG1 2.98Å; E720-T723 PolarHBondContact O-N 3.18Å; E720-T723 PolarHBondContact O-OG1 3.49Å; P721-T723 VanDerWaalsContact C-N 3.34Å
724S73.2Confident82.5Confident25 Ų2528.5 Ų28.518%0.17518%0.179CC..  trans-108.9150.9175.459.80000111R716R716-S724 PolarHBondContact NE-O 3.04Å; R716-S724 PolarHBondContact NH2-OG 3.39Å
725P86Confident81.7Confident5 Ų529.9 Ų29.93%0.03219%0.191CC..  trans-63.9152.9173.322.3-29.3000111.6W682 V685 V686 Q689 R716W682-P725 HydrophobicContact CD2-CB 4.23Å; W682-P725 HydrophobicContact CD2-CG 4.09Å; W682-P725 HydrophobicContact CG-CB 4.45Å; W682-P725 HydrophobicContact CG-CG 3.94Å; W682-P725 HydrophobicContact CZ2-CB 3.84Å; V685-P725 HydrophobicContact CB-CG 3.89Å; V685-P725 HydrophobicContact CG1-CG 3.75Å; V686-P725 HydrophobicContact CG2-CB 3.79Å; V686-P725 HydrophobicContact CG2-CG 3.9Å; Q689-P725 PolarHBondContact NE2-O 3.39Å; Q689-P725 PolarHBondContact OE1-O 2.83Å; R716-P725 WeakPolarHBondContact O-CA 3.43Å
726F85.7Confident81.2Confident5 Ų530.2 Ų30.22%0.02219%0.192CC..EExtended strand (participates in β ladder)trans-137.2123.7171.4-162.6-77.9000110.1S640 H641 A715 R716 K728 T892S640-F726 WeakPolarHBondContact O-CE1 3.39Å; H641-F726 AromaticContact CE1-CD2 3.87Å; H641-F726 AromaticContact CE1-CE1 3.94Å; H641-F726 AromaticContact CE1-CE2 3.46Å; H641-F726 VanDerWaalsContact CE1-CE2 3.46Å; H641-F726 WeakPolarHBondContact CE1-CE2 3.43Å; H641-F726 AromaticContact CE1-CZ 3.51Å; H641-F726 AromaticContact ND1-CE1 3.66Å; H641-F726 AromaticContact ND1-CZ 3.63Å; A715-F726 HydrophobicContact CB-CD1 4.03Å; A715-F726 PolarHBondContact N-O 3.4Å; R716-F726 HydrophobicContact CB-CB 3.81Å; R716-F726 PolarHBondContact N-O 3.05Å; R716-F726 VanDerWaalsContact N-O 3.13Å; R716-F726 PolarHBondContact O-N 3.36Å; F726-K728 HydrophobicContact CD1-CG 4.42Å; F726-K728 HydrophobicContact CE1-CG 4.02Å; F726-T892 HydrophobicContact CB-CG2 3.58Å; F726-T892 HydrophobicContact CD1-CG2 3.48Å; F726-T892 VanDerWaalsContact CD1-CG2 3.48Å; F726-T892 HydrophobicContact CD2-CG2 4.07Å; F726-T892 HydrophobicContact CE1-CG2 4.11Å; F726-T892 HydrophobicContact CG-CG2 3.43Å; F726-T892 VanDerWaalsContact CG-CG2 3.43Å
727I92.1Very high80.7Confident0 Ų034.4 Ų34.40%022%0.217CC..EExtended strand (participates in β ladder)trans-116156.5179.864.198.7000112.3H641 V686 Q689 L690 V712 L713 V714H641-I727 PolarHBondContact ND1-O 2.64Å; V686-I727 HydrophobicContact CB-CG2 4.41Å; V686-I727 HydrophobicContact CG1-CG1 4.33Å; V686-I727 HydrophobicContact CG1-CG2 3.87Å; V686-I727 HydrophobicContact CG2-CG2 3.86Å; Q689-I727 HydrophobicContact CB-CD1 4.01Å; Q689-I727 HydrophobicContact CB-CG1 3.69Å; L690-I727 HydrophobicContact CB-CD1 4.14Å; V712-I727 HydrophobicContact CG1-CB 3.82Å; V712-I727 HydrophobicContact CG1-CD1 3.83Å; V712-I727 HydrophobicContact CG1-CG1 4.22Å; V712-I727 HydrophobicContact CG1-CG2 4.17Å; L713-I727 CarbonylContact O-C 3.43Å; L713-I727 VanDerWaalsContact O-CA 3.25Å; L713-I727 WeakPolarHBondContact O-CA 3.47Å; V714-I727 HydrophobicContact CG2-CG2 4.36Å
728K92.1Very high80.4Confident5 Ų535.8 Ų35.82%0.02222%0.222CC..EExtended strand (participates in β ladder)trans-132.7132.3168.2-61.9-170.6175.6-177.90110.1S640 H641 V643 E660 L662 L713 F726S640-K728 WeakPolarHBondContact O-CE 3.48Å; H641-K728 CarbonylContact O-C 3.59Å; H641-K728 WeakPolarHBondContact O-CA 3.34Å; V643-K728 HydrophobicContact CG2-CB 3.7Å; E660-K728 WeakPolarHBondContact OE1-CD 3.46Å; E660-K728 IonicContact OE1-NZ 3.65Å; E660-K728 PolarHBondContact OE1-NZ 3.44Å; E660-K728 IonicContact OE2-NZ 3.62Å; E660-K728 PolarHBondContact OE2-NZ 2.8Å; L662-K728 HydrophobicContact CD1-CB 3.97Å; L662-K728 HydrophobicContact CD1-CD 4.16Å; L662-K728 HydrophobicContact CD1-CG 4.31Å; L662-K728 HydrophobicContact CD2-CD 4.34Å; L713-K728 PolarHBondContact N-O 2.9Å; L713-K728 PolarHBondContact O-N 3.19Å; F726-K728 HydrophobicContact CD1-CG 4.42Å; F726-K728 HydrophobicContact CE1-CG 4.02Å
729L93.6Very high80.3Confident0 Ų035.6 Ų35.60%022%0.218CC..EExtended strand (participates in β ladder)trans-78120.6172.717865.7000109.1H641 L642 V643 L690 L694 V712H641-L729 PolarHBondContact O-N 3.16Å; L642-L729 HydrophobicContact CD2-CB 4.07Å; L642-L729 HydrophobicContact CD2-CD2 4.25Å; L642-L729 HydrophobicContact CD2-CG 4.46Å; V643-L729 WeakPolarHBondContact CG2-O 3.45Å; V643-L729 PolarHBondContact N-O 3.15Å; L690-L729 HydrophobicContact CD1-CB 4.41Å; L690-L729 HydrophobicContact CD1-CD1 4.24Å; L690-L729 HydrophobicContact CD1-CD2 4.31Å; L694-L729 HydrophobicContact CD2-CD2 3.82Å; L694-L729 HydrophobicContact CG-CD2 4.5Å; V712-L729 HydrophobicContact CG2-CD1 4.07Å
730S91.6Very high80.4Confident4 Ų434.7 Ų34.73%0.02822%0.218CC..  trans-70.8176.7177.3-164.40000111.4K614 E659 H704 N711K614-S730 PolarHBondContact NZ-OG 3.47Å; E659-S730 PolarHBondContact OE2-OG 3.18Å; H704-S730 PolarHBondContact NE2-O 2.94Å; N711-S730 WeakPolarHBondContact O-CB 3.46Å; N711-S730 PolarHBondContact O-N 3.26Å
731D87.3Confident80.8Confident7 Ų732.2 Ų32.24%0.03720%0.202CC..  trans-64.2154.7176.188.9115.7000111.5K614 T630 M634 E659 G733K614-D731 IonicContact NZ-OD2 3.28Å; K614-D731 PolarHBondContact NZ-OD2 3.5Å; T630-D731 HydrophobicContact CG2-CB 4Å; T630-D731 VanDerWaalsContact CG2-OD1 3.29Å; T630-D731 WeakPolarHBondContact CG2-OD1 3.4Å; M634-D731 HydrophobicContact CE-CB 4.41Å; M634-D731 HydrophobicContact CG-CB 3.81Å; M634-D731 HydrophobicContact SD-CB 4.39Å; E659-D731 VanDerWaalsContact OE1-CG 3.28Å; D731-G733 PolarHBondContact O-N 3.45Å; D731-G733 WeakPolarHBondContact OD1-CA 3.02Å; D731-G733 PolarHBondContact OD1-N 2.95Å
732P81.4Confident81.7Confident11 Ų1132.6 Ų32.67%0.07119%0.192CC..  trans-73.3-8.5178.628.8-36.1000114.1T630 H704 N706T630-P732 HydrophobicContact CG2-CG 3.7Å; H704-P732 WeakPolarHBondContact O-CB 3.26Å; N706-P732 HydrophobicContact CB-CB 4.09Å; N706-P732 WeakPolarHBondContact CB-O 3.45Å; N706-P732 PolarHBondContact ND2-O 2.91Å
733G81.3Confident82.9Confident15 Ų1532.7 Ų32.716%0.15518%0.179CC..  trans73.2-138.6-172.700000111.9T630 D731T630-G733 WeakPolarHBondContact CB-O 3.37Å; T630-G733 WeakPolarHBondContact CG2-O 3.34Å; T630-G733 PolarHBondContact OG1-O 3.47Å; D731-G733 PolarHBondContact O-N 3.45Å; D731-G733 WeakPolarHBondContact OD1-CA 3.02Å; D731-G733 PolarHBondContact OD1-N 2.95Å
734I78.9Confident83.8Confident2 Ų232 Ų321%0.0117%0.17CC..SBendtrans-74.4132.9177.5-56.3-56.2000110.3L616 I623 V626 V738 L739L616-I734 HydrophobicContact CD1-CD1 3.99Å; I623-I734 HydrophobicContact CD1-CD1 3.92Å; I623-I734 HydrophobicContact CD1-CG1 3.98Å; I623-I734 HydrophobicContact CD1-CG2 3.94Å; V626-I734 HydrophobicContact CG1-CG2 4.2Å; I734-V738 HydrophobicContact CG2-CB 4.35Å; I734-V738 HydrophobicContact CG2-CG1 4.26Å; I734-L739 HydrophobicContact CB-CD2 4.32Å; I734-L739 HydrophobicContact CG2-CD2 4.07Å
735A74.1Confident84.5Confident29 Ų2931.2 Ų31.224%0.2416%0.164CC..  trans-58.4141.3-179.400000112.5V626 N737 V738V626-A735 HydrophobicContact CG1-CB 3.54Å; A735-N737 VanDerWaalsContact C-N 3.27Å; A735-N737 VanDerWaalsContact CB-OD1 3.23Å; A735-N737 WeakPolarHBondContact CB-OD1 3.23Å; A735-N737 PolarHBondContact O-N 2.97Å; A735-V738 PolarHBondContact O-N 3.33Å
736L76.1Confident84.6Confident13 Ų1335.5 Ų35.57%0.06819%0.187CC..G310 helixtrans-58.9-32.3-174.5-82.1176.5000114.1G705 V738 L739 R747 I751 I762G705-L736 WeakPolarHBondContact O-CD1 3.19Å; G705-L736 WeakPolarHBondContact O-CG 3.47Å; L736-V738 PolarHBondContact O-N 3.46Å; L736-L739 HydrophobicContact CD2-CD1 3.97Å; L736-L739 PolarHBondContact O-N 3.44Å; L736-R747 VanDerWaalsContact CD2-NH1 3.32Å; L736-I751 HydrophobicContact CD2-CD1 3.76Å; L736-I751 HydrophobicContact CD2-CG1 4.4Å; L736-I762 HydrophobicContact CB-CD1 3.31Å; L736-I762 HydrophobicContact CD1-CD1 3.57Å; L736-I762 HydrophobicContact CG-CD1 4.07Å
737N73.3Confident84.8Confident123 Ų12336.4 Ų36.466%0.65819%0.19SC*.G310 helixtrans-68.3-17.7-178.862.2-21.7000113.9A735A735-N737 VanDerWaalsContact C-N 3.27Å; A735-N737 VanDerWaalsContact CB-OD1 3.23Å; A735-N737 WeakPolarHBondContact CB-OD1 3.23Å; A735-N737 PolarHBondContact O-N 2.97Å
738V78.1Confident84.7Confident45 Ų4536.5 Ų36.527%0.27319%0.191SC..G310 helixtrans-100-13.5-177.2173.50000111.5I623 V626 I734 A735 L736I623-V738 HydrophobicContact CB-CG1 4.05Å; I623-V738 HydrophobicContact CG2-CG1 3.36Å; V626-V738 HydrophobicContact CB-CG2 4.45Å; V626-V738 HydrophobicContact CG1-CG2 4.08Å; V626-V738 HydrophobicContact CG2-CB 4.46Å; V626-V738 HydrophobicContact CG2-CG1 4.32Å; V626-V738 HydrophobicContact CG2-CG2 3.62Å; I734-V738 HydrophobicContact CG2-CB 4.35Å; I734-V738 HydrophobicContact CG2-CG1 4.26Å; A735-V738 PolarHBondContact O-N 3.33Å; L736-V738 PolarHBondContact O-N 3.46Å
739L80.5Confident84.7Confident8 Ų836.3 Ų36.34%0.04219%0.19CC..SBendtrans-71.4143.9177.1-59.7179.4000111T581 I734 L736 E743 R744T581-L739 HydrophobicContact CG2-CD2 3.63Å; I734-L739 HydrophobicContact CB-CD2 4.32Å; I734-L739 HydrophobicContact CG2-CD2 4.07Å; L736-L739 HydrophobicContact CD2-CD1 3.97Å; L736-L739 PolarHBondContact O-N 3.44Å; L739-E743 HydrophobicContact CB-CB 4.19Å; L739-R744 HydrophobicContact CB-CG 4Å
740S85.8Confident84.6Confident49 Ų4938.8 Ų38.834%0.34320%0.199SC..  trans-60.5157.4169.766.90000110.3E742 E743 R744S740-E742 PolarHBondContact O-N 3.27Å; S740-E743 VanDerWaalsContact CB-OE2 3.28Å; S740-E743 WeakPolarHBondContact CB-OE2 3.31Å; S740-E743 PolarHBondContact N-OE2 2.83Å; S740-E743 PolarHBondContact O-N 3Å; S740-E743 WeakPolarHBondContact OG-CB 3.39Å; S740-E743 VanDerWaalsContact OG-CG 3.26Å; S740-E743 WeakPolarHBondContact OG-CG 3.48Å; S740-E743 PolarHBondContact OG-N 2.87Å; S740-E743 PolarHBondContact OG-OE2 2.69Å; S740-R744 WeakPolarHBondContact O-CG 3.49Å; S740-R744 PolarHBondContact O-N 3.25Å
741R86.5Confident84.5Confident91 Ų9138.9 Ų38.934%0.34320%0.2SC..Hα-helixtrans-60-36.6176.3-169.6176.9-175.4-88.9-0.8111.7R744 L745 D757 E795R741-R744 WeakPolarHBondContact O-CB 3.44Å; R741-R744 PolarHBondContact O-N 3.36Å; R741-L745 WeakPolarHBondContact O-CG 3.45Å; R741-L745 PolarHBondContact O-N 3.48Å; R741-D757 IonicContact CZ-OD1 2.64Å; R741-D757 IonicContact NE-OD1 3.98Å; R741-D757 PolarHBondContact NE-OD1 3.36Å; R741-D757 VanDerWaalsContact NE-OD1 3.11Å; R741-D757 IonicContact NH2-OD1 3.19Å; R741-D757 PolarHBondContact NH2-OD1 3.29Å; R741-E795 IonicContact CZ-OE1 3.44Å; R741-E795 VanDerWaalsContact CZ-OE1 3.26Å; R741-E795 IonicContact NH1-OE1 3.95Å; R741-E795 PolarHBondContact NH1-OE1 2.83Å; R741-E795 IonicContact NH1-OE2 2.66Å; R741-E795 IonicContact NH2-OE1 3.5Å; R741-E795 PolarHBondContact NH2-OE1 2.8Å
742E87Confident84.7Confident143 Ų14338.6 Ų38.667%0.66820%0.198SC*.Hα-helixtrans-64.2-45.3177.4-66.1178.4-175.400111.9S740 R744 L745 D746S740-E742 PolarHBondContact O-N 3.27Å; E742-R744 VanDerWaalsContact C-N 3.27Å; E742-R744 PolarHBondContact O-N 3.29Å; E742-L745 PolarHBondContact O-N 3.01Å; E742-D746 PolarHBondContact O-N 3.35Å
743E86.9Confident85.2Confident51 Ų5139.2 Ų39.224%0.23820%0.202CC..Hα-helixtrans-62.4-35.2174.2-73.7163.7124.500112R582 L739 S740 D746 R747R582-E743 IonicContact CZ-OE1 3.6Å; R582-E743 IonicContact CZ-OE2 2.7Å; R582-E743 IonicContact NE-OE1 2.78Å; R582-E743 PolarHBondContact NE-OE1 3.03Å; R582-E743 IonicContact NE-OE2 3.44Å; R582-E743 IonicContact NH2-OE1 3.42Å; R582-E743 PolarHBondContact NH2-OE1 2.99Å; R582-E743 IonicContact NH2-OE2 3.89Å; R582-E743 PolarHBondContact NH2-OE2 3.11Å; L739-E743 HydrophobicContact CB-CB 4.19Å; S740-E743 VanDerWaalsContact CB-OE2 3.28Å; S740-E743 WeakPolarHBondContact CB-OE2 3.31Å; S740-E743 PolarHBondContact N-OE2 2.83Å; S740-E743 PolarHBondContact O-N 3Å; S740-E743 WeakPolarHBondContact OG-CB 3.39Å; S740-E743 VanDerWaalsContact OG-CG 3.26Å; S740-E743 WeakPolarHBondContact OG-CG 3.48Å; S740-E743 PolarHBondContact OG-N 2.87Å; S740-E743 PolarHBondContact OG-OE2 2.69Å; E743-D746 PolarHBondContact O-N 3.44Å; E743-R747 PolarHBondContact O-N 2.78Å
744R87.6Confident85.5Confident40 Ų4040.9 Ų40.915%0.15121%0.206CC..Hα-helixtrans-66.5-45.3174-73.9-171.9-74.1161.7-1.1111.6L739 S740 R741 E742 D746 R747 I751 C755 I756L739-R744 HydrophobicContact CB-CG 4Å; S740-R744 WeakPolarHBondContact O-CG 3.49Å; S740-R744 PolarHBondContact O-N 3.25Å; R741-R744 WeakPolarHBondContact O-CB 3.44Å; R741-R744 PolarHBondContact O-N 3.36Å; E742-R744 VanDerWaalsContact C-N 3.27Å; E742-R744 PolarHBondContact O-N 3.29Å; R744-D746 VanDerWaalsContact C-N 3.26Å; R744-D746 PolarHBondContact O-N 2.9Å; R744-R747 PolarHBondContact O-N 2.98Å; R744-I751 HydrophobicContact CB-CD1 3.74Å; R744-I751 HydrophobicContact CG-CD1 3.85Å; R744-I751 WeakPolarHBondContact O-CG2 3.32Å; R744-C755 WeakPolarHBondContact CD-O 3.26Å; R744-C755 PolarHBondContact NH1-O 3.43Å; R744-I756 HydrophobicContact CB-CD1 4.18Å; R744-I756 PolarHBondContact NH1-O 3.37Å; R744-I756 PolarHBondContact NH2-O 2.9Å
745L89.1Confident85.9Confident9 Ų941.2 Ų41.25%0.04721%0.208CC..Hα-helixtrans-62-34.5175.1-72.4175.7000112.3R741 E742 R747 I748 I756 L791 E795R741-L745 WeakPolarHBondContact O-CG 3.45Å; R741-L745 PolarHBondContact O-N 3.48Å; E742-L745 PolarHBondContact O-N 3.01Å; L745-R747 VanDerWaalsContact C-N 3.26Å; L745-R747 PolarHBondContact O-N 2.94Å; L745-I748 HydrophobicContact CD2-CD1 3.76Å; L745-I748 VanDerWaalsContact O-CB 3.3Å; L745-I748 WeakPolarHBondContact O-CB 3.36Å; L745-I748 VanDerWaalsContact O-CG1 3.28Å; L745-I748 WeakPolarHBondContact O-CG1 3.07Å; L745-I748 PolarHBondContact O-N 3.5Å; L745-I748 VanDerWaalsContact O-N 3.14Å; L745-I756 HydrophobicContact CD2-CD1 4.21Å; L745-I756 HydrophobicContact CD2-CG2 3.77Å; L745-I756 HydrophobicContact CG-CG2 4.49Å; L745-L791 HydrophobicContact CB-CD2 4Å; L745-E795 HydrophobicContact CD2-CB 3.97Å; L745-E795 HydrophobicContact CD2-CG 4.15Å
746D88.3Confident86.4Confident95 Ų9540.1 Ų40.151%0.50820%0.198SC..Hα-helixtrans-65.5-31.6178.3-169.247.4000112.5E742 E743 R744 I748 L791 K794E742-D746 PolarHBondContact O-N 3.35Å; E743-D746 PolarHBondContact O-N 3.44Å; R744-D746 VanDerWaalsContact C-N 3.26Å; R744-D746 PolarHBondContact O-N 2.9Å; D746-I748 PolarHBondContact O-N 3.32Å; D746-L791 HydrophobicContact CB-CD2 3.86Å; D746-K794 PolarHBondContact O-NZ 2.93Å; D746-K794 IonicContact OD1-NZ 3.11Å; D746-K794 PolarHBondContact OD1-NZ 3.44Å; D746-K794 VanDerWaalsContact OD1-NZ 3.15Å
747R88.8Confident86.4Confident25 Ų2545.3 Ų45.39%0.09423%0.226CC..THydrogen-bonded Turntrans-71.5-1.4175.1-68.5-176.2178.6-163.30.1114.3T581 N706 L736 E743 R744 L745 W750 I751T581-R747 PolarHBondContact OG1-NH2 2.73Å; N706-R747 VanDerWaalsContact CG-NH1 3.32Å; N706-R747 PolarHBondContact OD1-NH1 2.78Å; L736-R747 VanDerWaalsContact CD2-NH1 3.32Å; E743-R747 PolarHBondContact O-N 2.78Å; R744-R747 PolarHBondContact O-N 2.98Å; L745-R747 VanDerWaalsContact C-N 3.26Å; L745-R747 PolarHBondContact O-N 2.94Å; R747-W750 PolarHBondContact O-N 3.3Å; R747-I751 HydrophobicContact CB-CB 3.97Å; R747-I751 HydrophobicContact CB-CG2 4.13Å; R747-I751 PolarHBondContact O-N 2.97Å; R747-I751 VanDerWaalsContact O-N 3.16Å
748I90.6Very high85.6Confident1 Ų141.8 Ų41.81%0.00521%0.211CC..THydrogen-bonded Turntrans-66.3129.5171.6-64.6177.1000108.7L745 D746 I751 I756 M786 K794 Y798L745-I748 HydrophobicContact CD2-CD1 3.76Å; L745-I748 VanDerWaalsContact O-CB 3.3Å; L745-I748 WeakPolarHBondContact O-CB 3.36Å; L745-I748 VanDerWaalsContact O-CG1 3.28Å; L745-I748 WeakPolarHBondContact O-CG1 3.07Å; L745-I748 PolarHBondContact O-N 3.5Å; L745-I748 VanDerWaalsContact O-N 3.14Å; D746-I748 PolarHBondContact O-N 3.32Å; I748-I751 HydrophobicContact CB-CG2 4.48Å; I748-I751 HydrophobicContact CG1-CG2 3.65Å; I748-I756 HydrophobicContact CD1-CD1 4.18Å; I748-I756 HydrophobicContact CG1-CD1 4.21Å; I748-M786 HydrophobicContact CG2-CE 3.45Å; I748-M786 VanDerWaalsContact CG2-CE 3.45Å; I748-K794 HydrophobicContact CB-CB 4.02Å; I748-K794 HydrophobicContact CB-CD 4.15Å; I748-K794 HydrophobicContact CB-CG 4.29Å; I748-K794 HydrophobicContact CD1-CB 4.06Å; I748-K794 HydrophobicContact CG2-CB 3.94Å; I748-K794 HydrophobicContact CG2-CG 4.22Å; I748-Y798 HydrophobicContact CB-CE2 4.47Å; I748-Y798 HydrophobicContact CD1-CD2 3.67Å; I748-Y798 HydrophobicContact CD1-CE2 3.71Å; I748-Y798 HydrophobicContact CD1-CG 4.23Å; I748-Y798 HydrophobicContact CG1-CD2 4.11Å; I748-Y798 HydrophobicContact CG1-CE2 3.59Å; I748-Y798 HydrophobicContact CG2-CD1 4.42Å; I748-Y798 HydrophobicContact CG2-CE1 3.86Å; I748-Y798 HydrophobicContact CG2-CE2 4.25Å
749P91.6Very high84.3Confident1 Ų144.1 Ų44.11%0.00624%0.244CC..THydrogen-bonded Turncis-102.5217.437.8-34.1000116.7I751 W769 V773 L784 M786 Y798 L804P749-I751 PolarHBondContact O-N 2.97Å; P749-W769 PolarHBondContact O-NE1 3.29Å; P749-V773 HydrophobicContact CB-CG1 4.44Å; P749-V773 HydrophobicContact CG-CG1 3.84Å; P749-V773 WeakPolarHBondContact O-CG2 3.3Å; P749-L784 VanDerWaalsContact CD-CD2 3.46Å; P749-L784 HydrophobicContact CG-CD2 3.23Å; P749-L784 HydrophobicContact CG-CG 4.47Å; P749-M786 HydrophobicContact CB-SD 4.21Å; P749-M786 HydrophobicContact CG-SD 4.42Å; P749-Y798 VanDerWaalsContact C-OH 3.3Å; P749-Y798 VanDerWaalsContact CA-OH 3.29Å; P749-Y798 WeakPolarHBondContact CA-OH 3.27Å; P749-Y798 PolarHBondContact O-OH 2.87Å; P749-L804 HydrophobicContact CB-CD1 4.04Å; P749-L804 HydrophobicContact CB-CD2 4.15Å; P749-L804 HydrophobicContact CG-CD1 4.14Å; P749-L804 HydrophobicContact CG-CD2 4.17Å
750W91.6Very high83.1Confident53 Ų5346.2 Ų46.220%0.20126%0.263CS..THydrogen-bonded Turntrans-67.3-34.7-177.5-63.3-90.5000113.6C708 R747 S770 V773 E777 L784C708-W750 HydrophobicContact CB-CD2 4.12Å; C708-W750 HydrophobicContact CB-CG 3.84Å; R747-W750 PolarHBondContact O-N 3.3Å; W750-S770 WeakPolarHBondContact O-CA 3.5Å; W750-S770 WeakPolarHBondContact O-CB 3.38Å; W750-S770 PolarHBondContact O-OG 3.19Å; W750-V773 HydrophobicContact CB-CG1 4.49Å; W750-V773 HydrophobicContact CD2-CG1 4.28Å; W750-V773 HydrophobicContact CG-CB 4.48Å; W750-V773 HydrophobicContact CG-CG1 3.86Å; W750-E777 PolarHBondContact NE1-OE2 3.14Å; W750-L784 HydrophobicContact CH2-CD2 4.12Å; W750-L784 HydrophobicContact CZ2-CD2 3.96Å
751I90.4Very high81.8Confident6 Ų649.2 Ų49.23%0.03128%0.281CS..SBendtrans-67.6133.6177.1-169.5163.3000110.6L736 R744 R747 I748 P749 C755 I756 W769 Y798L736-I751 HydrophobicContact CD2-CD1 3.76Å; L736-I751 HydrophobicContact CD2-CG1 4.4Å; R744-I751 HydrophobicContact CB-CD1 3.74Å; R744-I751 HydrophobicContact CG-CD1 3.85Å; R744-I751 WeakPolarHBondContact O-CG2 3.32Å; R747-I751 HydrophobicContact CB-CB 3.97Å; R747-I751 HydrophobicContact CB-CG2 4.13Å; R747-I751 PolarHBondContact O-N 2.97Å; R747-I751 VanDerWaalsContact O-N 3.16Å; I748-I751 HydrophobicContact CB-CG2 4.48Å; I748-I751 HydrophobicContact CG1-CG2 3.65Å; P749-I751 PolarHBondContact O-N 2.97Å; I751-C755 HydrophobicContact CD1-CB 4.08Å; I751-C755 HydrophobicContact CG1-CB 3.76Å; I751-I756 HydrophobicContact CD1-CD1 4.01Å; I751-I756 HydrophobicContact CG1-CD1 4.33Å; I751-I756 HydrophobicContact CG2-CD1 3.65Å; I751-W769 PolarHBondContact O-NE1 2.75Å; I751-Y798 HydrophobicContact CG2-CE2 4.33Å; I751-Y798 PolarHBondContact O-OH 2.89Å
752A91.6Very high81.1Confident1 Ų147.4 Ų47.41%0.00828%0.278CS..  trans-66.5143.5177.800000111.2E754 C755 A766 W769A752-E754 VanDerWaalsContact C-N 3.27Å; A752-E754 WeakPolarHBondContact CB-OE2 3.44Å; A752-E754 PolarHBondContact O-N 3.02Å; A752-C755 VanDerWaalsContact O-CB 3.32Å; A752-C755 WeakPolarHBondContact O-CB 3.44Å; A752-C755 PolarHBondContact O-N 2.9Å; A752-A766 HydrophobicContact CB-CB 4.03Å; A752-W769 HydrophobicContact CB-CB 3.94Å; A752-W769 HydrophobicContact CB-CG 4Å
753P90.4Very high80.7Confident23 Ų2346.2 Ų46.215%0.14927%0.272CS..G310 helixtrans-55.1-38-175.5-27.634.4000114.3C755 I756 W769 Y798 Y822P753-C755 PolarHBondContact O-N 3.36Å; P753-I756 PolarHBondContact O-N 3.44Å; P753-W769 HydrophobicContact CG-CD2 4.45Å; P753-W769 HydrophobicContact CG-CE3 4.33Å; P753-W769 HydrophobicContact CG-CH2 3.65Å; P753-W769 HydrophobicContact CG-CZ2 3.79Å; P753-W769 HydrophobicContact CG-CZ3 3.93Å; P753-Y798 HydrophobicContact CB-CD2 4.02Å; P753-Y798 HydrophobicContact CB-CE2 4.23Å; P753-Y798 HydrophobicContact CB-CG 4.44Å; P753-Y798 HydrophobicContact CG-CD2 4.2Å; P753-Y798 HydrophobicContact CG-CE1 4.43Å; P753-Y798 HydrophobicContact CG-CE2 4.05Å; P753-Y798 HydrophobicContact CG-CG 4.46Å; P753-Y822 HydrophobicContact CB-CD1 3.89Å; P753-Y822 HydrophobicContact CB-CE1 4.1Å; P753-Y822 HydrophobicContact CG-CD1 3.53Å; P753-Y822 HydrophobicContact CG-CE1 3.62Å; P753-Y822 HydrophobicContact CG-CG 4.43Å
754E87.4Confident80.4Confident51 Ų5145.6 Ų45.624%0.23827%0.273CS..G310 helixtrans-67.3-16.217967.9-86.6-155.100114A752 S758 P824 R827A752-E754 VanDerWaalsContact C-N 3.27Å; A752-E754 WeakPolarHBondContact CB-OE2 3.44Å; A752-E754 PolarHBondContact O-N 3.02Å; E754-S758 WeakPolarHBondContact O-CB 3.37Å; E754-S758 PolarHBondContact O-OG 3.48Å; E754-P824 HydrophobicContact CB-CG 4.17Å; E754-P824 VanDerWaalsContact CD-CG 3.45Å; E754-P824 HydrophobicContact CG-CG 3.88Å; E754-P824 WeakPolarHBondContact OE1-CG 3.48Å; E754-R827 IonicContact OE1-CZ 2.68Å; E754-R827 IonicContact OE1-NH1 2.85Å; E754-R827 PolarHBondContact OE1-NH1 2.98Å; E754-R827 IonicContact OE1-NH2 3.06Å; E754-R827 PolarHBondContact OE1-NH2 3.15Å; E754-R827 IonicContact OE2-CZ 3.82Å; E754-R827 IonicContact OE2-NH1 3.43Å; E754-R827 IonicContact OE2-NH2 3.93Å; E754-R827 PolarHBondContact OE2-NH2 3.06Å
755C88.1Confident80.4Confident8 Ų844.5 Ų44.55%0.05427%0.271CS..G310 helixtrans-86.3-7.4179.9-620000113.1R744 I751 A752 P753R744-C755 WeakPolarHBondContact CD-O 3.26Å; R744-C755 PolarHBondContact NH1-O 3.43Å; I751-C755 HydrophobicContact CD1-CB 4.08Å; I751-C755 HydrophobicContact CG1-CB 3.76Å; A752-C755 VanDerWaalsContact O-CB 3.32Å; A752-C755 WeakPolarHBondContact O-CB 3.44Å; A752-C755 PolarHBondContact O-N 2.9Å; P753-C755 PolarHBondContact O-N 3.36Å
756I85.3Confident80.5Confident7 Ų744.1 Ų44.14%0.03627%0.269CS..THydrogen-bonded Turntrans-76-45.6-178.5-61.9-59.5000112.4R744 L745 I748 I751 P753 Y798R744-I756 HydrophobicContact CB-CD1 4.18Å; R744-I756 PolarHBondContact NH1-O 3.37Å; R744-I756 PolarHBondContact NH2-O 2.9Å; L745-I756 HydrophobicContact CD2-CD1 4.21Å; L745-I756 HydrophobicContact CD2-CG2 3.77Å; L745-I756 HydrophobicContact CG-CG2 4.49Å; I748-I756 HydrophobicContact CD1-CD1 4.18Å; I748-I756 HydrophobicContact CG1-CD1 4.21Å; I751-I756 HydrophobicContact CD1-CD1 4.01Å; I751-I756 HydrophobicContact CG1-CD1 4.33Å; I751-I756 HydrophobicContact CG2-CD1 3.65Å; P753-I756 PolarHBondContact O-N 3.44Å; I756-Y798 HydrophobicContact CG1-CD2 4.07Å; I756-Y798 HydrophobicContact CG1-CE2 4.25Å
757D74.9Confident80.7Confident121 Ų12139.8 Ų39.865%0.64725%0.246SC*.THydrogen-bonded Turntrans-110.1-13.7-170.6-65.9-42.3000113.7R741R741-D757 IonicContact CZ-OD1 2.64Å; R741-D757 IonicContact NE-OD1 3.98Å; R741-D757 PolarHBondContact NE-OD1 3.36Å; R741-D757 VanDerWaalsContact NE-OD1 3.11Å; R741-D757 IonicContact NH2-OD1 3.19Å; R741-D757 PolarHBondContact NH2-OD1 3.29Å
758S57.5Low81Confident49 Ų4938.8 Ų38.834%0.34324%0.243SC..  trans-91137.2-173.180.80000113.6E754E754-S758 WeakPolarHBondContact O-CB 3.37Å; E754-S758 PolarHBondContact O-OG 3.48Å
759G51.6Low81.2Confident94 Ų9439 Ų3997%0.96924%0.243SC*.  trans-86.118.5158.900000112.2
760A53.3Low81.3Confident53 Ų5339.2 Ų39.244%0.43825%0.245SC..SBendtrans-79.9151.818000000110.4I762A760-I762 PolarHBondContact O-N 2.94Å
761P59.8Low81.5Confident112 Ų11236.7 Ų36.773%0.72724%0.235SC*.PPolyproline II helixtrans-60.8132.6173.524.5-31.5000110E763P761-E763 PolarHBondContact O-N 2.97Å
762I71.3Confident81.7Confident53 Ų5336.4 Ų36.427%0.27223%0.234SC..PPolyproline II helixtrans-74.2125.7-179.5-55.8173.4000107.9V703 L736 A760 A766V703-I762 HydrophobicContact CG1-CG2 3.91Å; L736-I762 HydrophobicContact CB-CD1 3.31Å; L736-I762 HydrophobicContact CD1-CD1 3.57Å; L736-I762 HydrophobicContact CG-CD1 4.07Å; A760-I762 PolarHBondContact O-N 2.94Å; I762-A766 HydrophobicContact CG2-CB 3.56Å
763E79Confident81.8Confident118 Ų11836.3 Ų36.355%0.55123%0.233SC*.PPolyproline II helixtrans-95.3167.6178.7-60.7-170.8169.600111.1P761 T765 A766P761-E763 PolarHBondContact O-N 2.97Å; E763-T765 PolarHBondContact O-N 2.86Å; E763-A766 WeakPolarHBondContact O-CB 3.46Å; E763-A766 PolarHBondContact O-N 3.32Å; E763-A766 VanDerWaalsContact O-N 3.09Å
764S80.4Confident82Confident37 Ų3735.2 Ų35.226%0.25923%0.226SC..THydrogen-bonded Turntrans-60.9-17.7179.757.90000113.4A766 D767 Q768S764-A766 PolarHBondContact O-N 3.31Å; S764-D767 PolarHBondContact O-N 3.22Å; S764-D767 VanDerWaalsContact O-N 3.14Å; S764-Q768 PolarHBondContact O-N 2.81Å
765T87.9Confident82.3Confident17 Ų1732.9 Ų32.910%0.10422%0.215CC..Hα-helixtrans-61.4-25174.757.30000113.1E763 Q768 W769 P824 R827E763-T765 PolarHBondContact O-N 2.86Å; T765-Q768 PolarHBondContact O-N 2.62Å; T765-W769 PolarHBondContact O-N 3.06Å; T765-P824 HydrophobicContact CG2-CB 4.31Å; T765-P824 WeakPolarHBondContact CG2-O 3.21Å; T765-R827 WeakPolarHBondContact O-CD 3.5Å; T765-R827 PolarHBondContact O-NH1 3.49Å
766A90.7Very high82.4Confident2 Ų232.6 Ų32.62%0.01721%0.213CC..Hα-helixtrans-65.8-41.5175.200000111.5A752 I762 E763 S764 Q768 W769 S770A752-A766 HydrophobicContact CB-CB 4.03Å; I762-A766 HydrophobicContact CG2-CB 3.56Å; E763-A766 WeakPolarHBondContact O-CB 3.46Å; E763-A766 PolarHBondContact O-N 3.32Å; E763-A766 VanDerWaalsContact O-N 3.09Å; S764-A766 PolarHBondContact O-N 3.31Å; A766-Q768 VanDerWaalsContact C-N 3.32Å; A766-Q768 PolarHBondContact O-N 2.99Å; A766-W769 WeakPolarHBondContact O-CB 3.27Å; A766-W769 PolarHBondContact O-N 2.93Å; A766-S770 PolarHBondContact O-N 3.5Å; A766-S770 PolarHBondContact O-OG 3.07Å
767D93.3Very high82.7Confident3 Ų332.7 Ų32.72%0.01621%0.213CC..Hα-helixtrans-68-31.8178.6-72.5-25.3000112.3V703 H704 G705 V707 S764 W769 S770 F771 F830V703-D767 WeakPolarHBondContact CA-OD2 3.32Å; V703-D767 WeakPolarHBondContact CG1-OD2 3.47Å; H704-D767 PolarHBondContact N-OD2 3.08Å; G705-D767 WeakPolarHBondContact CA-OD1 3.46Å; G705-D767 PolarHBondContact N-OD1 3.11Å; V707-D767 HydrophobicContact CG2-CB 4.48Å; S764-D767 PolarHBondContact O-N 3.22Å; S764-D767 VanDerWaalsContact O-N 3.14Å; D767-W769 VanDerWaalsContact C-N 3.34Å; D767-S770 PolarHBondContact O-N 3.17Å; D767-F771 VanDerWaalsContact O-CB 3.23Å; D767-F771 WeakPolarHBondContact O-CB 3.49Å; D767-F771 PolarHBondContact O-N 2.86Å; D767-F830 HydrophobicContact CB-CE2 3.97Å; D767-F830 HydrophobicContact CB-CZ 4.02Å
768Q94.5Very high83.5Confident5 Ų526.9 Ų26.92%0.02318%0.182CC..Hα-helixtrans-63.3-40.5175-63.2162.5-5.300111.2E698 S764 T765 A766 G772 R827 P828 F830 I833E698-Q768 PolarHBondContact OE1-NE2 3.42Å; E698-Q768 VanDerWaalsContact OE1-NE2 3.13Å; S764-Q768 PolarHBondContact O-N 2.81Å; T765-Q768 PolarHBondContact O-N 2.62Å; A766-Q768 VanDerWaalsContact C-N 3.32Å; A766-Q768 PolarHBondContact O-N 2.99Å; Q768-G772 PolarHBondContact O-N 3.21Å; Q768-R827 HydrophobicContact CB-CB 4.24Å; Q768-P828 WeakPolarHBondContact CG-O 3.39Å; Q768-P828 PolarHBondContact NE2-O 3.4Å; Q768-P828 PolarHBondContact OE1-O 2.85Å; Q768-F830 HydrophobicContact CG-CD2 4.28Å; Q768-F830 HydrophobicContact CG-CE2 3.85Å; Q768-F830 HydrophobicContact CG-CZ 4.11Å; Q768-I833 HydrophobicContact CB-CD1 4.47Å; Q768-I833 HydrophobicContact CG-CD1 4.31Å
769W94.3Very high85.1Confident5 Ų526 Ų262%0.01917%0.172CC..Hα-helixtrans-64.7-51.9172.7175.7-79.5000111.2P749 I751 A752 P753 T765 A766 D767 F771 G772 V773 Y798 L820 Y822P749-W769 PolarHBondContact O-NE1 3.29Å; I751-W769 PolarHBondContact O-NE1 2.75Å; A752-W769 HydrophobicContact CB-CB 3.94Å; A752-W769 HydrophobicContact CB-CG 4Å; P753-W769 HydrophobicContact CG-CD2 4.45Å; P753-W769 HydrophobicContact CG-CE3 4.33Å; P753-W769 HydrophobicContact CG-CH2 3.65Å; P753-W769 HydrophobicContact CG-CZ2 3.79Å; P753-W769 HydrophobicContact CG-CZ3 3.93Å; T765-W769 PolarHBondContact O-N 3.06Å; A766-W769 WeakPolarHBondContact O-CB 3.27Å; A766-W769 PolarHBondContact O-N 2.93Å; D767-W769 VanDerWaalsContact C-N 3.34Å; W769-F771 PolarHBondContact O-N 3.32Å; W769-G772 PolarHBondContact O-N 2.95Å; W769-V773 PolarHBondContact O-N 3.25Å; W769-V773 VanDerWaalsContact O-N 3.09Å; W769-Y798 AromaticContact CZ2-CE1 3.99Å; W769-Y798 HydrophobicContact CZ2-CE1 3.99Å; W769-L820 HydrophobicContact CD2-CD2 4.12Å; W769-L820 HydrophobicContact CE3-CD2 4.42Å; W769-L820 HydrophobicContact CG-CD2 4.47Å; W769-L820 HydrophobicContact CZ3-CB 4.34Å; W769-L820 VanDerWaalsContact CZ3-O 3.22Å; W769-L820 WeakPolarHBondContact CZ3-O 3.36Å; W769-Y822 HydrophobicContact CH2-CD1 4.38Å; W769-Y822 HydrophobicContact CH2-CD2 4.18Å; W769-Y822 HydrophobicContact CH2-CE1 4.16Å; W769-Y822 AromaticContact CH2-CE2 3.96Å; W769-Y822 HydrophobicContact CH2-CE2 3.96Å; W769-Y822 HydrophobicContact CH2-CG 4.38Å; W769-Y822 AromaticContact CH2-CZ 3.93Å; W769-Y822 HydrophobicContact CZ3-CD2 4.29Å; W769-Y822 HydrophobicContact CZ3-CG 4.34Å
770S94.2Very high86.8Confident5 Ų523.9 Ų23.94%0.03514%0.139CC..Hα-helixtrans-59-36.8-179.7-58.60000112.3V707 W750 A766 D767 V773 T774V707-S770 WeakPolarHBondContact O-CB 3.27Å; W750-S770 WeakPolarHBondContact O-CA 3.5Å; W750-S770 WeakPolarHBondContact O-CB 3.38Å; W750-S770 PolarHBondContact O-OG 3.19Å; A766-S770 PolarHBondContact O-N 3.5Å; A766-S770 PolarHBondContact O-OG 3.07Å; D767-S770 PolarHBondContact O-N 3.17Å; S770-V773 PolarHBondContact O-N 3.12Å; S770-T774 WeakPolarHBondContact O-CB 3.48Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 PolarHBondContact O-OG1 2.89Å
771F96.1Very high88.4Confident0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-60.6-48.2172.1177-99.9000111.8L690 A691 L694 D767 W769 V773 T774 L775 F815 F830 I833L690-F771 HydrophobicContact CB-CE2 4.27Å; L690-F771 HydrophobicContact CD2-CD2 3.83Å; L690-F771 HydrophobicContact CD2-CE2 3.99Å; L690-F771 HydrophobicContact CG-CD2 3.98Å; L690-F771 HydrophobicContact CG-CE2 4.01Å; A691-F771 HydrophobicContact CB-CE2 3.91Å; A691-F771 HydrophobicContact CB-CZ 3.86Å; L694-F771 HydrophobicContact CD1-CB 4.1Å; L694-F771 HydrophobicContact CD1-CD2 3.69Å; L694-F771 HydrophobicContact CD1-CG 4.24Å; D767-F771 VanDerWaalsContact O-CB 3.23Å; D767-F771 WeakPolarHBondContact O-CB 3.49Å; D767-F771 PolarHBondContact O-N 2.86Å; W769-F771 PolarHBondContact O-N 3.32Å; F771-V773 VanDerWaalsContact C-N 3.3Å; F771-V773 PolarHBondContact O-N 3.43Å; F771-T774 CarbonylContact O-C 3.52Å; F771-T774 WeakPolarHBondContact O-CB 3.42Å; F771-T774 PolarHBondContact O-N 3.32Å; F771-T774 VanDerWaalsContact O-N 3.1Å; F771-L775 HydrophobicContact CD1-CD1 4.04Å; F771-L775 HydrophobicContact CD1-CG 4.31Å; F771-L775 HydrophobicContact CE1-CD1 3.44Å; F771-L775 VanDerWaalsContact CE1-CD1 3.44Å; F771-L775 HydrophobicContact CE1-CD2 4.28Å; F771-L775 HydrophobicContact CE1-CG 3.9Å; F771-L775 HydrophobicContact CE2-CD2 4.26Å; F771-L775 HydrophobicContact CE2-CG 4.46Å; F771-L775 HydrophobicContact CZ-CD1 3.87Å; F771-L775 HydrophobicContact CZ-CD2 3.87Å; F771-L775 HydrophobicContact CZ-CG 3.98Å; F771-L775 WeakPolarHBondContact O-CG 3.14Å; F771-L775 PolarHBondContact O-N 3.18Å; F771-F815 HydrophobicContact CE1-CE1 4.49Å; F771-F815 HydrophobicContact CE1-CZ 4.39Å; F771-F830 HydrophobicContact CB-CE1 4.02Å; F771-F830 HydrophobicContact CB-CZ 4.25Å; F771-F830 HydrophobicContact CD1-CE1 4.39Å; F771-F830 HydrophobicContact CD2-CE1 4.29Å; F771-F830 AromaticContact CG-CE1 3.98Å; F771-F830 HydrophobicContact CG-CE1 3.98Å; F771-I833 HydrophobicContact CD1-CD1 4.19Å; F771-I833 HydrophobicContact CD1-CG2 4Å; F771-I833 HydrophobicContact CE1-CG2 3.33Å; F771-I833 HydrophobicContact CZ-CG2 3.85Å
772G94Very high89.6Confident0 Ų018.2 Ų18.20%010%0.096CC..Hα-helixtrans-57.6-40.3176.900000113.3Q768 W769 L775 L776Q768-G772 PolarHBondContact O-N 3.21Å; W769-G772 PolarHBondContact O-N 2.95Å; G772-L775 PolarHBondContact O-N 3.36Å; G772-L776 PolarHBondContact O-N 3.14Å
773V93.8Very high90Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-69.1-40.5175.2-179.70000111.4P749 W750 W769 S770 F771 L775 L776 E777 L784 L804 L820P749-V773 HydrophobicContact CB-CG1 4.44Å; P749-V773 HydrophobicContact CG-CG1 3.84Å; P749-V773 WeakPolarHBondContact O-CG2 3.3Å; W750-V773 HydrophobicContact CB-CG1 4.49Å; W750-V773 HydrophobicContact CD2-CG1 4.28Å; W750-V773 HydrophobicContact CG-CB 4.48Å; W750-V773 HydrophobicContact CG-CG1 3.86Å; W769-V773 PolarHBondContact O-N 3.25Å; W769-V773 VanDerWaalsContact O-N 3.09Å; S770-V773 PolarHBondContact O-N 3.12Å; F771-V773 VanDerWaalsContact C-N 3.3Å; F771-V773 PolarHBondContact O-N 3.43Å; V773-L775 VanDerWaalsContact C-N 3.26Å; V773-L775 PolarHBondContact O-N 2.74Å; V773-L776 WeakPolarHBondContact O-CB 3.4Å; V773-L776 PolarHBondContact O-N 2.99Å; V773-L776 VanDerWaalsContact O-N 3.1Å; V773-E777 PolarHBondContact O-N 2.91Å; V773-L784 HydrophobicContact CG1-CD1 4.42Å; V773-L784 HydrophobicContact CG1-CD2 3.97Å; V773-L804 HydrophobicContact CG2-CD1 4.13Å; V773-L820 HydrophobicContact CG2-CD2 3.43Å; V773-L820 VanDerWaalsContact CG2-CD2 3.43Å
774T94.5Very high90Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-63.4-33.7176.5-54.80000111.3L690 V707 C708 A709 S770 F771 E777 I778L690-T774 HydrophobicContact CD2-CG2 3.89Å; V707-T774 PolarHBondContact O-OG1 3.47Å; C708-T774 WeakPolarHBondContact CA-OG1 3.31Å; A709-T774 HydrophobicContact CB-CG2 4.44Å; S770-T774 WeakPolarHBondContact O-CB 3.48Å; S770-T774 PolarHBondContact O-N 2.83Å; S770-T774 PolarHBondContact O-OG1 2.89Å; F771-T774 CarbonylContact O-C 3.52Å; F771-T774 WeakPolarHBondContact O-CB 3.42Å; F771-T774 PolarHBondContact O-N 3.32Å; F771-T774 VanDerWaalsContact O-N 3.1Å; T774-E777 VanDerWaalsContact O-CB 3.3Å; T774-E777 WeakPolarHBondContact O-CB 3.43Å; T774-E777 PolarHBondContact O-N 2.94Å; T774-I778 HydrophobicContact CG2-CD1 4.12Å; T774-I778 VanDerWaalsContact O-CG1 3.27Å; T774-I778 WeakPolarHBondContact O-CG1 3.14Å; T774-I778 PolarHBondContact O-N 3.45Å
775L93.2Very high89.2Confident1 Ų117.1 Ų17.11%0.00510%0.096CC..Hα-helixtrans-63.4-44.4170.8-68.8-178.9000111.8S687 F771 G772 V773 E777 I778 F779 F815 I816S687-L775 WeakPolarHBondContact OG-CD2 3.48Å; F771-L775 HydrophobicContact CD1-CD1 4.04Å; F771-L775 HydrophobicContact CD1-CG 4.31Å; F771-L775 HydrophobicContact CE1-CD1 3.44Å; F771-L775 VanDerWaalsContact CE1-CD1 3.44Å; F771-L775 HydrophobicContact CE1-CD2 4.28Å; F771-L775 HydrophobicContact CE1-CG 3.9Å; F771-L775 HydrophobicContact CE2-CD2 4.26Å; F771-L775 HydrophobicContact CE2-CG 4.46Å; F771-L775 HydrophobicContact CZ-CD1 3.87Å; F771-L775 HydrophobicContact CZ-CD2 3.87Å; F771-L775 HydrophobicContact CZ-CG 3.98Å; F771-L775 WeakPolarHBondContact O-CG 3.14Å; F771-L775 PolarHBondContact O-N 3.18Å; G772-L775 PolarHBondContact O-N 3.36Å; V773-L775 VanDerWaalsContact C-N 3.26Å; V773-L775 PolarHBondContact O-N 2.74Å; L775-E777 PolarHBondContact O-N 2.74Å; L775-I778 PolarHBondContact O-N 2.96Å; L775-F779 HydrophobicContact CD2-CE2 4.38Å; L775-F779 WeakPolarHBondContact O-CB 3.26Å; L775-F779 VanDerWaalsContact O-CD2 3.29Å; L775-F779 WeakPolarHBondContact O-CD2 3.26Å; L775-F779 PolarHBondContact O-N 3.12Å; L775-F815 HydrophobicContact CD1-CD1 4.07Å; L775-F815 HydrophobicContact CD1-CE1 3.47Å; L775-F815 VanDerWaalsContact CD1-CE1 3.47Å; L775-F815 HydrophobicContact CD1-CZ 4.43Å; L775-I816 HydrophobicContact CB-CD1 3.91Å; L775-I816 HydrophobicContact CB-CG1 4.06Å; L775-I816 HydrophobicContact CD1-CG1 4.07Å
776L91.5Very high88.5Confident2 Ų216.9 Ų16.91%0.019%0.094CC..Hα-helixtrans-58.3-40.2173.7-69.3174.4000111.3G772 V773 N780 L784 L804 I816 L820G772-L776 PolarHBondContact O-N 3.14Å; V773-L776 WeakPolarHBondContact O-CB 3.4Å; V773-L776 PolarHBondContact O-N 2.99Å; V773-L776 VanDerWaalsContact O-N 3.1Å; L776-N780 WeakPolarHBondContact O-CB 3.41Å; L776-N780 VanDerWaalsContact O-CG 3.29Å; L776-N780 PolarHBondContact O-N 2.98Å; L776-N780 PolarHBondContact O-ND2 2.99Å; L776-N780 VanDerWaalsContact O-ND2 3.14Å; L776-L784 HydrophobicContact CB-CD1 4.26Å; L776-L804 HydrophobicContact CD1-CB 3.69Å; L776-L804 HydrophobicContact CD1-CD1 3.6Å; L776-L804 HydrophobicContact CD1-CG 4.29Å; L776-I816 HydrophobicContact CD1-CG2 4.14Å; L776-I816 HydrophobicContact CD2-CD1 3.71Å; L776-I816 HydrophobicContact CD2-CG2 3.93Å; L776-I816 HydrophobicContact CG-CD1 4.13Å; L776-I816 HydrophobicContact CG-CG2 3.78Å; L776-L820 HydrophobicContact CD1-CD1 3.71Å
777E91.9Very high87.5Confident9 Ų920.3 Ų20.34%0.04212%0.117CC..Hα-helixtrans-60.1-48.7174.9-165174.3-167.400111.6A709 W750 V773 T774 L775 N781 A782 L784A709-E777 HydrophobicContact CB-CG 3.87Å; A709-E777 WeakPolarHBondContact CB-OE2 3.38Å; A709-E777 PolarHBondContact N-OE2 3.29Å; W750-E777 PolarHBondContact NE1-OE2 3.14Å; V773-E777 PolarHBondContact O-N 2.91Å; T774-E777 VanDerWaalsContact O-CB 3.3Å; T774-E777 WeakPolarHBondContact O-CB 3.43Å; T774-E777 PolarHBondContact O-N 2.94Å; L775-E777 PolarHBondContact O-N 2.74Å; E777-N781 PolarHBondContact O-N 2.81Å; E777-A782 HydrophobicContact CG-CB 4.22Å; E777-A782 WeakPolarHBondContact O-CA 3.5Å; E777-A782 PolarHBondContact O-N 2.81Å; E777-L784 HydrophobicContact CB-CD1 3.77Å; E777-L784 HydrophobicContact CG-CD1 4.28Å
778I91.7Very high86.8Confident0 Ų028 Ų280%016%0.159CC..Hα-helixtrans-62.3-49.4179-68.6164.8000111.3L667 L671 K683 V686 T774 L775 N780 N781L667-I778 HydrophobicContact CD2-CD1 4.05Å; L667-I778 HydrophobicContact CD2-CG1 3.9Å; L671-I778 HydrophobicContact CD1-CG1 4.34Å; K683-I778 HydrophobicContact CB-CG2 3.71Å; K683-I778 HydrophobicContact CD-CG2 4.32Å; K683-I778 WeakPolarHBondContact CE-O 3.48Å; K683-I778 HydrophobicContact CG-CG2 3.78Å; V686-I778 HydrophobicContact CG1-CD1 4.17Å; T774-I778 HydrophobicContact CG2-CD1 4.12Å; T774-I778 VanDerWaalsContact O-CG1 3.27Å; T774-I778 WeakPolarHBondContact O-CG1 3.14Å; T774-I778 PolarHBondContact O-N 3.45Å; L775-I778 PolarHBondContact O-N 2.96Å; I778-N780 VanDerWaalsContact C-N 3.32Å; I778-N780 PolarHBondContact O-N 2.9Å; I778-N781 PolarHBondContact O-N 2.87Å
779F90.1Very high86.4Confident30 Ų3029.9 Ų29.913%0.13217%0.172CC..Hα-helixtrans-72.1-26.5-175-79.5-86000112.9K683 F684 L775 L812K683-F779 HydrophobicContact CB-CD1 4.4Å; K683-F779 HydrophobicContact CB-CE1 3.97Å; K683-F779 HydrophobicContact CB-CE2 4.44Å; K683-F779 HydrophobicContact CB-CZ 4Å; K683-F779 HydrophobicContact CD-CD1 3.99Å; K683-F779 HydrophobicContact CD-CE1 4.31Å; K683-F779 HydrophobicContact CD-CG 4.44Å; K683-F779 PolarHBondContact NZ-O 2.88Å; F684-F779 AromaticContact CD1-CZ 3.98Å; F684-F779 HydrophobicContact CD1-CZ 3.98Å; F684-F779 HydrophobicContact CD2-CE1 4.24Å; F684-F779 HydrophobicContact CD2-CZ 4.08Å; F684-F779 HydrophobicContact CE1-CE1 4.48Å; F684-F779 AromaticContact CE1-CZ 3.82Å; F684-F779 HydrophobicContact CE1-CZ 3.82Å; F684-F779 AromaticContact CE2-CE1 3.85Å; F684-F779 HydrophobicContact CE2-CE1 3.85Å; F684-F779 AromaticContact CE2-CZ 3.92Å; F684-F779 HydrophobicContact CE2-CZ 3.92Å; F684-F779 HydrophobicContact CG-CZ 4.1Å; F684-F779 AromaticContact CZ-CE1 3.98Å; F684-F779 HydrophobicContact CZ-CE1 3.98Å; F684-F779 AromaticContact CZ-CZ 3.78Å; F684-F779 HydrophobicContact CZ-CZ 3.78Å; L775-F779 HydrophobicContact CD2-CE2 4.38Å; L775-F779 WeakPolarHBondContact O-CB 3.26Å; L775-F779 VanDerWaalsContact O-CD2 3.29Å; L775-F779 WeakPolarHBondContact O-CD2 3.26Å; L775-F779 PolarHBondContact O-N 3.12Å; F779-L812 HydrophobicContact CB-CD2 4.27Å; F779-L812 HydrophobicContact CD1-CD2 3.46Å; F779-L812 VanDerWaalsContact CD1-CD2 3.46Å; F779-L812 HydrophobicContact CD2-CD1 4.47Å; F779-L812 HydrophobicContact CD2-CD2 3.91Å; F779-L812 HydrophobicContact CE1-CD2 3.66Å; F779-L812 HydrophobicContact CE2-CD1 4.11Å; F779-L812 HydrophobicContact CE2-CD2 4.1Å; F779-L812 HydrophobicContact CG-CD2 3.6Å; F779-L812 HydrophobicContact CZ-CD1 4.23Å; F779-L812 HydrophobicContact CZ-CD2 3.97Å
780N88.3Confident86.1Confident50 Ų5033.3 Ų33.327%0.26719%0.193SC..THydrogen-bonded Turntrans-94.919.2174.5-62.5-33.5000114.3L776 I778 A782 N783L776-N780 WeakPolarHBondContact O-CB 3.41Å; L776-N780 VanDerWaalsContact O-CG 3.29Å; L776-N780 PolarHBondContact O-N 2.98Å; L776-N780 PolarHBondContact O-ND2 2.99Å; L776-N780 VanDerWaalsContact O-ND2 3.14Å; I778-N780 VanDerWaalsContact C-N 3.32Å; I778-N780 PolarHBondContact O-N 2.9Å; N780-A782 VanDerWaalsContact C-N 3.31Å; N780-A782 PolarHBondContact O-N 3.25Å; N780-N783 WeakPolarHBondContact CB-O 3.46Å; N780-N783 WeakPolarHBondContact O-CB 3.17Å; N780-N783 PolarHBondContact O-N 3.06Å
781N86.7Confident85.9Confident36 Ų3636 Ų3619%0.19321%0.207CC..THydrogen-bonded Turntrans54.944178.3-58.9-29.8000113.2Q675 K683 E777 I778 N783Q675-N781 HydrophobicContact CB-CB 4.39Å; K683-N781 VanDerWaalsContact CE-OD1 3.24Å; K683-N781 WeakPolarHBondContact CE-OD1 3.4Å; K683-N781 PolarHBondContact NZ-OD1 3.02Å; E777-N781 PolarHBondContact O-N 2.81Å; I778-N781 PolarHBondContact O-N 2.87Å; N781-N783 PolarHBondContact O-N 3.44Å
782A84.3Confident85.6Confident9 Ų940.2 Ų40.27%0.07424%0.235CC..THydrogen-bonded Turntrans62.117.5-175.900000116.1D668 L671 R672 E777 N780D668-A782 HydrophobicContact CB-CB 3.96Å; D668-A782 WeakPolarHBondContact O-CB 3.45Å; L671-A782 HydrophobicContact CB-CB 4.21Å; L671-A782 HydrophobicContact CD1-CB 4.3Å; R672-A782 HydrophobicContact CG-CB 4.02Å; E777-A782 HydrophobicContact CG-CB 4.22Å; E777-A782 WeakPolarHBondContact O-CA 3.5Å; E777-A782 PolarHBondContact O-N 2.81Å; N780-A782 VanDerWaalsContact C-N 3.31Å; N780-A782 PolarHBondContact O-N 3.25Å
783N80.8Confident85.4Confident100 Ų10045.2 Ų45.254%0.53526%0.258SS..  trans-93.5104.2169.6-64.8-45.2000110N780 N781N780-N783 WeakPolarHBondContact CB-O 3.46Å; N780-N783 WeakPolarHBondContact O-CB 3.17Å; N780-N783 PolarHBondContact O-N 3.06Å; N781-N783 PolarHBondContact O-N 3.44Å
784L79Confident85.2Confident13 Ų1345.9 Ų45.97%0.06826%0.261CS..  trans-100.7134.1178.5-139.585.8000111.1P749 W750 V773 L776 E777 M786 S787P749-L784 VanDerWaalsContact CD-CD2 3.46Å; P749-L784 HydrophobicContact CG-CD2 3.23Å; P749-L784 HydrophobicContact CG-CG 4.47Å; W750-L784 HydrophobicContact CH2-CD2 4.12Å; W750-L784 HydrophobicContact CZ2-CD2 3.96Å; V773-L784 HydrophobicContact CG1-CD1 4.42Å; V773-L784 HydrophobicContact CG1-CD2 3.97Å; L776-L784 HydrophobicContact CB-CD1 4.26Å; E777-L784 HydrophobicContact CB-CD1 3.77Å; E777-L784 HydrophobicContact CG-CD1 4.28Å; L784-M786 PolarHBondContact O-N 3.21Å; L784-S787 PolarHBondContact O-N 2.91Å; L784-S787 PolarHBondContact O-OG 3.2Å
785P63Low85Confident73 Ų7348 Ų4847%0.47427%0.271SS..THydrogen-bonded Turntrans-65.28.3-174.8-21.431.2000117.5A805P785-A805 HydrophobicContact CG-CB 3.78Å
786M72.5Confident84.8Confident12 Ų1256.3 Ų56.36%0.05930%0.302CS..THydrogen-bonded Turntrans-133.94.1-174.2-71.9-175.452.400114.4I748 P749 L784 N788 C789 K794 F797 L804I748-M786 HydrophobicContact CG2-CE 3.45Å; I748-M786 VanDerWaalsContact CG2-CE 3.45Å; P749-M786 HydrophobicContact CB-SD 4.21Å; P749-M786 HydrophobicContact CG-SD 4.42Å; L784-M786 PolarHBondContact O-N 3.21Å; M786-N788 PolarHBondContact O-N 3.43Å; M786-N788 VanDerWaalsContact O-N 3.16Å; M786-C789 PolarHBondContact O-N 2.91Å; M786-K794 HydrophobicContact CE-CB 4.37Å; M786-K794 HydrophobicContact CE-CG 4Å; M786-F797 HydrophobicContact CE-CB 4.16Å; M786-F797 HydrophobicContact CE-CD1 3.76Å; M786-F797 HydrophobicContact CE-CE1 4.34Å; M786-F797 HydrophobicContact CE-CG 3.95Å; M786-F797 HydrophobicContact SD-CD1 3.7Å; M786-F797 HydrophobicContact SD-CD2 4.13Å; M786-F797 HydrophobicContact SD-CE1 3.72Å; M786-F797 HydrophobicContact SD-CE2 4.11Å; M786-F797 HydrophobicContact SD-CG 3.93Å; M786-F797 HydrophobicContact SD-CZ 3.93Å; M786-L804 HydrophobicContact CG-CD2 4.14Å; M786-L804 HydrophobicContact SD-CD2 3.47Å; M786-L804 WeakPolarHBondContact SD-CD2 3.46Å
787S70.3Confident84.8Confident73 Ų7358.1 Ų58.151%0.5131%0.31SS..THydrogen-bonded Turntrans-63.3-23.9-176.4-53.80000113.5L784L784-S787 PolarHBondContact O-N 2.91Å; L784-S787 PolarHBondContact O-OG 3.2Å
788N77.8Confident84.7Confident166 Ų16658.6 Ų58.689%0.88831%0.311SS*.THydrogen-bonded Turntrans-100.31.2-179-62.3-20.9000113.8M786M786-N788 PolarHBondContact O-N 3.43Å; M786-N788 VanDerWaalsContact O-N 3.16Å
789C85.8Confident84.6Confident44 Ų4465.3 Ų65.330%0.29734%0.343SS..  trans-77.5142.2-179.7-67.70000111.5M786 E793 K794M786-C789 PolarHBondContact O-N 2.91Å; C789-E793 HydrophobicContact CB-CB 4.13Å; C789-K794 HydrophobicContact CB-CG 3.99Å; C789-K794 WeakPolarHBondContact O-CE 3.45Å
790T89.4Confident84.6Confident77 Ų7768.3 Ų68.347%0.47236%0.363SS..  trans-69.3158.1172.162.20000111.3P792 E793 K794T790-P792 VanDerWaalsContact C-N 3.35Å; T790-E793 PolarHBondContact N-OE2 2.84Å; T790-E793 WeakPolarHBondContact O-CB 3.31Å; T790-E793 PolarHBondContact O-N 3.39Å; T790-E793 VanDerWaalsContact OG1-CG 3.28Å; T790-E793 WeakPolarHBondContact OG1-CG 3.43Å; T790-E793 PolarHBondContact OG1-OE2 3.02Å; T790-K794 PolarHBondContact O-N 2.79Å
791L88.7Confident84.6Confident60 Ų6071.4 Ų71.431%0.31438%0.375SS..Hα-helixtrans-53.4-43.3178.5-63174.1000113.4L745 D746 E793 K794 E795L745-L791 HydrophobicContact CB-CD2 4Å; D746-L791 HydrophobicContact CB-CD2 3.86Å; L791-E793 VanDerWaalsContact C-N 3.32Å; L791-E793 PolarHBondContact O-N 3.29Å; L791-K794 PolarHBondContact O-N 2.91Å; L791-E795 WeakPolarHBondContact O-CB 3.26Å; L791-E795 PolarHBondContact O-N 3.3Å
792P90.2Very high84.5Confident90 Ų9070.6 Ų70.658%0.58437%0.374SS*.Hα-helixtrans-64.5-33.1176.7-2335.4000113.7T790 R796T790-P792 VanDerWaalsContact C-N 3.35Å; P792-R796 VanDerWaalsContact O-CB 3.29Å; P792-R796 WeakPolarHBondContact O-CB 3.2Å; P792-R796 PolarHBondContact O-N 2.92Å
793E90.3Very high84.6Confident105 Ų10580.9 Ų80.949%0.49141%0.411SS..Hα-helixtrans-70.3-42.6176-70.1167.214500111.3C789 T790 L791 E795 R796 F797C789-E793 HydrophobicContact CB-CB 4.13Å; T790-E793 PolarHBondContact N-OE2 2.84Å; T790-E793 WeakPolarHBondContact O-CB 3.31Å; T790-E793 PolarHBondContact O-N 3.39Å; T790-E793 VanDerWaalsContact OG1-CG 3.28Å; T790-E793 WeakPolarHBondContact OG1-CG 3.43Å; T790-E793 PolarHBondContact OG1-OE2 3.02Å; L791-E793 VanDerWaalsContact C-N 3.32Å; L791-E793 PolarHBondContact O-N 3.29Å; E793-E795 VanDerWaalsContact C-N 3.33Å; E793-E795 PolarHBondContact O-N 3.3Å; E793-R796 PolarHBondContact O-N 2.74Å; E793-F797 WeakPolarHBondContact O-CB 3.46Å; E793-F797 PolarHBondContact O-N 2.6Å
794K90.1Very high84.7Confident13 Ų1377 Ų776%0.05739%0.39CS..Hα-helixtrans-59.3-43.9173.2-72.3178.6174.2-174.20111.3D746 I748 M786 C789 T790 L791 F797 Y798D746-K794 PolarHBondContact O-NZ 2.93Å; D746-K794 IonicContact OD1-NZ 3.11Å; D746-K794 PolarHBondContact OD1-NZ 3.44Å; D746-K794 VanDerWaalsContact OD1-NZ 3.15Å; I748-K794 HydrophobicContact CB-CB 4.02Å; I748-K794 HydrophobicContact CB-CD 4.15Å; I748-K794 HydrophobicContact CB-CG 4.29Å; I748-K794 HydrophobicContact CD1-CB 4.06Å; I748-K794 HydrophobicContact CG2-CB 3.94Å; I748-K794 HydrophobicContact CG2-CG 4.22Å; M786-K794 HydrophobicContact CE-CB 4.37Å; M786-K794 HydrophobicContact CE-CG 4Å; C789-K794 HydrophobicContact CB-CG 3.99Å; C789-K794 WeakPolarHBondContact O-CE 3.45Å; T790-K794 PolarHBondContact O-N 2.79Å; L791-K794 PolarHBondContact O-N 2.91Å; K794-F797 WeakPolarHBondContact O-CB 3.29Å; K794-F797 PolarHBondContact O-N 3.08Å; K794-Y798 PolarHBondContact O-N 2.94Å
795E89.4Confident84.7Confident45 Ų4578.9 Ų78.921%0.2141%0.408CS..Hα-helixtrans-65.2-46.5177.1-175.7169.6-158.400111.9R741 L745 L791 E793 F797 Y798 Q799R741-E795 IonicContact CZ-OE1 3.44Å; R741-E795 VanDerWaalsContact CZ-OE1 3.26Å; R741-E795 IonicContact NH1-OE1 3.95Å; R741-E795 PolarHBondContact NH1-OE1 2.83Å; R741-E795 IonicContact NH1-OE2 2.66Å; R741-E795 IonicContact NH2-OE1 3.5Å; R741-E795 PolarHBondContact NH2-OE1 2.8Å; L745-E795 HydrophobicContact CD2-CB 3.97Å; L745-E795 HydrophobicContact CD2-CG 4.15Å; L791-E795 WeakPolarHBondContact O-CB 3.26Å; L791-E795 PolarHBondContact O-N 3.3Å; E793-E795 VanDerWaalsContact C-N 3.33Å; E793-E795 PolarHBondContact O-N 3.3Å; E795-F797 PolarHBondContact O-N 2.76Å; E795-Y798 PolarHBondContact O-N 2.8Å; E795-Y798 VanDerWaalsContact O-N 3.15Å; E795-Q799 HydrophobicContact CG-CG 4.41Å; E795-Q799 WeakPolarHBondContact O-CG 3.22Å; E795-Q799 PolarHBondContact O-N 3.05Å
796R90.1Very high85.2Confident175 Ų17580.1 Ų80.166%0.6641%0.411SS*.Hα-helixtrans-59.7-36.2176.3-172.7176.7-177.5178.31112P792 E793 Y798 Q799 T800P792-R796 VanDerWaalsContact O-CB 3.29Å; P792-R796 WeakPolarHBondContact O-CB 3.2Å; P792-R796 PolarHBondContact O-N 2.92Å; E793-R796 PolarHBondContact O-N 2.74Å; R796-Y798 PolarHBondContact O-N 3.48Å; R796-Q799 PolarHBondContact O-N 3.43Å; R796-T800 HydrophobicContact CG-CG2 4.23Å; R796-T800 WeakPolarHBondContact O-CB 3.21Å; R796-T800 WeakPolarHBondContact O-CG2 3.23Å; R796-T800 PolarHBondContact O-N 2.73Å; R796-T800 PolarHBondContact O-OG1 2.96Å
797F90.4Very high85.4Confident40 Ų4080.3 Ų80.318%0.17541%0.413CS..Hα-helixtrans-58.1-45.7175.6177-97.8000111.6M786 E793 K794 E795 T800 K801 G802 L804M786-F797 HydrophobicContact CE-CB 4.16Å; M786-F797 HydrophobicContact CE-CD1 3.76Å; M786-F797 HydrophobicContact CE-CE1 4.34Å; M786-F797 HydrophobicContact CE-CG 3.95Å; M786-F797 HydrophobicContact SD-CD1 3.7Å; M786-F797 HydrophobicContact SD-CD2 4.13Å; M786-F797 HydrophobicContact SD-CE1 3.72Å; M786-F797 HydrophobicContact SD-CE2 4.11Å; M786-F797 HydrophobicContact SD-CG 3.93Å; M786-F797 HydrophobicContact SD-CZ 3.93Å; E793-F797 WeakPolarHBondContact O-CB 3.46Å; E793-F797 PolarHBondContact O-N 2.6Å; K794-F797 WeakPolarHBondContact O-CB 3.29Å; K794-F797 PolarHBondContact O-N 3.08Å; E795-F797 PolarHBondContact O-N 2.76Å; F797-T800 PolarHBondContact O-OG1 3.17Å; F797-K801 PolarHBondContact O-N 3.29Å; F797-G802 VanDerWaalsContact CE2-C 3.41Å; F797-G802 VanDerWaalsContact CZ-O 3.25Å; F797-G802 WeakPolarHBondContact CZ-O 3.41Å; F797-G802 PolarHBondContact O-N 3.39Å; F797-L804 HydrophobicContact CE1-CD2 4.17Å; F797-L804 HydrophobicContact CE1-CG 4.45Å; F797-L804 HydrophobicContact CZ-CD2 3.8Å; F797-L804 HydrophobicContact CZ-CG 4.04Å
798Y90.9Very high85.5Confident20 Ų2083.5 Ų83.58%0.07844%0.435CS..Hα-helixtrans-71.5-40.8175-78.33.4000113.5I748 P749 I751 P753 I756 W769 K794 E795 R796 T800 K801 Y822I748-Y798 HydrophobicContact CB-CE2 4.47Å; I748-Y798 HydrophobicContact CD1-CD2 3.67Å; I748-Y798 HydrophobicContact CD1-CE2 3.71Å; I748-Y798 HydrophobicContact CD1-CG 4.23Å; I748-Y798 HydrophobicContact CG1-CD2 4.11Å; I748-Y798 HydrophobicContact CG1-CE2 3.59Å; I748-Y798 HydrophobicContact CG2-CD1 4.42Å; I748-Y798 HydrophobicContact CG2-CE1 3.86Å; I748-Y798 HydrophobicContact CG2-CE2 4.25Å; P749-Y798 VanDerWaalsContact C-OH 3.3Å; P749-Y798 VanDerWaalsContact CA-OH 3.29Å; P749-Y798 WeakPolarHBondContact CA-OH 3.27Å; P749-Y798 PolarHBondContact O-OH 2.87Å; I751-Y798 HydrophobicContact CG2-CE2 4.33Å; I751-Y798 PolarHBondContact O-OH 2.89Å; P753-Y798 HydrophobicContact CB-CD2 4.02Å; P753-Y798 HydrophobicContact CB-CE2 4.23Å; P753-Y798 HydrophobicContact CB-CG 4.44Å; P753-Y798 HydrophobicContact CG-CD2 4.2Å; P753-Y798 HydrophobicContact CG-CE1 4.43Å; P753-Y798 HydrophobicContact CG-CE2 4.05Å; P753-Y798 HydrophobicContact CG-CG 4.46Å; I756-Y798 HydrophobicContact CG1-CD2 4.07Å; I756-Y798 HydrophobicContact CG1-CE2 4.25Å; W769-Y798 AromaticContact CZ2-CE1 3.99Å; W769-Y798 HydrophobicContact CZ2-CE1 3.99Å; K794-Y798 PolarHBondContact O-N 2.94Å; E795-Y798 PolarHBondContact O-N 2.8Å; E795-Y798 VanDerWaalsContact O-N 3.15Å; R796-Y798 PolarHBondContact O-N 3.48Å; Y798-T800 PolarHBondContact O-N 2.82Å; Y798-K801 PolarHBondContact O-N 3.39Å; Y798-Y822 HydrophobicContact CD1-CE1 4.1Å; Y798-Y822 HydrophobicContact CG-CE1 4.41Å
799Q88.4Confident85.8Confident140 Ų14077.9 Ų77.965%0.65441%0.409SS*.Hα-helixtrans-59.6-33.4177.2-71.3176.4-3.400112.4E795 R796E795-Q799 HydrophobicContact CG-CG 4.41Å; E795-Q799 WeakPolarHBondContact O-CG 3.22Å; E795-Q799 PolarHBondContact O-N 3.05Å; R796-Q799 PolarHBondContact O-N 3.43Å
800T90.1Very high85.7Confident93 Ų9383.6 Ų83.657%0.57143%0.431SS*.THydrogen-bonded Turntrans-915.317856.40000113.7R796 F797 Y798 G802R796-T800 HydrophobicContact CG-CG2 4.23Å; R796-T800 WeakPolarHBondContact O-CB 3.21Å; R796-T800 WeakPolarHBondContact O-CG2 3.23Å; R796-T800 PolarHBondContact O-N 2.73Å; R796-T800 PolarHBondContact O-OG1 2.96Å; F797-T800 PolarHBondContact O-OG1 3.17Å; Y798-T800 PolarHBondContact O-N 2.82Å; T800-G802 VanDerWaalsContact C-N 3.26Å; T800-G802 PolarHBondContact O-N 3.26Å
801K88.7Confident85.4Confident116 Ų11684.8 Ų84.850%0.50443%0.432SS..THydrogen-bonded Turntrans48.846.2-173.6-63.3-168.1172.5-165.60112.6F797 Y798 Y822 E823F797-K801 PolarHBondContact O-N 3.29Å; Y798-K801 PolarHBondContact O-N 3.39Å; K801-Y822 HydrophobicContact CB-CD2 4.17Å; K801-Y822 HydrophobicContact CB-CE1 4.39Å; K801-Y822 HydrophobicContact CB-CE2 4.04Å; K801-Y822 HydrophobicContact CB-CG 4.4Å; K801-Y822 HydrophobicContact CD-CG 4.33Å; K801-Y822 HydrophobicContact CG-CD1 4.1Å; K801-Y822 HydrophobicContact CG-CD2 4.44Å; K801-Y822 HydrophobicContact CG-CE1 4.31Å; K801-Y822 HydrophobicContact CG-CG 4.17Å; K801-E823 IonicContact NZ-OE1 3.17Å; K801-E823 PolarHBondContact NZ-OE1 3.45Å
802G85.3Confident85.3Confident18 Ų1882.3 Ų82.319%0.18642%0.418CS..  trans-60.9153.7179.700000112.9F797 T800 Y822F797-G802 VanDerWaalsContact CE2-C 3.41Å; F797-G802 VanDerWaalsContact CZ-O 3.25Å; F797-G802 WeakPolarHBondContact CZ-O 3.41Å; F797-G802 PolarHBondContact O-N 3.39Å; T800-G802 VanDerWaalsContact C-N 3.26Å; T800-G802 PolarHBondContact O-N 3.26Å; G802-Y822 PolarHBondContact N-OH 2.91Å; G802-Y822 WeakPolarHBondContact O-CE2 3.37Å; G802-Y822 PolarHBondContact O-OH 2.93Å
803R85.7Confident85.1Confident225 Ų22578.4 Ų78.485%0.84939%0.394SS*.  trans-107.6136.9177.1-65.2-174.5-180-169.9-1.1110.3
804L82.8Confident85Confident18 Ų1879.8 Ų79.89%0.09440%0.395CS..PPolyproline II helixtrans-71.5157.2173.4-67.3174.2000110.3P749 V773 L776 M786 F797 N806 L820P749-L804 HydrophobicContact CB-CD1 4.04Å; P749-L804 HydrophobicContact CB-CD2 4.15Å; P749-L804 HydrophobicContact CG-CD1 4.14Å; P749-L804 HydrophobicContact CG-CD2 4.17Å; V773-L804 HydrophobicContact CG2-CD1 4.13Å; L776-L804 HydrophobicContact CD1-CB 3.69Å; L776-L804 HydrophobicContact CD1-CD1 3.6Å; L776-L804 HydrophobicContact CD1-CG 4.29Å; M786-L804 HydrophobicContact CG-CD2 4.14Å; M786-L804 HydrophobicContact SD-CD2 3.47Å; M786-L804 WeakPolarHBondContact SD-CD2 3.46Å; F797-L804 HydrophobicContact CE1-CD2 4.17Å; F797-L804 HydrophobicContact CE1-CG 4.45Å; F797-L804 HydrophobicContact CZ-CD2 3.8Å; F797-L804 HydrophobicContact CZ-CG 4.04Å; L804-N806 PolarHBondContact O-N 2.76Å; L804-L820 HydrophobicContact CD1-CD1 4.03Å
805A78.6Confident84.9Confident53 Ų5379.3 Ų79.344%0.43839%0.393SS..PPolyproline II helixtrans-63.3130.1177.400000110.5P785P785-A805 HydrophobicContact CG-CB 3.78Å
806N73.2Confident85Confident100 Ų10077.2 Ų77.254%0.53538%0.383SS..PPolyproline II helixtrans-76.4146.6-179.9-73-22.6000111.2L804 A813L804-N806 PolarHBondContact O-N 2.76Å; N806-A813 HydrophobicContact CB-CB 3.81Å
807P78.1Confident84.9Confident15 Ų1571.3 Ų71.310%0.09737%0.369CS..PPolyproline II helixtrans-66.5164.7169.831.5-36.4000111.1S809 L812 A813 I816P807-S809 VanDerWaalsContact C-N 3.28Å; P807-S809 PolarHBondContact O-N 3.21Å; P807-L812 HydrophobicContact CB-CD2 4.04Å; P807-L812 HydrophobicContact CG-CB 4.21Å; P807-L812 HydrophobicContact CG-CD2 3.93Å; P807-L812 HydrophobicContact CG-CG 3.9Å; P807-A813 HydrophobicContact CG-CB 4.01Å; P807-I816 HydrophobicContact CG-CD1 4.11Å
808S72.4Confident84.8Confident141 Ų14172.5 Ų72.599%0.98638%0.375SS*.SBendtrans-65.4-23.8-176.5-48.40000114.8
809S82.4Confident84.9Confident48 Ų4871.5 Ų71.534%0.33637%0.371SS..  trans-85.3127.4174.4158.20000110.4P807 E811 L812 A813P807-S809 VanDerWaalsContact C-N 3.28Å; P807-S809 PolarHBondContact O-N 3.21Å; S809-E811 PolarHBondContact OG-OE2 2.57Å; S809-L812 PolarHBondContact OG-N 2.72Å; S809-A813 VanDerWaalsContact O-CB 3.28Å; S809-A813 WeakPolarHBondContact O-CB 3.41Å; S809-A813 PolarHBondContact O-N 2.7Å
810E83.6Confident85.1Confident164 Ų16466.1 Ų66.177%0.76635%0.347SS*.Hα-helixtrans-66.6-39.5-180-172.9173.6179.600111.9A813 R814E810-A813 PolarHBondContact O-N 3.19Å; E810-R814 WeakPolarHBondContact O-CB 3.38Å; E810-R814 PolarHBondContact O-N 3.44Å
811E84.1Confident85.1Confident102 Ų10263.4 Ų63.448%0.47733%0.33SS..Hα-helixtrans-66.1-43.4179.2-57.277.7-168.900111.4S809 R814 F815 L840S809-E811 PolarHBondContact OG-OE2 2.57Å; E811-R814 PolarHBondContact O-N 3.37Å; E811-F815 PolarHBondContact O-N 3.36Å; E811-L840 HydrophobicContact CB-CD2 3.64Å
812L85.9Confident85.1Confident7 Ų759.6 Ų59.64%0.03731%0.313CS..Hα-helixtrans-66.5-41.8175.5-17763.6000111.2F684 F779 P807 S809 R814 F815 I816F684-L812 HydrophobicContact CE1-CD1 4.37Å; F779-L812 HydrophobicContact CB-CD2 4.27Å; F779-L812 HydrophobicContact CD1-CD2 3.46Å; F779-L812 VanDerWaalsContact CD1-CD2 3.46Å; F779-L812 HydrophobicContact CD2-CD1 4.47Å; F779-L812 HydrophobicContact CD2-CD2 3.91Å; F779-L812 HydrophobicContact CE1-CD2 3.66Å; F779-L812 HydrophobicContact CE2-CD1 4.11Å; F779-L812 HydrophobicContact CE2-CD2 4.1Å; F779-L812 HydrophobicContact CG-CD2 3.6Å; F779-L812 HydrophobicContact CZ-CD1 4.23Å; F779-L812 HydrophobicContact CZ-CD2 3.97Å; P807-L812 HydrophobicContact CB-CD2 4.04Å; P807-L812 HydrophobicContact CG-CB 4.21Å; P807-L812 HydrophobicContact CG-CD2 3.93Å; P807-L812 HydrophobicContact CG-CG 3.9Å; S809-L812 PolarHBondContact OG-N 2.72Å; L812-R814 VanDerWaalsContact C-N 3.33Å; L812-R814 PolarHBondContact O-N 3.08Å; L812-F815 HydrophobicContact CD1-CD1 4.32Å; L812-F815 PolarHBondContact O-N 2.68Å; L812-I816 HydrophobicContact CD1-CD1 4.18Å; L812-I816 HydrophobicContact CD1-CG1 4.33Å; L812-I816 HydrophobicContact CG-CD1 3.99Å; L812-I816 HydrophobicContact CG-CG1 4.48Å; L812-I816 WeakPolarHBondContact O-CB 3.41Å; L812-I816 WeakPolarHBondContact O-CG1 3.25Å; L812-I816 PolarHBondContact O-N 3.03Å
813A86.8Confident85.1Confident9 Ų963.2 Ų63.27%0.07433%0.325CS..Hα-helixtrans-60.8-42.4176.400000111.9N806 P807 S809 E810 S817N806-A813 HydrophobicContact CB-CB 3.81Å; P807-A813 HydrophobicContact CG-CB 4.01Å; S809-A813 VanDerWaalsContact O-CB 3.28Å; S809-A813 WeakPolarHBondContact O-CB 3.41Å; S809-A813 PolarHBondContact O-N 2.7Å; E810-A813 PolarHBondContact O-N 3.19Å; A813-S817 VanDerWaalsContact O-CB 3.28Å; A813-S817 WeakPolarHBondContact O-CB 3.46Å; A813-S817 PolarHBondContact O-N 3.45Å; A813-S817 PolarHBondContact O-OG 3.44Å
814R87.1Confident85.1Confident133 Ų13353.8 Ų53.850%0.50229%0.293SS..Hα-helixtrans-62.5-45.6175.1-174.9-173.759.573.22.5111.3E810 E811 L812 S817 M818E810-R814 WeakPolarHBondContact O-CB 3.38Å; E810-R814 PolarHBondContact O-N 3.44Å; E811-R814 PolarHBondContact O-N 3.37Å; L812-R814 VanDerWaalsContact C-N 3.33Å; L812-R814 PolarHBondContact O-N 3.08Å; R814-S817 WeakPolarHBondContact O-CB 3.43Å; R814-S817 PolarHBondContact O-N 2.84Å; R814-M818 WeakPolarHBondContact O-CG 3.43Å; R814-M818 PolarHBondContact O-N 3.16Å
815F89.4Confident85Confident4 Ų457.8 Ų57.82%0.01831%0.314CS..Hα-helixtrans-61.9-47.8178.1170.9-108.6000112.7F771 L775 E811 L812 S817 M818 I833 E836 L837 L840F771-F815 HydrophobicContact CE1-CE1 4.49Å; F771-F815 HydrophobicContact CE1-CZ 4.39Å; L775-F815 HydrophobicContact CD1-CD1 4.07Å; L775-F815 HydrophobicContact CD1-CE1 3.47Å; L775-F815 VanDerWaalsContact CD1-CE1 3.47Å; L775-F815 HydrophobicContact CD1-CZ 4.43Å; E811-F815 PolarHBondContact O-N 3.36Å; L812-F815 HydrophobicContact CD1-CD1 4.32Å; L812-F815 PolarHBondContact O-N 2.68Å; F815-S817 VanDerWaalsContact C-N 3.29Å; F815-S817 PolarHBondContact O-N 2.95Å; F815-M818 WeakPolarHBondContact O-CB 3.4Å; F815-M818 PolarHBondContact O-N 3.44Å; F815-I833 HydrophobicContact CE2-CG2 4.4Å; F815-I833 HydrophobicContact CZ-CG2 3.87Å; F815-E836 HydrophobicContact CD2-CB 3.83Å; F815-E836 HydrophobicContact CE2-CB 3.74Å; F815-L837 HydrophobicContact CE1-CD1 4.03Å; F815-L837 HydrophobicContact CZ-CB 4.05Å; F815-L837 HydrophobicContact CZ-CD1 4.32Å; F815-L840 HydrophobicContact CB-CD1 3.79Å; F815-L840 HydrophobicContact CD1-CD1 3.99Å; F815-L840 HydrophobicContact CD2-CD1 4.36Å; F815-L840 HydrophobicContact CG-CD1 3.8Å
816I90.3Very high85.2Confident1 Ų159.6 Ų59.61%0.00531%0.314CS..Hα-helixtrans-61.8-40.7176.1-69176.7000110.6L775 L776 P807 L812 M818 C819 L820L775-I816 HydrophobicContact CB-CD1 3.91Å; L775-I816 HydrophobicContact CB-CG1 4.06Å; L775-I816 HydrophobicContact CD1-CG1 4.07Å; L776-I816 HydrophobicContact CD1-CG2 4.14Å; L776-I816 HydrophobicContact CD2-CD1 3.71Å; L776-I816 HydrophobicContact CD2-CG2 3.93Å; L776-I816 HydrophobicContact CG-CD1 4.13Å; L776-I816 HydrophobicContact CG-CG2 3.78Å; P807-I816 HydrophobicContact CG-CD1 4.11Å; L812-I816 HydrophobicContact CD1-CD1 4.18Å; L812-I816 HydrophobicContact CD1-CG1 4.33Å; L812-I816 HydrophobicContact CG-CD1 3.99Å; L812-I816 HydrophobicContact CG-CG1 4.48Å; L812-I816 WeakPolarHBondContact O-CB 3.41Å; L812-I816 WeakPolarHBondContact O-CG1 3.25Å; L812-I816 PolarHBondContact O-N 3.03Å; I816-M818 PolarHBondContact O-N 2.94Å; I816-C819 WeakPolarHBondContact O-CB 2.95Å; I816-C819 PolarHBondContact O-N 3.06Å; I816-L820 HydrophobicContact CG2-CD1 3.6Å; I816-L820 HydrophobicContact CG2-CG 4.02Å; I816-L820 WeakPolarHBondContact O-CG 3.39Å; I816-L820 PolarHBondContact O-N 3.28Å
817S88.9Confident85.9Confident51 Ų5155.5 Ų55.536%0.35729%0.291SS..Hα-helixtrans-60.2-32.3178.3-64.30000113A813 R814 F815 C819 L820 T821A813-S817 VanDerWaalsContact O-CB 3.28Å; A813-S817 WeakPolarHBondContact O-CB 3.46Å; A813-S817 PolarHBondContact O-N 3.45Å; A813-S817 PolarHBondContact O-OG 3.44Å; R814-S817 WeakPolarHBondContact O-CB 3.43Å; R814-S817 PolarHBondContact O-N 2.84Å; F815-S817 VanDerWaalsContact C-N 3.29Å; F815-S817 PolarHBondContact O-N 2.95Å; S817-C819 VanDerWaalsContact C-N 3.33Å; S817-L820 CarbonylContact O-C 3.55Å; S817-L820 PolarHBondContact O-N 3.02Å; S817-T821 PolarHBondContact O-OG1 3.29Å
818M88.8Confident86.3Confident64 Ų6455.4 Ų55.432%0.31529%0.29SS..Hα-helixtrans-62.2-42.1174.1-65.9172.860.600111.3R814 F815 I816 T821 P828R814-M818 WeakPolarHBondContact O-CG 3.43Å; R814-M818 PolarHBondContact O-N 3.16Å; F815-M818 WeakPolarHBondContact O-CB 3.4Å; F815-M818 PolarHBondContact O-N 3.44Å; I816-M818 PolarHBondContact O-N 2.94Å; M818-T821 PolarHBondContact O-OG1 3.46Å; M818-P828 HydrophobicContact CB-CG 4.24Å; M818-P828 HydrophobicContact CE-CB 4.49Å; M818-P828 WeakPolarHBondContact O-CD 3.21Å
819C92Very high87Confident0 Ų050.6 Ų50.60%026%0.255CS..Hα-helixtrans-69.8-35.6177.8-600000112.1I816 S817 T821 R827I816-C819 WeakPolarHBondContact O-CB 2.95Å; I816-C819 PolarHBondContact O-N 3.06Å; S817-C819 VanDerWaalsContact C-N 3.33Å; C819-T821 PolarHBondContact O-N 3.43Å; C819-R827 WeakPolarHBondContact O-CD 3.27Å
820L92.4Very high87.3Confident27 Ų2748.4 Ų48.414%0.14124%0.239CC..THydrogen-bonded Turntrans-8730-179.5-58.4-177.2000113.8W769 V773 L776 L804 I816 S817W769-L820 HydrophobicContact CD2-CD2 4.12Å; W769-L820 HydrophobicContact CE3-CD2 4.42Å; W769-L820 HydrophobicContact CG-CD2 4.47Å; W769-L820 HydrophobicContact CZ3-CB 4.34Å; W769-L820 VanDerWaalsContact CZ3-O 3.22Å; W769-L820 WeakPolarHBondContact CZ3-O 3.36Å; V773-L820 HydrophobicContact CG2-CD2 3.43Å; V773-L820 VanDerWaalsContact CG2-CD2 3.43Å; L776-L820 HydrophobicContact CD1-CD1 3.71Å; L804-L820 HydrophobicContact CD1-CD1 4.03Å; I816-L820 HydrophobicContact CG2-CD1 3.6Å; I816-L820 HydrophobicContact CG2-CG 4.02Å; I816-L820 WeakPolarHBondContact O-CG 3.39Å; I816-L820 PolarHBondContact O-N 3.28Å; S817-L820 CarbonylContact O-C 3.55Å; S817-L820 PolarHBondContact O-N 3.02Å
821T90.8Very high87.2Confident35 Ų3540.9 Ų40.922%0.21520%0.204CC..  trans-78.2126.7174.4-56.40000109.9S817 M818 C819 E823 E826 R827S817-T821 PolarHBondContact O-OG1 3.29Å; M818-T821 PolarHBondContact O-OG1 3.46Å; C819-T821 PolarHBondContact O-N 3.43Å; T821-E823 VanDerWaalsContact C-N 3.26Å; T821-E823 HydrophobicContact CG2-CB 4.43Å; T821-E823 PolarHBondContact O-N 3.43Å; T821-E826 HydrophobicContact CG2-CB 3.8Å; T821-R827 PolarHBondContact O-NE 3.37Å; T821-R827 PolarHBondContact O-NH2 3.29Å
822Y88.6Confident87.3Confident36 Ų3636.7 Ų36.714%0.14119%0.186CC..SBendtrans-63-32.3-177.1-84.7-95.8000112.9P753 W769 Y798 K801 G802 P824 R827P753-Y822 HydrophobicContact CB-CD1 3.89Å; P753-Y822 HydrophobicContact CB-CE1 4.1Å; P753-Y822 HydrophobicContact CG-CD1 3.53Å; P753-Y822 HydrophobicContact CG-CE1 3.62Å; P753-Y822 HydrophobicContact CG-CG 4.43Å; W769-Y822 HydrophobicContact CH2-CD1 4.38Å; W769-Y822 HydrophobicContact CH2-CD2 4.18Å; W769-Y822 HydrophobicContact CH2-CE1 4.16Å; W769-Y822 AromaticContact CH2-CE2 3.96Å; W769-Y822 HydrophobicContact CH2-CE2 3.96Å; W769-Y822 HydrophobicContact CH2-CG 4.38Å; W769-Y822 AromaticContact CH2-CZ 3.93Å; W769-Y822 HydrophobicContact CZ3-CD2 4.29Å; W769-Y822 HydrophobicContact CZ3-CG 4.34Å; Y798-Y822 HydrophobicContact CD1-CE1 4.1Å; Y798-Y822 HydrophobicContact CG-CE1 4.41Å; K801-Y822 HydrophobicContact CB-CD2 4.17Å; K801-Y822 HydrophobicContact CB-CE1 4.39Å; K801-Y822 HydrophobicContact CB-CE2 4.04Å; K801-Y822 HydrophobicContact CB-CG 4.4Å; K801-Y822 HydrophobicContact CD-CG 4.33Å; K801-Y822 HydrophobicContact CG-CD1 4.1Å; K801-Y822 HydrophobicContact CG-CD2 4.44Å; K801-Y822 HydrophobicContact CG-CE1 4.31Å; K801-Y822 HydrophobicContact CG-CG 4.17Å; G802-Y822 PolarHBondContact N-OH 2.91Å; G802-Y822 WeakPolarHBondContact O-CE2 3.37Å; G802-Y822 PolarHBondContact O-OH 2.93Å; Y822-P824 WeakPolarHBondContact O-CD 3.47Å; Y822-R827 PolarHBondContact O-NH2 3.41Å
823E85.2Confident87.4Confident95 Ų9536.4 Ų36.444%0.44418%0.184SC..SBendtrans-78.1115175.7-60.2-55140.900110.1K801 T821 N825 E826K801-E823 IonicContact NZ-OE1 3.17Å; K801-E823 PolarHBondContact NZ-OE1 3.45Å; T821-E823 VanDerWaalsContact C-N 3.26Å; T821-E823 HydrophobicContact CG2-CB 4.43Å; T821-E823 PolarHBondContact O-N 3.43Å; E823-N825 VanDerWaalsContact C-N 3.32Å; E823-N825 PolarHBondContact O-N 3.06Å; E823-E826 HydrophobicContact CB-CB 4.38Å; E823-E826 HydrophobicContact CB-CG 3.92Å; E823-E826 PolarHBondContact O-N 2.88Å; E823-E826 VanDerWaalsContact O-N 3.14Å
824P86.7Confident87.3Confident27 Ų2736 Ų3618%0.17518%0.181CC..G310 helixtrans-62-37.3-170.4-24.634.8000113.7E754 T765 Y822 E826 R827E754-P824 HydrophobicContact CB-CG 4.17Å; E754-P824 VanDerWaalsContact CD-CG 3.45Å; E754-P824 HydrophobicContact CG-CG 3.88Å; E754-P824 WeakPolarHBondContact OE1-CG 3.48Å; T765-P824 HydrophobicContact CG2-CB 4.31Å; T765-P824 WeakPolarHBondContact CG2-O 3.21Å; Y822-P824 WeakPolarHBondContact O-CD 3.47Å; P824-E826 PolarHBondContact O-N 2.93Å; P824-R827 WeakPolarHBondContact O-CB 3.37Å; P824-R827 PolarHBondContact O-N 3.5Å
825N80.1Confident87.1Confident102 Ų10230.1 Ų30.155%0.54516%0.159SC..G310 helixtrans-71.3-9.8-178.5-63.9-50.2000114.2L529 E823L529-N825 HydrophobicContact CD1-CB 3.86Å; E823-N825 VanDerWaalsContact C-N 3.32Å; E823-N825 PolarHBondContact O-N 3.06Å
826E81.4Confident86.9Confident91 Ų9131.2 Ų31.243%0.42516%0.164SC..G310 helixtrans-96-6.5177.7-59.5-161.8161.900112.9K504 T821 E823 P824K504-E826 VanDerWaalsContact CE-OE1 3.26Å; K504-E826 WeakPolarHBondContact CE-OE1 3.43Å; K504-E826 IonicContact NZ-OE1 3.01Å; K504-E826 PolarHBondContact NZ-OE1 2.87Å; K504-E826 IonicContact NZ-OE2 3.45Å; K504-E826 PolarHBondContact NZ-OE2 3.39Å; T821-E826 HydrophobicContact CG2-CB 3.8Å; E823-E826 HydrophobicContact CB-CB 4.38Å; E823-E826 HydrophobicContact CB-CG 3.92Å; E823-E826 PolarHBondContact O-N 2.88Å; E823-E826 VanDerWaalsContact O-N 3.14Å; P824-E826 PolarHBondContact O-N 2.93Å
827R88Confident86.6Confident13 Ų1331.1 Ų31.15%0.04916%0.164CC..SBendtrans-74.7143.5179.1-62.3177.9-163.5147.610.1110.6E754 T765 Q768 C819 T821 Y822 P824E754-R827 IonicContact OE1-CZ 2.68Å; E754-R827 IonicContact OE1-NH1 2.85Å; E754-R827 PolarHBondContact OE1-NH1 2.98Å; E754-R827 IonicContact OE1-NH2 3.06Å; E754-R827 PolarHBondContact OE1-NH2 3.15Å; E754-R827 IonicContact OE2-CZ 3.82Å; E754-R827 IonicContact OE2-NH1 3.43Å; E754-R827 IonicContact OE2-NH2 3.93Å; E754-R827 PolarHBondContact OE2-NH2 3.06Å; T765-R827 WeakPolarHBondContact O-CD 3.5Å; T765-R827 PolarHBondContact O-NH1 3.49Å; Q768-R827 HydrophobicContact CB-CB 4.24Å; C819-R827 WeakPolarHBondContact O-CD 3.27Å; T821-R827 PolarHBondContact O-NE 3.37Å; T821-R827 PolarHBondContact O-NH2 3.29Å; Y822-R827 PolarHBondContact O-NH2 3.41Å; P824-R827 WeakPolarHBondContact O-CB 3.37Å; P824-R827 PolarHBondContact O-N 3.5Å
828P88.1Confident86.1Confident14 Ų1429.3 Ų29.39%0.09115%0.15CC..PPolyproline II helixtrans-71.5144-179.729.1-34.3000111.8Q768 M818 T832 I833Q768-P828 WeakPolarHBondContact CG-O 3.39Å; Q768-P828 PolarHBondContact NE2-O 3.4Å; Q768-P828 PolarHBondContact OE1-O 2.85Å; M818-P828 HydrophobicContact CB-CG 4.24Å; M818-P828 HydrophobicContact CE-CB 4.49Å; M818-P828 WeakPolarHBondContact O-CD 3.21Å; P828-T832 HydrophobicContact CB-CG2 3.84Å; P828-I833 HydrophobicContact CB-CG1 4.13Å; P828-I833 HydrophobicContact CG-CD1 4.25Å; P828-I833 HydrophobicContact CG-CG1 3.8Å
829T87.4Confident85.6Confident40 Ų4028 Ų2825%0.24514%0.143CC..PPolyproline II helixtrans-63159.2170.560.60000111.7Q831 T832 I833T829-Q831 PolarHBondContact O-N 3.22Å; T829-T832 WeakPolarHBondContact O-CA 3.16Å; T829-T832 WeakPolarHBondContact O-CB 3.18Å; T829-T832 PolarHBondContact O-N 2.72Å; T829-T832 PolarHBondContact OG1-N 2.88Å; T829-T832 PolarHBondContact OG1-OG1 3.26Å; T829-I833 WeakPolarHBondContact O-CG1 2.98Å; T829-I833 PolarHBondContact O-N 2.97Å
830F88.1Confident85Confident1 Ų128.7 Ų28.70%0.00415%0.146CC..Hα-helixtrans-65-28.4178.8-80.1-71.4000113L694 N695 E698 D767 Q768 F771 T832 I833 L834L694-F830 HydrophobicContact CB-CD1 3.71Å; L694-F830 HydrophobicContact CB-CD2 3.98Å; L694-F830 HydrophobicContact CB-CE1 3.44Å; L694-F830 VanDerWaalsContact CB-CE1 3.44Å; L694-F830 HydrophobicContact CB-CE2 3.71Å; L694-F830 HydrophobicContact CB-CG 3.99Å; L694-F830 HydrophobicContact CB-CZ 3.44Å; L694-F830 VanDerWaalsContact CB-CZ 3.44Å; L694-F830 HydrophobicContact CD1-CD1 4.45Å; L694-F830 HydrophobicContact CD1-CE1 3.48Å; L694-F830 VanDerWaalsContact CD1-CE1 3.48Å; L694-F830 HydrophobicContact CD1-CZ 3.56Å; L694-F830 HydrophobicContact CD2-CZ 4.47Å; L694-F830 HydrophobicContact CG-CE1 4.08Å; L694-F830 HydrophobicContact CG-CZ 4Å; N695-F830 HydrophobicContact CB-CB 3.77Å; E698-F830 HydrophobicContact CB-CD2 4.12Å; E698-F830 WeakPolarHBondContact OE2-CB 3.21Å; E698-F830 PolarHBondContact OE2-N 2.91Å; D767-F830 HydrophobicContact CB-CE2 3.97Å; D767-F830 HydrophobicContact CB-CZ 4.02Å; Q768-F830 HydrophobicContact CG-CD2 4.28Å; Q768-F830 HydrophobicContact CG-CE2 3.85Å; Q768-F830 HydrophobicContact CG-CZ 4.11Å; F771-F830 HydrophobicContact CB-CE1 4.02Å; F771-F830 HydrophobicContact CB-CZ 4.25Å; F771-F830 HydrophobicContact CD1-CE1 4.39Å; F771-F830 HydrophobicContact CD2-CE1 4.29Å; F771-F830 AromaticContact CG-CE1 3.98Å; F771-F830 HydrophobicContact CG-CE1 3.98Å; F830-T832 VanDerWaalsContact C-N 3.34Å; F830-T832 PolarHBondContact O-N 2.86Å; F830-I833 HydrophobicContact CD1-CB 4.42Å; F830-I833 HydrophobicContact CD1-CD1 3.74Å; F830-I833 HydrophobicContact CD1-CG2 4.4Å; F830-I833 HydrophobicContact CE1-CD1 3.87Å; F830-I833 HydrophobicContact CG-CD1 4.36Å; F830-I833 PolarHBondContact O-N 3.48Å; F830-L834 WeakPolarHBondContact O-CB 3.46Å; F830-L834 WeakPolarHBondContact O-CG 3.46Å; F830-L834 PolarHBondContact O-N 3.45Å
831Q81.5Confident84.2Confident6 Ų628.4 Ų28.43%0.02815%0.145CC..Hα-helixtrans-61.4-42.4170-170.4177.67.900112I361 Y401 H409 N695 T829 R835I361-Q831 HydrophobicContact CG2-CG 4.43Å; I361-Q831 PolarHBondContact O-NE2 2.78Å; Y401-Q831 PolarHBondContact OH-NE2 3.5Å; Y401-Q831 PolarHBondContact OH-OE1 3.32Å; H409-Q831 PolarHBondContact CD2-NE2 3.32Å; N695-Q831 PolarHBondContact OD1-N 3.47Å; T829-Q831 PolarHBondContact O-N 3.22Å; Q831-R835 PolarHBondContact O-N 3.34Å; Q831-R835 VanDerWaalsContact O-N 3.11Å
832T85.1Confident83.1Confident15 Ų1529.6 Ų29.69%0.09215%0.148CC..Hα-helixtrans-67.6-42.7175.6-560000111P828 T829 F830 L834 R835 E836P828-T832 HydrophobicContact CB-CG2 3.84Å; T829-T832 WeakPolarHBondContact O-CA 3.16Å; T829-T832 WeakPolarHBondContact O-CB 3.18Å; T829-T832 PolarHBondContact O-N 2.72Å; T829-T832 PolarHBondContact OG1-N 2.88Å; T829-T832 PolarHBondContact OG1-OG1 3.26Å; F830-T832 VanDerWaalsContact C-N 3.34Å; F830-T832 PolarHBondContact O-N 2.86Å; T832-L834 PolarHBondContact O-N 2.98Å; T832-R835 PolarHBondContact O-N 3.42Å; T832-E836 HydrophobicContact CG2-CG 4.37Å; T832-E836 WeakPolarHBondContact O-CG 3.44Å; T832-E836 PolarHBondContact O-N 3.24Å
833I89.4Confident82Confident0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-57.2-48.6175.9-70.2172.3000110.6A691 Q768 F771 F815 P828 T829 F830 R835 E836 L837A691-I833 HydrophobicContact CB-CG2 4.18Å; Q768-I833 HydrophobicContact CB-CD1 4.47Å; Q768-I833 HydrophobicContact CG-CD1 4.31Å; F771-I833 HydrophobicContact CD1-CD1 4.19Å; F771-I833 HydrophobicContact CD1-CG2 4Å; F771-I833 HydrophobicContact CE1-CG2 3.33Å; F771-I833 HydrophobicContact CZ-CG2 3.85Å; F815-I833 HydrophobicContact CE2-CG2 4.4Å; F815-I833 HydrophobicContact CZ-CG2 3.87Å; P828-I833 HydrophobicContact CB-CG1 4.13Å; P828-I833 HydrophobicContact CG-CD1 4.25Å; P828-I833 HydrophobicContact CG-CG1 3.8Å; T829-I833 WeakPolarHBondContact O-CG1 2.98Å; T829-I833 PolarHBondContact O-N 2.97Å; F830-I833 HydrophobicContact CD1-CB 4.42Å; F830-I833 HydrophobicContact CD1-CD1 3.74Å; F830-I833 HydrophobicContact CD1-CG2 4.4Å; F830-I833 HydrophobicContact CE1-CD1 3.87Å; F830-I833 HydrophobicContact CG-CD1 4.36Å; F830-I833 PolarHBondContact O-N 3.48Å; I833-R835 PolarHBondContact O-N 2.98Å; I833-E836 PolarHBondContact O-N 3.27Å; I833-L837 WeakPolarHBondContact O-CB 3.09Å; I833-L837 PolarHBondContact O-N 3.25Å
834L84.6Confident81.1Confident2 Ų233.7 Ų33.71%0.0117%0.172CC..Hα-helixtrans-60-46.1177.8-76.6169.3000111.6I361 L688 A691 R692 N695 F830 T832 L837 T838I361-L834 HydrophobicContact CG2-CB 4.4Å; I361-L834 HydrophobicContact CG2-CD1 3.76Å; L688-L834 HydrophobicContact CD1-CD2 3.7Å; A691-L834 HydrophobicContact CB-CD2 3.5Å; A691-L834 VanDerWaalsContact CB-CD2 3.5Å; A691-L834 HydrophobicContact CB-CG 4.03Å; R692-L834 HydrophobicContact CG-CD1 4.39Å; R692-L834 HydrophobicContact CG-CD2 3.79Å; N695-L834 HydrophobicContact CB-CD1 3.71Å; F830-L834 WeakPolarHBondContact O-CB 3.46Å; F830-L834 WeakPolarHBondContact O-CG 3.46Å; F830-L834 PolarHBondContact O-N 3.45Å; T832-L834 PolarHBondContact O-N 2.98Å; L834-L837 PolarHBondContact O-N 3.41Å; L834-T838 PolarHBondContact O-N 2.91Å; L834-T838 PolarHBondContact O-OG1 3.44Å; L834-T838 VanDerWaalsContact O-OG1 3.05Å
835R82.8Confident79.3Confident9 Ų937.5 Ų37.53%0.03420%0.197CC..Hα-helixtrans-58.6-51.2177.3-177-173.972-159.3-1.5111.9H409 Y410 E424 Q831 T832 I833 K839H409-R835 PolarHBondContact CE1-NH1 3.27Å; Y410-R835 PolarHBondContact O-NH1 3.38Å; Y410-R835 VanDerWaalsContact OH-CZ 3.31Å; Y410-R835 PolarHBondContact OH-NH2 3.38Å; E424-R835 IonicContact OE1-CZ 3.9Å; E424-R835 IonicContact OE1-NH1 3.51Å; E424-R835 PolarHBondContact OE1-NH1 3.28Å; E424-R835 IonicContact OE1-NH2 3.91Å; E424-R835 PolarHBondContact OE1-NH2 2.84Å; E424-R835 IonicContact OE2-NH2 3.72Å; E424-R835 PolarHBondContact OE2-NH2 2.95Å; Q831-R835 PolarHBondContact O-N 3.34Å; Q831-R835 VanDerWaalsContact O-N 3.11Å; T832-R835 PolarHBondContact O-N 3.42Å; I833-R835 PolarHBondContact O-N 2.98Å; R835-K839 WeakPolarHBondContact O-CG 3.5Å; R835-K839 PolarHBondContact O-N 2.96Å
836E84.5Confident78Confident26 Ų2640.1 Ų40.112%0.12121%0.211CC..Hα-helixtrans-68.6-37-178.5-63.3-47126.500112.1F815 T832 I833 K839 L840F815-E836 HydrophobicContact CD2-CB 3.83Å; F815-E836 HydrophobicContact CE2-CB 3.74Å; T832-E836 HydrophobicContact CG2-CG 4.37Å; T832-E836 WeakPolarHBondContact O-CG 3.44Å; T832-E836 PolarHBondContact O-N 3.24Å; I833-E836 PolarHBondContact O-N 3.27Å; E836-K839 VanDerWaalsContact CD-NZ 3.28Å; E836-K839 WeakPolarHBondContact O-CB 3.39Å; E836-K839 PolarHBondContact O-N 3.38Å; E836-K839 IonicContact OE1-NZ 3.37Å; E836-K839 PolarHBondContact OE1-NZ 3.03Å; E836-K839 IonicContact OE2-NZ 2.76Å; E836-K839 PolarHBondContact OE2-NZ 3.09Å; E836-K839 VanDerWaalsContact OE2-NZ 3.1Å; E836-L840 WeakPolarHBondContact O-CG 3.48Å; E836-L840 PolarHBondContact O-N 2.72Å
837L84Confident76.8Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-64.1-43.6176.2-172.863.8000111.8F684 L688 F815 I833 L834 K839 L840 I841F684-L837 HydrophobicContact CD1-CD1 3.78Å; F684-L837 HydrophobicContact CE1-CD1 4.05Å; L688-L837 HydrophobicContact CB-CD2 4.15Å; L688-L837 HydrophobicContact CD1-CD2 4.19Å; F815-L837 HydrophobicContact CE1-CD1 4.03Å; F815-L837 HydrophobicContact CZ-CB 4.05Å; F815-L837 HydrophobicContact CZ-CD1 4.32Å; I833-L837 WeakPolarHBondContact O-CB 3.09Å; I833-L837 PolarHBondContact O-N 3.25Å; L834-L837 PolarHBondContact O-N 3.41Å; L837-K839 VanDerWaalsContact C-N 3.33Å; L837-K839 PolarHBondContact O-N 3.3Å; L837-L840 PolarHBondContact O-N 3.23Å; L837-I841 HydrophobicContact CG-CD1 4.42Å; L837-I841 WeakPolarHBondContact O-CG1 3.31Å; L837-I841 PolarHBondContact O-N 3.46Å
838T78.3Confident74.7Confident12 Ų1237.6 Ų37.67%0.07420%0.204CC..Hα-helixtrans-61.6-40.4175.2-600000111.6H362 A364 L834 L840 I841 Q842H362-T838 PolarHBondContact NE2-OG1 3.21Å; H362-T838 VanDerWaalsContact NE2-OG1 3.14Å; A364-T838 HydrophobicContact CB-CG2 4.26Å; L834-T838 PolarHBondContact O-N 2.91Å; L834-T838 PolarHBondContact O-OG1 3.44Å; L834-T838 VanDerWaalsContact O-OG1 3.05Å; T838-L840 PolarHBondContact O-N 3.09Å; T838-I841 WeakPolarHBondContact O-CB 3.43Å; T838-I841 PolarHBondContact O-N 2.9Å; T838-Q842 WeakPolarHBondContact O-CG 3.27Å; T838-Q842 PolarHBondContact O-N 2.75Å
839K78Confident72.6Confident38 Ų3838.3 Ų38.317%0.16521%0.209CC..Hα-helixtrans-60.9-44.3174.4-69.3174.8-166.8169.90112.1H413 R835 E836 L837 I841 Q842 M843H413-K839 HydrophobicContact CB-CD 4.41Å; H413-K839 VanDerWaalsContact CB-NZ 3.27Å; R835-K839 WeakPolarHBondContact O-CG 3.5Å; R835-K839 PolarHBondContact O-N 2.96Å; E836-K839 VanDerWaalsContact CD-NZ 3.28Å; E836-K839 WeakPolarHBondContact O-CB 3.39Å; E836-K839 PolarHBondContact O-N 3.38Å; E836-K839 IonicContact OE1-NZ 3.37Å; E836-K839 PolarHBondContact OE1-NZ 3.03Å; E836-K839 IonicContact OE2-NZ 2.76Å; E836-K839 PolarHBondContact OE2-NZ 3.09Å; E836-K839 VanDerWaalsContact OE2-NZ 3.1Å; L837-K839 VanDerWaalsContact C-N 3.33Å; L837-K839 PolarHBondContact O-N 3.3Å; K839-I841 VanDerWaalsContact C-N 3.25Å; K839-I841 PolarHBondContact O-N 3.24Å; K839-Q842 PolarHBondContact O-N 3.4Å; K839-Q842 VanDerWaalsContact O-N 3.11Å; K839-M843 WeakPolarHBondContact O-CG 3.46Å; K839-M843 PolarHBondContact O-N 2.85Å
840L80.4Confident70.1Confident13 Ų1341.8 Ų41.87%0.06823%0.23CC..Hα-helixtrans-60.3-37.5177.7-71.4174.7000111.9F684 E811 F815 E836 L837 T838 N844F684-L840 HydrophobicContact CE1-CB 4.24Å; E811-L840 HydrophobicContact CB-CD2 3.64Å; F815-L840 HydrophobicContact CB-CD1 3.79Å; F815-L840 HydrophobicContact CD1-CD1 3.99Å; F815-L840 HydrophobicContact CD2-CD1 4.36Å; F815-L840 HydrophobicContact CG-CD1 3.8Å; E836-L840 WeakPolarHBondContact O-CG 3.48Å; E836-L840 PolarHBondContact O-N 2.72Å; L837-L840 PolarHBondContact O-N 3.23Å; T838-L840 PolarHBondContact O-N 3.09Å; L840-N844 PolarHBondContact O-ND2 2.96Å
841I75.7Confident67.5Low21 Ų2146.3 Ų46.311%0.10825%0.254CS..Hα-helixtrans-63.7-44.2174.2-69.2167.6000110.6F684 L837 T838 K839 M843 N844 I847F684-I841 HydrophobicContact CB-CD1 3.99Å; F684-I841 HydrophobicContact CB-CG1 3.79Å; F684-I841 HydrophobicContact CD1-CD1 4.39Å; F684-I841 HydrophobicContact CD1-CG1 3.77Å; F684-I841 HydrophobicContact CG-CG1 3.9Å; L837-I841 HydrophobicContact CG-CD1 4.42Å; L837-I841 WeakPolarHBondContact O-CG1 3.31Å; L837-I841 PolarHBondContact O-N 3.46Å; T838-I841 WeakPolarHBondContact O-CB 3.43Å; T838-I841 PolarHBondContact O-N 2.9Å; K839-I841 VanDerWaalsContact C-N 3.25Å; K839-I841 PolarHBondContact O-N 3.24Å; I841-M843 PolarHBondContact O-N 3.28Å; I841-N844 PolarHBondContact O-N 2.85Å; I841-I847 HydrophobicContact CG2-CG2 4.08Å
842Q66.8Low65.2Low61 Ų6149.5 Ų49.529%0.28527%0.274SS..Hα-helixtrans-68.5-32.8-178.6-71.8177.6-32.200114.2T838 K839 N844T838-Q842 WeakPolarHBondContact O-CG 3.27Å; T838-Q842 PolarHBondContact O-N 2.75Å; K839-Q842 PolarHBondContact O-N 3.4Å; K839-Q842 VanDerWaalsContact O-N 3.11Å; Q842-N844 PolarHBondContact O-N 2.87Å
843M66.8Low62.6Low145 Ų14556.4 Ų56.471%0.71431%0.309SS*.THydrogen-bonded Turntrans-72.1-6.8179.8-68.2179.8106.600113.2K839 I841K839-M843 WeakPolarHBondContact O-CG 3.46Å; K839-M843 PolarHBondContact O-N 2.85Å; I841-M843 PolarHBondContact O-N 3.28Å
844N65.2Low59.8Low71 Ų7161.5 Ų61.538%0.3834%0.343SS..  trans-118.197-178.5-70.9-64.4000110.7L840 I841 Q842 D846 I847L840-N844 PolarHBondContact O-ND2 2.96Å; I841-N844 PolarHBondContact O-N 2.85Å; Q842-N844 PolarHBondContact O-N 2.87Å; N844-D846 PolarHBondContact O-N 2.95Å; N844-I847 HydrophobicContact CB-CB 4.22Å; N844-I847 HydrophobicContact CB-CD1 3.45Å; N844-I847 VanDerWaalsContact CB-CD1 3.45Å; N844-I847 HydrophobicContact CB-CG1 3.79Å; N844-I847 WeakPolarHBondContact O-CB 3.43Å; N844-I847 PolarHBondContact O-N 3.41Å; N844-I847 VanDerWaalsContact O-N 3.08Å
845P48.4Very low57.6Low108 Ų10865.4 Ų65.470%0.70137%0.368SS*.G310 helixtrans-60.4-27.5-175.4-17.425.5000114.5I847P845-I847 PolarHBondContact O-N 3.26Å; P845-I847 VanDerWaalsContact O-N 3.15Å
846D53.9Low55.6Low157 Ų15771.1 Ų71.184%0.8440%0.397SS*.G310 helixtrans-72.30.6178-61.8-32.8000113.5N844N844-D846 PolarHBondContact O-N 2.95Å
847I55.8Low53.7Low15 Ų1573 Ų738%0.07741%0.408CS..G310 helixtrans-1122.6-173.7-57.7-173.9000111.9A680 Q681 F684 I841 N844 P845A680-I847 HydrophobicContact CB-CD1 4.48Å; Q681-I847 HydrophobicContact CB-CB 4.32Å; Q681-I847 HydrophobicContact CB-CG1 4.42Å; Q681-I847 HydrophobicContact CB-CG2 3.86Å; Q681-I847 HydrophobicContact CG-CG2 3.89Å; Q681-I847 WeakPolarHBondContact CG-O 3.47Å; Q681-I847 VanDerWaalsContact NE2-C 3.35Å; Q681-I847 PolarHBondContact NE2-O 2.89Å; F684-I847 HydrophobicContact CD2-CD1 3.74Å; F684-I847 HydrophobicContact CD2-CG2 4.36Å; F684-I847 HydrophobicContact CE2-CD1 3.71Å; I841-I847 HydrophobicContact CG2-CG2 4.08Å; N844-I847 HydrophobicContact CB-CB 4.22Å; N844-I847 HydrophobicContact CB-CD1 3.45Å; N844-I847 VanDerWaalsContact CB-CD1 3.45Å; N844-I847 HydrophobicContact CB-CG1 3.79Å; N844-I847 WeakPolarHBondContact O-CB 3.43Å; N844-I847 PolarHBondContact O-N 3.41Å; N844-I847 VanDerWaalsContact O-N 3.08Å; P845-I847 PolarHBondContact O-N 3.26Å; P845-I847 VanDerWaalsContact O-N 3.15Å
848S44.8Very low52.6Low36 Ų3677.1 Ų77.125%0.25243%0.434SS..PPolyproline II helixtrans-66.9125.6176.8-174.90000111.7Y285 Q681Y285-S848 WeakPolarHBondContact CB-OG 3.41Å; Y285-S848 VanDerWaalsContact CD2-OG 3.27Å; Y285-S848 WeakPolarHBondContact CD2-OG 3.47Å; Q681-S848 PolarHBondContact NE2-O 3.48Å
849P42.3Very low51.9Low29 Ų2978 Ų7819%0.18844%0.441CS..PPolyproline II helixtrans-66141.4176.923.4-27.4000111.3I283 Q681I283-P849 HydrophobicContact CB-CG 3.7Å; I283-P849 HydrophobicContact CG1-CG 4.18Å; I283-P849 WeakPolarHBondContact O-CG 3.38Å; Q681-P849 VanDerWaalsContact NE2-CA 3.29Å; Q681-P849 VanDerWaalsContact NE2-N 3.2Å
850V35.4Very low51.7Low112 Ų11279.3 Ų79.368%0.67945%0.452SS*.PPolyproline II helixtrans-73.6136.4178.4174.90000109.5T852V850-T852 PolarHBondContact O-N 3.46Å
851D33.1Very low51.7Low97 Ų9779 Ų7952%0.51945%0.45SS..PPolyproline II helixtrans-50.4130174.8-72.2-43.8000112.1S284S284-D851 VanDerWaalsContact CB-OD1 3.31Å; S284-D851 WeakPolarHBondContact CB-OD1 3.23Å
852T33Very low51.8Low72 Ų7279.9 Ų79.944%0.44245%0.454SS..  trans-116159.9163.241.10000112.5S282 G722 V850S282-T852 PolarHBondContact OG-OG1 2.78Å; G722-T852 WeakPolarHBondContact O-CG2 3.47Å; V850-T852 PolarHBondContact O-N 3.46Å
853L32Very low52.5Low160 Ų16080.3 Ų80.384%0.83846%0.455SS*.  trans-43.4153.4-169.9-75.9155.8000114.9
854P30.4Very low53Low108 Ų10882 Ų8270%0.70145%0.453SS*.PPolyproline II helixtrans-55.2136.1-173.921.4-33.1000112.1M856P854-M856 PolarHBondContact O-N 3.48Å
855P37.7Very low53.8Low84 Ų8480.8 Ų80.855%0.54544%0.444SS..PPolyproline II helixtrans-62.3132.4-175.722.6-31.3000110.5
856M41.4Very low55.5Low129 Ų12976.6 Ų76.664%0.63542%0.415SS*.PPolyproline II helixtrans-64.5147.7164.8-71.8-89.3-78.400108.7P854 P858P854-M856 PolarHBondContact O-N 3.48Å; M856-P858 WeakPolarHBondContact O-CD 3.3Å; M856-P858 VanDerWaalsContact O-N 3.09Å
857D45.4Very low56.8Low66 Ų6674.2 Ų74.235%0.35339%0.394SS..PPolyproline II helixtrans-51.4117178.1-179.9-15.9000110.5S859 V860D857-S859 PolarHBondContact O-N 3.3Å; D857-S859 WeakPolarHBondContact OD1-CB 3.05Å; D857-S859 PolarHBondContact OD1-N 3.12Å; D857-S859 PolarHBondContact OD1-OG 2.92Å; D857-S859 PolarHBondContact OD2-OG 3.42Å; D857-V860 HydrophobicContact CB-CB 4.42Å; D857-V860 HydrophobicContact CB-CG2 3.86Å; D857-V860 PolarHBondContact O-N 2.9Å
858P59.3Low58.2Low86 Ų8677 Ų7756%0.55841%0.406SS*.THydrogen-bonded Turntrans-64.1-14.3-174.124-32.8000113.1M856M856-P858 WeakPolarHBondContact O-CD 3.3Å; M856-P858 VanDerWaalsContact O-N 3.09Å
859S65.1Low60Low31 Ų3175.9 Ų75.922%0.21740%0.397CS..THydrogen-bonded Turntrans-87.7-1.8176.371.10000114.3D857 G932 L933D857-S859 PolarHBondContact O-N 3.3Å; D857-S859 WeakPolarHBondContact OD1-CB 3.05Å; D857-S859 PolarHBondContact OD1-N 3.12Å; D857-S859 PolarHBondContact OD1-OG 2.92Å; D857-S859 PolarHBondContact OD2-OG 3.42Å; S859-G932 CarbonylContact O-C 3.52Å; S859-G932 WeakPolarHBondContact O-CA 3.44Å; S859-L933 PolarHBondContact O-N 3.45Å
860V73.6Confident61.8Low64 Ų6477.8 Ų77.839%0.38840%0.4SS..EExtended strand (participates in β ladder)trans-106.3110.8-177.7-178.80000111D857 Y885D857-V860 HydrophobicContact CB-CB 4.42Å; D857-V860 HydrophobicContact CB-CG2 3.86Å; D857-V860 PolarHBondContact O-N 2.9Å; V860-Y885 PolarHBondContact O-OH 2.58Å
861F80.3Confident64.2Low6 Ų675.3 Ų75.33%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-98.5135.2176.7-71.7-108.3000109.9Y885 E894 V896 K931 L933 C934 I945F861-Y885 WeakPolarHBondContact CA-OH 3.1Å; F861-Y885 HydrophobicContact CB-CD2 4.44Å; F861-Y885 HydrophobicContact CB-CE2 3.98Å; F861-Y885 AromaticContact CD1-CD1 3.37Å; F861-Y885 HydrophobicContact CD1-CD1 3.37Å; F861-Y885 AromaticContact CD1-CD2 3.62Å; F861-Y885 HydrophobicContact CD1-CD2 3.62Å; F861-Y885 AromaticContact CD1-CE1 3.54Å; F861-Y885 HydrophobicContact CD1-CE1 3.54Å; F861-Y885 AromaticContact CD1-CE2 3.78Å; F861-Y885 HydrophobicContact CD1-CE2 3.78Å; F861-Y885 AromaticContact CD1-CG 3.39Å; F861-Y885 HydrophobicContact CD1-CG 3.39Å; F861-Y885 AromaticContact CD1-CZ 3.75Å; F861-Y885 AromaticContact CE1-CD1 3.36Å; F861-Y885 HydrophobicContact CE1-CD1 3.36Å; F861-Y885 HydrophobicContact CE1-CD2 4.38Å; F861-Y885 AromaticContact CE1-CE1 3.77Å; F861-Y885 HydrophobicContact CE1-CE1 3.77Å; F861-Y885 AromaticContact CE1-CG 3.69Å; F861-Y885 HydrophobicContact CE1-CG 3.69Å; F861-Y885 HydrophobicContact CG-CD1 4.45Å; F861-Y885 HydrophobicContact CG-CD2 4.48Å; F861-Y885 HydrophobicContact CG-CE1 4.23Å; F861-Y885 HydrophobicContact CG-CE2 4.27Å; F861-Y885 HydrophobicContact CZ-CD1 4.44Å; F861-E894 WeakPolarHBondContact CE1-OE1 3.29Å; F861-V896 HydrophobicContact CE1-CG1 4.2Å; F861-K931 HydrophobicContact CE2-CB 4.29Å; F861-K931 HydrophobicContact CZ-CB 4.17Å; F861-L933 PolarHBondContact N-O 2.81Å; F861-C934 HydrophobicContact CB-CB 3.91Å; F861-C934 VanDerWaalsContact O-CA 3.23Å; F861-C934 WeakPolarHBondContact O-CA 3.38Å; F861-I945 HydrophobicContact CB-CD1 4.36Å; F861-I945 HydrophobicContact CB-CG1 3.92Å; F861-I945 HydrophobicContact CD1-CG1 4.2Å; F861-I945 HydrophobicContact CD1-CG2 3.96Å; F861-I945 HydrophobicContact CD2-CB 4.19Å; F861-I945 HydrophobicContact CD2-CG1 3.89Å; F861-I945 HydrophobicContact CD2-CG2 4.3Å; F861-I945 HydrophobicContact CE1-CG2 3.83Å; F861-I945 HydrophobicContact CE2-CB 4.34Å; F861-I945 HydrophobicContact CE2-CG2 4.18Å; F861-I945 HydrophobicContact CG-CB 4.33Å; F861-I945 HydrophobicContact CG-CD1 4.46Å; F861-I945 HydrophobicContact CG-CG1 3.73Å; F861-I945 HydrophobicContact CG-CG2 4.22Å; F861-I945 HydrophobicContact CZ-CG2 3.96Å
862Q78.1Confident66.6Low40 Ų4073.2 Ų73.219%0.18737%0.372CS..  trans-102127.6176-55.5176.322.300111.3R864 Y865 Y885Q862-R864 HydrophobicContact CB-CG 4.12Å; Q862-R864 PolarHBondContact O-N 3.38Å; Q862-R864 VanDerWaalsContact O-N 3.08Å; Q862-Y865 HydrophobicContact CB-CD2 3.66Å; Q862-Y865 HydrophobicContact CB-CE2 3.99Å; Q862-Y865 HydrophobicContact CG-CD2 4.31Å; Q862-Y865 HydrophobicContact CG-CE2 4.28Å; Q862-Y865 PolarHBondContact O-N 3.02Å; Q862-Y885 PolarHBondContact N-OH 2.7Å
863K80.3Confident68.9Low70 Ų7071.3 Ų71.330%0.30437%0.366SS..G310 helixtrans-53.4-35.2-177.6-167.9172.2176.31760113.9Y865 L866 C934 E936K863-Y865 PolarHBondContact O-N 3.23Å; K863-Y865 VanDerWaalsContact O-N 3.15Å; K863-L866 WeakPolarHBondContact O-CB 3.49Å; K863-L866 PolarHBondContact O-N 3.48Å; K863-L866 VanDerWaalsContact O-N 3.07Å; K863-C934 VanDerWaalsContact CA-SG 3.53Å; K863-C934 VanDerWaalsContact CB-SG 3.58Å; K863-C934 PolarHBondContact N-SG 3.35Å; K863-E936 HydrophobicContact CD-CB 4.18Å; K863-E936 HydrophobicContact CD-CG 4.3Å; K863-E936 WeakPolarHBondContact CD-OE2 3.41Å; K863-E936 IonicContact NZ-OE2 3.51Å; K863-E936 PolarHBondContact NZ-OE2 3.28Å
864R76.7Confident71.2Confident181 Ų18169.8 Ų69.868%0.68336%0.355SS*.G310 helixtrans-60.2-22.7178.962.8178.2174.3176.91.5114.1Q862Q862-R864 HydrophobicContact CB-CG 4.12Å; Q862-R864 PolarHBondContact O-N 3.38Å; Q862-R864 VanDerWaalsContact O-N 3.08Å
865Y82.4Confident73.1Confident46 Ų4665.3 Ų65.318%0.1833%0.329CS..G310 helixtrans-99.7-3.4-179.9-56.2-49000113Q862 K863 R867 Y885 D886 P887Q862-Y865 HydrophobicContact CB-CD2 3.66Å; Q862-Y865 HydrophobicContact CB-CE2 3.99Å; Q862-Y865 HydrophobicContact CG-CD2 4.31Å; Q862-Y865 HydrophobicContact CG-CE2 4.28Å; Q862-Y865 PolarHBondContact O-N 3.02Å; K863-Y865 PolarHBondContact O-N 3.23Å; K863-Y865 VanDerWaalsContact O-N 3.15Å; Y865-R867 PolarHBondContact O-N 3.4Å; Y865-Y885 HydrophobicContact CD2-CE2 4.2Å; Y865-Y885 HydrophobicContact CG-CE2 4.44Å; Y865-Y885 WeakPolarHBondContact O-CA 3.39Å; Y865-D886 PolarHBondContact O-N 3.48Å; Y865-P887 HydrophobicContact CD2-CB 4.01Å; Y865-P887 HydrophobicContact CD2-CG 4.34Å; Y865-P887 WeakPolarHBondContact CE1-O 3.13Å; Y865-P887 HydrophobicContact CE2-CB 4.21Å; Y865-P887 VanDerWaalsContact CG-CA 3.48Å; Y865-P887 HydrophobicContact CG-CB 4.31Å
866L83.8Confident74.8Confident19 Ų1964.1 Ų64.110%0.09932%0.315CS..EExtended strand (participates in β ladder)trans-85.8109176.8-73.4174.9000110.2K863 Y883 Y885 V896 V898 C934 I945K863-L866 WeakPolarHBondContact O-CB 3.49Å; K863-L866 PolarHBondContact O-N 3.48Å; K863-L866 VanDerWaalsContact O-N 3.07Å; L866-Y883 HydrophobicContact CB-CD1 3.55Å; L866-Y883 HydrophobicContact CB-CE1 3.99Å; L866-Y883 HydrophobicContact CB-CG 4.26Å; L866-Y883 HydrophobicContact CD2-CD1 4.4Å; L866-Y883 HydrophobicContact CD2-CG 4.3Å; L866-Y883 HydrophobicContact CG-CD1 4.46Å; L866-Y885 HydrophobicContact CD2-CD2 3.66Å; L866-Y885 HydrophobicContact CD2-CG 4.17Å; L866-Y885 HydrophobicContact CG-CD2 3.94Å; L866-V896 HydrophobicContact CD2-CG2 3.97Å; L866-V898 HydrophobicContact CD1-CG2 4.37Å; L866-V898 HydrophobicContact CD2-CG2 4.22Å; L866-C934 HydrophobicContact CD1-CB 4.08Å; L866-I945 HydrophobicContact CD1-CD1 4.24Å
867R82.8Confident76.2Confident107 Ų10759.4 Ų59.440%0.40429%0.292SS..EExtended strand (participates in β ladder)trans-96.5117.4173-61.1-179.5-178.6175.33.9110.2Y865 Y883 Q884 D886 S889Y865-R867 PolarHBondContact O-N 3.4Å; R867-Y883 CarbonylContact O-C 3.39Å; R867-Y883 VanDerWaalsContact O-CA 3.23Å; R867-Y883 WeakPolarHBondContact O-CA 2.94Å; R867-Y883 WeakPolarHBondContact O-CD1 3.36Å; R867-Q884 HydrophobicContact CB-CB 4.42Å; R867-Q884 PolarHBondContact N-O 2.8Å; R867-Q884 PolarHBondContact O-N 3.49Å; R867-D886 IonicContact CZ-OD2 2.85Å; R867-D886 IonicContact NE-OD2 3.66Å; R867-D886 IonicContact NH1-OD2 3.48Å; R867-D886 PolarHBondContact NH1-OD2 2.7Å; R867-D886 IonicContact NH2-OD2 3.39Å; R867-D886 PolarHBondContact NH2-OD2 2.56Å; R867-S889 PolarHBondContact NH2-O 2.85Å
868K84.4Confident77.7Confident74 Ų7456.3 Ų56.332%0.32228%0.275SS..EExtended strand (participates in β ladder)trans-69.6130.7-176.8-178.3173173.6174.30110.7D871 T881 Y883K868-D871 WeakPolarHBondContact CE-OD1 3.2Å; K868-D871 IonicContact NZ-OD1 2.69Å; K868-D871 PolarHBondContact NZ-OD1 3.24Å; K868-D871 IonicContact NZ-OD2 2.73Å; K868-T881 HydrophobicContact CD-CG2 3.9Å; K868-T881 HydrophobicContact CG-CG2 3.69Å; K868-Y883 VanDerWaalsContact CA-CD1 3.43Å; K868-Y883 HydrophobicContact CB-CD1 4.02Å; K868-Y883 HydrophobicContact CB-CE1 3.52Å; K868-Y883 HydrophobicContact CG-CE1 4.29Å; K868-Y883 HydrophobicContact CG-CE2 4.48Å; K868-Y883 VanDerWaalsContact N-CD1 3.32Å
869M82.6Confident78.9Confident13 Ų1354.8 Ų54.86%0.06426%0.26CS..EExtended strand (participates in β ladder)trans-103.8-57.3178.8-55.1-60-65.300112.5L592 I609 F644 H646 L882 Q884 F895L592-M869 WeakPolarHBondContact CD2-O 3.49Å; I609-M869 HydrophobicContact CD1-CE 4.05Å; I609-M869 HydrophobicContact CD1-SD 4Å; F644-M869 HydrophobicContact CE1-CE 4.39Å; H646-M869 WeakPolarHBondContact CE1-CE 3.49Å; M869-L882 HydrophobicContact CB-CB 4.13Å; M869-L882 HydrophobicContact CB-CD2 4Å; M869-L882 HydrophobicContact CB-CG 3.83Å; M869-L882 WeakPolarHBondContact CB-O 3.27Å; M869-L882 HydrophobicContact CG-CD2 4.49Å; M869-L882 HydrophobicContact CG-CG 4.11Å; M869-L882 PolarHBondContact N-O 3.46Å; M869-Q884 HydrophobicContact CG-CB 4.44Å; M869-Q884 HydrophobicContact SD-CB 4.13Å; M869-F895 HydrophobicContact CE-CE1 3.74Å; M869-F895 HydrophobicContact CE-CZ 4.36Å; M869-F895 HydrophobicContact CG-CD1 4.17Å; M869-F895 HydrophobicContact CG-CE1 3.89Å; M869-F895 HydrophobicContact SD-CE1 4.02Å
870R81.1Confident80.1Confident68 Ų6854.7 Ų54.726%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-165.1159.5178.162.5179.7-178.3160.52.2111.1H564 L872 T881 L882 Y948H564-R870 PolarHBondContact CD2-NH1 3.32Å; H564-R870 PolarHBondContact ND1-NH1 2.95Å; H564-R870 VanDerWaalsContact ND1-NH1 3.16Å; R870-L872 HydrophobicContact CG-CD2 4.47Å; R870-T881 WeakPolarHBondContact O-CG2 2.8Å; R870-L882 HydrophobicContact CG-CB 4.06Å; R870-L882 HydrophobicContact CG-CD2 4.13Å; R870-L882 PolarHBondContact N-O 2.92Å; R870-L882 WeakPolarHBondContact O-CB 3.42Å; R870-L882 PolarHBondContact O-N 3.45Å; R870-Y948 PolarHBondContact NH2-OH 3.16Å
871D85.3Confident80.8Confident61 Ų6151.9 Ų51.933%0.32624%0.241SC..EExtended strand (participates in β ladder)trans-76.5135.6172.8-57.3-34.2000109.9K868 K879K868-D871 WeakPolarHBondContact CE-OD1 3.2Å; K868-D871 IonicContact NZ-OD1 2.69Å; K868-D871 PolarHBondContact NZ-OD1 3.24Å; K868-D871 IonicContact NZ-OD2 2.73Å; D871-K879 WeakPolarHBondContact OD1-CE 3.04Å; D871-K879 IonicContact OD1-NZ 3.79Å; D871-K879 PolarHBondContact OD1-NZ 3.14Å; D871-K879 WeakPolarHBondContact OD2-CE 3.25Å; D871-K879 IonicContact OD2-NZ 3.26Å; D871-K879 PolarHBondContact OD2-NZ 3.21Å
872L83.5Confident81.2Confident52 Ų5251.7 Ų51.727%0.27224%0.24SC..EExtended strand (participates in β ladder)trans-100.2-32.8-179.7-65.5176.9000112.1R870 V880 L882 A897 Y948R870-L872 HydrophobicContact CG-CD2 4.47Å; L872-V880 HydrophobicContact CB-CB 4.48Å; L872-V880 HydrophobicContact CB-CG1 4.23Å; L872-V880 HydrophobicContact CD1-CG1 4.2Å; L872-V880 PolarHBondContact N-O 2.91Å; L872-L882 HydrophobicContact CD1-CB 3.96Å; L872-L882 HydrophobicContact CD2-CB 3.98Å; L872-L882 HydrophobicContact CG-CB 3.9Å; L872-A897 HydrophobicContact CD1-CB 3.99Å; L872-Y948 HydrophobicContact CD1-CD2 3.91Å; L872-Y948 HydrophobicContact CD1-CE2 4.16Å; L872-Y948 HydrophobicContact CD2-CD2 4.41Å; L872-Y948 HydrophobicContact CD2-CE2 3.8Å
873G81Confident81.7Confident32 Ų3251.6 Ų51.633%0.3324%0.238SC..EExtended strand (participates in β ladder)trans165.8-171.2179.200000112.8V880G873-V880 PolarHBondContact N-O 3.48Å; G873-V880 PolarHBondContact O-N 3.32Å
874E80.4Confident81.9Confident129 Ų12949 Ų4960%0.60323%0.227SC*.EExtended strand (participates in β ladder)trans-126.3125.5174.5-62.8-170.9179.400109.5K879 K902E874-K879 HydrophobicContact CG-CG 4.43Å; E874-K902 WeakPolarHBondContact OE2-CE 3.45Å; E874-K902 IonicContact OE2-NZ 2.68Å; E874-K902 PolarHBondContact OE2-NZ 3.16Å
875G70.3Confident82.2Confident14 Ų1441.7 Ų41.714%0.14420%0.2CC..EExtended strand (participates in β ladder)trans-104-175.9171.200000111.7F877 G878 D1009G875-F877 PolarHBondContact O-N 2.92Å; G875-G878 PolarHBondContact N-O 3.47Å; G875-G878 PolarHBondContact O-N 3.44Å; G875-D1009 WeakPolarHBondContact CA-OD2 3.49Å
876H72.4Confident82.1Confident58 Ų5839.5 Ų39.527%0.26919%0.191SC..THydrogen-bonded Turntrans-53.6-51.8-172.2-176.472.2000113.8D1009 L1012 D1030H876-D1009 PolarHBondContact N-OD2 3.2Å; H876-L1012 VanDerWaalsContact CE1-CD2 3.41Å; H876-L1012 WeakPolarHBondContact CE1-CD2 2.96Å; H876-L1012 WeakPolarHBondContact NE2-CD2 3.42Å; H876-D1030 PolarHBondContact CE1-O 2.99Å; H876-D1030 VanDerWaalsContact CE1-O 3.25Å; H876-D1030 PolarHBondContact ND1-O 2.84Å
877F71.6Confident81.6Confident31 Ų3141.2 Ų41.214%0.13620%0.203CC..THydrogen-bonded Turntrans-88.4-9.9-179.1-70.2-53.3000114.7G875 L901 K902 G911 W912 E915 G1011G875-F877 PolarHBondContact O-N 2.92Å; F877-L901 HydrophobicContact CB-CD1 4.21Å; F877-L901 WeakPolarHBondContact O-CA 3.38Å; F877-K902 PolarHBondContact O-N 2.83Å; F877-K902 VanDerWaalsContact O-N 3.15Å; F877-G911 WeakPolarHBondContact CE2-O 3.48Å; F877-W912 HydrophobicContact CB-CE3 3.56Å; F877-W912 HydrophobicContact CB-CZ3 3.84Å; F877-W912 AromaticContact CD2-CE3 3.91Å; F877-W912 HydrophobicContact CD2-CE3 3.91Å; F877-W912 HydrophobicContact CG-CE3 4Å; F877-E915 HydrophobicContact CD2-CB 4.33Å; F877-E915 VanDerWaalsContact CD2-OE2 3.28Å; F877-E915 WeakPolarHBondContact CD2-OE2 3.27Å; F877-E915 HydrophobicContact CE2-CB 4.27Å; F877-G1011 WeakPolarHBondContact CE2-O 3.48Å; F877-G1011 WeakPolarHBondContact CZ-O 3.32Å
878G76.8Confident80.9Confident0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans156.2-161.8172.100000116.5G875 S900G875-G878 PolarHBondContact N-O 3.47Å; G875-G878 PolarHBondContact O-N 3.44Å; G878-S900 CarbonylContact C-O 3.45Å; G878-S900 VanDerWaalsContact CA-O 3.3Å; G878-S900 WeakPolarHBondContact CA-O 3.26Å
879K84.7Confident80.2Confident55 Ų5539 Ų3924%0.23921%0.214CC..EExtended strand (participates in β ladder)trans-82.6132.8-164.6-172.2170177.8171.10111.2D871 E874 K899 S900D871-K879 WeakPolarHBondContact OD1-CE 3.04Å; D871-K879 IonicContact OD1-NZ 3.79Å; D871-K879 PolarHBondContact OD1-NZ 3.14Å; D871-K879 WeakPolarHBondContact OD2-CE 3.25Å; D871-K879 IonicContact OD2-NZ 3.26Å; D871-K879 PolarHBondContact OD2-NZ 3.21Å; E874-K879 HydrophobicContact CG-CG 4.43Å; K879-K899 WeakPolarHBondContact O-CA 3.45Å; K879-S900 PolarHBondContact N-O 2.88Å; K879-S900 VanDerWaalsContact N-O 3.07Å; K879-S900 PolarHBondContact O-N 3.33Å
880V89.1Confident79.5Confident28 Ų2840.4 Ų40.417%0.1722%0.221CC..EExtended strand (participates in β ladder)trans-101.1126.5173.9-172.10000108.5L872 G873 A897 V898 K899 M946L872-V880 HydrophobicContact CB-CB 4.48Å; L872-V880 HydrophobicContact CB-CG1 4.23Å; L872-V880 HydrophobicContact CD1-CG1 4.2Å; L872-V880 PolarHBondContact N-O 2.91Å; G873-V880 PolarHBondContact N-O 3.48Å; G873-V880 PolarHBondContact O-N 3.32Å; V880-A897 HydrophobicContact CG1-CB 4.16Å; V880-V898 WeakPolarHBondContact CA-O 3.22Å; V880-K899 HydrophobicContact CG2-CB 4.16Å; V880-K899 HydrophobicContact CG2-CD 4.26Å; V880-K899 HydrophobicContact CG2-CG 3.9Å; V880-M946 HydrophobicContact CG1-CE 4.13Å
881T89.1Confident78.8Confident6 Ų637.8 Ų37.84%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-132.4138.7-174.3-53.90000109.6K868 R870 Y883 V898K868-T881 HydrophobicContact CD-CG2 3.9Å; K868-T881 HydrophobicContact CG-CG2 3.69Å; R870-T881 WeakPolarHBondContact O-CG2 2.8Å; T881-Y883 HydrophobicContact CG2-CD2 3.85Å; T881-Y883 HydrophobicContact CG2-CE2 3.43Å; T881-Y883 VanDerWaalsContact CG2-CE2 3.43Å; T881-V898 PolarHBondContact N-O 3.27Å; T881-V898 PolarHBondContact O-N 3.38Å
882L88.9Confident78.1Confident1 Ų135.9 Ų35.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-76.3127.4171.5-178.459000109.3F644 M869 R870 L872 F895 Y948F644-L882 HydrophobicContact CZ-CD2 4.18Å; M869-L882 HydrophobicContact CB-CB 4.13Å; M869-L882 HydrophobicContact CB-CD2 4Å; M869-L882 HydrophobicContact CB-CG 3.83Å; M869-L882 WeakPolarHBondContact CB-O 3.27Å; M869-L882 HydrophobicContact CG-CD2 4.49Å; M869-L882 HydrophobicContact CG-CG 4.11Å; M869-L882 PolarHBondContact N-O 3.46Å; R870-L882 HydrophobicContact CG-CB 4.06Å; R870-L882 HydrophobicContact CG-CD2 4.13Å; R870-L882 PolarHBondContact N-O 2.92Å; R870-L882 WeakPolarHBondContact O-CB 3.42Å; R870-L882 PolarHBondContact O-N 3.45Å; L872-L882 HydrophobicContact CD1-CB 3.96Å; L872-L882 HydrophobicContact CD2-CB 3.98Å; L872-L882 HydrophobicContact CG-CB 3.9Å; L882-F895 HydrophobicContact CD1-CB 4.14Å; L882-F895 HydrophobicContact CD1-CD1 4.28Å; L882-F895 HydrophobicContact CG-CD1 4.45Å; L882-Y948 HydrophobicContact CD1-CD1 3.91Å; L882-Y948 HydrophobicContact CD1-CD2 3.58Å; L882-Y948 HydrophobicContact CD1-CE1 4.31Å; L882-Y948 HydrophobicContact CD1-CE2 4.01Å; L882-Y948 HydrophobicContact CD1-CG 3.51Å; L882-Y948 HydrophobicContact CD2-CE1 4.29Å; L882-Y948 HydrophobicContact CD2-CE2 4.12Å
883Y88.9Confident77.5Confident39 Ų3933.7 Ų33.715%0.15320%0.196CC..EExtended strand (participates in β ladder)trans-124.7154.3173.1-79.7-98.8000110.4L866 R867 K868 T881 F895 V896 V898L866-Y883 HydrophobicContact CB-CD1 3.55Å; L866-Y883 HydrophobicContact CB-CE1 3.99Å; L866-Y883 HydrophobicContact CB-CG 4.26Å; L866-Y883 HydrophobicContact CD2-CD1 4.4Å; L866-Y883 HydrophobicContact CD2-CG 4.3Å; L866-Y883 HydrophobicContact CG-CD1 4.46Å; R867-Y883 CarbonylContact O-C 3.39Å; R867-Y883 VanDerWaalsContact O-CA 3.23Å; R867-Y883 WeakPolarHBondContact O-CA 2.94Å; R867-Y883 WeakPolarHBondContact O-CD1 3.36Å; K868-Y883 VanDerWaalsContact CA-CD1 3.43Å; K868-Y883 HydrophobicContact CB-CD1 4.02Å; K868-Y883 HydrophobicContact CB-CE1 3.52Å; K868-Y883 HydrophobicContact CG-CE1 4.29Å; K868-Y883 HydrophobicContact CG-CE2 4.48Å; K868-Y883 VanDerWaalsContact N-CD1 3.32Å; T881-Y883 HydrophobicContact CG2-CD2 3.85Å; T881-Y883 HydrophobicContact CG2-CE2 3.43Å; T881-Y883 VanDerWaalsContact CG2-CE2 3.43Å; Y883-F895 CarbonylContact O-C 3.47Å; Y883-F895 WeakPolarHBondContact O-CA 3.43Å; Y883-V896 PolarHBondContact N-O 3.12Å; Y883-V896 PolarHBondContact O-N 3.12Å; Y883-V898 HydrophobicContact CD2-CB 3.6Å; Y883-V898 HydrophobicContact CD2-CG1 4.43Å; Y883-V898 HydrophobicContact CD2-CG2 3.4Å; Y883-V898 VanDerWaalsContact CD2-CG2 3.4Å; Y883-V898 HydrophobicContact CE2-CB 3.95Å; Y883-V898 HydrophobicContact CE2-CG1 4.4Å; Y883-V898 HydrophobicContact CE2-CG2 4.18Å; Y883-V898 HydrophobicContact CG-CB 4.48Å; Y883-V898 HydrophobicContact CG-CG2 3.83Å
884Q84.1Confident77.4Confident16 Ų1635.3 Ų35.38%0.07520%0.195CC..EExtended strand (participates in β ladder)trans-97.7122.1158.9-170.4-178.319.200107.8R867 M869 G891 G893 E894 F895R867-Q884 HydrophobicContact CB-CB 4.42Å; R867-Q884 PolarHBondContact N-O 2.8Å; R867-Q884 PolarHBondContact O-N 3.49Å; M869-Q884 HydrophobicContact CG-CB 4.44Å; M869-Q884 HydrophobicContact SD-CB 4.13Å; Q884-G891 PolarHBondContact NE2-O 2.76Å; Q884-G891 VanDerWaalsContact NE2-O 3.17Å; Q884-G893 WeakPolarHBondContact CG-O 3.41Å; Q884-G893 PolarHBondContact NE2-O 3.08Å; Q884-G893 VanDerWaalsContact NE2-O 3.07Å; Q884-E894 CarbonylContact C-O 3.53Å; Q884-E894 WeakPolarHBondContact CA-O 3.24Å; Q884-F895 HydrophobicContact CB-CD1 4.19Å; Q884-F895 HydrophobicContact CB-CE1 3.93Å; Q884-F895 HydrophobicContact CG-CE1 4.2Å; Q884-F895 HydrophobicContact CG-CZ 4.4Å
885Y84.1Confident77.5Confident27 Ų2730.6 Ų30.611%0.10617%0.173CC..EExtended strand (participates in β ladder)trans-95107.3175-178.6-117.6000110V860 F861 Q862 Y865 L866 P887 G893 E894V860-Y885 PolarHBondContact O-OH 2.58Å; F861-Y885 WeakPolarHBondContact CA-OH 3.1Å; F861-Y885 HydrophobicContact CB-CD2 4.44Å; F861-Y885 HydrophobicContact CB-CE2 3.98Å; F861-Y885 AromaticContact CD1-CD1 3.37Å; F861-Y885 HydrophobicContact CD1-CD1 3.37Å; F861-Y885 AromaticContact CD1-CD2 3.62Å; F861-Y885 HydrophobicContact CD1-CD2 3.62Å; F861-Y885 AromaticContact CD1-CE1 3.54Å; F861-Y885 HydrophobicContact CD1-CE1 3.54Å; F861-Y885 AromaticContact CD1-CE2 3.78Å; F861-Y885 HydrophobicContact CD1-CE2 3.78Å; F861-Y885 AromaticContact CD1-CG 3.39Å; F861-Y885 HydrophobicContact CD1-CG 3.39Å; F861-Y885 AromaticContact CD1-CZ 3.75Å; F861-Y885 AromaticContact CE1-CD1 3.36Å; F861-Y885 HydrophobicContact CE1-CD1 3.36Å; F861-Y885 HydrophobicContact CE1-CD2 4.38Å; F861-Y885 AromaticContact CE1-CE1 3.77Å; F861-Y885 HydrophobicContact CE1-CE1 3.77Å; F861-Y885 AromaticContact CE1-CG 3.69Å; F861-Y885 HydrophobicContact CE1-CG 3.69Å; F861-Y885 HydrophobicContact CG-CD1 4.45Å; F861-Y885 HydrophobicContact CG-CD2 4.48Å; F861-Y885 HydrophobicContact CG-CE1 4.23Å; F861-Y885 HydrophobicContact CG-CE2 4.27Å; F861-Y885 HydrophobicContact CZ-CD1 4.44Å; Q862-Y885 PolarHBondContact N-OH 2.7Å; Y865-Y885 HydrophobicContact CD2-CE2 4.2Å; Y865-Y885 HydrophobicContact CG-CE2 4.44Å; Y865-Y885 WeakPolarHBondContact O-CA 3.39Å; L866-Y885 HydrophobicContact CD2-CD2 3.66Å; L866-Y885 HydrophobicContact CD2-CG 4.17Å; L866-Y885 HydrophobicContact CG-CD2 3.94Å; Y885-P887 HydrophobicContact CD1-CG 3.91Å; Y885-P887 HydrophobicContact CE1-CG 3.38Å; Y885-P887 HydrophobicContact CE2-CG 4.32Å; Y885-P887 WeakPolarHBondContact O-CD 3.35Å; Y885-G893 CarbonylContact O-C 3.46Å; Y885-G893 WeakPolarHBondContact O-CA 3.46Å; Y885-E894 PolarHBondContact N-O 3.29Å; Y885-E894 PolarHBondContact O-N 3.26Å
886D79.8Confident78.4Confident0 Ų030 Ų300%017%0.166CC..  trans-12777.5-168.7-17718.1000112Y865 R867 S888 S889 D890 G891Y865-D886 PolarHBondContact O-N 3.48Å; R867-D886 IonicContact CZ-OD2 2.85Å; R867-D886 IonicContact NE-OD2 3.66Å; R867-D886 IonicContact NH1-OD2 3.48Å; R867-D886 PolarHBondContact NH1-OD2 2.7Å; R867-D886 IonicContact NH2-OD2 3.39Å; R867-D886 PolarHBondContact NH2-OD2 2.56Å; D886-S888 VanDerWaalsContact C-N 3.29Å; D886-S888 PolarHBondContact O-N 2.78Å; D886-S889 PolarHBondContact O-N 2.81Å; D886-S889 VanDerWaalsContact O-N 3.12Å; D886-S889 PolarHBondContact OD1-N 2.87Å; D886-S889 VanDerWaalsContact OD1-N 3.12Å; D886-S889 VanDerWaalsContact OD2-C 3.27Å; D886-S889 VanDerWaalsContact OD2-CA 3.29Å; D886-S889 WeakPolarHBondContact OD2-CA 3.46Å; D886-D890 PolarHBondContact OD1-N 2.79Å; D886-D890 PolarHBondContact OD2-N 2.84Å; D886-G891 PolarHBondContact OD1-N 2.8Å; D886-G891 WeakPolarHBondContact OD2-CA 3.46Å; D886-G891 PolarHBondContact OD2-N 2.64Å
887P73.9Confident79.3Confident55 Ų5527.5 Ų27.536%0.35716%0.156SC..THydrogen-bonded Turntrans-57.7-39.3-179.7-26.136.2000114.1Y865 Y885 S889Y865-P887 HydrophobicContact CD2-CB 4.01Å; Y865-P887 HydrophobicContact CD2-CG 4.34Å; Y865-P887 WeakPolarHBondContact CE1-O 3.13Å; Y865-P887 HydrophobicContact CE2-CB 4.21Å; Y865-P887 VanDerWaalsContact CG-CA 3.48Å; Y865-P887 HydrophobicContact CG-CB 4.31Å; Y885-P887 HydrophobicContact CD1-CG 3.91Å; Y885-P887 HydrophobicContact CE1-CG 3.38Å; Y885-P887 HydrophobicContact CE2-CG 4.32Å; Y885-P887 WeakPolarHBondContact O-CD 3.35Å; P887-S889 PolarHBondContact O-N 3.4Å
888S67.3Low80.2Confident66 Ų6626 Ų2646%0.46215%0.149SC..THydrogen-bonded Turntrans-76-12-179.4-55.30000112.5D886 D890D886-S888 VanDerWaalsContact C-N 3.29Å; D886-S888 PolarHBondContact O-N 2.78Å; S888-D890 VanDerWaalsContact CB-CG 3.44Å; S888-D890 VanDerWaalsContact CB-OD2 3.22Å; S888-D890 WeakPolarHBondContact CB-OD2 3.05Å; S888-D890 PolarHBondContact O-N 2.97Å; S888-D890 VanDerWaalsContact O-N 3.11Å
889S69.4Low80.9Confident69 Ų6926.1 Ų26.148%0.48315%0.15SC..SBendtrans5719.7-178.3-63.60000114.4R867 D886 P887R867-S889 PolarHBondContact NH2-O 2.85Å; D886-S889 PolarHBondContact O-N 2.81Å; D886-S889 VanDerWaalsContact O-N 3.12Å; D886-S889 PolarHBondContact OD1-N 2.87Å; D886-S889 VanDerWaalsContact OD1-N 3.12Å; D886-S889 VanDerWaalsContact OD2-C 3.27Å; D886-S889 VanDerWaalsContact OD2-CA 3.29Å; D886-S889 WeakPolarHBondContact OD2-CA 3.46Å; P887-S889 PolarHBondContact O-N 3.4Å
890D67.4Low80.8Confident41 Ų4124.8 Ų24.822%0.21915%0.147CC..SBendtrans-103.55.1-174.161.27.8000112.6R716 D886 S888 T892R716-D890 WeakPolarHBondContact CD-OD2 3.48Å; R716-D890 IonicContact CZ-OD2 2.87Å; R716-D890 IonicContact NE-OD2 2.66Å; R716-D890 IonicContact NH1-OD2 2.71Å; R716-D890 PolarHBondContact NH1-OD2 3.01Å; D886-D890 PolarHBondContact OD1-N 2.79Å; D886-D890 PolarHBondContact OD2-N 2.84Å; S888-D890 VanDerWaalsContact CB-CG 3.44Å; S888-D890 VanDerWaalsContact CB-OD2 3.22Å; S888-D890 WeakPolarHBondContact CB-OD2 3.05Å; S888-D890 PolarHBondContact O-N 2.97Å; S888-D890 VanDerWaalsContact O-N 3.11Å; D890-T892 VanDerWaalsContact C-N 3.31Å; D890-T892 VanDerWaalsContact CG-OG1 3.32Å; D890-T892 VanDerWaalsContact OD1-CB 3.27Å; D890-T892 WeakPolarHBondContact OD1-CB 3.35Å; D890-T892 VanDerWaalsContact OD1-CG2 3.29Å; D890-T892 WeakPolarHBondContact OD1-CG2 2.91Å; D890-T892 PolarHBondContact OD1-N 3.06Å; D890-T892 PolarHBondContact OD1-OG1 3.07Å; D890-T892 PolarHBondContact OD2-OG1 2.88Å
891G67.6Low80.2Confident14 Ų1425.8 Ų25.814%0.14415%0.151CC..SBendtrans80.66.8-179.400000114.5Q884 D886 G893Q884-G891 PolarHBondContact NE2-O 2.76Å; Q884-G891 VanDerWaalsContact NE2-O 3.17Å; D886-G891 PolarHBondContact OD1-N 2.8Å; D886-G891 WeakPolarHBondContact OD2-CA 3.46Å; D886-G891 PolarHBondContact OD2-N 2.64Å; G891-G893 VanDerWaalsContact C-N 3.31Å
892T68.9Low79Confident20 Ų2031.1 Ų31.112%0.12317%0.174CC..  trans-86.2-4.6177.2660000113.3A715 R716 F726 D890A715-T892 HydrophobicContact CB-CG2 3.76Å; R716-T892 HydrophobicContact CB-CG2 4.11Å; F726-T892 HydrophobicContact CB-CG2 3.58Å; F726-T892 HydrophobicContact CD1-CG2 3.48Å; F726-T892 VanDerWaalsContact CD1-CG2 3.48Å; F726-T892 HydrophobicContact CD2-CG2 4.07Å; F726-T892 HydrophobicContact CE1-CG2 4.11Å; F726-T892 HydrophobicContact CG-CG2 3.43Å; F726-T892 VanDerWaalsContact CG-CG2 3.43Å; D890-T892 VanDerWaalsContact C-N 3.31Å; D890-T892 VanDerWaalsContact CG-OG1 3.32Å; D890-T892 VanDerWaalsContact OD1-CB 3.27Å; D890-T892 WeakPolarHBondContact OD1-CB 3.35Å; D890-T892 VanDerWaalsContact OD1-CG2 3.29Å; D890-T892 WeakPolarHBondContact OD1-CG2 2.91Å; D890-T892 PolarHBondContact OD1-N 3.06Å; D890-T892 PolarHBondContact OD1-OG1 3.07Å; D890-T892 PolarHBondContact OD2-OG1 2.88Å
893G71.2Confident77.6Confident7 Ų737.4 Ų37.47%0.07220%0.203CC..PPolyproline II helixtrans-56.8150.7-178.400000115.8Q884 Y885 G891Q884-G893 WeakPolarHBondContact CG-O 3.41Å; Q884-G893 PolarHBondContact NE2-O 3.08Å; Q884-G893 VanDerWaalsContact NE2-O 3.07Å; Y885-G893 CarbonylContact O-C 3.46Å; Y885-G893 WeakPolarHBondContact O-CA 3.46Å; G891-G893 VanDerWaalsContact C-N 3.31Å
894E79.4Confident75.6Confident66 Ų6644.2 Ų44.231%0.30824%0.236SC..EExtended strand (participates in β ladder)trans-84.3151.8-177.555.5164.2-143.900113.7F861 Q884 Y885 V896 K931F861-E894 WeakPolarHBondContact CE1-OE1 3.29Å; Q884-E894 CarbonylContact C-O 3.53Å; Q884-E894 WeakPolarHBondContact CA-O 3.24Å; Y885-E894 PolarHBondContact N-O 3.29Å; Y885-E894 PolarHBondContact O-N 3.26Å; E894-V896 HydrophobicContact CG-CG1 4.13Å; E894-V896 VanDerWaalsContact OE1-CG1 3.27Å; E894-V896 WeakPolarHBondContact OE1-CG1 3.44Å; E894-K931 IonicContact OE1-NZ 3.4Å; E894-K931 PolarHBondContact OE1-NZ 3.37Å; E894-K931 IonicContact OE2-NZ 3.17Å; E894-K931 PolarHBondContact OE2-NZ 3.2Å
895F83Confident73.5Confident30 Ų3050.8 Ų50.813%0.13227%0.272CS..EExtended strand (participates in β ladder)trans-85.2126.3175.2-69.6-75.4000111.9F644 M869 L882 Y883 Q884 Y948F644-F895 HydrophobicContact CB-CD2 4.47Å; F644-F895 HydrophobicContact CB-CE2 3.47Å; F644-F895 VanDerWaalsContact CB-CE2 3.47Å; F644-F895 HydrophobicContact CB-CZ 3.67Å; F644-F895 HydrophobicContact CD1-CE1 4.11Å; F644-F895 HydrophobicContact CD1-CE2 4.15Å; F644-F895 AromaticContact CD1-CZ 3.64Å; F644-F895 HydrophobicContact CD1-CZ 3.64Å; F644-F895 AromaticContact CD2-CD2 3.77Å; F644-F895 HydrophobicContact CD2-CD2 3.77Å; F644-F895 HydrophobicContact CD2-CE1 4.37Å; F644-F895 AromaticContact CD2-CE2 3.51Å; F644-F895 HydrophobicContact CD2-CE2 3.51Å; F644-F895 HydrophobicContact CD2-CG 4.32Å; F644-F895 AromaticContact CD2-CZ 3.83Å; F644-F895 HydrophobicContact CD2-CZ 3.83Å; F644-F895 HydrophobicContact CE1-CE1 4.23Å; F644-F895 HydrophobicContact CE1-CZ 4.21Å; F644-F895 HydrophobicContact CE2-CD1 4.47Å; F644-F895 HydrophobicContact CE2-CD2 4.25Å; F644-F895 HydrophobicContact CE2-CE1 4.48Å; F644-F895 HydrophobicContact CE2-CE2 4.28Å; F644-F895 HydrophobicContact CE2-CG 4.36Å; F644-F895 HydrophobicContact CE2-CZ 4.38Å; F644-F895 HydrophobicContact CG-CD2 4.18Å; F644-F895 HydrophobicContact CG-CE1 4.18Å; F644-F895 AromaticContact CG-CE2 3.43Å; F644-F895 HydrophobicContact CG-CE2 3.43Å; F644-F895 VanDerWaalsContact CG-CE2 3.43Å; F644-F895 AromaticContact CG-CZ 3.42Å; F644-F895 HydrophobicContact CG-CZ 3.42Å; F644-F895 VanDerWaalsContact CG-CZ 3.42Å; F644-F895 HydrophobicContact CZ-CE1 4.42Å; M869-F895 HydrophobicContact CE-CE1 3.74Å; M869-F895 HydrophobicContact CE-CZ 4.36Å; M869-F895 HydrophobicContact CG-CD1 4.17Å; M869-F895 HydrophobicContact CG-CE1 3.89Å; M869-F895 HydrophobicContact SD-CE1 4.02Å; L882-F895 HydrophobicContact CD1-CB 4.14Å; L882-F895 HydrophobicContact CD1-CD1 4.28Å; L882-F895 HydrophobicContact CG-CD1 4.45Å; Y883-F895 CarbonylContact O-C 3.47Å; Y883-F895 WeakPolarHBondContact O-CA 3.43Å; Q884-F895 HydrophobicContact CB-CD1 4.19Å; Q884-F895 HydrophobicContact CB-CE1 3.93Å; Q884-F895 HydrophobicContact CG-CE1 4.2Å; Q884-F895 HydrophobicContact CG-CZ 4.4Å; F895-Y948 HydrophobicContact CB-CD1 4.33Å
896V89.4Confident71.6Confident0 Ų052.7 Ų52.70%030%0.3CS..EExtended strand (participates in β ladder)trans-133.1147.4-176.5-62.10000111.7F861 L866 Y883 E894 V898 K931 I945F861-V896 HydrophobicContact CE1-CG1 4.2Å; L866-V896 HydrophobicContact CD2-CG2 3.97Å; Y883-V896 PolarHBondContact N-O 3.12Å; Y883-V896 PolarHBondContact O-N 3.12Å; E894-V896 HydrophobicContact CG-CG1 4.13Å; E894-V896 VanDerWaalsContact OE1-CG1 3.27Å; E894-V896 WeakPolarHBondContact OE1-CG1 3.44Å; V896-V898 HydrophobicContact CG2-CG2 3.96Å; V896-K931 HydrophobicContact CG1-CD 4.05Å; V896-I945 HydrophobicContact CB-CG2 3.67Å; V896-I945 HydrophobicContact CG1-CG2 3.96Å; V896-I945 HydrophobicContact CG2-CG2 3.89Å
897A91.4Very high70.2Confident6 Ų658.4 Ų58.45%0.0533%0.331CS..EExtended strand (participates in β ladder)trans-91.4119.8170.500000109.5L872 V880 M946L872-A897 HydrophobicContact CD1-CB 3.99Å; V880-A897 HydrophobicContact CG1-CB 4.16Å; A897-M946 HydrophobicContact CB-CB 4.33Å; A897-M946 HydrophobicContact CB-CE 4.29Å; A897-M946 PolarHBondContact N-O 2.78Å; A897-M946 PolarHBondContact O-N 3.48Å
898V90.8Very high69.2Low0 Ų057.8 Ų57.80%033%0.33CS..EExtended strand (participates in β ladder)trans-108.3117.1-178-175.90000109.4L866 V880 T881 Y883 V896 Q943 L944 I945L866-V898 HydrophobicContact CD1-CG2 4.37Å; L866-V898 HydrophobicContact CD2-CG2 4.22Å; V880-V898 WeakPolarHBondContact CA-O 3.22Å; T881-V898 PolarHBondContact N-O 3.27Å; T881-V898 PolarHBondContact O-N 3.38Å; Y883-V898 HydrophobicContact CD2-CB 3.6Å; Y883-V898 HydrophobicContact CD2-CG1 4.43Å; Y883-V898 HydrophobicContact CD2-CG2 3.4Å; Y883-V898 VanDerWaalsContact CD2-CG2 3.4Å; Y883-V898 HydrophobicContact CE2-CB 3.95Å; Y883-V898 HydrophobicContact CE2-CG1 4.4Å; Y883-V898 HydrophobicContact CE2-CG2 4.18Å; Y883-V898 HydrophobicContact CG-CB 4.48Å; Y883-V898 HydrophobicContact CG-CG2 3.83Å; V896-V898 HydrophobicContact CG2-CG2 3.96Å; V898-Q943 HydrophobicContact CG1-CB 3.95Å; V898-L944 WeakPolarHBondContact CA-O 3.3Å; V898-I945 HydrophobicContact CB-CD1 4.2Å; V898-I945 HydrophobicContact CG1-CD1 3.84Å; V898-I945 HydrophobicContact CG2-CD1 3.62Å
899K89.6Confident68.9Low3 Ų357.4 Ų57.41%0.01333%0.326CS..EExtended strand (participates in β ladder)trans-95.6122.3172.5-167.7177.9-169.8-168.50109.2K879 V880 W912 E915 L944 M946 D1009K879-K899 WeakPolarHBondContact O-CA 3.45Å; V880-K899 HydrophobicContact CG2-CB 4.16Å; V880-K899 HydrophobicContact CG2-CD 4.26Å; V880-K899 HydrophobicContact CG2-CG 3.9Å; K899-W912 HydrophobicContact CB-CH2 3.96Å; K899-W912 HydrophobicContact CD-CH2 3.99Å; K899-W912 HydrophobicContact CD-CZ3 3.84Å; K899-W912 HydrophobicContact CG-CH2 3.72Å; K899-W912 HydrophobicContact CG-CZ3 3.98Å; K899-W912 WeakPolarHBondContact O-CH2 3.38Å; K899-E915 IonicContact NZ-OE1 3.95Å; K899-E915 PolarHBondContact NZ-OE1 3.06Å; K899-E915 IonicContact NZ-OE2 2.8Å; K899-E915 PolarHBondContact NZ-OE2 3.49Å; K899-L944 HydrophobicContact CB-CB 4.31Å; K899-L944 PolarHBondContact N-O 3.38Å; K899-L944 PolarHBondContact O-N 2.79Å; K899-M946 HydrophobicContact CB-CE 3.8Å; K899-D1009 IonicContact NZ-OD1 3.88Å; K899-D1009 PolarHBondContact NZ-OD1 3.28Å
900S84.6Confident68.7Low26 Ų2661.8 Ų61.818%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-116141.2179.8-550000110.4G878 K879 Q943G878-S900 CarbonylContact C-O 3.45Å; G878-S900 VanDerWaalsContact CA-O 3.3Å; G878-S900 WeakPolarHBondContact CA-O 3.26Å; K879-S900 PolarHBondContact N-O 2.88Å; K879-S900 VanDerWaalsContact N-O 3.07Å; K879-S900 PolarHBondContact O-N 3.33Å; S900-Q943 PolarHBondContact OG-NE2 2.71Å
901L75.6Confident68.9Low49 Ų4960.3 Ų60.326%0.25733%0.334SS..EExtended strand (participates in β ladder)trans-65.1138.9176.7-160.891.7000110.8F877 Q903 P909 W912F877-L901 HydrophobicContact CB-CD1 4.21Å; F877-L901 WeakPolarHBondContact O-CA 3.38Å; L901-Q903 PolarHBondContact O-N 3.33Å; L901-P909 HydrophobicContact CD1-CG 4.3Å; L901-P909 HydrophobicContact CD2-CG 4.46Å; L901-W912 HydrophobicContact CD1-CB 3.84Å; L901-W912 HydrophobicContact CD1-CD2 3.83Å; L901-W912 HydrophobicContact CD1-CE3 4.09Å; L901-W912 HydrophobicContact CD1-CG 3.73Å
902K64.9Low69.4Low119 Ų11959.7 Ų59.752%0.51733%0.327SS..  trans-69.7110.8165.2-74.8174.8179.7-175.80108.1E874 F877 E904E874-K902 WeakPolarHBondContact OE2-CE 3.45Å; E874-K902 IonicContact OE2-NZ 2.68Å; E874-K902 PolarHBondContact OE2-NZ 3.16Å; F877-K902 PolarHBondContact O-N 2.83Å; F877-K902 VanDerWaalsContact O-N 3.15Å; K902-E904 PolarHBondContact O-N 3.11Å
903Q58.6Low70Confident133 Ų13362.2 Ų62.262%0.62134%0.338SS*.  trans-73.8119.2174.5-82.1-162.2-10.700110.8L901 E941L901-Q903 PolarHBondContact O-N 3.33Å; Q903-E941 PolarHBondContact NE2-OE1 3.22Å
904E45.9Very low70.5Confident181 Ų18166 Ų6685%0.84635%0.353SS*.SBendtrans-140114.1137.2-72.6-168166.800106.6K902K902-E904 PolarHBondContact O-N 3.11Å
905N41.6Very low70.8Confident154 Ų15463 Ų6382%0.82434%0.339SS*.SBendtrans80.873.1174-49.4-26.5000118.6N907N905-N907 VanDerWaalsContact C-N 3.31Å; N905-N907 PolarHBondContact O-N 3.23Å
906G44.6Very low71Confident68 Ų6861.8 Ų61.870%0.70133%0.333SS*.SBendtrans68.2-14.2130.600000121.7
907N48.6Very low70.7Confident120 Ų12067.6 Ų67.664%0.64236%0.361SS*.SBendtrans-140132.5173.8-85.8-31.6000110.4N905 P909N905-N907 VanDerWaalsContact C-N 3.31Å; N905-N907 PolarHBondContact O-N 3.23Å; N907-P909 WeakPolarHBondContact O-CD 3.15Å
908A53.6Low70.5Confident41 Ų4167.9 Ų67.934%0.33936%0.361SS..  trans-61.3125.1172.400000109.5Q910A908-Q910 PolarHBondContact O-N 3.28Å
909P61.8Low70.3Confident59 Ų5968 Ų6838%0.38336%0.362SS..  trans-54.9139.6176.3-22.630.5000110L901 N907 G911 W912L901-P909 HydrophobicContact CD1-CG 4.3Å; L901-P909 HydrophobicContact CD2-CG 4.46Å; N907-P909 WeakPolarHBondContact O-CD 3.15Å; P909-G911 PolarHBondContact O-N 3.28Å; P909-W912 WeakPolarHBondContact O-CB 3.25Å; P909-W912 PolarHBondContact O-N 3.38Å
910Q65Low70Confident160 Ų16072.2 Ų72.275%0.74838%0.38SS*.Hα-helixtrans-52.8-25.6174.7-71-177.6-1.700112.7A908 W912 K914A908-Q910 PolarHBondContact O-N 3.28Å; Q910-W912 VanDerWaalsContact C-N 3.34Å; Q910-K914 WeakPolarHBondContact O-CG 3.41Å; Q910-K914 PolarHBondContact O-N 3.3Å
911G71.1Confident69.9Low10 Ų1073.4 Ų73.410%0.10339%0.388CS..Hα-helixtrans-65-30.4174.200000114.5F877 P909 K914 E915F877-G911 WeakPolarHBondContact CE2-O 3.48Å; P909-G911 PolarHBondContact O-N 3.28Å; G911-K914 PolarHBondContact O-N 3Å; G911-E915 PolarHBondContact O-N 3.38Å
912W78.9Confident70.2Confident2 Ų271.2 Ų71.21%0.00838%0.377CS..Hα-helixtrans-68.8-48.2-178.7177.2-117.2000112.6F877 K899 L901 P909 Q910 K914 E915 I916 V942 L944F877-W912 HydrophobicContact CB-CE3 3.56Å; F877-W912 HydrophobicContact CB-CZ3 3.84Å; F877-W912 AromaticContact CD2-CE3 3.91Å; F877-W912 HydrophobicContact CD2-CE3 3.91Å; F877-W912 HydrophobicContact CG-CE3 4Å; K899-W912 HydrophobicContact CB-CH2 3.96Å; K899-W912 HydrophobicContact CD-CH2 3.99Å; K899-W912 HydrophobicContact CD-CZ3 3.84Å; K899-W912 HydrophobicContact CG-CH2 3.72Å; K899-W912 HydrophobicContact CG-CZ3 3.98Å; K899-W912 WeakPolarHBondContact O-CH2 3.38Å; L901-W912 HydrophobicContact CD1-CB 3.84Å; L901-W912 HydrophobicContact CD1-CD2 3.83Å; L901-W912 HydrophobicContact CD1-CE3 4.09Å; L901-W912 HydrophobicContact CD1-CG 3.73Å; P909-W912 WeakPolarHBondContact O-CB 3.25Å; P909-W912 PolarHBondContact O-N 3.38Å; Q910-W912 VanDerWaalsContact C-N 3.34Å; W912-K914 VanDerWaalsContact C-N 3.26Å; W912-K914 PolarHBondContact O-N 3.28Å; W912-E915 WeakPolarHBondContact CZ3-OE2 3.26Å; W912-E915 PolarHBondContact O-N 2.92Å; W912-I916 HydrophobicContact CD2-CD1 4.4Å; W912-I916 HydrophobicContact CZ2-CD1 4.3Å; W912-I916 PolarHBondContact O-N 3.15Å; W912-V942 WeakPolarHBondContact CZ2-O 3.25Å; W912-V942 PolarHBondContact NE1-O 3.45Å; W912-L944 HydrophobicContact CH2-CB 3.83Å; W912-L944 HydrophobicContact CZ2-CB 3.91Å
913M80.4Confident70.9Confident73 Ų7373.8 Ų73.836%0.3639%0.385SS..Hα-helixtrans-63.3-35.6175.5-69.9-58.7-63.600111.6I916 E917 V942M913-I916 WeakPolarHBondContact O-CB 3.48Å; M913-I916 PolarHBondContact O-N 3.18Å; M913-I916 HydrophobicContact SD-CD1 4.11Å; M913-E917 WeakPolarHBondContact O-CG 3.39Å; M913-E917 PolarHBondContact O-N 2.98Å; M913-V942 HydrophobicContact SD-CB 4.48Å; M913-V942 HydrophobicContact SD-CG1 4.46Å; M913-V942 HydrophobicContact SD-CG2 4.27Å
914K81.3Confident72.1Confident86 Ų8668.3 Ų68.337%0.37436%0.359SS..Hα-helixtrans-63.8-41.2173.9-73.1175.6-177.9174.70112.2Q910 G911 W912 I916 E917 I918Q910-K914 WeakPolarHBondContact O-CG 3.41Å; Q910-K914 PolarHBondContact O-N 3.3Å; G911-K914 PolarHBondContact O-N 3Å; W912-K914 VanDerWaalsContact C-N 3.26Å; W912-K914 PolarHBondContact O-N 3.28Å; K914-I916 VanDerWaalsContact C-N 3.3Å; K914-I916 PolarHBondContact O-N 3.39Å; K914-E917 PolarHBondContact O-N 3.14Å; K914-I918 WeakPolarHBondContact O-CB 3.48Å; K914-I918 WeakPolarHBondContact O-CD1 3.42Å; K914-I918 WeakPolarHBondContact O-CG1 3.27Å; K914-I918 PolarHBondContact O-N 3.4Å
915E86.3Confident73.8Confident3 Ų361.1 Ų61.11%0.01433%0.329CS..Hα-helixtrans-57.4-46.4174.6179.8174.2-163.400110.9F877 K899 G911 W912 I918 L919 F1010 G1011F877-E915 HydrophobicContact CD2-CB 4.33Å; F877-E915 VanDerWaalsContact CD2-OE2 3.28Å; F877-E915 WeakPolarHBondContact CD2-OE2 3.27Å; F877-E915 HydrophobicContact CE2-CB 4.27Å; K899-E915 IonicContact NZ-OE1 3.95Å; K899-E915 PolarHBondContact NZ-OE1 3.06Å; K899-E915 IonicContact NZ-OE2 2.8Å; K899-E915 PolarHBondContact NZ-OE2 3.49Å; G911-E915 PolarHBondContact O-N 3.38Å; W912-E915 WeakPolarHBondContact CZ3-OE2 3.26Å; W912-E915 PolarHBondContact O-N 2.92Å; E915-I918 PolarHBondContact O-N 3.27Å; E915-L919 WeakPolarHBondContact O-CB 3.43Å; E915-L919 PolarHBondContact O-N 3.24Å; E915-F1010 HydrophobicContact CG-CB 3.96Å; E915-F1010 PolarHBondContact OE1-N 3.23Å; E915-G1011 PolarHBondContact OE1-N 3.36Å
916I86.2Confident76.3Confident4 Ų454 Ų542%0.02129%0.29CS..Hα-helixtrans-59.5-50.1177.9-70.9160.3000111.2W912 M913 K914 I918 L919 K920 Y930 L933 V942 L944W912-I916 HydrophobicContact CD2-CD1 4.4Å; W912-I916 HydrophobicContact CZ2-CD1 4.3Å; W912-I916 PolarHBondContact O-N 3.15Å; M913-I916 WeakPolarHBondContact O-CB 3.48Å; M913-I916 PolarHBondContact O-N 3.18Å; M913-I916 HydrophobicContact SD-CD1 4.11Å; K914-I916 VanDerWaalsContact C-N 3.3Å; K914-I916 PolarHBondContact O-N 3.39Å; I916-I918 VanDerWaalsContact C-N 3.34Å; I916-I918 PolarHBondContact O-N 3.29Å; I916-L919 PolarHBondContact O-N 3.1Å; I916-K920 WeakPolarHBondContact O-CB 3.38Å; I916-K920 PolarHBondContact O-N 3.34Å; I916-Y930 HydrophobicContact CG2-CE2 4.41Å; I916-L933 HydrophobicContact CB-CD2 4.36Å; I916-L933 HydrophobicContact CD1-CD2 3.71Å; I916-L933 HydrophobicContact CG1-CD2 3.89Å; I916-L933 HydrophobicContact CG2-CD1 3.98Å; I916-L933 HydrophobicContact CG2-CD2 3.54Å; I916-L933 HydrophobicContact CG2-CG 4.21Å; I916-V942 HydrophobicContact CD1-CG1 3.78Å; I916-L944 HydrophobicContact CG1-CB 4.12Å; I916-L944 HydrophobicContact CG1-CD1 4.2Å; I916-L944 HydrophobicContact CG1-CD2 4.4Å; I916-L944 HydrophobicContact CG1-CG 4.47Å
917E84.6Confident78.6Confident123 Ų12350.9 Ų50.958%0.57526%0.258SS*.Hα-helixtrans-62.6-41-179.6-74.4175.1177.700112.1M913 K914 S921M913-E917 WeakPolarHBondContact O-CG 3.39Å; M913-E917 PolarHBondContact O-N 2.98Å; K914-E917 PolarHBondContact O-N 3.14Å; E917-S921 PolarHBondContact O-N 3.14Å
918I86.2Confident80.6Confident12 Ų1245.4 Ų45.46%0.06223%0.229CC..Hα-helixtrans-61.1-59.1175.7-69.8164.7000108.7K914 E915 I916 K920 S921 L922 Y987 F1010 T1013K914-I918 WeakPolarHBondContact O-CB 3.48Å; K914-I918 WeakPolarHBondContact O-CD1 3.42Å; K914-I918 WeakPolarHBondContact O-CG1 3.27Å; K914-I918 PolarHBondContact O-N 3.4Å; E915-I918 PolarHBondContact O-N 3.27Å; I916-I918 VanDerWaalsContact C-N 3.34Å; I916-I918 PolarHBondContact O-N 3.29Å; I918-K920 VanDerWaalsContact C-N 3.29Å; I918-K920 PolarHBondContact O-N 3.36Å; I918-S921 WeakPolarHBondContact O-CA 3.26Å; I918-S921 WeakPolarHBondContact O-CB 3.47Å; I918-S921 PolarHBondContact O-N 2.95Å; I918-S921 PolarHBondContact O-OG 2.96Å; I918-L922 HydrophobicContact CG2-CD1 3.87Å; I918-L922 HydrophobicContact CG2-CG 4.45Å; I918-L922 WeakPolarHBondContact O-CG 3.32Å; I918-L922 PolarHBondContact O-N 3.22Å; I918-Y987 HydrophobicContact CD1-CD1 4.45Å; I918-Y987 HydrophobicContact CD1-CE1 4.24Å; I918-Y987 HydrophobicContact CG1-CD1 4.31Å; I918-Y987 HydrophobicContact CG1-CE1 3.74Å; I918-Y987 HydrophobicContact CG2-CD1 4.47Å; I918-Y987 HydrophobicContact CG2-CE1 4.42Å; I918-F1010 HydrophobicContact CG2-CB 4.47Å; I918-F1010 HydrophobicContact CG2-CD1 4.2Å; I918-T1013 HydrophobicContact CD1-CG2 4.07Å; I918-T1013 HydrophobicContact CG2-CG2 4Å
919L87.2Confident82.2Confident2 Ų248.1 Ų48.11%0.0123%0.233CC..Hα-helixtrans-60.6-39-175.2-168.259.6000112.4E915 I916 S921 L922 I927 V928 L944 M946 F1010E915-L919 WeakPolarHBondContact O-CB 3.43Å; E915-L919 PolarHBondContact O-N 3.24Å; I916-L919 PolarHBondContact O-N 3.1Å; L919-S921 PolarHBondContact O-N 3.23Å; L919-L922 PolarHBondContact O-N 3.02Å; L919-L922 VanDerWaalsContact O-N 3.12Å; L919-I927 HydrophobicContact CD1-CG2 4.16Å; L919-V928 VanDerWaalsContact CD1-O 3.3Å; L919-V928 WeakPolarHBondContact CD1-O 3.26Å; L919-L944 HydrophobicContact CD2-CD1 4.45Å; L919-L944 HydrophobicContact CD2-CD2 4.02Å; L919-M946 HydrophobicContact CD2-CG 3.94Å; L919-M946 HydrophobicContact CD2-SD 3.89Å; L919-F1010 HydrophobicContact CD1-CD2 3.55Å; L919-F1010 HydrophobicContact CD1-CE2 3.44Å; L919-F1010 VanDerWaalsContact CD1-CE2 3.44Å; L919-F1010 HydrophobicContact CD1-CG 4.38Å; L919-F1010 HydrophobicContact CD1-CZ 4.22Å; L919-F1010 HydrophobicContact CG-CD2 4.5Å
920K84.2Confident83.4Confident92 Ų9247.1 Ų47.140%0.422%0.222SC..Hα-helixtrans-58.6-27.4174.3-179.2171.7-178.7170.90113.1I916 I918 Y923 Y930I916-K920 WeakPolarHBondContact O-CB 3.38Å; I916-K920 PolarHBondContact O-N 3.34Å; I918-K920 VanDerWaalsContact C-N 3.29Å; I918-K920 PolarHBondContact O-N 3.36Å; K920-Y923 WeakPolarHBondContact O-CE2 3.45Å; K920-Y923 PolarHBondContact O-OH 3.39Å; K920-Y930 HydrophobicContact CB-CD1 4.17Å; K920-Y930 HydrophobicContact CB-CD2 4.14Å; K920-Y930 HydrophobicContact CB-CE1 4.27Å; K920-Y930 HydrophobicContact CB-CE2 4.27Å; K920-Y930 HydrophobicContact CB-CG 4.09Å; K920-Y930 HydrophobicContact CD-CE1 4.03Å; K920-Y930 HydrophobicContact CG-CD1 4.04Å; K920-Y930 HydrophobicContact CG-CE1 3.88Å; K920-Y930 HydrophobicContact CG-CG 4.47Å
921S82.3Confident84.2Confident50 Ų5042.1 Ų42.135%0.3520%0.198SC..Hα-helixtrans-89.3-8.2179.777.90000114.4E917 I918 L919E917-S921 PolarHBondContact O-N 3.14Å; I918-S921 WeakPolarHBondContact O-CA 3.26Å; I918-S921 WeakPolarHBondContact O-CB 3.47Å; I918-S921 PolarHBondContact O-N 2.95Å; I918-S921 PolarHBondContact O-OG 2.96Å; L919-S921 PolarHBondContact O-N 3.23Å
922L80.4Confident84.8Confident4 Ų441.7 Ų41.72%0.02119%0.193CC..  trans-99.7127.7-174.1-61.1175.7000111.3I918 L919 I927 Y981 L982 K985 Y987 F1010I918-L922 HydrophobicContact CG2-CD1 3.87Å; I918-L922 HydrophobicContact CG2-CG 4.45Å; I918-L922 WeakPolarHBondContact O-CG 3.32Å; I918-L922 PolarHBondContact O-N 3.22Å; L919-L922 PolarHBondContact O-N 3.02Å; L919-L922 VanDerWaalsContact O-N 3.12Å; L922-I927 HydrophobicContact CB-CG2 4.25Å; L922-I927 HydrophobicContact CD1-CD1 4.39Å; L922-I927 HydrophobicContact CD1-CG2 4.42Å; L922-Y981 HydrophobicContact CB-CE1 4.33Å; L922-Y981 HydrophobicContact CD2-CE1 3.89Å; L922-L982 HydrophobicContact CD1-CD1 3.65Å; L922-L982 HydrophobicContact CD2-CD1 3.81Å; L922-L982 HydrophobicContact CG-CD1 4.4Å; L922-K985 HydrophobicContact CD2-CG 4.4Å; L922-Y987 HydrophobicContact CD2-CD2 4.19Å; L922-Y987 HydrophobicContact CD2-CE2 4.35Å; L922-F1010 HydrophobicContact CD1-CD1 3.88Å; L922-F1010 HydrophobicContact CD1-CE1 3.45Å; L922-F1010 VanDerWaalsContact CD1-CE1 3.45Å; L922-F1010 HydrophobicContact CD1-CZ 3.88Å
923Y81.1Confident85.2Confident173 Ų17343.4 Ų43.468%0.67820%0.202SC*.  trans-135.299.6178.6-61.7-88.5000109.3K920 Y981K920-Y923 WeakPolarHBondContact O-CE2 3.45Å; K920-Y923 PolarHBondContact O-OH 3.39Å; Y923-Y981 PolarHBondContact N-OH 2.94Å
924H82.3Confident85.3Confident17 Ų1740 Ų408%0.07919%0.185CC..  trans-154.6145.9-179.7-168.6-98.4000111.3R548 N926 I927 Y981R548-H924 PolarHBondContact NE-NE2 3.44Å; R548-H924 PolarHBondContact NH2-NE2 2.86Å; H924-N926 PolarHBondContact CE1-OD1 2.67Å; H924-N926 VanDerWaalsContact CE1-OD1 3.24Å; H924-N926 PolarHBondContact ND1-N 2.92Å; H924-N926 PolarHBondContact O-N 2.95Å; H924-I927 HydrophobicContact CB-CB 4.18Å; H924-I927 HydrophobicContact CB-CD1 4.07Å; H924-I927 HydrophobicContact CB-CG1 4.12Å; H924-I927 PolarHBondContact O-N 3.01Å; H924-I927 VanDerWaalsContact O-N 3.13Å; H924-I927 VanDerWaalsContact O-O 3.12Å; H924-Y981 HydrophobicContact CB-CD1 3.66Å; H924-Y981 HydrophobicContact CB-CE1 3.94Å; H924-Y981 HydrophobicContact CB-CG 4.02Å; H924-Y981 AromaticContact CD2-CG 3.73Å; H924-Y981 AromaticContact CG-CG 3.97Å
925S82Confident84.8Confident31 Ų3139.5 Ų39.522%0.21719%0.19CC..THydrogen-bonded Turntrans-58.9-32.8-179.749.90000113.4K1006S925-K1006 PolarHBondContact O-NZ 3.29Å
926N94.7Very high83.6Confident3 Ų342.3 Ų42.32%0.01620%0.203CC..THydrogen-bonded Turntrans-100.123.4179.6-51.4103.8000113.8H924 V1005 K1006 I1007H924-N926 PolarHBondContact CE1-OD1 2.67Å; H924-N926 VanDerWaalsContact CE1-OD1 3.24Å; H924-N926 PolarHBondContact ND1-N 2.92Å; H924-N926 PolarHBondContact O-N 2.95Å; N926-V1005 WeakPolarHBondContact CA-O 3.42Å; N926-V1005 WeakPolarHBondContact CB-O 3.17Å; N926-V1005 PolarHBondContact ND2-O 2.86Å; N926-K1006 CarbonylContact O-C 3.43Å; N926-K1006 WeakPolarHBondContact O-CA 3.45Å; N926-I1007 PolarHBondContact O-N 3.26Å
927I92.4Very high81.9Confident3 Ų347.2 Ų47.22%0.01524%0.244CC..BIsolated β-bridgetrans-129.1140.9171-67.7178.7000108.1L919 L922 H924 K929 Y981 I1007 F1010L919-I927 HydrophobicContact CD1-CG2 4.16Å; L922-I927 HydrophobicContact CB-CG2 4.25Å; L922-I927 HydrophobicContact CD1-CD1 4.39Å; L922-I927 HydrophobicContact CD1-CG2 4.42Å; H924-I927 HydrophobicContact CB-CB 4.18Å; H924-I927 HydrophobicContact CB-CD1 4.07Å; H924-I927 HydrophobicContact CB-CG1 4.12Å; H924-I927 PolarHBondContact O-N 3.01Å; H924-I927 VanDerWaalsContact O-N 3.13Å; H924-I927 VanDerWaalsContact O-O 3.12Å; I927-K929 PolarHBondContact O-N 3.27Å; I927-Y981 HydrophobicContact CD1-CD1 3.63Å; I927-Y981 HydrophobicContact CD1-CE1 4.04Å; I927-I1007 WeakPolarHBondContact CA-O 3.36Å; I927-F1010 HydrophobicContact CD1-CZ 4.48Å; I927-F1010 HydrophobicContact CG1-CZ 4.44Å; I927-F1010 HydrophobicContact CG2-CE2 3.91Å; I927-F1010 HydrophobicContact CG2-CZ 3.54Å
928V91.1Very high80.4Confident6 Ų645.6 Ų45.64%0.03626%0.26CS..PPolyproline II helixtrans-61.6132.1177.4176.30000110.6L919 M946 E947 L998 K1006 I1007L919-V928 VanDerWaalsContact CD1-O 3.3Å; L919-V928 WeakPolarHBondContact CD1-O 3.26Å; V928-M946 HydrophobicContact CG1-CB 4.02Å; V928-M946 HydrophobicContact CG1-CG 4.5Å; V928-M946 HydrophobicContact CG1-SD 4.38Å; V928-E947 WeakPolarHBondContact CA-OE1 3.46Å; V928-E947 HydrophobicContact CG1-CG 3.98Å; V928-L998 HydrophobicContact CG2-CD1 3.62Å; V928-L998 HydrophobicContact CG2-CG 4.34Å; V928-K1006 HydrophobicContact CG2-CB 4Å; V928-I1007 PolarHBondContact N-O 3.12Å
929K86Confident78.8Confident97 Ų9752.1 Ų52.142%0.42228%0.284SS..PPolyproline II helixtrans-75.7131.9-179.6-64.5175.7-172172.20112.2I927 M946 E947I927-K929 PolarHBondContact O-N 3.27Å; K929-M946 WeakPolarHBondContact O-CA 3.5Å; K929-E947 HydrophobicContact CB-CB 4.23Å; K929-E947 HydrophobicContact CB-CG 3.95Å; K929-E947 WeakPolarHBondContact CD-OE2 3.17Å; K929-E947 WeakPolarHBondContact CG-OE1 3.36Å; K929-E947 PolarHBondContact N-OE1 2.99Å; K929-E947 PolarHBondContact O-N 2.91Å
930Y87.1Confident77.2Confident38 Ų3859 Ų5915%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-68.9136.5162.2171.7-94.5000110.3I916 K920 G932 L933 L944I916-Y930 HydrophobicContact CG2-CE2 4.41Å; K920-Y930 HydrophobicContact CB-CD1 4.17Å; K920-Y930 HydrophobicContact CB-CD2 4.14Å; K920-Y930 HydrophobicContact CB-CE1 4.27Å; K920-Y930 HydrophobicContact CB-CE2 4.27Å; K920-Y930 HydrophobicContact CB-CG 4.09Å; K920-Y930 HydrophobicContact CD-CE1 4.03Å; K920-Y930 HydrophobicContact CG-CD1 4.04Å; K920-Y930 HydrophobicContact CG-CE1 3.88Å; K920-Y930 HydrophobicContact CG-CG 4.47Å; Y930-G932 WeakPolarHBondContact CE2-O 3.34Å; Y930-G932 VanDerWaalsContact CZ-CA 3.43Å; Y930-G932 WeakPolarHBondContact OH-CA 3.48Å; Y930-L933 HydrophobicContact CE2-CD2 4.33Å; Y930-L933 HydrophobicContact CE2-CG 4.34Å; Y930-L944 HydrophobicContact CD2-CD1 3.58Å; Y930-L944 HydrophobicContact CE2-CD1 3.78Å
931K82Confident76.3Confident56 Ų5657.2 Ų57.224%0.24331%0.309CS..EExtended strand (participates in β ladder)trans-112.4-40.6172.2-61.5-162.478.6-177.80113F861 E894 V896 I945F861-K931 HydrophobicContact CE2-CB 4.29Å; F861-K931 HydrophobicContact CZ-CB 4.17Å; E894-K931 IonicContact OE1-NZ 3.4Å; E894-K931 PolarHBondContact OE1-NZ 3.37Å; E894-K931 IonicContact OE2-NZ 3.17Å; E894-K931 PolarHBondContact OE2-NZ 3.2Å; V896-K931 HydrophobicContact CG1-CD 4.05Å; K931-I945 HydrophobicContact CB-CB 4.47Å; K931-I945 HydrophobicContact CB-CG2 4.14Å; K931-I945 PolarHBondContact N-O 3.19Å
932G85.1Confident76Confident0 Ų056.2 Ų56.20%030%0.3CS..EExtended strand (participates in β ladder)trans174.9-169.8-175.300000114S859 Y930 I945S859-G932 CarbonylContact O-C 3.52Å; S859-G932 WeakPolarHBondContact O-CA 3.44Å; Y930-G932 WeakPolarHBondContact CE2-O 3.34Å; Y930-G932 VanDerWaalsContact CZ-CA 3.43Å; Y930-G932 WeakPolarHBondContact OH-CA 3.48Å; G932-I945 PolarHBondContact N-O 3.21Å; G932-I945 WeakPolarHBondContact O-CB 3.17Å; G932-I945 PolarHBondContact O-N 3.42Å
933L86.1Confident76.4Confident39 Ų3956.7 Ų56.720%0.20430%0.303CS..EExtended strand (participates in β ladder)trans-123.3144.6173.8-64.5169.7000110.6S859 F861 I916 Y930 V942 Q943 L944S859-L933 PolarHBondContact O-N 3.45Å; F861-L933 PolarHBondContact N-O 2.81Å; I916-L933 HydrophobicContact CB-CD2 4.36Å; I916-L933 HydrophobicContact CD1-CD2 3.71Å; I916-L933 HydrophobicContact CG1-CD2 3.89Å; I916-L933 HydrophobicContact CG2-CD1 3.98Å; I916-L933 HydrophobicContact CG2-CD2 3.54Å; I916-L933 HydrophobicContact CG2-CG 4.21Å; Y930-L933 HydrophobicContact CE2-CD2 4.33Å; Y930-L933 HydrophobicContact CE2-CG 4.34Å; L933-V942 HydrophobicContact CB-CG1 4.35Å; L933-V942 HydrophobicContact CD1-CG1 4.27Å; L933-V942 HydrophobicContact CD2-CG1 3.74Å; L933-V942 HydrophobicContact CG-CG1 4.33Å; L933-Q943 WeakPolarHBondContact CA-O 3.33Å; L933-L944 HydrophobicContact CD2-CD1 4.45Å
934C82.9Confident76.7Confident0 Ų048.5 Ų48.50%027%0.27CS..EExtended strand (participates in β ladder)trans-110.3122.2168.61710000110F861 K863 L866 Q943 I945F861-C934 HydrophobicContact CB-CB 3.91Å; F861-C934 VanDerWaalsContact O-CA 3.23Å; F861-C934 WeakPolarHBondContact O-CA 3.38Å; K863-C934 VanDerWaalsContact CA-SG 3.53Å; K863-C934 VanDerWaalsContact CB-SG 3.58Å; K863-C934 PolarHBondContact N-SG 3.35Å; L866-C934 HydrophobicContact CD1-CB 4.08Å; C934-Q943 HydrophobicContact CB-CB 4.1Å; C934-Q943 PolarHBondContact N-O 2.8Å; C934-Q943 PolarHBondContact O-N 3.13Å; C934-Q943 PolarHBondContact SG-OE1 2.76Å; C934-I945 HydrophobicContact CB-CD1 3.83Å; C934-I945 HydrophobicContact CB-CG1 4.22Å
935T70.8Confident77.1Confident77 Ų7747.7 Ų47.747%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-122130.4177.856.20000109.8V942T935-V942 HydrophobicContact CG2-CG2 4.26Å
936E62Low77.5Confident62 Ų6247.1 Ų47.129%0.2926%0.261SS..  trans-89.5126.3175.7-173.8168.4-164.100110.4K863 G938 R939K863-E936 HydrophobicContact CD-CB 4.18Å; K863-E936 HydrophobicContact CD-CG 4.3Å; K863-E936 WeakPolarHBondContact CD-OE2 3.41Å; K863-E936 IonicContact NZ-OE2 3.51Å; K863-E936 PolarHBondContact NZ-OE2 3.28Å; E936-G938 PolarHBondContact O-N 2.94Å; E936-R939 HydrophobicContact CB-CB 4.32Å; E936-R939 PolarHBondContact O-N 2.86Å; E936-R939 VanDerWaalsContact O-N 3.09Å; E936-R939 WeakPolarHBondContact OE2-CD 3.33Å
937A48.6Very low77.1Confident107 Ų10748.4 Ų48.488%0.88427%0.267SS*.THydrogen-bonded Turntrans-60113.9178.900000110.2
938G53.1Low76.9Confident88 Ų8849.6 Ų49.691%0.90727%0.271SS*.THydrogen-bonded Turntrans96.2-1.7-179.900000116E936E936-G938 PolarHBondContact O-N 2.94Å
939R53.7Low76.6Confident150 Ų15049.9 Ų49.957%0.56627%0.273SS*.SBendtrans-118.8148.9170.7-66.4-168-178.2-173.11.8111.6E936 E941E936-R939 HydrophobicContact CB-CB 4.32Å; E936-R939 PolarHBondContact O-N 2.86Å; E936-R939 VanDerWaalsContact O-N 3.09Å; E936-R939 WeakPolarHBondContact OE2-CD 3.33Å; R939-E941 IonicContact NH1-OE1 3.89Å; R939-E941 PolarHBondContact O-N 3.03Å
940Q54.3Low76.1Confident145 Ų14546.5 Ų46.568%0.67826%0.261SS*.  trans-81.213.7176.3-87.5178.6-44.900114V942Q940-V942 PolarHBondContact O-N 2.94Å
941E64.8Low75.7Confident56 Ų5646 Ų4626%0.26226%0.26SS..  trans-87.9110-179.6-75.4169.3-132.800111.1Q903 R939Q903-E941 PolarHBondContact NE2-OE1 3.22Å; R939-E941 IonicContact NH1-OE1 3.89Å; R939-E941 PolarHBondContact O-N 3.03Å
942V76.6Confident76Confident28 Ų2844.4 Ų44.417%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-95122.4169.7-1780000108.2W912 M913 I916 L933 T935 Q940W912-V942 WeakPolarHBondContact CZ2-O 3.25Å; W912-V942 PolarHBondContact NE1-O 3.45Å; M913-V942 HydrophobicContact SD-CB 4.48Å; M913-V942 HydrophobicContact SD-CG1 4.46Å; M913-V942 HydrophobicContact SD-CG2 4.27Å; I916-V942 HydrophobicContact CD1-CG1 3.78Å; L933-V942 HydrophobicContact CB-CG1 4.35Å; L933-V942 HydrophobicContact CD1-CG1 4.27Å; L933-V942 HydrophobicContact CD2-CG1 3.74Å; L933-V942 HydrophobicContact CG-CG1 4.33Å; T935-V942 HydrophobicContact CG2-CG2 4.26Å; Q940-V942 PolarHBondContact O-N 2.94Å
943Q87Confident76.3Confident15 Ų1545 Ų457%0.0726%0.264CS..EExtended strand (participates in β ladder)trans-103.7139.7173.7-59175.3-65.200110.1V898 S900 L933 C934V898-Q943 HydrophobicContact CG1-CB 3.95Å; S900-Q943 PolarHBondContact OG-NE2 2.71Å; L933-Q943 WeakPolarHBondContact CA-O 3.33Å; C934-Q943 HydrophobicContact CB-CB 4.1Å; C934-Q943 PolarHBondContact N-O 2.8Å; C934-Q943 PolarHBondContact O-N 3.13Å; C934-Q943 PolarHBondContact SG-OE1 2.76Å
944L88.3Confident76.7Confident0 Ų043.1 Ų43.10%025%0.254CS..EExtended strand (participates in β ladder)trans-92.7125179.8169.260.8000110.1V898 K899 W912 I916 L919 Y930 L933 M946V898-L944 WeakPolarHBondContact CA-O 3.3Å; K899-L944 HydrophobicContact CB-CB 4.31Å; K899-L944 PolarHBondContact N-O 3.38Å; K899-L944 PolarHBondContact O-N 2.79Å; W912-L944 HydrophobicContact CH2-CB 3.83Å; W912-L944 HydrophobicContact CZ2-CB 3.91Å; I916-L944 HydrophobicContact CG1-CB 4.12Å; I916-L944 HydrophobicContact CG1-CD1 4.2Å; I916-L944 HydrophobicContact CG1-CD2 4.4Å; I916-L944 HydrophobicContact CG1-CG 4.47Å; L919-L944 HydrophobicContact CD2-CD1 4.45Å; L919-L944 HydrophobicContact CD2-CD2 4.02Å; Y930-L944 HydrophobicContact CD2-CD1 3.58Å; Y930-L944 HydrophobicContact CE2-CD1 3.78Å; L933-L944 HydrophobicContact CD2-CD1 4.45Å; L944-M946 HydrophobicContact CD1-CG 4.29Å; L944-M946 HydrophobicContact CD2-CG 4.25Å; L944-M946 HydrophobicContact CD2-SD 3.98Å; L944-M946 HydrophobicContact CG-CG 3.91Å; L944-M946 HydrophobicContact CG-SD 4.21Å
945I90.1Very high77.1Confident0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans-103.1126.6178.4-44.4-62.7000109.4F861 L866 V896 V898 K931 G932 C934F861-I945 HydrophobicContact CB-CD1 4.36Å; F861-I945 HydrophobicContact CB-CG1 3.92Å; F861-I945 HydrophobicContact CD1-CG1 4.2Å; F861-I945 HydrophobicContact CD1-CG2 3.96Å; F861-I945 HydrophobicContact CD2-CB 4.19Å; F861-I945 HydrophobicContact CD2-CG1 3.89Å; F861-I945 HydrophobicContact CD2-CG2 4.3Å; F861-I945 HydrophobicContact CE1-CG2 3.83Å; F861-I945 HydrophobicContact CE2-CB 4.34Å; F861-I945 HydrophobicContact CE2-CG2 4.18Å; F861-I945 HydrophobicContact CG-CB 4.33Å; F861-I945 HydrophobicContact CG-CD1 4.46Å; F861-I945 HydrophobicContact CG-CG1 3.73Å; F861-I945 HydrophobicContact CG-CG2 4.22Å; F861-I945 HydrophobicContact CZ-CG2 3.96Å; L866-I945 HydrophobicContact CD1-CD1 4.24Å; V896-I945 HydrophobicContact CB-CG2 3.67Å; V896-I945 HydrophobicContact CG1-CG2 3.96Å; V896-I945 HydrophobicContact CG2-CG2 3.89Å; V898-I945 HydrophobicContact CB-CD1 4.2Å; V898-I945 HydrophobicContact CG1-CD1 3.84Å; V898-I945 HydrophobicContact CG2-CD1 3.62Å; K931-I945 HydrophobicContact CB-CB 4.47Å; K931-I945 HydrophobicContact CB-CG2 4.14Å; K931-I945 PolarHBondContact N-O 3.19Å; G932-I945 PolarHBondContact N-O 3.21Å; G932-I945 WeakPolarHBondContact O-CB 3.17Å; G932-I945 PolarHBondContact O-N 3.42Å; C934-I945 HydrophobicContact CB-CD1 3.83Å; C934-I945 HydrophobicContact CB-CG1 4.22Å
946M90.4Very high77.9Confident19 Ų1951.3 Ų51.39%0.09428%0.281CS..EExtended strand (participates in β ladder)trans-129.9163.9-176.4-57.2171.1-64.900110.5V880 A897 K899 L919 V928 K929 L944V880-M946 HydrophobicContact CG1-CE 4.13Å; A897-M946 HydrophobicContact CB-CB 4.33Å; A897-M946 HydrophobicContact CB-CE 4.29Å; A897-M946 PolarHBondContact N-O 2.78Å; A897-M946 PolarHBondContact O-N 3.48Å; K899-M946 HydrophobicContact CB-CE 3.8Å; L919-M946 HydrophobicContact CD2-CG 3.94Å; L919-M946 HydrophobicContact CD2-SD 3.89Å; V928-M946 HydrophobicContact CG1-CB 4.02Å; V928-M946 HydrophobicContact CG1-CG 4.5Å; V928-M946 HydrophobicContact CG1-SD 4.38Å; K929-M946 WeakPolarHBondContact O-CA 3.5Å; L944-M946 HydrophobicContact CD1-CG 4.29Å; L944-M946 HydrophobicContact CD2-CG 4.25Å; L944-M946 HydrophobicContact CD2-SD 3.98Å; L944-M946 HydrophobicContact CG-CG 3.91Å; L944-M946 HydrophobicContact CG-SD 4.21Å
947E87.5Confident79.1Confident30 Ų3048.5 Ų48.514%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-59.9141.9169.169.6-178.6154.200111.2V928 K929 V949 K1006V928-E947 WeakPolarHBondContact CA-OE1 3.46Å; V928-E947 HydrophobicContact CG1-CG 3.98Å; K929-E947 HydrophobicContact CB-CB 4.23Å; K929-E947 HydrophobicContact CB-CG 3.95Å; K929-E947 WeakPolarHBondContact CD-OE2 3.17Å; K929-E947 WeakPolarHBondContact CG-OE1 3.36Å; K929-E947 PolarHBondContact N-OE1 2.99Å; K929-E947 PolarHBondContact O-N 2.91Å; E947-V949 HydrophobicContact CG-CG2 4.15Å; E947-K1006 WeakPolarHBondContact OE1-CD 3.44Å; E947-K1006 VanDerWaalsContact OE1-CE 3.27Å; E947-K1006 WeakPolarHBondContact OE1-CE 3.47Å; E947-K1006 IonicContact OE1-NZ 2.71Å
948Y87.9Confident81.1Confident29 Ų2943.5 Ų43.511%0.11423%0.226CC..  trans-82.7126171.2169-123.9000110.1F644 R870 L872 L882 F895 P950F644-Y948 HydrophobicContact CE2-CE1 4.28Å; R870-Y948 PolarHBondContact NH2-OH 3.16Å; L872-Y948 HydrophobicContact CD1-CD2 3.91Å; L872-Y948 HydrophobicContact CD1-CE2 4.16Å; L872-Y948 HydrophobicContact CD2-CD2 4.41Å; L872-Y948 HydrophobicContact CD2-CE2 3.8Å; L882-Y948 HydrophobicContact CD1-CD1 3.91Å; L882-Y948 HydrophobicContact CD1-CD2 3.58Å; L882-Y948 HydrophobicContact CD1-CE1 4.31Å; L882-Y948 HydrophobicContact CD1-CE2 4.01Å; L882-Y948 HydrophobicContact CD1-CG 3.51Å; L882-Y948 HydrophobicContact CD2-CE1 4.29Å; L882-Y948 HydrophobicContact CD2-CE2 4.12Å; F895-Y948 HydrophobicContact CB-CD1 4.33Å; Y948-P950 HydrophobicContact CD1-CG 4.44Å; Y948-P950 HydrophobicContact CE1-CB 4.25Å; Y948-P950 HydrophobicContact CE1-CG 4.14Å
949V85.2Confident82.6Confident12 Ų1242.9 Ų42.97%0.07321%0.206CC..  trans-106.8107-179.6-173.30000109.7E947 Q951 G952 L998 V999 E1000 K1006E947-V949 HydrophobicContact CG-CG2 4.15Å; V949-Q951 PolarHBondContact O-N 3.46Å; V949-G952 PolarHBondContact O-N 2.94Å; V949-L998 HydrophobicContact CB-CB 4.14Å; V949-L998 HydrophobicContact CB-CD1 3.99Å; V949-L998 HydrophobicContact CG1-CB 3.79Å; V949-L998 HydrophobicContact CG2-CB 4.4Å; V949-L998 HydrophobicContact CG2-CD1 3.86Å; V949-V999 WeakPolarHBondContact CG1-O 3.4Å; V949-E1000 HydrophobicContact CG1-CB 4.18Å; V949-K1006 HydrophobicContact CG2-CD 4.4Å
950P73.8Confident83.8Confident26 Ų2643.3 Ų43.317%0.16921%0.212CC..THydrogen-bonded Turntrans-64.9-31.2-162.3-26.434.9000116.9Y948 G952Y948-P950 HydrophobicContact CD1-CG 4.44Å; Y948-P950 HydrophobicContact CE1-CB 4.25Å; Y948-P950 HydrophobicContact CE1-CG 4.14Å; P950-G952 VanDerWaalsContact C-N 3.34Å
951Q80.1Confident84.6Confident27 Ų2737.8 Ų37.813%0.12619%0.186CC..THydrogen-bonded Turntrans-90.24-173.1-49.4-75.5-66.200113.8V949 Y957 V999V949-Q951 PolarHBondContact O-N 3.46Å; Q951-Y957 HydrophobicContact CB-CD2 4.03Å; Q951-Y957 HydrophobicContact CB-CE2 4.21Å; Q951-V999 HydrophobicContact CB-CB 3.87Å; Q951-V999 HydrophobicContact CB-CG1 3.97Å; Q951-V999 WeakPolarHBondContact CB-O 3.5Å; Q951-V999 HydrophobicContact CG-CG1 4.36Å; Q951-V999 PolarHBondContact N-O 3.27Å
952G87.4Confident84.9Confident23 Ų2346.3 Ų46.324%0.23722%0.216CC..  trans68.3-158.3176.400000113.6V949 P950 L998 V999V949-G952 PolarHBondContact O-N 2.94Å; P950-G952 VanDerWaalsContact C-N 3.34Å; G952-L998 CarbonylContact O-C 3.53Å; G952-L998 VanDerWaalsContact O-CA 3.25Å; G952-L998 WeakPolarHBondContact O-CA 3.33Å; G952-V999 PolarHBondContact O-N 3.16Å
953S92.5Very high84.9Confident12 Ų1245.6 Ų45.68%0.08421%0.211CC..BIsolated β-bridgetrans-82.7154.8-177.469.50000113.4R955 E956 Y957 R995 V997S953-R955 PolarHBondContact O-N 3.14Å; S953-E956 PolarHBondContact O-N 3.1Å; S953-E956 PolarHBondContact OG-N 3.48Å; S953-Y957 VanDerWaalsContact O-CB 3.26Å; S953-Y957 WeakPolarHBondContact O-CB 3.37Å; S953-Y957 PolarHBondContact O-N 3.27Å; S953-R995 VanDerWaalsContact CB-O 3.24Å; S953-R995 WeakPolarHBondContact CB-O 3.18Å; S953-V997 CarbonylContact C-O 3.54Å; S953-V997 WeakPolarHBondContact CA-O 3.44Å
954L93Very high84.6Confident0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-56.2-34.5173.2-82.4178.7000111.8E956 Y957 L958 F971 I975 A994 V997 V999 V1005 I1062L954-E956 VanDerWaalsContact C-N 3.29Å; L954-E956 PolarHBondContact O-N 3.08Å; L954-Y957 HydrophobicContact CD2-CD1 4.46Å; L954-Y957 PolarHBondContact O-N 2.84Å; L954-L958 HydrophobicContact CB-CD1 4.3Å; L954-L958 HydrophobicContact CD2-CD1 4.21Å; L954-L958 HydrophobicContact CD2-CD2 4.28Å; L954-L958 HydrophobicContact CD2-CG 4.02Å; L954-L958 WeakPolarHBondContact O-CB 3.49Å; L954-L958 WeakPolarHBondContact O-CG 3.46Å; L954-L958 PolarHBondContact O-N 3.35Å; L954-F971 HydrophobicContact CD2-CD2 3.7Å; L954-F971 HydrophobicContact CD2-CE2 3.87Å; L954-F971 HydrophobicContact CD2-CG 4.4Å; L954-I975 HydrophobicContact CD1-CD1 4.19Å; L954-A994 HydrophobicContact CB-CB 4.22Å; L954-A994 WeakPolarHBondContact CB-O 3.47Å; L954-A994 PolarHBondContact N-O 3.5Å; L954-V997 HydrophobicContact CD1-CB 3.82Å; L954-V997 HydrophobicContact CD1-CG1 3.46Å; L954-V997 VanDerWaalsContact CD1-CG1 3.46Å; L954-V997 HydrophobicContact CG-CB 4.23Å; L954-V997 HydrophobicContact CG-CG1 3.98Å; L954-V997 PolarHBondContact N-O 3.21Å; L954-V999 HydrophobicContact CD2-CG2 3.48Å; L954-V999 VanDerWaalsContact CD2-CG2 3.48Å; L954-V999 HydrophobicContact CG-CG2 3.91Å; L954-V1005 HydrophobicContact CD1-CG1 4.41Å; L954-V1005 HydrophobicContact CD2-CG1 4.22Å; L954-V1005 HydrophobicContact CG-CG1 4.41Å; L954-I1062 HydrophobicContact CD1-CD1 4.08Å; L954-I1062 HydrophobicContact CD1-CG1 4.16Å
955R92.6Very high84.3Confident149 Ų14950.1 Ų50.156%0.56224%0.244SC*.Hα-helixtrans-58.1-39.2175.2-179.2178178-171.92.9112.8S953 P959 A994 R995S953-R955 PolarHBondContact O-N 3.14Å; R955-P959 WeakPolarHBondContact O-CD 3.23Å; R955-P959 VanDerWaalsContact O-CG 3.31Å; R955-P959 WeakPolarHBondContact O-CG 3.49Å; R955-A994 PolarHBondContact N-O 3.44Å; R955-R995 HydrophobicContact CB-CB 4.2Å
956E88Confident84Confident100 Ų10051.7 Ų51.747%0.46725%0.254SS..Hα-helixtrans-87.4-30178-67.5-179.2-170.200112.6S953 L954 K960S953-E956 PolarHBondContact O-N 3.1Å; S953-E956 PolarHBondContact OG-N 3.48Å; L954-E956 VanDerWaalsContact C-N 3.29Å; L954-E956 PolarHBondContact O-N 3.08Å; E956-K960 WeakPolarHBondContact O-CD 3.44Å; E956-K960 WeakPolarHBondContact O-CE 3.47Å; E956-K960 WeakPolarHBondContact O-CG 3.29Å
957Y87.3Confident83.7Confident2 Ų252.2 Ų52.21%0.00826%0.256CS..Hα-helixtrans-73.2-59.1-178.3-176.5-86.2000111R562 Q951 S953 L954 P959 K960 H961 F971 V999R562-Y957 PolarHBondContact NH1-OH 2.9Å; R562-Y957 PolarHBondContact NH2-OH 3.28Å; Q951-Y957 HydrophobicContact CB-CD2 4.03Å; Q951-Y957 HydrophobicContact CB-CE2 4.21Å; S953-Y957 VanDerWaalsContact O-CB 3.26Å; S953-Y957 WeakPolarHBondContact O-CB 3.37Å; S953-Y957 PolarHBondContact O-N 3.27Å; L954-Y957 HydrophobicContact CD2-CD1 4.46Å; L954-Y957 PolarHBondContact O-N 2.84Å; Y957-P959 VanDerWaalsContact C-CD 3.49Å; Y957-K960 PolarHBondContact O-N 2.87Å; Y957-H961 HydrophobicContact CD1-CB 4.43Å; Y957-H961 AromaticContact CD1-ND1 3.83Å; Y957-H961 AromaticContact CD2-CE1 3.37Å; Y957-H961 WeakPolarHBondContact CD2-CE1 3.27Å; Y957-H961 AromaticContact CD2-ND1 3.63Å; Y957-H961 AromaticContact CD2-NE2 3.94Å; Y957-H961 HydrophobicContact CE1-CB 4.04Å; Y957-H961 AromaticContact CE1-CG 3.9Å; Y957-H961 AromaticContact CE1-ND1 3.97Å; Y957-H961 AromaticContact CE2-CD2 3.95Å; Y957-H961 AromaticContact CE2-CE1 3.51Å; Y957-H961 AromaticContact CE2-ND1 3.81Å; Y957-H961 AromaticContact CE2-NE2 3.59Å; Y957-H961 AromaticContact CG-CE1 3.85Å; Y957-H961 AromaticContact CG-ND1 3.64Å; Y957-H961 AromaticContact CZ-CD2 3.89Å; Y957-H961 AromaticContact CZ-CG 3.83Å; Y957-H961 AromaticContact CZ-ND1 3.96Å; Y957-H961 PolarHBondContact O-N 3.28Å; Y957-H961 PolarHBondContact O-ND1 3.47Å; Y957-F971 HydrophobicContact CE1-CE2 4.26Å; Y957-F971 HydrophobicContact CE1-CZ 4.44Å; Y957-V999 HydrophobicContact CD1-CG2 4.18Å; Y957-V999 HydrophobicContact CD2-CB 4.16Å; Y957-V999 HydrophobicContact CD2-CG1 4.03Å; Y957-V999 HydrophobicContact CD2-CG2 4.12Å; Y957-V999 HydrophobicContact CE2-CB 4.49Å; Y957-V999 HydrophobicContact CE2-CG1 3.86Å; Y957-V999 HydrophobicContact CG-CB 4.41Å; Y957-V999 HydrophobicContact CG-CG1 4.48Å; Y957-V999 HydrophobicContact CG-CG2 3.86Å
958L89.3Confident83.8Confident2 Ų250.8 Ų50.81%0.0125%0.249CC..G310 helixtrans-57.3-39.6-169.6-68.4172.9000115.5L954 K960 H961 T963 F971 I1062 R1065L954-L958 HydrophobicContact CB-CD1 4.3Å; L954-L958 HydrophobicContact CD2-CD1 4.21Å; L954-L958 HydrophobicContact CD2-CD2 4.28Å; L954-L958 HydrophobicContact CD2-CG 4.02Å; L954-L958 WeakPolarHBondContact O-CB 3.49Å; L954-L958 WeakPolarHBondContact O-CG 3.46Å; L954-L958 PolarHBondContact O-N 3.35Å; L958-K960 PolarHBondContact O-N 3.45Å; L958-H961 PolarHBondContact O-N 3.38Å; L958-H961 VanDerWaalsContact O-O 3.07Å; L958-T963 HydrophobicContact CD2-CG2 4.15Å; L958-F971 HydrophobicContact CD2-CE2 4.42Å; L958-I1062 HydrophobicContact CD1-CB 4.32Å; L958-I1062 HydrophobicContact CD1-CG1 4.19Å; L958-I1062 HydrophobicContact CD1-CG2 4.44Å; L958-R1065 HydrophobicContact CB-CB 4.46Å
959P85.6Confident83.9Confident75 Ų7549.5 Ų49.549%0.48724%0.244SC..G310 helixtrans-65.7-23.8178.3-21.933.4000113.9R955 Y957 R1065 C1066R955-P959 WeakPolarHBondContact O-CD 3.23Å; R955-P959 VanDerWaalsContact O-CG 3.31Å; R955-P959 WeakPolarHBondContact O-CG 3.49Å; Y957-P959 VanDerWaalsContact C-CD 3.49Å; P959-R1065 WeakPolarHBondContact CG-O 3.34Å; P959-C1066 HydrophobicContact CG-CB 3.96Å
960K78.5Confident84.2Confident160 Ų16049.8 Ų49.870%0.69625%0.245SC*.G310 helixtrans-93.5-9.6-176.9-61.6176.7-171167.10113.1E956 Y957 L958E956-K960 WeakPolarHBondContact O-CD 3.44Å; E956-K960 WeakPolarHBondContact O-CE 3.47Å; E956-K960 WeakPolarHBondContact O-CG 3.29Å; Y957-K960 PolarHBondContact O-N 2.87Å; L958-K960 PolarHBondContact O-N 3.45Å
961H69.8Low85.2Confident28 Ų2848.5 Ų48.513%0.1324%0.237CC..SBendtrans-127.4134.2-170.3-61.586.1000111.7E560 R562 Y957 L958 T963E560-H961 IonicContact OE2-CD2 3.98Å; E560-H961 PolarHBondContact OE2-CD2 3.33Å; E560-H961 IonicContact OE2-CG 2.94Å; R562-H961 WeakPolarHBondContact CD-NE2 3.37Å; R562-H961 PolarHBondContact NE-CD2 3.22Å; R562-H961 PolarHBondContact NE-NE2 3.13Å; Y957-H961 HydrophobicContact CD1-CB 4.43Å; Y957-H961 AromaticContact CD1-ND1 3.83Å; Y957-H961 AromaticContact CD2-CE1 3.37Å; Y957-H961 WeakPolarHBondContact CD2-CE1 3.27Å; Y957-H961 AromaticContact CD2-ND1 3.63Å; Y957-H961 AromaticContact CD2-NE2 3.94Å; Y957-H961 HydrophobicContact CE1-CB 4.04Å; Y957-H961 AromaticContact CE1-CG 3.9Å; Y957-H961 AromaticContact CE1-ND1 3.97Å; Y957-H961 AromaticContact CE2-CD2 3.95Å; Y957-H961 AromaticContact CE2-CE1 3.51Å; Y957-H961 AromaticContact CE2-ND1 3.81Å; Y957-H961 AromaticContact CE2-NE2 3.59Å; Y957-H961 AromaticContact CG-CE1 3.85Å; Y957-H961 AromaticContact CG-ND1 3.64Å; Y957-H961 AromaticContact CZ-CD2 3.89Å; Y957-H961 AromaticContact CZ-CG 3.83Å; Y957-H961 AromaticContact CZ-ND1 3.96Å; Y957-H961 PolarHBondContact O-N 3.28Å; Y957-H961 PolarHBondContact O-ND1 3.47Å; L958-H961 PolarHBondContact O-N 3.38Å; L958-H961 VanDerWaalsContact O-O 3.07Å; H961-T963 PolarHBondContact O-N 3.05Å
962R71.6Confident85.9Confident236 Ų23647.2 Ų47.289%0.89123%0.231SC*.  trans-78.574.2172.4-68.8-172.8176.3-171.30.7109.6E560E560-R962 WeakPolarHBondContact OE1-CA 3.45Å; E560-R962 WeakPolarHBondContact OE1-CB 3.23Å; E560-R962 PolarHBondContact OE1-N 2.92Å
963T77.2Confident86.3Confident12 Ų1246.7 Ų46.77%0.07422%0.222CC..  trans-75.8135.1-179.5-62.50000109.3L958 H961 K967 F971 R1065L958-T963 HydrophobicContact CD2-CG2 4.15Å; H961-T963 PolarHBondContact O-N 3.05Å; T963-K967 HydrophobicContact CG2-CB 3.7Å; T963-K967 HydrophobicContact CG2-CD 3.86Å; T963-K967 HydrophobicContact CG2-CG 3.61Å; T963-F971 HydrophobicContact CG2-CE2 4.23Å; T963-R1065 VanDerWaalsContact C-NH1 3.26Å; T963-R1065 PolarHBondContact O-NH1 3.43Å; T963-R1065 PolarHBondContact O-NH2 3.2Å
964S81.5Confident86.4Confident65 Ų6546.6 Ų46.646%0.45522%0.22SC..  trans-71160.1175.168.70000111.3T966 K967 C968S964-T966 VanDerWaalsContact C-N 3.3Å; S964-T966 PolarHBondContact O-N 2.79Å; S964-K967 PolarHBondContact O-N 3.17Å; S964-K967 WeakPolarHBondContact OG-CB 3.39Å; S964-K967 PolarHBondContact OG-N 2.92Å; S964-C968 PolarHBondContact O-N 2.87Å
965S81.5Confident86.6Confident45 Ų4546.6 Ų46.632%0.31522%0.22SC..Hα-helixtrans-62.1-40174.8-58.20000111.1K967 C968 L969S965-K967 VanDerWaalsContact C-N 3.26Å; S965-K967 PolarHBondContact O-N 3.03Å; S965-C968 WeakPolarHBondContact O-CB 3.38Å; S965-C968 PolarHBondContact O-N 3Å; S965-C968 VanDerWaalsContact O-N 3.15Å; S965-L969 WeakPolarHBondContact O-CG 3.25Å; S965-L969 PolarHBondContact O-N 2.84Å
966T82.5Confident86.8Confident33 Ų3339.5 Ų39.520%0.20219%0.194CC..Hα-helixtrans-55.8-40.8173.8-50.20000112.3S964 L969 M970S964-T966 VanDerWaalsContact C-N 3.3Å; S964-T966 PolarHBondContact O-N 2.79Å; T966-L969 PolarHBondContact O-N 3.42Å; T966-M970 PolarHBondContact O-N 2.88Å
967K84.4Confident87.2Confident31 Ų3136.3 Ų36.314%0.13518%0.179CC..Hα-helixtrans-71.8-36.8178.5-176165.6165159.80112.4T963 S964 S965 L969 M970 F971 Q1002T963-K967 HydrophobicContact CG2-CB 3.7Å; T963-K967 HydrophobicContact CG2-CD 3.86Å; T963-K967 HydrophobicContact CG2-CG 3.61Å; S964-K967 PolarHBondContact O-N 3.17Å; S964-K967 WeakPolarHBondContact OG-CB 3.39Å; S964-K967 PolarHBondContact OG-N 2.92Å; S965-K967 VanDerWaalsContact C-N 3.26Å; S965-K967 PolarHBondContact O-N 3.03Å; K967-L969 VanDerWaalsContact C-N 3.33Å; K967-L969 PolarHBondContact O-N 3.49Å; K967-M970 HydrophobicContact CG-CE 3.95Å; K967-M970 WeakPolarHBondContact O-CB 3.44Å; K967-M970 PolarHBondContact O-N 2.89Å; K967-F971 HydrophobicContact CD-CZ 4.34Å; K967-F971 VanDerWaalsContact CE-CZ 3.41Å; K967-F971 HydrophobicContact CG-CE1 4.31Å; K967-F971 HydrophobicContact CG-CE2 4.12Å; K967-F971 HydrophobicContact CG-CZ 3.97Å; K967-F971 WeakPolarHBondContact O-CG 3.41Å; K967-F971 PolarHBondContact O-N 2.97Å; K967-Q1002 WeakPolarHBondContact CE-O 3.42Å; K967-Q1002 PolarHBondContact NZ-O 3.29Å
968C90.3Very high87.5Confident0 Ų036.2 Ų36.20%018%0.178CC..Hα-helixtrans-60.2-42.9169.8-89.60000112.6S964 S965 M970 F971 A972 I1062 R1065S964-C968 PolarHBondContact O-N 2.87Å; S965-C968 WeakPolarHBondContact O-CB 3.38Å; S965-C968 PolarHBondContact O-N 3Å; S965-C968 VanDerWaalsContact O-N 3.15Å; C968-M970 VanDerWaalsContact C-N 3.29Å; C968-M970 PolarHBondContact O-N 2.84Å; C968-F971 PolarHBondContact O-N 3.04Å; C968-A972 PolarHBondContact O-N 2.82Å; C968-I1062 HydrophobicContact CB-CG2 3.53Å; C968-I1062 WeakPolarHBondContact SG-CG2 3.23Å; C968-I1062 PolarHBondContact SG-O 3.33Å; C968-R1065 VanDerWaalsContact SG-CZ 3.56Å; C968-R1065 PolarHBondContact SG-NH1 2.92Å
969L90.3Very high87.9Confident1 Ų136.1 Ų36.11%0.00518%0.178CC..Hα-helixtrans-67.2-31.9176.7-62.5178.2000112.4S965 T966 K967 A972 Q973 V1112 F1137 V1140 R1141 F1144S965-L969 WeakPolarHBondContact O-CG 3.25Å; S965-L969 PolarHBondContact O-N 2.84Å; T966-L969 PolarHBondContact O-N 3.42Å; K967-L969 VanDerWaalsContact C-N 3.33Å; K967-L969 PolarHBondContact O-N 3.49Å; L969-A972 PolarHBondContact O-N 2.92Å; L969-Q973 WeakPolarHBondContact O-CB 3.21Å; L969-Q973 PolarHBondContact O-N 2.85Å; L969-V1112 HydrophobicContact CD1-CG2 4.03Å; L969-V1112 HydrophobicContact CD2-CB 4.39Å; L969-V1112 HydrophobicContact CD2-CG1 3.88Å; L969-V1112 HydrophobicContact CD2-CG2 3.55Å; L969-V1112 HydrophobicContact CG-CG2 4.45Å; L969-F1137 HydrophobicContact CD2-CD1 4.01Å; L969-F1137 HydrophobicContact CD2-CE1 3.9Å; L969-V1140 HydrophobicContact CD1-CG1 3.96Å; L969-R1141 HydrophobicContact CB-CG 3.8Å; L969-R1141 HydrophobicContact CD1-CG 4.46Å; L969-F1144 HydrophobicContact CD1-CD2 4.38Å
970M90.5Very high88.5Confident18 Ų1835.3 Ų35.39%0.08917%0.169CC..Hα-helixtrans-64.7-46.2171.3179.4-176.274.700111.8T966 K967 C968 A972 Q973 Q974 N1003 R1141T966-M970 PolarHBondContact O-N 2.88Å; K967-M970 HydrophobicContact CG-CE 3.95Å; K967-M970 WeakPolarHBondContact O-CB 3.44Å; K967-M970 PolarHBondContact O-N 2.89Å; C968-M970 VanDerWaalsContact C-N 3.29Å; C968-M970 PolarHBondContact O-N 2.84Å; M970-A972 VanDerWaalsContact C-N 3.33Å; M970-A972 PolarHBondContact O-N 2.8Å; M970-Q973 PolarHBondContact O-N 2.85Å; M970-Q974 PolarHBondContact O-N 3.09Å; M970-N1003 HydrophobicContact CE-CB 4.04Å; M970-N1003 HydrophobicContact SD-CB 4.36Å; M970-R1141 VanDerWaalsContact CB-CZ 3.46Å
971F94.6Very high89.3Confident0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-60.7-43.5175-65.3-23.9000111.3L954 Y957 L958 T963 K967 C968 Q973 Q974 I975 V1005L954-F971 HydrophobicContact CD2-CD2 3.7Å; L954-F971 HydrophobicContact CD2-CE2 3.87Å; L954-F971 HydrophobicContact CD2-CG 4.4Å; Y957-F971 HydrophobicContact CE1-CE2 4.26Å; Y957-F971 HydrophobicContact CE1-CZ 4.44Å; L958-F971 HydrophobicContact CD2-CE2 4.42Å; T963-F971 HydrophobicContact CG2-CE2 4.23Å; K967-F971 HydrophobicContact CD-CZ 4.34Å; K967-F971 VanDerWaalsContact CE-CZ 3.41Å; K967-F971 HydrophobicContact CG-CE1 4.31Å; K967-F971 HydrophobicContact CG-CE2 4.12Å; K967-F971 HydrophobicContact CG-CZ 3.97Å; K967-F971 WeakPolarHBondContact O-CG 3.41Å; K967-F971 PolarHBondContact O-N 2.97Å; C968-F971 PolarHBondContact O-N 3.04Å; F971-Q973 PolarHBondContact O-N 2.93Å; F971-Q974 PolarHBondContact O-N 3.37Å; F971-I975 VanDerWaalsContact O-CG1 3.27Å; F971-I975 WeakPolarHBondContact O-CG1 3.49Å; F971-I975 PolarHBondContact O-N 2.87Å; F971-V1005 HydrophobicContact CB-CG1 4.24Å; F971-V1005 HydrophobicContact CB-CG2 4.41Å; F971-V1005 HydrophobicContact CD1-CG1 3.46Å; F971-V1005 VanDerWaalsContact CD1-CG1 3.46Å; F971-V1005 HydrophobicContact CD1-CG2 4.45Å; F971-V1005 HydrophobicContact CD2-CG1 4.42Å; F971-V1005 HydrophobicContact CE1-CG1 3.76Å; F971-V1005 HydrophobicContact CG-CG1 3.81Å; F971-V1005 HydrophobicContact CZ-CG1 4.35Å
972A95.7Very high90.4Very high0 Ų027.7 Ų27.70%014%0.135CC..Hα-helixtrans-56.9-47.4174.200000111.9C968 L969 M970 Q974 I975 C976 F1055 L1059 F1137C968-A972 PolarHBondContact O-N 2.82Å; L969-A972 PolarHBondContact O-N 2.92Å; M970-A972 VanDerWaalsContact C-N 3.33Å; M970-A972 PolarHBondContact O-N 2.8Å; A972-Q974 VanDerWaalsContact C-N 3.35Å; A972-Q974 PolarHBondContact O-N 3.08Å; A972-I975 PolarHBondContact O-N 3.47Å; A972-C976 PolarHBondContact O-N 2.93Å; A972-C976 PolarHBondContact O-SG 3.38Å; A972-F1055 HydrophobicContact CB-CE2 4.3Å; A972-F1055 HydrophobicContact CB-CZ 4.09Å; A972-F1055 WeakPolarHBondContact O-CE2 3.16Å; A972-L1059 HydrophobicContact CB-CD1 3.7Å; A972-F1137 HydrophobicContact CB-CE1 4.37Å; A972-F1137 HydrophobicContact CB-CZ 4.33Å
973Q95Very high91.6Very high12 Ų1217.7 Ų17.76%0.05610%0.099CC..Hα-helixtrans-60.5-41.8177.2-172.2-175.88.300112.5L969 M970 F971 C976 Q977 I1134 F1137L969-Q973 WeakPolarHBondContact O-CB 3.21Å; L969-Q973 PolarHBondContact O-N 2.85Å; M970-Q973 PolarHBondContact O-N 2.85Å; F971-Q973 PolarHBondContact O-N 2.93Å; Q973-C976 WeakPolarHBondContact O-CB 3.45Å; Q973-C976 PolarHBondContact O-N 3.19Å; Q973-Q977 WeakPolarHBondContact O-CG 3.24Å; Q973-Q977 PolarHBondContact O-N 3.49Å; Q973-I1134 HydrophobicContact CG-CG2 4.3Å; Q973-I1134 PolarHBondContact NE2-O 2.85Å; Q973-F1137 HydrophobicContact CB-CB 4.01Å; Q973-F1137 HydrophobicContact CG-CB 4.24Å
974Q94.5Very high92.3Very high10 Ų1020.9 Ų20.95%0.04712%0.121CC..Hα-helixtrans-67.7-37.1178.3-78.6-175.6-17.600113M970 F971 A972 C976 Q977 G978 N1003 V1005M970-Q974 PolarHBondContact O-N 3.09Å; F971-Q974 PolarHBondContact O-N 3.37Å; A972-Q974 VanDerWaalsContact C-N 3.35Å; A972-Q974 PolarHBondContact O-N 3.08Å; Q974-C976 VanDerWaalsContact C-N 3.3Å; Q974-Q977 WeakPolarHBondContact O-CB 3.49Å; Q974-Q977 PolarHBondContact O-N 3.24Å; Q974-G978 PolarHBondContact O-N 2.97Å; Q974-N1003 VanDerWaalsContact CD-O 3.28Å; Q974-N1003 PolarHBondContact NE2-O 3.41Å; Q974-N1003 PolarHBondContact OE1-O 3.15Å; Q974-N1003 VanDerWaalsContact OE1-O 3.11Å; Q974-V1005 HydrophobicContact CB-CG2 3.68Å
975I97.8Very high92.6Very high0 Ų022.4 Ų22.40%012%0.12CC..Hα-helixtrans-60.2-45.1170.8-65.5161.2000109.3L954 F971 A972 Q977 G978 M979 L992 V997 V1005 I1007 F1055 T1058 I1062L954-I975 HydrophobicContact CD1-CD1 4.19Å; F971-I975 VanDerWaalsContact O-CG1 3.27Å; F971-I975 WeakPolarHBondContact O-CG1 3.49Å; F971-I975 PolarHBondContact O-N 2.87Å; A972-I975 PolarHBondContact O-N 3.47Å; I975-Q977 VanDerWaalsContact C-N 3.31Å; I975-Q977 PolarHBondContact O-N 3.38Å; I975-G978 PolarHBondContact O-N 3.43Å; I975-M979 HydrophobicContact CG2-CG 4.28Å; I975-M979 WeakPolarHBondContact O-CB 3.46Å; I975-M979 VanDerWaalsContact O-CG 3.32Å; I975-M979 WeakPolarHBondContact O-CG 3.38Å; I975-M979 PolarHBondContact O-N 3.18Å; I975-L992 HydrophobicContact CG2-CD1 3.89Å; I975-L992 HydrophobicContact CG2-CD2 4.13Å; I975-L992 HydrophobicContact CG2-CG 4.48Å; I975-V997 HydrophobicContact CD1-CG1 4.02Å; I975-V997 HydrophobicContact CD1-CG2 4.02Å; I975-V997 HydrophobicContact CG1-CG1 3.91Å; I975-V997 HydrophobicContact CG1-CG2 4.1Å; I975-V1005 HydrophobicContact CG1-CG2 4.09Å; I975-I1007 HydrophobicContact CG2-CD1 4.3Å; I975-F1055 HydrophobicContact CB-CD2 4.46Å; I975-F1055 HydrophobicContact CB-CE2 4.25Å; I975-F1055 HydrophobicContact CG2-CD2 3.85Å; I975-F1055 HydrophobicContact CG2-CE2 4.14Å; I975-T1058 HydrophobicContact CD1-CG2 4.29Å; I975-I1062 HydrophobicContact CD1-CD1 3.51Å
976C97.9Very high93.1Very high0 Ų023.5 Ų23.50%012%0.117CC..Hα-helixtrans-59.2-41174.9-58.10000112.2A972 Q973 Q974 M979 D980 F1055 F1130 L1133 I1134A972-C976 PolarHBondContact O-N 2.93Å; A972-C976 PolarHBondContact O-SG 3.38Å; Q973-C976 WeakPolarHBondContact O-CB 3.45Å; Q973-C976 PolarHBondContact O-N 3.19Å; Q974-C976 VanDerWaalsContact C-N 3.3Å; C976-M979 PolarHBondContact O-N 3.46Å; C976-D980 VanDerWaalsContact O-CB 3.26Å; C976-D980 WeakPolarHBondContact O-CB 3.28Å; C976-D980 PolarHBondContact O-N 2.99Å; C976-F1055 WeakPolarHBondContact SG-CE2 3.38Å; C976-F1055 WeakPolarHBondContact SG-CZ 3.38Å; C976-F1130 HydrophobicContact CB-CD1 3.86Å; C976-L1133 HydrophobicContact CB-CB 4.46Å; C976-I1134 HydrophobicContact CB-CD1 4.34Å; C976-I1134 HydrophobicContact CB-CG1 3.52Å
977Q94.8Very high93.7Very high33 Ų3323.9 Ų23.915%0.15412%0.115CC..Hα-helixtrans-62-43.8177.1-70.6168.6-16.700112.7Q973 Q974 I975 Y981 I1134Q973-Q977 WeakPolarHBondContact O-CG 3.24Å; Q973-Q977 PolarHBondContact O-N 3.49Å; Q974-Q977 WeakPolarHBondContact O-CB 3.49Å; Q974-Q977 PolarHBondContact O-N 3.24Å; I975-Q977 VanDerWaalsContact C-N 3.31Å; I975-Q977 PolarHBondContact O-N 3.38Å; Q977-Y981 PolarHBondContact O-N 3.31Å; Q977-I1134 HydrophobicContact CB-CD1 4.34Å; Q977-I1134 HydrophobicContact CG-CD1 3.81Å; Q977-I1134 HydrophobicContact CG-CG1 3.96Å; Q977-I1134 HydrophobicContact CG-CG2 4.17Å
978G94.3Very high94.2Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-64.9-41.2175.400000112.7Q974 I975 Y981 L982Q974-G978 PolarHBondContact O-N 2.97Å; I975-G978 PolarHBondContact O-N 3.43Å; G978-Y981 PolarHBondContact O-N 3.47Å; G978-L982 PolarHBondContact O-N 3.24Å
979M98.1Very high94.4Very high0 Ų022.4 Ų22.40%011%0.109CC..Hα-helixtrans-72-36.3179-69.8-60.5-60.100113.4I975 C976 Y981 L982 H983 H989 L992 I1007 D1051 F1130I975-M979 HydrophobicContact CG2-CG 4.28Å; I975-M979 WeakPolarHBondContact O-CB 3.46Å; I975-M979 VanDerWaalsContact O-CG 3.32Å; I975-M979 WeakPolarHBondContact O-CG 3.38Å; I975-M979 PolarHBondContact O-N 3.18Å; C976-M979 PolarHBondContact O-N 3.46Å; M979-Y981 VanDerWaalsContact C-N 3.32Å; M979-Y981 PolarHBondContact O-N 3.1Å; M979-L982 HydrophobicContact CE-CD2 4.22Å; M979-L982 WeakPolarHBondContact O-CB 3.4Å; M979-L982 PolarHBondContact O-N 2.95Å; M979-L982 HydrophobicContact SD-CD2 4.06Å; M979-H983 WeakPolarHBondContact O-CB 3.49Å; M979-H983 PolarHBondContact O-CD2 2.98Å; M979-H983 PolarHBondContact O-N 2.88Å; M979-H989 HydrophobicContact CE-CB 3.68Å; M979-H989 HydrophobicContact SD-CB 4.04Å; M979-L992 HydrophobicContact CE-CD2 4.13Å; M979-L992 HydrophobicContact CG-CD1 4.31Å; M979-L992 HydrophobicContact CG-CD2 3.8Å; M979-L992 HydrophobicContact SD-CD1 4.01Å; M979-L992 HydrophobicContact SD-CD2 3.98Å; M979-L992 HydrophobicContact SD-CG 4.47Å; M979-I1007 HydrophobicContact CG-CD1 3.75Å; M979-I1007 HydrophobicContact SD-CD1 3.9Å; M979-D1051 HydrophobicContact CE-CB 3.64Å; M979-D1051 VanDerWaalsContact CE-OD2 3.26Å; M979-D1051 WeakPolarHBondContact CE-OD2 3.44Å; M979-F1130 HydrophobicContact CB-CD1 3.9Å; M979-F1130 HydrophobicContact CB-CD2 3.52Å; M979-F1130 HydrophobicContact CB-CE1 3.82Å; M979-F1130 HydrophobicContact CB-CE2 3.45Å; M979-F1130 VanDerWaalsContact CB-CE2 3.45Å; M979-F1130 HydrophobicContact CB-CG 3.76Å; M979-F1130 HydrophobicContact CB-CZ 3.59Å; M979-F1130 HydrophobicContact CE-CE2 3.81Å; M979-F1130 HydrophobicContact CE-CZ 4.07Å; M979-F1130 HydrophobicContact CG-CE1 4.13Å; M979-F1130 HydrophobicContact CG-CE2 4.07Å; M979-F1130 HydrophobicContact CG-CZ 3.81Å
980D97.6Very high94.6Very high58 Ų5822.6 Ų22.631%0.3111%0.109SC..Hα-helixtrans-60.9-43.4172.7-170.666.2000110.9C976 H983 S984 F1130 S1131 I1134C976-D980 VanDerWaalsContact O-CB 3.26Å; C976-D980 WeakPolarHBondContact O-CB 3.28Å; C976-D980 PolarHBondContact O-N 2.99Å; D980-H983 PolarHBondContact O-N 3.23Å; D980-S984 PolarHBondContact O-N 3.08Å; D980-F1130 HydrophobicContact CB-CB 3.86Å; D980-S1131 WeakPolarHBondContact OD1-CB 3.1Å; D980-S1131 PolarHBondContact OD1-N 3.04Å; D980-S1131 VanDerWaalsContact OD1-N 3.14Å; D980-I1134 HydrophobicContact CB-CD1 3.9Å
981Y94.9Very high94.7Very high26 Ų2622 Ų2210%0.10211%0.107CC..Hα-helixtrans-60.7-46.5171.8171.8-97.7000111.8L922 Y923 H924 I927 Q977 G978 M979 H983 S984 K985L922-Y981 HydrophobicContact CB-CE1 4.33Å; L922-Y981 HydrophobicContact CD2-CE1 3.89Å; Y923-Y981 PolarHBondContact N-OH 2.94Å; H924-Y981 HydrophobicContact CB-CD1 3.66Å; H924-Y981 HydrophobicContact CB-CE1 3.94Å; H924-Y981 HydrophobicContact CB-CG 4.02Å; H924-Y981 AromaticContact CD2-CG 3.73Å; H924-Y981 AromaticContact CG-CG 3.97Å; I927-Y981 HydrophobicContact CD1-CD1 3.63Å; I927-Y981 HydrophobicContact CD1-CE1 4.04Å; Q977-Y981 PolarHBondContact O-N 3.31Å; G978-Y981 PolarHBondContact O-N 3.47Å; M979-Y981 VanDerWaalsContact C-N 3.32Å; M979-Y981 PolarHBondContact O-N 3.1Å; Y981-H983 VanDerWaalsContact C-N 3.32Å; Y981-H983 PolarHBondContact O-N 2.75Å; Y981-S984 WeakPolarHBondContact O-CB 3.47Å; Y981-S984 PolarHBondContact O-N 2.82Å; Y981-S984 PolarHBondContact O-OG 3.42Å; Y981-K985 HydrophobicContact CE1-CG 4.37Å; Y981-K985 HydrophobicContact CE2-CG 4.42Å; Y981-K985 PolarHBondContact O-N 2.94Å; Y981-K985 WeakPolarHBondContact OH-CE 3.32Å
982L94.4Very high94.9Very high2 Ų222.1 Ų22.11%0.0111%0.107CC..Hα-helixtrans-60.2-42.2179.1-170.365.9000111.9L922 G978 M979 K985 R986 Y987 H989 F1010L922-L982 HydrophobicContact CD1-CD1 3.65Å; L922-L982 HydrophobicContact CD2-CD1 3.81Å; L922-L982 HydrophobicContact CG-CD1 4.4Å; G978-L982 PolarHBondContact O-N 3.24Å; M979-L982 HydrophobicContact CE-CD2 4.22Å; M979-L982 WeakPolarHBondContact O-CB 3.4Å; M979-L982 PolarHBondContact O-N 2.95Å; M979-L982 HydrophobicContact SD-CD2 4.06Å; L982-K985 CarbonylContact O-C 3.58Å; L982-K985 WeakPolarHBondContact O-CB 3.37Å; L982-K985 PolarHBondContact O-N 3.46Å; L982-K985 VanDerWaalsContact O-N 3.16Å; L982-R986 PolarHBondContact O-N 3.47Å; L982-Y987 HydrophobicContact CD1-CD2 4.21Å; L982-Y987 HydrophobicContact CD1-CG 4.28Å; L982-Y987 PolarHBondContact O-N 3.4Å; L982-Y987 VanDerWaalsContact O-N 3.15Å; L982-H989 HydrophobicContact CD2-CB 3.72Å; L982-F1010 HydrophobicContact CD1-CE1 3.99Å; L982-F1010 HydrophobicContact CD2-CE1 4.23Å
983H95.4Very high94.9Very high25 Ų2522.1 Ų22.112%0.11611%0.107CC..Hα-helixtrans-67.8-34.8176-72.9-167.2000112.4M979 D980 Y981 K985 R986 Y987 F1048 D1051 F1130M979-H983 WeakPolarHBondContact O-CB 3.49Å; M979-H983 PolarHBondContact O-CD2 2.98Å; M979-H983 PolarHBondContact O-N 2.88Å; D980-H983 PolarHBondContact O-N 3.23Å; Y981-H983 VanDerWaalsContact C-N 3.32Å; Y981-H983 PolarHBondContact O-N 2.75Å; H983-K985 PolarHBondContact O-N 3.36Å; H983-R986 VanDerWaalsContact O-CA 3.3Å; H983-R986 WeakPolarHBondContact O-CA 3.47Å; H983-R986 PolarHBondContact O-N 3.08Å; H983-Y987 PolarHBondContact CD2-O 3.16Å; H983-Y987 VanDerWaalsContact CD2-O 3.24Å; H983-F1048 HydrophobicContact CB-CD1 4Å; H983-F1048 HydrophobicContact CB-CE1 4.33Å; H983-F1048 AromaticContact CD2-CD1 3.66Å; H983-F1048 AromaticContact CE1-CD1 3.96Å; H983-F1048 PolarHBondContact CE1-O 2.88Å; H983-F1048 AromaticContact CG-CD1 3.56Å; H983-F1048 AromaticContact ND1-CD1 3.77Å; H983-F1048 AromaticContact ND1-CG 3.91Å; H983-F1048 AromaticContact NE2-CD1 3.9Å; H983-D1051 IonicContact CD2-OD2 2.93Å; H983-D1051 IonicContact CE1-OD2 3.87Å; H983-D1051 IonicContact NE2-OD2 3.5Å; H983-D1051 PolarHBondContact NE2-OD2 3.45Å; H983-F1130 AromaticContact CE1-CD2 3.4Å; H983-F1130 VanDerWaalsContact CE1-CD2 3.4Å; H983-F1130 WeakPolarHBondContact CE1-CD2 3.46Å; H983-F1130 AromaticContact CE1-CE2 3.33Å; H983-F1130 WeakPolarHBondContact CE1-CE2 3.33Å; H983-F1130 AromaticContact ND1-CD2 3.53Å; H983-F1130 AromaticContact ND1-CE2 3.96Å; H983-F1130 AromaticContact NE2-CE2 3.84Å
984S91.9Very high94.9Very high79 Ų7921.5 Ų21.555%0.55210%0.104SC*.Hα-helixtrans-62.1-24172.883.10000112.9D980 Y981 R986D980-S984 PolarHBondContact O-N 3.08Å; Y981-S984 WeakPolarHBondContact O-CB 3.47Å; Y981-S984 PolarHBondContact O-N 2.82Å; Y981-S984 PolarHBondContact O-OG 3.42Å; S984-R986 VanDerWaalsContact C-N 3.31Å
985K89Confident94.9Very high98 Ų9824.4 Ų24.443%0.42612%0.115SC..THydrogen-bonded Turntrans-90.56.6171.7-59.2-58.8-178.1-177.80113.2L922 Y981 L982 H983 Y987L922-K985 HydrophobicContact CD2-CG 4.4Å; Y981-K985 HydrophobicContact CE1-CG 4.37Å; Y981-K985 HydrophobicContact CE2-CG 4.42Å; Y981-K985 PolarHBondContact O-N 2.94Å; Y981-K985 WeakPolarHBondContact OH-CE 3.32Å; L982-K985 CarbonylContact O-C 3.58Å; L982-K985 WeakPolarHBondContact O-CB 3.37Å; L982-K985 PolarHBondContact O-N 3.46Å; L982-K985 VanDerWaalsContact O-N 3.16Å; H983-K985 PolarHBondContact O-N 3.36Å; K985-Y987 VanDerWaalsContact C-N 3.26Å; K985-Y987 HydrophobicContact CB-CD2 3.63Å; K985-Y987 HydrophobicContact CB-CE2 3.95Å; K985-Y987 PolarHBondContact O-N 2.84Å
986R91.9Very high94.8Very high67 Ų6725 Ų2525%0.25312%0.118SC..THydrogen-bonded Turntrans58.329.5-177.4-55.5-169.263.585.5-0.3114.9L982 H983 S984 Y1015 I1016 P1017 E1020 F1048L982-R986 PolarHBondContact O-N 3.47Å; H983-R986 VanDerWaalsContact O-CA 3.3Å; H983-R986 WeakPolarHBondContact O-CA 3.47Å; H983-R986 PolarHBondContact O-N 3.08Å; S984-R986 VanDerWaalsContact C-N 3.31Å; R986-Y1015 HydrophobicContact CB-CD2 4.15Å; R986-Y1015 HydrophobicContact CB-CE2 3.72Å; R986-I1016 PolarHBondContact NE-O 2.94Å; R986-I1016 PolarHBondContact O-N 3.44Å; R986-P1017 PolarHBondContact NH2-O 3.25Å; R986-E1020 PolarHBondContact NH2-O 3.42Å; R986-F1048 HydrophobicContact CB-CZ 4.13Å; R986-F1048 HydrophobicContact CG-CZ 4.41Å
987Y94.3Very high94.7Very high41 Ų4125 Ų2516%0.16112%0.118CC..EExtended strand (participates in β ladder)trans-95.7141.1170.7-67.9-69.1000110.9I918 L922 L982 H983 K985 T1013 K1014 Y1015I918-Y987 HydrophobicContact CD1-CD1 4.45Å; I918-Y987 HydrophobicContact CD1-CE1 4.24Å; I918-Y987 HydrophobicContact CG1-CD1 4.31Å; I918-Y987 HydrophobicContact CG1-CE1 3.74Å; I918-Y987 HydrophobicContact CG2-CD1 4.47Å; I918-Y987 HydrophobicContact CG2-CE1 4.42Å; L922-Y987 HydrophobicContact CD2-CD2 4.19Å; L922-Y987 HydrophobicContact CD2-CE2 4.35Å; L982-Y987 HydrophobicContact CD1-CD2 4.21Å; L982-Y987 HydrophobicContact CD1-CG 4.28Å; L982-Y987 PolarHBondContact O-N 3.4Å; L982-Y987 VanDerWaalsContact O-N 3.15Å; H983-Y987 PolarHBondContact CD2-O 3.16Å; H983-Y987 VanDerWaalsContact CD2-O 3.24Å; K985-Y987 VanDerWaalsContact C-N 3.26Å; K985-Y987 HydrophobicContact CB-CD2 3.63Å; K985-Y987 HydrophobicContact CB-CE2 3.95Å; K985-Y987 PolarHBondContact O-N 2.84Å; Y987-T1013 HydrophobicContact CD1-CG2 4.11Å; Y987-T1013 HydrophobicContact CG-CG2 4.25Å; Y987-K1014 WeakPolarHBondContact CA-O 3.36Å; Y987-Y1015 HydrophobicContact CD1-CD2 4.27Å; Y987-Y1015 AromaticContact CE1-CD2 3.99Å; Y987-Y1015 HydrophobicContact CE1-CD2 3.99Å; Y987-Y1015 HydrophobicContact CE1-CG 4.33Å
988V94.6Very high94.6Very high0 Ų025.6 Ų25.60%012%0.122CC..EExtended strand (participates in β ladder)trans-106.8125.7167.6-176.30000107.9R990 T1013 K1014 I1016 F1046 F1048 D1051V988-R990 HydrophobicContact CB-CG 4.32Å; V988-R990 HydrophobicContact CG1-CG 3.78Å; V988-T1013 VanDerWaalsContact O-CA 3.3Å; V988-T1013 WeakPolarHBondContact O-CA 3.42Å; V988-T1013 WeakPolarHBondContact O-CG2 3.45Å; V988-K1014 PolarHBondContact N-O 3.06Å; V988-K1014 PolarHBondContact O-N 3.21Å; V988-I1016 HydrophobicContact CG2-CD1 3.25Å; V988-I1016 HydrophobicContact CG2-CG1 3.77Å; V988-F1046 HydrophobicContact CG1-CB 4.31Å; V988-F1048 HydrophobicContact CG2-CD1 3.86Å; V988-F1048 HydrophobicContact CG2-CE1 3.99Å; V988-D1051 WeakPolarHBondContact CA-OD2 3.43Å; V988-D1051 WeakPolarHBondContact CG1-OD1 3.36Å; V988-D1051 VanDerWaalsContact CG1-OD2 3.29Å; V988-D1051 WeakPolarHBondContact CG1-OD2 3.47Å
989H95.4Very high94.3Very high0 Ų025.6 Ų25.60%012%0.122CC..  trans-68.7-45.3-172.2-168.4-83.1000111.9M979 L982 D991 L992 I1007 G1008 D1009 F1010 L1012 T1013 D1051M979-H989 HydrophobicContact CE-CB 3.68Å; M979-H989 HydrophobicContact SD-CB 4.04Å; L982-H989 HydrophobicContact CD2-CB 3.72Å; H989-D991 PolarHBondContact CE1-O 3.32Å; H989-D991 VanDerWaalsContact CE1-O 3.3Å; H989-D991 PolarHBondContact ND1-N 3.12Å; H989-D991 VanDerWaalsContact ND1-N 3.15Å; H989-D991 PolarHBondContact ND1-O 3.38Å; H989-D991 PolarHBondContact O-N 3.06Å; H989-L992 PolarHBondContact ND1-N 3.4Å; H989-I1007 WeakPolarHBondContact NE2-CG2 3.46Å; H989-G1008 PolarHBondContact NE2-O 3.27Å; H989-D1009 PolarHBondContact CE1-O 3.13Å; H989-D1009 VanDerWaalsContact CE1-O 3.29Å; H989-F1010 AromaticContact CD2-CE1 3.86Å; H989-L1012 CarbonylContact O-C 3.43Å; H989-T1013 WeakPolarHBondContact O-CA 3.42Å; H989-T1013 PolarHBondContact O-N 3.18Å; H989-T1013 PolarHBondContact O-OG1 2.81Å; H989-D1051 PolarHBondContact N-OD1 3.38Å; H989-D1051 PolarHBondContact N-OD2 3.49Å
990R94Very high93.3Very high6 Ų627.9 Ų27.92%0.02313%0.133CC..SBendtrans63.8-8.2-179-55.5179.846.3-131.5-5.6116V988 L1012 Y1036 F1046 D1051V988-R990 HydrophobicContact CB-CG 4.32Å; V988-R990 HydrophobicContact CG1-CG 3.78Å; R990-L1012 HydrophobicContact CB-CB 4.03Å; R990-L1012 VanDerWaalsContact CD-O 3.28Å; R990-L1012 WeakPolarHBondContact CD-O 3.42Å; R990-L1012 PolarHBondContact NH1-O 2.92Å; R990-Y1036 VanDerWaalsContact O-CE1 3.29Å; R990-Y1036 WeakPolarHBondContact O-CE1 3.28Å; R990-F1046 HydrophobicContact CB-CD1 4.19Å; R990-F1046 HydrophobicContact CB-CE1 4.37Å; R990-F1046 HydrophobicContact CG-CB 4.22Å; R990-F1046 HydrophobicContact CG-CD1 3.6Å; R990-F1046 HydrophobicContact CG-CE1 4.22Å; R990-F1046 HydrophobicContact CG-CG 4.05Å; R990-D1051 PolarHBondContact N-OD1 3.32Å
991D93.8Very high92.1Very high6 Ų626.2 Ų26.23%0.03212%0.124CC..  trans-132.843.9172-160.211.3000114.3H989 A993 R995 N996 L1012 P1032H989-D991 PolarHBondContact CE1-O 3.32Å; H989-D991 VanDerWaalsContact CE1-O 3.3Å; H989-D991 PolarHBondContact ND1-N 3.12Å; H989-D991 VanDerWaalsContact ND1-N 3.15Å; H989-D991 PolarHBondContact ND1-O 3.38Å; H989-D991 PolarHBondContact O-N 3.06Å; D991-A993 PolarHBondContact O-N 3.2Å; D991-R995 IonicContact OD1-CZ 3.94Å; D991-R995 IonicContact OD1-NH1 2.55Å; D991-R995 IonicContact OD1-NH2 3.49Å; D991-R995 PolarHBondContact OD1-NH2 3.17Å; D991-R995 IonicContact OD2-CZ 2.68Å; D991-R995 IonicContact OD2-NH2 3.54Å; D991-R995 PolarHBondContact OD2-NH2 3.34Å; D991-N996 PolarHBondContact O-ND2 2.9Å; D991-N996 PolarHBondContact OD2-ND2 3.5Å; D991-L1012 HydrophobicContact CB-CB 4.36Å; D991-L1012 HydrophobicContact CB-CD1 4.1Å; D991-P1032 WeakPolarHBondContact OD1-CB 3.5Å; D991-P1032 WeakPolarHBondContact OD1-CG 3.35Å
992L97.2Very high90.7Very high1 Ų125.5 Ų25.51%0.00512%0.121CC..  trans-78.3110178.9-174.765.4000110.2I975 M979 H989 V997 I1007 W1035 F1055 T1058 F1130I975-L992 HydrophobicContact CG2-CD1 3.89Å; I975-L992 HydrophobicContact CG2-CD2 4.13Å; I975-L992 HydrophobicContact CG2-CG 4.48Å; M979-L992 HydrophobicContact CE-CD2 4.13Å; M979-L992 HydrophobicContact CG-CD1 4.31Å; M979-L992 HydrophobicContact CG-CD2 3.8Å; M979-L992 HydrophobicContact SD-CD1 4.01Å; M979-L992 HydrophobicContact SD-CD2 3.98Å; M979-L992 HydrophobicContact SD-CG 4.47Å; H989-L992 PolarHBondContact ND1-N 3.4Å; L992-V997 HydrophobicContact CD1-CG2 4.37Å; L992-I1007 HydrophobicContact CD1-CG2 4.32Å; L992-W1035 VanDerWaalsContact O-CD1 3.27Å; L992-F1055 HydrophobicContact CD2-CB 3.76Å; L992-F1055 HydrophobicContact CD2-CD2 4.46Å; L992-T1058 PolarHBondContact O-OG1 3.3Å; L992-T1058 VanDerWaalsContact O-OG1 3.07Å; L992-F1130 HydrophobicContact CD2-CZ 4.19Å
993A96.1Very high89.7Confident0 Ų026.7 Ų26.70%013%0.128CC..SBendtrans-153.4160.4179.700000111D991 R995 N996 V997 W1035 T1058D991-A993 PolarHBondContact O-N 3.2Å; A993-R995 HydrophobicContact CB-CG 4.18Å; A993-R995 PolarHBondContact O-N 3.42Å; A993-N996 PolarHBondContact O-N 2.86Å; A993-V997 PolarHBondContact O-N 3.46Å; A993-W1035 HydrophobicContact CB-CD2 4.24Å; A993-W1035 HydrophobicContact CB-CG 4.24Å; A993-W1035 HydrophobicContact CB-CZ2 4.46Å; A993-T1058 WeakPolarHBondContact CA-OG1 3.4Å
994A95.2Very high89.1Confident0 Ų025.6 Ų25.60%012%0.123CC..G310 helixtrans-61.5-22.2-177.800000114.1L954 R955 N996 E1061L954-A994 HydrophobicContact CB-CB 4.22Å; L954-A994 WeakPolarHBondContact CB-O 3.47Å; L954-A994 PolarHBondContact N-O 3.5Å; R955-A994 PolarHBondContact N-O 3.44Å; A994-N996 VanDerWaalsContact C-N 3.29Å; A994-N996 PolarHBondContact O-N 2.75Å; A994-E1061 HydrophobicContact CB-CB 3.95Å; A994-E1061 HydrophobicContact CB-CG 4.47Å; A994-E1061 PolarHBondContact N-OE2 3.05Å
995R94.1Very high89.1Confident70 Ų7021.9 Ų21.926%0.26410%0.097SC..G310 helixtrans-70.4-23.5173.669.7-178.7-172-78.4-5113.9S953 R955 D991 A993S953-R995 VanDerWaalsContact CB-O 3.24Å; S953-R995 WeakPolarHBondContact CB-O 3.18Å; R955-R995 HydrophobicContact CB-CB 4.2Å; D991-R995 IonicContact OD1-CZ 3.94Å; D991-R995 IonicContact OD1-NH1 2.55Å; D991-R995 IonicContact OD1-NH2 3.49Å; D991-R995 PolarHBondContact OD1-NH2 3.17Å; D991-R995 IonicContact OD2-CZ 2.68Å; D991-R995 IonicContact OD2-NH2 3.54Å; D991-R995 PolarHBondContact OD2-NH2 3.34Å; A993-R995 HydrophobicContact CB-CG 4.18Å; A993-R995 PolarHBondContact O-N 3.42Å
996N95.1Very high89.4Confident14 Ų1417.4 Ų17.48%0.0758%0.077CC..G310 helixtrans-103.64.8-177.8-68.2-15000112.3D991 A993 A994 G1008 D1009D991-N996 PolarHBondContact O-ND2 2.9Å; D991-N996 PolarHBondContact OD2-ND2 3.5Å; A993-N996 PolarHBondContact O-N 2.86Å; A994-N996 VanDerWaalsContact C-N 3.29Å; A994-N996 PolarHBondContact O-N 2.75Å; N996-G1008 PolarHBondContact O-N 2.69Å; N996-D1009 HydrophobicContact CB-CB 4.36Å
997V96.5Very high89.6Confident0 Ų014.3 Ų14.30%07%0.066CC..EExtended strand (participates in β ladder)trans-106.2111.3173.5-179.20000108.2S953 L954 I975 L992 A993 V1005 K1006S953-V997 CarbonylContact C-O 3.54Å; S953-V997 WeakPolarHBondContact CA-O 3.44Å; L954-V997 HydrophobicContact CD1-CB 3.82Å; L954-V997 HydrophobicContact CD1-CG1 3.46Å; L954-V997 VanDerWaalsContact CD1-CG1 3.46Å; L954-V997 HydrophobicContact CG-CB 4.23Å; L954-V997 HydrophobicContact CG-CG1 3.98Å; L954-V997 PolarHBondContact N-O 3.21Å; I975-V997 HydrophobicContact CD1-CG1 4.02Å; I975-V997 HydrophobicContact CD1-CG2 4.02Å; I975-V997 HydrophobicContact CG1-CG1 3.91Å; I975-V997 HydrophobicContact CG1-CG2 4.1Å; L992-V997 HydrophobicContact CD1-CG2 4.37Å; A993-V997 PolarHBondContact O-N 3.46Å; V997-V1005 HydrophobicContact CG1-CB 3.72Å; V997-V1005 HydrophobicContact CG1-CG1 4.33Å; V997-V1005 HydrophobicContact CG1-CG2 4.03Å; V997-K1006 CarbonylContact C-O 3.54Å; V997-K1006 WeakPolarHBondContact CA-O 3.31Å
998L93.6Very high89.5Confident44 Ų4412.6 Ų12.623%0.236%0.061CC..EExtended strand (participates in β ladder)trans-87.8149179.9-51.3-176.8000111.3V928 V949 G952 V1005 K1006V928-L998 HydrophobicContact CG2-CD1 3.62Å; V928-L998 HydrophobicContact CG2-CG 4.34Å; V949-L998 HydrophobicContact CB-CB 4.14Å; V949-L998 HydrophobicContact CB-CD1 3.99Å; V949-L998 HydrophobicContact CG1-CB 3.79Å; V949-L998 HydrophobicContact CG2-CB 4.4Å; V949-L998 HydrophobicContact CG2-CD1 3.86Å; G952-L998 CarbonylContact O-C 3.53Å; G952-L998 VanDerWaalsContact O-CA 3.25Å; G952-L998 WeakPolarHBondContact O-CA 3.33Å; L998-V1005 CarbonylContact O-C 3.58Å; L998-V1005 WeakPolarHBondContact O-CA 3.3Å; L998-V1005 WeakPolarHBondContact O-CB 3.48Å; L998-K1006 PolarHBondContact N-O 3.08Å; L998-K1006 PolarHBondContact O-N 2.87Å
999V87.5Confident89.2Confident0 Ų013.7 Ų13.70%07%0.067CC..EExtended strand (participates in β ladder)trans-104.2113.4177.8-177.80000107.9V949 Q951 G952 L954 Y957 N1001 V1005V949-V999 WeakPolarHBondContact CG1-O 3.4Å; Q951-V999 HydrophobicContact CB-CB 3.87Å; Q951-V999 HydrophobicContact CB-CG1 3.97Å; Q951-V999 WeakPolarHBondContact CB-O 3.5Å; Q951-V999 HydrophobicContact CG-CG1 4.36Å; Q951-V999 PolarHBondContact N-O 3.27Å; G952-V999 PolarHBondContact O-N 3.16Å; L954-V999 HydrophobicContact CD2-CG2 3.48Å; L954-V999 VanDerWaalsContact CD2-CG2 3.48Å; L954-V999 HydrophobicContact CG-CG2 3.91Å; Y957-V999 HydrophobicContact CD1-CG2 4.18Å; Y957-V999 HydrophobicContact CD2-CB 4.16Å; Y957-V999 HydrophobicContact CD2-CG1 4.03Å; Y957-V999 HydrophobicContact CD2-CG2 4.12Å; Y957-V999 HydrophobicContact CE2-CB 4.49Å; Y957-V999 HydrophobicContact CE2-CG1 3.86Å; Y957-V999 HydrophobicContact CG-CB 4.41Å; Y957-V999 HydrophobicContact CG-CG1 4.48Å; Y957-V999 HydrophobicContact CG-CG2 3.86Å; V999-N1001 WeakPolarHBondContact CG1-O 3.34Å; V999-V1005 HydrophobicContact CG2-CG1 4.11Å
1000E77.7Confident88.9Confident49 Ų4913.7 Ų13.723%0.2297%0.067CC..EExtended strand (participates in β ladder)trans-77.4-48.3177.3176.1175.8-153.400110.7V949 V1004 K1006V949-E1000 HydrophobicContact CG1-CB 4.18Å; E1000-V1004 HydrophobicContact CB-CB 4.27Å; E1000-V1004 HydrophobicContact CB-CG1 4.31Å; E1000-V1004 PolarHBondContact N-O 2.98Å; E1000-V1004 WeakPolarHBondContact OE2-CG1 3.44Å; E1000-K1006 VanDerWaalsContact CD-NZ 3.34Å; E1000-K1006 WeakPolarHBondContact OE1-CE 3.24Å; E1000-K1006 IonicContact OE1-NZ 2.83Å; E1000-K1006 PolarHBondContact OE1-NZ 3.42Å; E1000-K1006 WeakPolarHBondContact OE2-CE 3.48Å; E1000-K1006 IonicContact OE2-NZ 3.53Å; E1000-K1006 PolarHBondContact OE2-NZ 2.63Å
1001N71.4Confident88.5Confident23 Ų2313.8 Ų13.812%0.1237%0.069CC..EExtended strand (participates in β ladder)trans-151.5-173.7176.961.159.1000109V999 N1003 V1004V999-N1001 WeakPolarHBondContact CG1-O 3.34Å; N1001-N1003 PolarHBondContact O-N 3.18Å; N1001-N1003 PolarHBondContact OD1-N 2.82Å; N1001-V1004 PolarHBondContact N-O 2.82Å; N1001-V1004 PolarHBondContact O-N 3.42Å; N1001-V1004 PolarHBondContact OD1-N 2.99Å; N1001-V1004 VanDerWaalsContact OD1-N 3.09Å
1002Q66.2Low88.2Confident10 Ų1014 Ų145%0.0477%0.071CC..THydrogen-bonded Turntrans-57.4-21.6-176.4-67.4-158.83.500115.2L556 N557 K967L556-Q1002 HydrophobicContact CD2-CG 4.19Å; N557-Q1002 PolarHBondContact O-NE2 3.48Å; K967-Q1002 WeakPolarHBondContact CE-O 3.42Å; K967-Q1002 PolarHBondContact NZ-O 3.29Å
1003N73Confident87.9Confident27 Ų2714.2 Ų14.214%0.1447%0.072CC..THydrogen-bonded Turntrans-123.5-2.1-172.9-58.7-51.3000114.1L554 M970 Q974 N1001L554-N1003 WeakPolarHBondContact CB-ND2 3.49Å; L554-N1003 HydrophobicContact CD1-CB 3.99Å; M970-N1003 HydrophobicContact CE-CB 4.04Å; M970-N1003 HydrophobicContact SD-CB 4.36Å; Q974-N1003 VanDerWaalsContact CD-O 3.28Å; Q974-N1003 PolarHBondContact NE2-O 3.41Å; Q974-N1003 PolarHBondContact OE1-O 3.15Å; Q974-N1003 VanDerWaalsContact OE1-O 3.11Å; N1001-N1003 PolarHBondContact O-N 3.18Å; N1001-N1003 PolarHBondContact OD1-N 2.82Å
1004V81.7Confident87.6Confident2 Ų215 Ų151%0.0128%0.075CC..EExtended strand (participates in β ladder)trans-128.5125.7-177.1-176.70000110.7E1000 N1001E1000-V1004 HydrophobicContact CB-CB 4.27Å; E1000-V1004 HydrophobicContact CB-CG1 4.31Å; E1000-V1004 PolarHBondContact N-O 2.98Å; E1000-V1004 WeakPolarHBondContact OE2-CG1 3.44Å; N1001-V1004 PolarHBondContact N-O 2.82Å; N1001-V1004 PolarHBondContact O-N 3.42Å; N1001-V1004 PolarHBondContact OD1-N 2.99Å; N1001-V1004 VanDerWaalsContact OD1-N 3.09Å
1005V92.6Very high87.3Confident1 Ų119.9 Ų19.91%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-111.9148.7167.7-62.80000111.8N926 L954 F971 Q974 I975 V997 L998 V999N926-V1005 WeakPolarHBondContact CA-O 3.42Å; N926-V1005 WeakPolarHBondContact CB-O 3.17Å; N926-V1005 PolarHBondContact ND2-O 2.86Å; L954-V1005 HydrophobicContact CD1-CG1 4.41Å; L954-V1005 HydrophobicContact CD2-CG1 4.22Å; L954-V1005 HydrophobicContact CG-CG1 4.41Å; F971-V1005 HydrophobicContact CB-CG1 4.24Å; F971-V1005 HydrophobicContact CB-CG2 4.41Å; F971-V1005 HydrophobicContact CD1-CG1 3.46Å; F971-V1005 VanDerWaalsContact CD1-CG1 3.46Å; F971-V1005 HydrophobicContact CD1-CG2 4.45Å; F971-V1005 HydrophobicContact CD2-CG1 4.42Å; F971-V1005 HydrophobicContact CE1-CG1 3.76Å; F971-V1005 HydrophobicContact CG-CG1 3.81Å; F971-V1005 HydrophobicContact CZ-CG1 4.35Å; Q974-V1005 HydrophobicContact CB-CG2 3.68Å; I975-V1005 HydrophobicContact CG1-CG2 4.09Å; V997-V1005 HydrophobicContact CG1-CB 3.72Å; V997-V1005 HydrophobicContact CG1-CG1 4.33Å; V997-V1005 HydrophobicContact CG1-CG2 4.03Å; L998-V1005 CarbonylContact O-C 3.58Å; L998-V1005 WeakPolarHBondContact O-CA 3.3Å; L998-V1005 WeakPolarHBondContact O-CB 3.48Å; V999-V1005 HydrophobicContact CG2-CG1 4.11Å
1006K94.8Very high87Confident4 Ų416.6 Ų16.62%0.0178%0.082CC..EExtended strand (participates in β ladder)trans-126.2133.3179.4-59.8-169.2-167.6-70.50111.3S925 N926 V928 E947 V949 V997 L998 E1000S925-K1006 PolarHBondContact O-NZ 3.29Å; N926-K1006 CarbonylContact O-C 3.43Å; N926-K1006 WeakPolarHBondContact O-CA 3.45Å; V928-K1006 HydrophobicContact CG2-CB 4Å; E947-K1006 WeakPolarHBondContact OE1-CD 3.44Å; E947-K1006 VanDerWaalsContact OE1-CE 3.27Å; E947-K1006 WeakPolarHBondContact OE1-CE 3.47Å; E947-K1006 IonicContact OE1-NZ 2.71Å; V949-K1006 HydrophobicContact CG2-CD 4.4Å; V997-K1006 CarbonylContact C-O 3.54Å; V997-K1006 WeakPolarHBondContact CA-O 3.31Å; L998-K1006 PolarHBondContact N-O 3.08Å; L998-K1006 PolarHBondContact O-N 2.87Å; E1000-K1006 VanDerWaalsContact CD-NZ 3.34Å; E1000-K1006 WeakPolarHBondContact OE1-CE 3.24Å; E1000-K1006 IonicContact OE1-NZ 2.83Å; E1000-K1006 PolarHBondContact OE1-NZ 3.42Å; E1000-K1006 WeakPolarHBondContact OE2-CE 3.48Å; E1000-K1006 IonicContact OE2-NZ 3.53Å; E1000-K1006 PolarHBondContact OE2-NZ 2.63Å
1007I96.8Very high86.5Confident2 Ų218.9 Ų18.91%0.0110%0.097CC..EExtended strand (participates in β ladder)trans-81.5132.2175.3-55.9165.7000108.8N926 I927 V928 I975 M979 H989 L992 F1010N926-I1007 PolarHBondContact O-N 3.26Å; I927-I1007 WeakPolarHBondContact CA-O 3.36Å; V928-I1007 PolarHBondContact N-O 3.12Å; I975-I1007 HydrophobicContact CG2-CD1 4.3Å; M979-I1007 HydrophobicContact CG-CD1 3.75Å; M979-I1007 HydrophobicContact SD-CD1 3.9Å; H989-I1007 WeakPolarHBondContact NE2-CG2 3.46Å; L992-I1007 HydrophobicContact CD1-CG2 4.32Å; I1007-F1010 HydrophobicContact CG2-CZ 4.49Å
1008G92Very high85.5Confident6 Ų626.5 Ų26.56%0.06213%0.133CC..  trans-131.2-175.1177.200000112.5H989 N996H989-G1008 PolarHBondContact NE2-O 3.27Å; N996-G1008 PolarHBondContact O-N 2.69Å
1009D87.7Confident84.9Confident22 Ų2228.2 Ų28.212%0.11816%0.161CC..  trans56.684.6-176.4-158.34.5000114.7G875 H876 K899 H989 N996 G1011G875-D1009 WeakPolarHBondContact CA-OD2 3.49Å; H876-D1009 PolarHBondContact N-OD2 3.2Å; K899-D1009 IonicContact NZ-OD1 3.88Å; K899-D1009 PolarHBondContact NZ-OD1 3.28Å; H989-D1009 PolarHBondContact CE1-O 3.13Å; H989-D1009 VanDerWaalsContact CE1-O 3.29Å; N996-D1009 HydrophobicContact CB-CB 4.36Å; D1009-G1011 VanDerWaalsContact C-N 3.31Å; D1009-G1011 PolarHBondContact O-N 2.91Å
1010F90.4Very high84.9Confident1 Ų133.1 Ų33.10%0.00418%0.184CC..  trans-95.115.6-177.3-68.1-93.1000112.3E915 I918 L919 L922 I927 L982 H989 I1007 L1012 T1013E915-F1010 HydrophobicContact CG-CB 3.96Å; E915-F1010 PolarHBondContact OE1-N 3.23Å; I918-F1010 HydrophobicContact CG2-CB 4.47Å; I918-F1010 HydrophobicContact CG2-CD1 4.2Å; L919-F1010 HydrophobicContact CD1-CD2 3.55Å; L919-F1010 HydrophobicContact CD1-CE2 3.44Å; L919-F1010 VanDerWaalsContact CD1-CE2 3.44Å; L919-F1010 HydrophobicContact CD1-CG 4.38Å; L919-F1010 HydrophobicContact CD1-CZ 4.22Å; L919-F1010 HydrophobicContact CG-CD2 4.5Å; L922-F1010 HydrophobicContact CD1-CD1 3.88Å; L922-F1010 HydrophobicContact CD1-CE1 3.45Å; L922-F1010 VanDerWaalsContact CD1-CE1 3.45Å; L922-F1010 HydrophobicContact CD1-CZ 3.88Å; I927-F1010 HydrophobicContact CD1-CZ 4.48Å; I927-F1010 HydrophobicContact CG1-CZ 4.44Å; I927-F1010 HydrophobicContact CG2-CE2 3.91Å; I927-F1010 HydrophobicContact CG2-CZ 3.54Å; L982-F1010 HydrophobicContact CD1-CE1 3.99Å; L982-F1010 HydrophobicContact CD2-CE1 4.23Å; H989-F1010 AromaticContact CD2-CE1 3.86Å; I1007-F1010 HydrophobicContact CG2-CZ 4.49Å; F1010-L1012 VanDerWaalsContact C-N 3.26Å; F1010-L1012 PolarHBondContact O-N 3.28Å; F1010-T1013 WeakPolarHBondContact CA-OG1 3.44Å; F1010-T1013 HydrophobicContact CD1-CG2 4.31Å; F1010-T1013 WeakPolarHBondContact CD1-OG1 3.14Å; F1010-T1013 VanDerWaalsContact O-CB 3.32Å; F1010-T1013 WeakPolarHBondContact O-CB 3.38Å; F1010-T1013 PolarHBondContact O-N 2.83Å; F1010-T1013 PolarHBondContact O-OG1 2.77Å
1011G84.8Confident85.2Confident7 Ų736.8 Ų36.87%0.07220%0.204CC..THydrogen-bonded Turntrans-60.9-32.3-173.400000114.2F877 E915 D1009F877-G1011 WeakPolarHBondContact CE2-O 3.48Å; F877-G1011 WeakPolarHBondContact CZ-O 3.32Å; E915-G1011 PolarHBondContact OE1-N 3.36Å; D1009-G1011 VanDerWaalsContact C-N 3.31Å; D1009-G1011 PolarHBondContact O-N 2.91Å
1012L87.1Confident86.1Confident12 Ų1239.4 Ų39.46%0.06321%0.213CC..THydrogen-bonded Turntrans-95-3.6177-70.2-179.2000113.9H876 H989 R990 D991 F1010H876-L1012 VanDerWaalsContact CE1-CD2 3.41Å; H876-L1012 WeakPolarHBondContact CE1-CD2 2.96Å; H876-L1012 WeakPolarHBondContact NE2-CD2 3.42Å; H989-L1012 CarbonylContact O-C 3.43Å; R990-L1012 HydrophobicContact CB-CB 4.03Å; R990-L1012 VanDerWaalsContact CD-O 3.28Å; R990-L1012 WeakPolarHBondContact CD-O 3.42Å; R990-L1012 PolarHBondContact NH1-O 2.92Å; D991-L1012 HydrophobicContact CB-CB 4.36Å; D991-L1012 HydrophobicContact CB-CD1 4.1Å; F1010-L1012 VanDerWaalsContact C-N 3.26Å; F1010-L1012 PolarHBondContact O-N 3.28Å
1013T91.7Very high87.2Confident5 Ų541.6 Ų41.63%0.03122%0.221CC..  trans-65.4139.3-173.7-620000111.8I918 Y987 V988 H989 F1010I918-T1013 HydrophobicContact CD1-CG2 4.07Å; I918-T1013 HydrophobicContact CG2-CG2 4Å; Y987-T1013 HydrophobicContact CD1-CG2 4.11Å; Y987-T1013 HydrophobicContact CG-CG2 4.25Å; V988-T1013 VanDerWaalsContact O-CA 3.3Å; V988-T1013 WeakPolarHBondContact O-CA 3.42Å; V988-T1013 WeakPolarHBondContact O-CG2 3.45Å; H989-T1013 WeakPolarHBondContact O-CA 3.42Å; H989-T1013 PolarHBondContact O-N 3.18Å; H989-T1013 PolarHBondContact O-OG1 2.81Å; F1010-T1013 WeakPolarHBondContact CA-OG1 3.44Å; F1010-T1013 HydrophobicContact CD1-CG2 4.31Å; F1010-T1013 WeakPolarHBondContact CD1-OG1 3.14Å; F1010-T1013 VanDerWaalsContact O-CB 3.32Å; F1010-T1013 WeakPolarHBondContact O-CB 3.38Å; F1010-T1013 PolarHBondContact O-N 2.83Å; F1010-T1013 PolarHBondContact O-OG1 2.77Å
1014K90.4Very high87.9Confident17 Ų1745.8 Ų45.87%0.07424%0.235CC..EExtended strand (participates in β ladder)trans-136.7144.9179.6-63-70.8-179.71750111.4Y987 V988 Y1023 E1027Y987-K1014 WeakPolarHBondContact CA-O 3.36Å; V988-K1014 PolarHBondContact N-O 3.06Å; V988-K1014 PolarHBondContact O-N 3.21Å; K1014-Y1023 HydrophobicContact CB-CD1 3.97Å; K1014-Y1023 HydrophobicContact CB-CD2 4.2Å; K1014-Y1023 HydrophobicContact CB-CE1 4.06Å; K1014-Y1023 HydrophobicContact CB-CE2 4.28Å; K1014-Y1023 HydrophobicContact CB-CG 4.04Å; K1014-Y1023 HydrophobicContact CD-CE1 4.05Å; K1014-Y1023 HydrophobicContact CD-CE2 4.37Å; K1014-Y1023 HydrophobicContact CG-CD1 3.96Å; K1014-Y1023 HydrophobicContact CG-CE1 3.6Å; K1014-Y1023 HydrophobicContact CG-CE2 4.37Å; K1014-Y1023 HydrophobicContact CG-CG 4.49Å; K1014-E1027 IonicContact NZ-OE1 3.46Å; K1014-E1027 PolarHBondContact NZ-OE1 2.89Å; K1014-E1027 IonicContact NZ-OE2 2.72Å; K1014-E1027 PolarHBondContact NZ-OE2 3.42Å
1015Y88.8Confident87.9Confident102 Ų10246.2 Ų46.240%0.424%0.238SC..EExtended strand (participates in β ladder)trans-80.2134.4173-179.3-107.6000110.6R986 Y987R986-Y1015 HydrophobicContact CB-CD2 4.15Å; R986-Y1015 HydrophobicContact CB-CE2 3.72Å; Y987-Y1015 HydrophobicContact CD1-CD2 4.27Å; Y987-Y1015 AromaticContact CE1-CD2 3.99Å; Y987-Y1015 HydrophobicContact CE1-CD2 3.99Å; Y987-Y1015 HydrophobicContact CE1-CG 4.33Å
1016I88.4Confident86.9Confident0 Ų056.9 Ų56.90%028%0.278CS..PPolyproline II helixtrans-95.8116.1167.7-62175.4000108.4R986 V988 E1020 F1048R986-I1016 PolarHBondContact NE-O 2.94Å; R986-I1016 PolarHBondContact O-N 3.44Å; V988-I1016 HydrophobicContact CG2-CD1 3.25Å; V988-I1016 HydrophobicContact CG2-CG1 3.77Å; I1016-E1020 HydrophobicContact CG2-CB 3.77Å; I1016-E1020 VanDerWaalsContact CG2-O 3.27Å; I1016-E1020 WeakPolarHBondContact CG2-O 3.42Å; I1016-F1048 HydrophobicContact CB-CZ 4.4Å; I1016-F1048 HydrophobicContact CD1-CD1 4.32Å; I1016-F1048 HydrophobicContact CD1-CE1 3.95Å; I1016-F1048 HydrophobicContact CD1-CE2 4.34Å; I1016-F1048 HydrophobicContact CD1-CZ 3.96Å
1017P83.4Confident85.5Confident62 Ų6261.2 Ų61.240%0.40330%0.298SS..PPolyproline II helixtrans-51.4154.2175-26.935.7000114R986 E1020R986-P1017 PolarHBondContact NH2-O 3.25Å; P1017-E1020 HydrophobicContact CB-CB 4.42Å; P1017-E1020 HydrophobicContact CB-CG 4.05Å; P1017-E1020 HydrophobicContact CG-CG 4.4Å; P1017-E1020 PolarHBondContact O-N 2.95Å
1018E76.6Confident83.8Confident160 Ų16069.5 Ų69.575%0.74834%0.342SS*.THydrogen-bonded Turntrans-63.3136.5172.4-69.3-178.1178.900109.9E1020E1018-E1020 VanDerWaalsContact C-N 3.27Å; E1018-E1020 PolarHBondContact O-N 2.81Å
1019G80.8Confident82.7Confident80 Ų8071.7 Ų71.783%0.82537%0.365SS*.THydrogen-bonded Turntrans86.7-19.9-173.100000114.9
1020E85.8Confident81.8Confident103 Ų10377.7 Ų77.748%0.48140%0.397SS..  trans-89.2148174.8-64.4-67.6170.400111.4R986 I1016 P1017 E1018R986-E1020 PolarHBondContact NH2-O 3.42Å; I1016-E1020 HydrophobicContact CG2-CB 3.77Å; I1016-E1020 VanDerWaalsContact CG2-O 3.27Å; I1016-E1020 WeakPolarHBondContact CG2-O 3.42Å; P1017-E1020 HydrophobicContact CB-CB 4.42Å; P1017-E1020 HydrophobicContact CB-CG 4.05Å; P1017-E1020 HydrophobicContact CG-CG 4.4Å; P1017-E1020 PolarHBondContact O-N 2.95Å; E1018-E1020 VanDerWaalsContact C-N 3.27Å; E1018-E1020 PolarHBondContact O-N 2.81Å
1021I85.9Confident81.5Confident127 Ų12780 Ų8065%0.65141%0.413SS*.SBendtrans-108.5-15.2-178.954.2163.7000113.4S1047I1021-S1047 WeakPolarHBondContact O-CB 3.48Å
1022Y90Very high81.7Confident78 Ų7880.3 Ų80.331%0.30641%0.414SS..  trans-148.5157.6175.463.9-102.3000111.1R1024 K1045 F1046Y1022-R1024 HydrophobicContact CE2-CB 4.41Å; Y1022-K1045 HydrophobicContact CD1-CD 4.09Å; Y1022-K1045 HydrophobicContact CD2-CB 4.08Å; Y1022-K1045 HydrophobicContact CD2-CD 4.05Å; Y1022-K1045 HydrophobicContact CD2-CG 3.72Å; Y1022-K1045 HydrophobicContact CE1-CD 3.96Å; Y1022-K1045 HydrophobicContact CE2-CD 3.94Å; Y1022-K1045 HydrophobicContact CE2-CG 3.81Å; Y1022-K1045 HydrophobicContact CG-CB 4.23Å; Y1022-K1045 HydrophobicContact CG-CD 4.15Å; Y1022-K1045 HydrophobicContact CG-CG 4.17Å; Y1022-F1046 CarbonylContact C-O 3.52Å; Y1022-F1046 WeakPolarHBondContact CA-O 3.3Å
1023Y89.3Confident81.9Confident55 Ų5581.5 Ų81.522%0.21642%0.422CS..EExtended strand (participates in β ladder)trans-102.8132.4167.9177.3-94.4000109.6K1014 V1025 F1046K1014-Y1023 HydrophobicContact CB-CD1 3.97Å; K1014-Y1023 HydrophobicContact CB-CD2 4.2Å; K1014-Y1023 HydrophobicContact CB-CE1 4.06Å; K1014-Y1023 HydrophobicContact CB-CE2 4.28Å; K1014-Y1023 HydrophobicContact CB-CG 4.04Å; K1014-Y1023 HydrophobicContact CD-CE1 4.05Å; K1014-Y1023 HydrophobicContact CD-CE2 4.37Å; K1014-Y1023 HydrophobicContact CG-CD1 3.96Å; K1014-Y1023 HydrophobicContact CG-CE1 3.6Å; K1014-Y1023 HydrophobicContact CG-CE2 4.37Å; K1014-Y1023 HydrophobicContact CG-CG 4.49Å; Y1023-V1025 HydrophobicContact CD1-CG2 3.85Å; Y1023-V1025 HydrophobicContact CE1-CB 4.3Å; Y1023-V1025 HydrophobicContact CE1-CG2 3.65Å; Y1023-F1046 PolarHBondContact N-O 3.36Å; Y1023-F1046 PolarHBondContact O-N 2.67Å
1024R88.1Confident82Confident115 Ų11583.5 Ų83.543%0.43443%0.429SS..EExtended strand (participates in β ladder)trans-101.1119173.6-174.6174.3-103.5165.7-6.6110.7Y1022 E1043 L1044Y1022-R1024 HydrophobicContact CE2-CB 4.41Å; R1024-E1043 PolarHBondContact NE-O 2.91Å; R1024-E1043 PolarHBondContact NH2-O 3.31Å; R1024-L1044 VanDerWaalsContact CA-O 3.28Å; R1024-L1044 WeakPolarHBondContact CA-O 3.07Å; R1024-L1044 HydrophobicContact CG-CB 4.38Å
1025V80.8Confident82.3Confident12 Ų1283.7 Ų83.77%0.07343%0.43CS..PPolyproline II helixtrans-73.4136.7179.4178.70000110Y1023 L1044 F1046Y1023-V1025 HydrophobicContact CD1-CG2 3.85Å; Y1023-V1025 HydrophobicContact CE1-CB 4.3Å; Y1023-V1025 HydrophobicContact CE1-CG2 3.65Å; V1025-L1044 HydrophobicContact CB-CB 4.46Å; V1025-L1044 PolarHBondContact N-O 3.35Å; V1025-F1046 HydrophobicContact CB-CD2 4.31Å; V1025-F1046 HydrophobicContact CB-CE2 3.98Å; V1025-F1046 HydrophobicContact CG2-CD2 3.32Å; V1025-F1046 HydrophobicContact CG2-CE2 3.27Å; V1025-F1046 HydrophobicContact CG2-CG 4.29Å; V1025-F1046 HydrophobicContact CG2-CZ 4.17Å
1026R71.3Confident82.6Confident225 Ų22579.4 Ų79.485%0.84941%0.413SS*.  trans-128.43.6178.4-56.6-175.4-176.1-171.60.5112.8
1027E65.8Low83Confident95 Ų9579.4 Ų79.444%0.44441%0.413SS..  trans-102.6134-174-64.7166.2-169.200108.8K1014K1014-E1027 IonicContact NZ-OE1 3.46Å; K1014-E1027 PolarHBondContact NZ-OE1 2.89Å; K1014-E1027 IonicContact NZ-OE2 2.72Å; K1014-E1027 PolarHBondContact NZ-OE2 3.42Å
1028D61.3Low83.5Confident175 Ų17577.4 Ų77.494%0.93640%0.398SS*.  trans-79.7134174.1-66.9-36.5000110.4
1029G67.6Low84.3Confident52 Ų5270.7 Ų70.754%0.53637%0.367SS..  trans173.6164177.300000114.1S1031G1029-S1031 PolarHBondContact O-N 3.07Å; G1029-S1031 PolarHBondContact O-OG 2.85Å
1030D70.5Confident85Confident148 Ų14867 Ų6779%0.79133%0.328SS*.  trans-59.3124.4178.7-73.1-24.3000110.9H876H876-D1030 PolarHBondContact CE1-O 2.99Å; H876-D1030 VanDerWaalsContact CE1-O 3.25Å; H876-D1030 PolarHBondContact ND1-O 2.84Å
1031S82.2Confident85.2Confident49 Ų4963.1 Ų63.134%0.34331%0.311SS..  trans-124.1140.2-175.9-77.50000111.1G1029 V1033 Y1036G1029-S1031 PolarHBondContact O-N 3.07Å; G1029-S1031 PolarHBondContact O-OG 2.85Å; S1031-V1033 PolarHBondContact O-N 2.96Å; S1031-Y1036 WeakPolarHBondContact CB-OH 3.44Å; S1031-Y1036 PolarHBondContact OG-OH 3.27Å; S1031-Y1036 VanDerWaalsContact OG-OH 3.14Å
1032P89.3Confident85.5Confident14 Ų1462.3 Ų62.39%0.09130%0.303CS..  trans-74.665.717736.5-43.3000111.5D991 Y1034 W1035 Y1036D991-P1032 WeakPolarHBondContact OD1-CB 3.5Å; D991-P1032 WeakPolarHBondContact OD1-CG 3.35Å; P1032-Y1034 PolarHBondContact O-N 3.28Å; P1032-W1035 HydrophobicContact CB-CB 4.47Å; P1032-W1035 HydrophobicContact CB-CE3 4.2Å; P1032-W1035 PolarHBondContact O-N 3.08Å; P1032-Y1036 HydrophobicContact CG-CD1 4.13Å; P1032-Y1036 HydrophobicContact CG-CE1 3.52Å
1033V91.8Very high85.5Confident38 Ų3862.6 Ų62.623%0.2331%0.307CS..G310 helixtrans-55-29.7-168.6-64.40000114.4S1031 W1035 Y1036 L1041 V1089S1031-V1033 PolarHBondContact O-N 2.96Å; V1033-W1035 VanDerWaalsContact C-N 3.26Å; V1033-W1035 PolarHBondContact O-N 3.15Å; V1033-Y1036 PolarHBondContact O-N 3.17Å; V1033-L1041 HydrophobicContact CB-CD2 4.06Å; V1033-L1041 HydrophobicContact CG1-CD2 4.34Å; V1033-V1089 HydrophobicContact CB-CG2 4.2Å; V1033-V1089 HydrophobicContact CG1-CG2 3.86Å; V1033-V1089 HydrophobicContact CG2-CG2 4.43Å
1034Y94.6Very high85.5Confident47 Ų4764.2 Ų64.218%0.18432%0.318CS..G310 helixtrans-72.5-14177.3-57.8-76.4000114.4P1032 P1073 F1076 M1087 L1092P1032-Y1034 PolarHBondContact O-N 3.28Å; Y1034-P1073 HydrophobicContact CD1-CB 4.49Å; Y1034-P1073 HydrophobicContact CD2-CB 4.05Å; Y1034-P1073 HydrophobicContact CD2-CG 3.68Å; Y1034-P1073 HydrophobicContact CE1-CB 4.27Å; Y1034-P1073 HydrophobicContact CE2-CB 3.81Å; Y1034-P1073 HydrophobicContact CE2-CG 3.91Å; Y1034-P1073 HydrophobicContact CG-CB 4.37Å; Y1034-P1073 HydrophobicContact CG-CG 4.06Å; Y1034-F1076 HydrophobicContact CD1-CB 4.32Å; Y1034-F1076 AromaticContact CD1-CD2 3.81Å; Y1034-F1076 HydrophobicContact CD1-CD2 3.81Å; Y1034-F1076 HydrophobicContact CD1-CG 4.43Å; Y1034-F1076 HydrophobicContact CE1-CB 4.33Å; Y1034-M1087 HydrophobicContact CE1-CG 3.91Å; Y1034-L1092 HydrophobicContact CD1-CD2 4.2Å
1035W96.3Very high85.8Confident21 Ų2161.1 Ų61.18%0.0831%0.308CS..G310 helixtrans-101.6-3.1175.3-74-106.9000112.5L992 A993 P1032 V1033 S1054 V1057 E1061 P1072 P1073L992-W1035 VanDerWaalsContact O-CD1 3.27Å; A993-W1035 HydrophobicContact CB-CD2 4.24Å; A993-W1035 HydrophobicContact CB-CG 4.24Å; A993-W1035 HydrophobicContact CB-CZ2 4.46Å; P1032-W1035 HydrophobicContact CB-CB 4.47Å; P1032-W1035 HydrophobicContact CB-CE3 4.2Å; P1032-W1035 PolarHBondContact O-N 3.08Å; V1033-W1035 VanDerWaalsContact C-N 3.26Å; V1033-W1035 PolarHBondContact O-N 3.15Å; W1035-S1054 VanDerWaalsContact O-CA 3.3Å; W1035-S1054 WeakPolarHBondContact O-CA 3.1Å; W1035-S1054 WeakPolarHBondContact O-CB 3.32Å; W1035-S1054 PolarHBondContact O-OG 3.35Å; W1035-V1057 HydrophobicContact CD2-CG1 4.06Å; W1035-V1057 HydrophobicContact CG-CB 4.15Å; W1035-V1057 HydrophobicContact CG-CG1 3.84Å; W1035-E1061 VanDerWaalsContact CZ2-CD 3.41Å; W1035-E1061 HydrophobicContact CZ2-CG 4.23Å; W1035-E1061 WeakPolarHBondContact CZ2-OE1 3.47Å; W1035-E1061 PolarHBondContact NE1-OE2 3.42Å; W1035-P1072 HydrophobicContact CH2-CB 4.37Å; W1035-P1072 HydrophobicContact CH2-CG 4.16Å; W1035-P1072 HydrophobicContact CZ2-CB 4.38Å; W1035-P1072 HydrophobicContact CZ2-CG 3.77Å; W1035-P1073 HydrophobicContact CH2-CG 4.39Å; W1035-P1073 HydrophobicContact CZ3-CG 4.46Å
1036Y95.6Very high86.4Confident12 Ų1260.7 Ų60.75%0.04731%0.305CS..SBendtrans-83.7143.5-177.7-78.70.6000112.8R990 S1031 P1032 V1033 C1040 L1041 F1046 W1053R990-Y1036 VanDerWaalsContact O-CE1 3.29Å; R990-Y1036 WeakPolarHBondContact O-CE1 3.28Å; S1031-Y1036 WeakPolarHBondContact CB-OH 3.44Å; S1031-Y1036 PolarHBondContact OG-OH 3.27Å; S1031-Y1036 VanDerWaalsContact OG-OH 3.14Å; P1032-Y1036 HydrophobicContact CG-CD1 4.13Å; P1032-Y1036 HydrophobicContact CG-CE1 3.52Å; V1033-Y1036 PolarHBondContact O-N 3.17Å; Y1036-C1040 HydrophobicContact CD2-CB 4.21Å; Y1036-C1040 HydrophobicContact CG-CB 4.13Å; Y1036-L1041 HydrophobicContact CD2-CD2 3.99Å; Y1036-L1041 HydrophobicContact CG-CD2 4.39Å; Y1036-F1046 HydrophobicContact CD1-CE1 4.04Å; Y1036-F1046 HydrophobicContact CD2-CE1 4.21Å; Y1036-F1046 HydrophobicContact CD2-CZ 4.05Å; Y1036-F1046 AromaticContact CE1-CE1 3.65Å; Y1036-F1046 HydrophobicContact CE1-CE1 3.65Å; Y1036-F1046 HydrophobicContact CE1-CZ 4.21Å; Y1036-F1046 AromaticContact CE2-CE1 3.87Å; Y1036-F1046 HydrophobicContact CE2-CE1 3.87Å; Y1036-F1046 AromaticContact CE2-CZ 3.56Å; Y1036-F1046 HydrophobicContact CE2-CZ 3.56Å; Y1036-F1046 HydrophobicContact CG-CE1 4.3Å; Y1036-F1046 AromaticContact CZ-CE1 3.55Å; Y1036-F1046 AromaticContact CZ-CZ 3.64Å; Y1036-W1053 PolarHBondContact O-NE1 3Å
1037A95.6Very high87.6Confident0 Ų050.9 Ų50.90%027%0.271CS..  trans-68.1159.9169.500000111.6E1039 C1040 L1041 W1053A1037-E1039 VanDerWaalsContact C-N 3.29Å; A1037-E1039 VanDerWaalsContact CB-CD 3.44Å; A1037-E1039 VanDerWaalsContact CB-OE1 3.26Å; A1037-E1039 WeakPolarHBondContact CB-OE1 3.15Å; A1037-E1039 VanDerWaalsContact CB-OE2 3.28Å; A1037-E1039 WeakPolarHBondContact CB-OE2 3.48Å; A1037-E1039 PolarHBondContact O-N 3.32Å; A1037-C1040 VanDerWaalsContact O-CB 3.31Å; A1037-C1040 WeakPolarHBondContact O-CB 3.46Å; A1037-C1040 PolarHBondContact O-N 2.7Å; A1037-L1041 PolarHBondContact O-N 3.1Å; A1037-L1041 VanDerWaalsContact O-N 3.09Å; A1037-W1053 HydrophobicContact CB-CB 3.74Å; A1037-W1053 HydrophobicContact CB-CD2 3.86Å; A1037-W1053 HydrophobicContact CB-CE3 4.17Å; A1037-W1053 HydrophobicContact CB-CG 3.67Å
1038I93.8Very high89.1Confident19 Ų1948.9 Ų48.910%0.09726%0.261CS..Hα-helixtrans-62-37.3-175-154.4171.3000112.3C1040 L1041 K1042 L1096 E1097I1038-C1040 VanDerWaalsContact C-N 3.33Å; I1038-L1041 PolarHBondContact O-N 3.32Å; I1038-K1042 HydrophobicContact CG1-CD 4.29Å; I1038-K1042 WeakPolarHBondContact O-CB 3.4Å; I1038-K1042 WeakPolarHBondContact O-CG 3.47Å; I1038-K1042 PolarHBondContact O-N 3.27Å; I1038-L1096 HydrophobicContact CD1-CB 3.76Å; I1038-L1096 HydrophobicContact CG1-CB 4.16Å; I1038-E1097 HydrophobicContact CD1-CB 4.44Å; I1038-E1097 HydrophobicContact CD1-CG 3.68Å
1039E94.4Very high90.8Very high20 Ų2041.6 Ų41.69%0.09323%0.225CC..Hα-helixtrans-69.4-29.5175.970.8-79.3-172.400112.8A1037 E1043 L1044 P1124 R1127A1037-E1039 VanDerWaalsContact C-N 3.29Å; A1037-E1039 VanDerWaalsContact CB-CD 3.44Å; A1037-E1039 VanDerWaalsContact CB-OE1 3.26Å; A1037-E1039 WeakPolarHBondContact CB-OE1 3.15Å; A1037-E1039 VanDerWaalsContact CB-OE2 3.28Å; A1037-E1039 WeakPolarHBondContact CB-OE2 3.48Å; A1037-E1039 PolarHBondContact O-N 3.32Å; E1039-E1043 WeakPolarHBondContact O-CA 3.27Å; E1039-E1043 WeakPolarHBondContact O-CB 3.36Å; E1039-E1043 PolarHBondContact O-N 3.13Å; E1039-L1044 PolarHBondContact O-N 3.39Å; E1039-P1124 HydrophobicContact CG-CG 4.18Å; E1039-R1127 IonicContact OE1-CZ 3.97Å; E1039-R1127 IonicContact OE1-NH1 3.05Å; E1039-R1127 PolarHBondContact OE1-NH1 3.42Å; E1039-R1127 IonicContact OE1-NH2 3.62Å; E1039-R1127 PolarHBondContact OE1-NH2 2.73Å; E1039-R1127 IonicContact OE2-CZ 3.92Å; E1039-R1127 IonicContact OE2-NH1 3.1Å; E1039-R1127 IonicContact OE2-NH2 3.35Å; E1039-R1127 PolarHBondContact OE2-NH2 3.31Å
1040C94.2Very high92.2Very high2 Ų239.2 Ų39.21%0.01420%0.2CC..Hα-helixtrans-68.4-42.4172.8-62.30000110.6Y1036 A1037 I1038 L1044 K1045 F1046 S1050Y1036-C1040 HydrophobicContact CD2-CB 4.21Å; Y1036-C1040 HydrophobicContact CG-CB 4.13Å; A1037-C1040 VanDerWaalsContact O-CB 3.31Å; A1037-C1040 WeakPolarHBondContact O-CB 3.46Å; A1037-C1040 PolarHBondContact O-N 2.7Å; I1038-C1040 VanDerWaalsContact C-N 3.33Å; C1040-L1044 VanDerWaalsContact O-CA 3.26Å; C1040-L1044 WeakPolarHBondContact O-CA 3.4Å; C1040-L1044 PolarHBondContact O-N 3.31Å; C1040-K1045 PolarHBondContact SG-O 2.98Å; C1040-F1046 HydrophobicContact CB-CD1 4.24Å; C1040-F1046 HydrophobicContact CB-CE1 3.81Å; C1040-F1046 HydrophobicContact CB-CE2 4.28Å; C1040-F1046 HydrophobicContact CB-CZ 3.83Å; C1040-F1046 VanDerWaalsContact SG-CD1 3.55Å; C1040-S1050 WeakPolarHBondContact SG-CB 3.33Å
1041L91.8Very high93.5Very high21 Ų2132.2 Ų32.211%0.1116%0.163CC..Hα-helixtrans-70.1-38.8-179.9-64.4172.2000112.4V1033 Y1036 A1037 I1038 V1089 L1092 I1093 L1096V1033-L1041 HydrophobicContact CB-CD2 4.06Å; V1033-L1041 HydrophobicContact CG1-CD2 4.34Å; Y1036-L1041 HydrophobicContact CD2-CD2 3.99Å; Y1036-L1041 HydrophobicContact CG-CD2 4.39Å; A1037-L1041 PolarHBondContact O-N 3.1Å; A1037-L1041 VanDerWaalsContact O-N 3.09Å; I1038-L1041 PolarHBondContact O-N 3.32Å; L1041-V1089 HydrophobicContact CB-CG1 4.38Å; L1041-V1089 HydrophobicContact CD2-CG1 4.06Å; L1041-L1092 HydrophobicContact CD1-CD2 3.94Å; L1041-L1092 HydrophobicContact CD1-CG 4.22Å; L1041-I1093 HydrophobicContact CB-CD1 3.98Å; L1041-I1093 HydrophobicContact CB-CG1 3.75Å; L1041-I1093 HydrophobicContact CD1-CG1 4.21Å; L1041-L1096 HydrophobicContact CD1-CD1 3.91Å
1042K90.7Very high94.3Very high111 Ų11130 Ų3048%0.48315%0.148SC..Hα-helixtrans-85.9-43-176.7-70-179.8116.1-172.30114I1038 I1093 E1097I1038-K1042 HydrophobicContact CG1-CD 4.29Å; I1038-K1042 WeakPolarHBondContact O-CB 3.4Å; I1038-K1042 WeakPolarHBondContact O-CG 3.47Å; I1038-K1042 PolarHBondContact O-N 3.27Å; K1042-I1093 HydrophobicContact CD-CG2 4.04Å; K1042-I1093 HydrophobicContact CG-CD1 3.98Å; K1042-I1093 HydrophobicContact CG-CG1 4.23Å; K1042-I1093 HydrophobicContact CG-CG2 3.86Å; K1042-E1097 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1097 IonicContact NZ-OE1 2.74Å; K1042-E1097 PolarHBondContact NZ-OE1 3.31Å
1043E89.7Confident94.8Very high84 Ų8429.7 Ų29.739%0.39315%0.145SC..Hα-helixtrans-118.6-1.4-166-57.3-175.7-158.200113.6R1024 E1039 K1045R1024-E1043 PolarHBondContact NE-O 2.91Å; R1024-E1043 PolarHBondContact NH2-O 3.31Å; E1039-E1043 WeakPolarHBondContact O-CA 3.27Å; E1039-E1043 WeakPolarHBondContact O-CB 3.36Å; E1039-E1043 PolarHBondContact O-N 3.13Å; E1043-K1045 HydrophobicContact CB-CB 4.41Å; E1043-K1045 HydrophobicContact CB-CD 4.15Å; E1043-K1045 HydrophobicContact CB-CG 3.94Å; E1043-K1045 PolarHBondContact O-N 3Å; E1043-K1045 VanDerWaalsContact OE2-CD 3.27Å; E1043-K1045 WeakPolarHBondContact OE2-CD 3.41Å; E1043-K1045 WeakPolarHBondContact OE2-CE 3.39Å; E1043-K1045 IonicContact OE2-NZ 2.55Å; E1043-K1045 PolarHBondContact OE2-NZ 3.32Å
1044L91.1Very high95.1Very high88 Ų8828 Ų2846%0.46114%0.135SC..  trans55.226.7-174.1-56.1174.3000112.7R1024 V1025 E1039 C1040 F1046R1024-L1044 VanDerWaalsContact CA-O 3.28Å; R1024-L1044 WeakPolarHBondContact CA-O 3.07Å; R1024-L1044 HydrophobicContact CG-CB 4.38Å; V1025-L1044 HydrophobicContact CB-CB 4.46Å; V1025-L1044 PolarHBondContact N-O 3.35Å; E1039-L1044 PolarHBondContact O-N 3.39Å; C1040-L1044 VanDerWaalsContact O-CA 3.26Å; C1040-L1044 WeakPolarHBondContact O-CA 3.4Å; C1040-L1044 PolarHBondContact O-N 3.31Å; L1044-F1046 WeakPolarHBondContact O-CD2 3.35Å
1045K93.4Very high95.2Very high50 Ų5025.8 Ų25.822%0.21713%0.126CC..EExtended strand (participates in β ladder)trans-93.8118.3179.5-71.4-176.9-179.9162.20110.2Y1022 C1040 E1043Y1022-K1045 HydrophobicContact CD1-CD 4.09Å; Y1022-K1045 HydrophobicContact CD2-CB 4.08Å; Y1022-K1045 HydrophobicContact CD2-CD 4.05Å; Y1022-K1045 HydrophobicContact CD2-CG 3.72Å; Y1022-K1045 HydrophobicContact CE1-CD 3.96Å; Y1022-K1045 HydrophobicContact CE2-CD 3.94Å; Y1022-K1045 HydrophobicContact CE2-CG 3.81Å; Y1022-K1045 HydrophobicContact CG-CB 4.23Å; Y1022-K1045 HydrophobicContact CG-CD 4.15Å; Y1022-K1045 HydrophobicContact CG-CG 4.17Å; C1040-K1045 PolarHBondContact SG-O 2.98Å; E1043-K1045 HydrophobicContact CB-CB 4.41Å; E1043-K1045 HydrophobicContact CB-CD 4.15Å; E1043-K1045 HydrophobicContact CB-CG 3.94Å; E1043-K1045 PolarHBondContact O-N 3Å; E1043-K1045 VanDerWaalsContact OE2-CD 3.27Å; E1043-K1045 WeakPolarHBondContact OE2-CD 3.41Å; E1043-K1045 WeakPolarHBondContact OE2-CE 3.39Å; E1043-K1045 IonicContact OE2-NZ 2.55Å; E1043-K1045 PolarHBondContact OE2-NZ 3.32Å
1046F94.3Very high95.3Very high3 Ų324.8 Ų24.81%0.01312%0.122CC..EExtended strand (participates in β ladder)trans-112.7119.7179.1-67.2-97.8000109.3V988 R990 Y1022 Y1023 V1025 Y1036 C1040 L1044 S1050V988-F1046 HydrophobicContact CG1-CB 4.31Å; R990-F1046 HydrophobicContact CB-CD1 4.19Å; R990-F1046 HydrophobicContact CB-CE1 4.37Å; R990-F1046 HydrophobicContact CG-CB 4.22Å; R990-F1046 HydrophobicContact CG-CD1 3.6Å; R990-F1046 HydrophobicContact CG-CE1 4.22Å; R990-F1046 HydrophobicContact CG-CG 4.05Å; Y1022-F1046 CarbonylContact C-O 3.52Å; Y1022-F1046 WeakPolarHBondContact CA-O 3.3Å; Y1023-F1046 PolarHBondContact N-O 3.36Å; Y1023-F1046 PolarHBondContact O-N 2.67Å; V1025-F1046 HydrophobicContact CB-CD2 4.31Å; V1025-F1046 HydrophobicContact CB-CE2 3.98Å; V1025-F1046 HydrophobicContact CG2-CD2 3.32Å; V1025-F1046 HydrophobicContact CG2-CE2 3.27Å; V1025-F1046 HydrophobicContact CG2-CG 4.29Å; V1025-F1046 HydrophobicContact CG2-CZ 4.17Å; Y1036-F1046 HydrophobicContact CD1-CE1 4.04Å; Y1036-F1046 HydrophobicContact CD2-CE1 4.21Å; Y1036-F1046 HydrophobicContact CD2-CZ 4.05Å; Y1036-F1046 AromaticContact CE1-CE1 3.65Å; Y1036-F1046 HydrophobicContact CE1-CE1 3.65Å; Y1036-F1046 HydrophobicContact CE1-CZ 4.21Å; Y1036-F1046 AromaticContact CE2-CE1 3.87Å; Y1036-F1046 HydrophobicContact CE2-CE1 3.87Å; Y1036-F1046 AromaticContact CE2-CZ 3.56Å; Y1036-F1046 HydrophobicContact CE2-CZ 3.56Å; Y1036-F1046 HydrophobicContact CG-CE1 4.3Å; Y1036-F1046 AromaticContact CZ-CE1 3.55Å; Y1036-F1046 AromaticContact CZ-CZ 3.64Å; C1040-F1046 HydrophobicContact CB-CD1 4.24Å; C1040-F1046 HydrophobicContact CB-CE1 3.81Å; C1040-F1046 HydrophobicContact CB-CE2 4.28Å; C1040-F1046 HydrophobicContact CB-CZ 3.83Å; C1040-F1046 VanDerWaalsContact SG-CD1 3.55Å; L1044-F1046 WeakPolarHBondContact O-CD2 3.35Å; F1046-S1050 WeakPolarHBondContact CA-OG 3.29Å
1047S96.1Very high95.4Very high19 Ų1924.3 Ų24.313%0.13312%0.12CC..  trans-122.5173.9178.966.40000110.4I1021 A1049 S1050 D1051I1021-S1047 WeakPolarHBondContact O-CB 3.48Å; S1047-A1049 PolarHBondContact O-N 3.29Å; S1047-A1049 PolarHBondContact OG-N 3.21Å; S1047-S1050 PolarHBondContact N-OG 3.01Å; S1047-S1050 WeakPolarHBondContact O-CB 3.26Å; S1047-S1050 PolarHBondContact O-N 3.22Å; S1047-S1050 PolarHBondContact O-OG 3.42Å; S1047-S1050 PolarHBondContact OG-N 2.89Å; S1047-D1051 PolarHBondContact O-N 3.41Å
1048F96.8Very high95.5Very high53 Ų5324.3 Ų24.323%0.23212%0.12CC..Hα-helixtrans-54.7-40.1169.3-57.9-48.3000111.6H983 R986 V988 I1016 S1050 D1051 V1052H983-F1048 HydrophobicContact CB-CD1 4Å; H983-F1048 HydrophobicContact CB-CE1 4.33Å; H983-F1048 AromaticContact CD2-CD1 3.66Å; H983-F1048 AromaticContact CE1-CD1 3.96Å; H983-F1048 PolarHBondContact CE1-O 2.88Å; H983-F1048 AromaticContact CG-CD1 3.56Å; H983-F1048 AromaticContact ND1-CD1 3.77Å; H983-F1048 AromaticContact ND1-CG 3.91Å; H983-F1048 AromaticContact NE2-CD1 3.9Å; R986-F1048 HydrophobicContact CB-CZ 4.13Å; R986-F1048 HydrophobicContact CG-CZ 4.41Å; V988-F1048 HydrophobicContact CG2-CD1 3.86Å; V988-F1048 HydrophobicContact CG2-CE1 3.99Å; I1016-F1048 HydrophobicContact CB-CZ 4.4Å; I1016-F1048 HydrophobicContact CD1-CD1 4.32Å; I1016-F1048 HydrophobicContact CD1-CE1 3.95Å; I1016-F1048 HydrophobicContact CD1-CE2 4.34Å; I1016-F1048 HydrophobicContact CD1-CZ 3.96Å; F1048-S1050 PolarHBondContact O-N 3.18Å; F1048-D1051 PolarHBondContact O-N 3.11Å; F1048-V1052 PolarHBondContact O-N 3.35Å
1049A97.5Very high95.7Very high22 Ų2223.4 Ų23.418%0.18212%0.116CC..Hα-helixtrans-66.9-20.7176.100000113.8S1047 V1052 W1053 P1124 R1127S1047-A1049 PolarHBondContact O-N 3.29Å; S1047-A1049 PolarHBondContact OG-N 3.21Å; A1049-V1052 PolarHBondContact O-N 2.82Å; A1049-W1053 PolarHBondContact O-N 2.9Å; A1049-P1124 HydrophobicContact CB-CB 3.82Å; A1049-P1124 WeakPolarHBondContact CB-O 3.38Å; A1049-R1127 WeakPolarHBondContact O-CD 3.35Å; A1049-R1127 PolarHBondContact O-NH1 3.02Å
1050S97.6Very high95.8Very high2 Ų222.5 Ų22.51%0.01411%0.111CC..Hα-helixtrans-73.9-34.4173.971.40000112.8C1040 F1046 S1047 F1048 V1052 W1053 S1054C1040-S1050 WeakPolarHBondContact SG-CB 3.33Å; F1046-S1050 WeakPolarHBondContact CA-OG 3.29Å; S1047-S1050 PolarHBondContact N-OG 3.01Å; S1047-S1050 WeakPolarHBondContact O-CB 3.26Å; S1047-S1050 PolarHBondContact O-N 3.22Å; S1047-S1050 PolarHBondContact O-OG 3.42Å; S1047-S1050 PolarHBondContact OG-N 2.89Å; F1048-S1050 PolarHBondContact O-N 3.18Å; S1050-V1052 VanDerWaalsContact C-N 3.27Å; S1050-V1052 PolarHBondContact O-N 3.24Å; S1050-W1053 WeakPolarHBondContact O-CB 3.49Å; S1050-W1053 PolarHBondContact O-N 3.2Å; S1050-S1054 PolarHBondContact O-N 3.24Å; S1050-S1054 PolarHBondContact O-OG 3.27Å
1051D98Very high95.9Very high1 Ų123.1 Ų23.11%0.00511%0.114CC..Hα-helixtrans-68.1-30.2172.5-80.5-22.2000111.6M979 H983 V988 H989 R990 S1047 F1048 W1053 S1054 F1055 F1130M979-D1051 HydrophobicContact CE-CB 3.64Å; M979-D1051 VanDerWaalsContact CE-OD2 3.26Å; M979-D1051 WeakPolarHBondContact CE-OD2 3.44Å; H983-D1051 IonicContact CD2-OD2 2.93Å; H983-D1051 IonicContact CE1-OD2 3.87Å; H983-D1051 IonicContact NE2-OD2 3.5Å; H983-D1051 PolarHBondContact NE2-OD2 3.45Å; V988-D1051 WeakPolarHBondContact CA-OD2 3.43Å; V988-D1051 WeakPolarHBondContact CG1-OD1 3.36Å; V988-D1051 VanDerWaalsContact CG1-OD2 3.29Å; V988-D1051 WeakPolarHBondContact CG1-OD2 3.47Å; H989-D1051 PolarHBondContact N-OD1 3.38Å; H989-D1051 PolarHBondContact N-OD2 3.49Å; R990-D1051 PolarHBondContact N-OD1 3.32Å; S1047-D1051 PolarHBondContact O-N 3.41Å; F1048-D1051 PolarHBondContact O-N 3.11Å; D1051-W1053 VanDerWaalsContact C-N 3.3Å; D1051-W1053 PolarHBondContact O-N 3.07Å; D1051-S1054 PolarHBondContact O-N 3.49Å; D1051-F1055 PolarHBondContact O-N 3.27Å; D1051-F1130 HydrophobicContact CB-CE2 3.95Å; D1051-F1130 HydrophobicContact CB-CZ 4.31Å
1052V98.4Very high96.1Very high4 Ų422.1 Ų22.12%0.02411%0.109CC..Hα-helixtrans-63.3-38.8174.3176.20000110.8F1048 A1049 S1050 F1055 G1056 C1119 R1127 P1128 F1130 L1133F1048-V1052 PolarHBondContact O-N 3.35Å; A1049-V1052 PolarHBondContact O-N 2.82Å; S1050-V1052 VanDerWaalsContact C-N 3.27Å; S1050-V1052 PolarHBondContact O-N 3.24Å; V1052-F1055 WeakPolarHBondContact O-CB 3.13Å; V1052-F1055 PolarHBondContact O-N 2.87Å; V1052-G1056 PolarHBondContact O-N 3.27Å; V1052-C1119 HydrophobicContact CG1-CB 4.19Å; V1052-R1127 HydrophobicContact CG1-CB 4.11Å; V1052-P1128 HydrophobicContact CG1-CG 4.31Å; V1052-P1128 VanDerWaalsContact CG1-O 3.28Å; V1052-P1128 WeakPolarHBondContact CG1-O 3.41Å; V1052-P1128 VanDerWaalsContact CG2-O 3.32Å; V1052-P1128 WeakPolarHBondContact CG2-O 3.36Å; V1052-F1130 HydrophobicContact CG2-CD2 4.18Å; V1052-F1130 HydrophobicContact CG2-CE2 3.96Å; V1052-F1130 HydrophobicContact CG2-CZ 4.25Å; V1052-L1133 HydrophobicContact CG1-CD1 4.21Å
1053W98.4Very high96.2Very high6 Ų617.6 Ų17.62%0.0239%0.09CC..Hα-helixtrans-61.9-48.3171.9179.8-71.6000111.4Y1036 A1037 A1049 S1050 D1051 F1055 G1056 V1057 L1096 C1119 W1120Y1036-W1053 PolarHBondContact O-NE1 3Å; A1037-W1053 HydrophobicContact CB-CB 3.74Å; A1037-W1053 HydrophobicContact CB-CD2 3.86Å; A1037-W1053 HydrophobicContact CB-CE3 4.17Å; A1037-W1053 HydrophobicContact CB-CG 3.67Å; A1049-W1053 PolarHBondContact O-N 2.9Å; S1050-W1053 WeakPolarHBondContact O-CB 3.49Å; S1050-W1053 PolarHBondContact O-N 3.2Å; D1051-W1053 VanDerWaalsContact C-N 3.3Å; D1051-W1053 PolarHBondContact O-N 3.07Å; W1053-F1055 PolarHBondContact O-N 2.82Å; W1053-G1056 WeakPolarHBondContact O-CA 3.18Å; W1053-G1056 PolarHBondContact O-N 2.91Å; W1053-V1057 PolarHBondContact O-N 3.07Å; W1053-V1057 VanDerWaalsContact O-N 3.13Å; W1053-L1096 HydrophobicContact CH2-CD2 4.22Å; W1053-L1096 HydrophobicContact CZ2-CD1 3.97Å; W1053-L1096 HydrophobicContact CZ2-CD2 3.86Å; W1053-L1096 HydrophobicContact CZ2-CG 4.47Å; W1053-C1119 WeakPolarHBondContact CA-O 3.34Å; W1053-W1120 AromaticContact CD2-CD1 3.84Å; W1053-W1120 AromaticContact CE2-CD1 3.91Å; W1053-W1120 HydrophobicContact CE3-CB 4.23Å; W1053-W1120 HydrophobicContact CH2-CB 4.28Å; W1053-W1120 VanDerWaalsContact CZ3-C 3.46Å; W1053-W1120 HydrophobicContact CZ3-CB 4.08Å; W1053-W1120 WeakPolarHBondContact CZ3-O 3.49Å
1054S98.3Very high96.4Very high4 Ų414.1 Ų14.13%0.0287%0.074CC..Hα-helixtrans-59.5-36.2176.7-56.50000112W1035 S1050 D1051 V1057 T1058W1035-S1054 VanDerWaalsContact O-CA 3.3Å; W1035-S1054 WeakPolarHBondContact O-CA 3.1Å; W1035-S1054 WeakPolarHBondContact O-CB 3.32Å; W1035-S1054 PolarHBondContact O-OG 3.35Å; S1050-S1054 PolarHBondContact O-N 3.24Å; S1050-S1054 PolarHBondContact O-OG 3.27Å; D1051-S1054 PolarHBondContact O-N 3.49Å; S1054-V1057 PolarHBondContact O-N 3.28Å; S1054-T1058 PolarHBondContact O-N 2.87Å; S1054-T1058 PolarHBondContact O-OG1 2.83Å
1055F98.5Very high96.4Very high0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-62.9-42.3171.2170.9-99.9000112.3A972 I975 C976 L992 D1051 V1052 W1053 V1057 T1058 L1059 F1130 L1133 F1137A972-F1055 HydrophobicContact CB-CE2 4.3Å; A972-F1055 HydrophobicContact CB-CZ 4.09Å; A972-F1055 WeakPolarHBondContact O-CE2 3.16Å; I975-F1055 HydrophobicContact CB-CD2 4.46Å; I975-F1055 HydrophobicContact CB-CE2 4.25Å; I975-F1055 HydrophobicContact CG2-CD2 3.85Å; I975-F1055 HydrophobicContact CG2-CE2 4.14Å; C976-F1055 WeakPolarHBondContact SG-CE2 3.38Å; C976-F1055 WeakPolarHBondContact SG-CZ 3.38Å; L992-F1055 HydrophobicContact CD2-CB 3.76Å; L992-F1055 HydrophobicContact CD2-CD2 4.46Å; D1051-F1055 PolarHBondContact O-N 3.27Å; V1052-F1055 WeakPolarHBondContact O-CB 3.13Å; V1052-F1055 PolarHBondContact O-N 2.87Å; W1053-F1055 PolarHBondContact O-N 2.82Å; F1055-V1057 VanDerWaalsContact C-N 3.27Å; F1055-V1057 PolarHBondContact O-N 2.83Å; F1055-T1058 CarbonylContact O-C 3.46Å; F1055-T1058 WeakPolarHBondContact O-CB 3.36Å; F1055-T1058 PolarHBondContact O-N 2.96Å; F1055-T1058 VanDerWaalsContact O-N 3.12Å; F1055-L1059 HydrophobicContact CE1-CB 4.48Å; F1055-L1059 HydrophobicContact CE1-CD2 4.37Å; F1055-L1059 HydrophobicContact CZ-CB 4.41Å; F1055-L1059 WeakPolarHBondContact O-CB 3.14Å; F1055-L1059 PolarHBondContact O-N 3.39Å; F1055-F1130 HydrophobicContact CB-CE1 3.59Å; F1055-F1130 HydrophobicContact CB-CZ 3.77Å; F1055-F1130 HydrophobicContact CD1-CE1 4.19Å; F1055-F1130 HydrophobicContact CD2-CE1 4.06Å; F1055-F1130 AromaticContact CG-CE1 3.66Å; F1055-F1130 HydrophobicContact CG-CE1 3.66Å; F1055-F1130 HydrophobicContact CG-CZ 4.36Å; F1055-L1133 HydrophobicContact CD1-CD1 3.76Å; F1055-L1133 HydrophobicContact CE1-CD1 3.83Å; F1055-F1137 AromaticContact CE1-CE2 3.69Å; F1055-F1137 HydrophobicContact CE1-CE2 3.69Å; F1055-F1137 HydrophobicContact CE1-CZ 4.06Å; F1055-F1137 HydrophobicContact CZ-CD2 4.48Å; F1055-F1137 AromaticContact CZ-CE2 3.53Å; F1055-F1137 HydrophobicContact CZ-CE2 3.53Å; F1055-F1137 AromaticContact CZ-CZ 3.94Å; F1055-F1137 HydrophobicContact CZ-CZ 3.94Å
1056G97.8Very high96.3Very high0 Ų011.4 Ų11.40%06%0.06CC..Hα-helixtrans-56.4-42.117400000112.4V1052 W1053 L1059 Y1060 W1120V1052-G1056 PolarHBondContact O-N 3.27Å; W1053-G1056 WeakPolarHBondContact O-CA 3.18Å; W1053-G1056 PolarHBondContact O-N 2.91Å; G1056-L1059 WeakPolarHBondContact O-CB 3.07Å; G1056-L1059 PolarHBondContact O-N 3.01Å; G1056-Y1060 PolarHBondContact O-N 3.23Å; G1056-Y1060 VanDerWaalsContact O-N 3.08Å; G1056-W1120 VanDerWaalsContact C-NE1 3.34Å; G1056-W1120 VanDerWaalsContact O-CZ2 3.27Å; G1056-W1120 WeakPolarHBondContact O-CZ2 3.28Å
1057V98.1Very high96.1Very high1 Ų113.5 Ų13.51%0.0067%0.071CC..Hα-helixtrans-67.3-41174.9-174.20000111.5W1035 W1053 S1054 F1055 L1059 Y1060 E1061 P1072 L1102 W1120W1035-V1057 HydrophobicContact CD2-CG1 4.06Å; W1035-V1057 HydrophobicContact CG-CB 4.15Å; W1035-V1057 HydrophobicContact CG-CG1 3.84Å; W1053-V1057 PolarHBondContact O-N 3.07Å; W1053-V1057 VanDerWaalsContact O-N 3.13Å; S1054-V1057 PolarHBondContact O-N 3.28Å; F1055-V1057 VanDerWaalsContact C-N 3.27Å; F1055-V1057 PolarHBondContact O-N 2.83Å; V1057-L1059 VanDerWaalsContact C-N 3.34Å; V1057-L1059 PolarHBondContact O-N 3.36Å; V1057-Y1060 WeakPolarHBondContact O-CB 3.06Å; V1057-Y1060 PolarHBondContact O-N 3.41Å; V1057-E1061 PolarHBondContact O-N 2.9Å; V1057-P1072 HydrophobicContact CG1-CB 3.98Å; V1057-P1072 HydrophobicContact CG1-CG 3.65Å; V1057-L1102 HydrophobicContact CG1-CD1 4.11Å; V1057-W1120 HydrophobicContact CG2-CZ2 4.38Å
1058T97.9Very high95.7Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-63.1-39.5175.2-55.70000112I975 L992 A993 S1054 F1055 Y1060 E1061 I1062I975-T1058 HydrophobicContact CD1-CG2 4.29Å; L992-T1058 PolarHBondContact O-OG1 3.3Å; L992-T1058 VanDerWaalsContact O-OG1 3.07Å; A993-T1058 WeakPolarHBondContact CA-OG1 3.4Å; S1054-T1058 PolarHBondContact O-N 2.87Å; S1054-T1058 PolarHBondContact O-OG1 2.83Å; F1055-T1058 CarbonylContact O-C 3.46Å; F1055-T1058 WeakPolarHBondContact O-CB 3.36Å; F1055-T1058 PolarHBondContact O-N 2.96Å; F1055-T1058 VanDerWaalsContact O-N 3.12Å; T1058-Y1060 VanDerWaalsContact C-N 3.32Å; T1058-Y1060 PolarHBondContact O-N 3.34Å; T1058-E1061 WeakPolarHBondContact O-CB 3.45Å; T1058-E1061 PolarHBondContact O-N 3.49Å; T1058-I1062 HydrophobicContact CG2-CD1 4.07Å; T1058-I1062 VanDerWaalsContact O-CG1 3.28Å; T1058-I1062 WeakPolarHBondContact O-CG1 3.42Å; T1058-I1062 PolarHBondContact O-N 2.71Å
1059L97.3Very high95.2Very high0 Ų025.2 Ų25.20%012%0.116CC..Hα-helixtrans-61.9-41.6175.2177.664000110.9A972 F1055 G1056 V1057 I1062 L1063 V1112 M1116 F1137A972-L1059 HydrophobicContact CB-CD1 3.7Å; F1055-L1059 HydrophobicContact CE1-CB 4.48Å; F1055-L1059 HydrophobicContact CE1-CD2 4.37Å; F1055-L1059 HydrophobicContact CZ-CB 4.41Å; F1055-L1059 WeakPolarHBondContact O-CB 3.14Å; F1055-L1059 PolarHBondContact O-N 3.39Å; G1056-L1059 WeakPolarHBondContact O-CB 3.07Å; G1056-L1059 PolarHBondContact O-N 3.01Å; V1057-L1059 VanDerWaalsContact C-N 3.34Å; V1057-L1059 PolarHBondContact O-N 3.36Å; L1059-I1062 PolarHBondContact O-N 2.88Å; L1059-L1063 HydrophobicContact CD1-CD1 4.04Å; L1059-L1063 HydrophobicContact CD1-CG 4.24Å; L1059-L1063 HydrophobicContact CG-CD1 3.91Å; L1059-L1063 HydrophobicContact CG-CG 4.5Å; L1059-L1063 WeakPolarHBondContact O-CB 3.4Å; L1059-L1063 VanDerWaalsContact O-CG 3.25Å; L1059-L1063 WeakPolarHBondContact O-CG 3.33Å; L1059-L1063 PolarHBondContact O-N 2.87Å; L1059-V1112 HydrophobicContact CD2-CG1 4.24Å; L1059-M1116 HydrophobicContact CD2-CB 4.13Å; L1059-M1116 HydrophobicContact CD2-CE 4.48Å; L1059-M1116 HydrophobicContact CD2-CG 4.19Å; L1059-F1137 HydrophobicContact CD1-CE1 4.27Å; L1059-F1137 HydrophobicContact CD1-CZ 4.12Å; L1059-F1137 HydrophobicContact CD2-CE1 4.34Å; L1059-F1137 HydrophobicContact CD2-CZ 3.74Å
1060Y96.8Very high94.9Very high1 Ų126.6 Ų26.60%0.00412%0.119CC..Hα-helixtrans-60.3-43.7173170.9-89000112.2G1056 V1057 T1058 I1062 L1063 T1064 Q1070 P1072 K1075 L1102 P1103 P1105 M1116 W1120G1056-Y1060 PolarHBondContact O-N 3.23Å; G1056-Y1060 VanDerWaalsContact O-N 3.08Å; V1057-Y1060 WeakPolarHBondContact O-CB 3.06Å; V1057-Y1060 PolarHBondContact O-N 3.41Å; T1058-Y1060 VanDerWaalsContact C-N 3.32Å; T1058-Y1060 PolarHBondContact O-N 3.34Å; Y1060-I1062 VanDerWaalsContact C-N 3.32Å; Y1060-I1062 PolarHBondContact O-N 2.66Å; Y1060-L1063 PolarHBondContact O-N 2.86Å; Y1060-T1064 HydrophobicContact CD1-CG2 4.47Å; Y1060-T1064 HydrophobicContact CD2-CG2 4.28Å; Y1060-T1064 HydrophobicContact CE1-CG2 4.03Å; Y1060-T1064 HydrophobicContact CE2-CG2 3.76Å; Y1060-T1064 WeakPolarHBondContact O-CB 3.37Å; Y1060-T1064 WeakPolarHBondContact O-CG2 3.43Å; Y1060-T1064 PolarHBondContact O-N 2.89Å; Y1060-T1064 PolarHBondContact O-OG1 3.41Å; Y1060-Q1070 WeakPolarHBondContact CE1-O 3.14Å; Y1060-Q1070 VanDerWaalsContact CZ-O 3.28Å; Y1060-Q1070 PolarHBondContact OH-O 3.29Å; Y1060-P1072 HydrophobicContact CD1-CG 4.15Å; Y1060-P1072 HydrophobicContact CE1-CG 4.33Å; Y1060-K1075 WeakPolarHBondContact OH-CG 3.38Å; Y1060-L1102 HydrophobicContact CD1-CD1 3.72Å; Y1060-L1102 HydrophobicContact CD2-CB 3.98Å; Y1060-L1102 HydrophobicContact CD2-CD1 4.43Å; Y1060-L1102 HydrophobicContact CE1-CD1 4.11Å; Y1060-L1102 HydrophobicContact CE1-CD2 4.27Å; Y1060-L1102 HydrophobicContact CE2-CB 4.03Å; Y1060-L1102 HydrophobicContact CG-CB 4.29Å; Y1060-L1102 HydrophobicContact CG-CD1 3.9Å; Y1060-P1103 HydrophobicContact CE2-CG 4.38Å; Y1060-P1103 WeakPolarHBondContact CE2-O 3.42Å; Y1060-P1105 HydrophobicContact CD2-CG 3.61Å; Y1060-P1105 HydrophobicContact CE2-CG 3.91Å; Y1060-M1116 HydrophobicContact CD2-SD 4.36Å; Y1060-W1120 HydrophobicContact CD2-CH2 4.44Å; Y1060-W1120 HydrophobicContact CG-CH2 4.48Å
1061E96.8Very high94.7Very high15 Ų1528 Ų287%0.0713%0.129CC..Hα-helixtrans-59.9-43.5173.9-65.1-179.89500111.7A994 W1035 V1057 T1058 L1063 T1064 R1065 C1066 P1072A994-E1061 HydrophobicContact CB-CB 3.95Å; A994-E1061 HydrophobicContact CB-CG 4.47Å; A994-E1061 PolarHBondContact N-OE2 3.05Å; W1035-E1061 VanDerWaalsContact CZ2-CD 3.41Å; W1035-E1061 HydrophobicContact CZ2-CG 4.23Å; W1035-E1061 WeakPolarHBondContact CZ2-OE1 3.47Å; W1035-E1061 PolarHBondContact NE1-OE2 3.42Å; V1057-E1061 PolarHBondContact O-N 2.9Å; T1058-E1061 WeakPolarHBondContact O-CB 3.45Å; T1058-E1061 PolarHBondContact O-N 3.49Å; E1061-L1063 VanDerWaalsContact C-N 3.34Å; E1061-L1063 PolarHBondContact O-N 2.82Å; E1061-T1064 WeakPolarHBondContact CA-OG1 3.15Å; E1061-T1064 PolarHBondContact O-N 3.48Å; E1061-T1064 PolarHBondContact O-OG1 3.34Å; E1061-R1065 PolarHBondContact O-N 2.96Å; E1061-R1065 VanDerWaalsContact O-N 3.08Å; E1061-C1066 PolarHBondContact O-N 2.88Å; E1061-P1072 HydrophobicContact CG-CG 3.95Å
1062I95.1Very high94.4Very high0 Ų028 Ų280%013%0.129CC..Hα-helixtrans-62.6-42.7-179.6-71.8168.1000110.9L954 L958 C968 I975 T1058 L1059 Y1060 R1065L954-I1062 HydrophobicContact CD1-CD1 4.08Å; L954-I1062 HydrophobicContact CD1-CG1 4.16Å; L958-I1062 HydrophobicContact CD1-CB 4.32Å; L958-I1062 HydrophobicContact CD1-CG1 4.19Å; L958-I1062 HydrophobicContact CD1-CG2 4.44Å; C968-I1062 HydrophobicContact CB-CG2 3.53Å; C968-I1062 WeakPolarHBondContact SG-CG2 3.23Å; C968-I1062 PolarHBondContact SG-O 3.33Å; I975-I1062 HydrophobicContact CD1-CD1 3.51Å; T1058-I1062 HydrophobicContact CG2-CD1 4.07Å; T1058-I1062 VanDerWaalsContact O-CG1 3.28Å; T1058-I1062 WeakPolarHBondContact O-CG1 3.42Å; T1058-I1062 PolarHBondContact O-N 2.71Å; L1059-I1062 PolarHBondContact O-N 2.88Å; Y1060-I1062 VanDerWaalsContact C-N 3.32Å; Y1060-I1062 PolarHBondContact O-N 2.66Å; I1062-R1065 PolarHBondContact O-N 2.78Å
1063L93.3Very high94.1Very high17 Ų1729.5 Ų29.59%0.08914%0.138CC..Hα-helixtrans-74.9-32.5-178.7-67.3168.5000112.6L1059 Y1060 E1061 R1065 P1105 V1112 M1116L1059-L1063 HydrophobicContact CD1-CD1 4.04Å; L1059-L1063 HydrophobicContact CD1-CG 4.24Å; L1059-L1063 HydrophobicContact CG-CD1 3.91Å; L1059-L1063 HydrophobicContact CG-CG 4.5Å; L1059-L1063 WeakPolarHBondContact O-CB 3.4Å; L1059-L1063 VanDerWaalsContact O-CG 3.25Å; L1059-L1063 WeakPolarHBondContact O-CG 3.33Å; L1059-L1063 PolarHBondContact O-N 2.87Å; Y1060-L1063 PolarHBondContact O-N 2.86Å; E1061-L1063 VanDerWaalsContact C-N 3.34Å; E1061-L1063 PolarHBondContact O-N 2.82Å; L1063-R1065 PolarHBondContact O-N 3.18Å; L1063-P1105 HydrophobicContact CB-CB 3.87Å; L1063-P1105 HydrophobicContact CB-CG 3.79Å; L1063-P1105 HydrophobicContact CD1-CG 4.3Å; L1063-V1112 HydrophobicContact CD1-CG1 3.78Å; L1063-M1116 HydrophobicContact CD1-CE 3.39Å
1064T92.6Very high93.7Very high10 Ų1030.8 Ų30.86%0.06115%0.15CC..THydrogen-bonded Turntrans-81.13.5171.856.40000113.5Y1060 E1061 C1066 D1067 Q1070 P1105Y1060-T1064 HydrophobicContact CD1-CG2 4.47Å; Y1060-T1064 HydrophobicContact CD2-CG2 4.28Å; Y1060-T1064 HydrophobicContact CE1-CG2 4.03Å; Y1060-T1064 HydrophobicContact CE2-CG2 3.76Å; Y1060-T1064 WeakPolarHBondContact O-CB 3.37Å; Y1060-T1064 WeakPolarHBondContact O-CG2 3.43Å; Y1060-T1064 PolarHBondContact O-N 2.89Å; Y1060-T1064 PolarHBondContact O-OG1 3.41Å; E1061-T1064 WeakPolarHBondContact CA-OG1 3.15Å; E1061-T1064 PolarHBondContact O-N 3.48Å; E1061-T1064 PolarHBondContact O-OG1 3.34Å; T1064-C1066 PolarHBondContact O-N 3.32Å; T1064-D1067 WeakPolarHBondContact O-CB 3.34Å; T1064-D1067 PolarHBondContact O-N 3.43Å; T1064-D1067 VanDerWaalsContact O-N 3.13Å; T1064-Q1070 HydrophobicContact CG2-CB 4.05Å; T1064-P1105 HydrophobicContact CG2-CB 3.88Å; T1064-P1105 HydrophobicContact CG2-CG 4.01Å
1065R91.9Very high93.4Very high63 Ų6332.4 Ų32.424%0.23816%0.157CC..THydrogen-bonded Turntrans59.230.5-179.9-45.8-56.2178.1146.89.3113.3L958 P959 T963 C968 E1061 I1062 L1063 D1067L958-R1065 HydrophobicContact CB-CB 4.46Å; P959-R1065 WeakPolarHBondContact CG-O 3.34Å; T963-R1065 VanDerWaalsContact C-NH1 3.26Å; T963-R1065 PolarHBondContact O-NH1 3.43Å; T963-R1065 PolarHBondContact O-NH2 3.2Å; C968-R1065 VanDerWaalsContact SG-CZ 3.56Å; C968-R1065 PolarHBondContact SG-NH1 2.92Å; E1061-R1065 PolarHBondContact O-N 2.96Å; E1061-R1065 VanDerWaalsContact O-N 3.08Å; I1062-R1065 PolarHBondContact O-N 2.78Å; L1063-R1065 PolarHBondContact O-N 3.18Å; R1065-D1067 PolarHBondContact O-N 2.95Å
1066C91.8Very high93Very high19 Ų1932.8 Ų32.813%0.12816%0.158CC..THydrogen-bonded Turntrans52.232.2-174.5-60.20000113.2P959 E1061 T1064 H1068P959-C1066 HydrophobicContact CG-CB 3.96Å; E1061-C1066 PolarHBondContact O-N 2.88Å; T1064-C1066 PolarHBondContact O-N 3.32Å; C1066-H1068 PolarHBondContact O-N 3.34Å
1067D89.5Confident92.5Very high47 Ų4735.9 Ų35.925%0.25118%0.175SC..  trans-60.6119.1173.7177.35.5000110T1064 R1065 R1069 Q1070 S1071T1064-D1067 WeakPolarHBondContact O-CB 3.34Å; T1064-D1067 PolarHBondContact O-N 3.43Å; T1064-D1067 VanDerWaalsContact O-N 3.13Å; R1065-D1067 PolarHBondContact O-N 2.95Å; D1067-R1069 PolarHBondContact O-N 2.86Å; D1067-R1069 VanDerWaalsContact O-N 3.11Å; D1067-R1069 PolarHBondContact OD1-N 2.68Å; D1067-Q1070 HydrophobicContact CB-CB 4.29Å; D1067-Q1070 CarbonylContact O-C 3.58Å; D1067-Q1070 WeakPolarHBondContact O-CA 3.37Å; D1067-Q1070 PolarHBondContact O-N 3.4Å; D1067-Q1070 PolarHBondContact OD2-NE2 2.9Å; D1067-S1071 PolarHBondContact O-N 2.88Å
1068H86.8Confident92Very high134 Ų13442.2 Ų42.262%0.6220%0.204SC*.G310 helixtrans-50-37.1179.168.1-59.2000113.7C1066 Q1070 S1071C1066-H1068 PolarHBondContact O-N 3.34Å; H1068-Q1070 VanDerWaalsContact C-N 3.27Å; H1068-Q1070 PolarHBondContact O-N 3.01Å; H1068-S1071 WeakPolarHBondContact O-CB 3.41Å; H1068-S1071 PolarHBondContact O-N 2.86Å; H1068-S1071 PolarHBondContact O-OG 2.75Å
1069R88.1Confident91.4Very high184 Ų18444.7 Ų44.769%0.69422%0.216SC*.G310 helixtrans-73-20.8179.6-60.5-175.9-177.6-1670.2113.2D1067D1067-R1069 PolarHBondContact O-N 2.86Å; D1067-R1069 VanDerWaalsContact O-N 3.11Å; D1067-R1069 PolarHBondContact OD1-N 2.68Å
1070Q90.7Very high90.6Very high50 Ų5046.1 Ų46.123%0.23423%0.225CC..G310 helixtrans-108.58.7178.7-63.7-179.273.600111.8Y1060 T1064 D1067 H1068Y1060-Q1070 WeakPolarHBondContact CE1-O 3.14Å; Y1060-Q1070 VanDerWaalsContact CZ-O 3.28Å; Y1060-Q1070 PolarHBondContact OH-O 3.29Å; T1064-Q1070 HydrophobicContact CG2-CB 4.05Å; D1067-Q1070 HydrophobicContact CB-CB 4.29Å; D1067-Q1070 CarbonylContact O-C 3.58Å; D1067-Q1070 WeakPolarHBondContact O-CA 3.37Å; D1067-Q1070 PolarHBondContact O-N 3.4Å; D1067-Q1070 PolarHBondContact OD2-NE2 2.9Å; H1068-Q1070 VanDerWaalsContact C-N 3.27Å; H1068-Q1070 PolarHBondContact O-N 3.01Å
1071S92Very high89.1Confident33 Ų3354.3 Ų54.323%0.23126%0.263CS..SBendtrans-60.6151-179.965.10000112.1D1067 H1068 A1074 K1075D1067-S1071 PolarHBondContact O-N 2.88Å; H1068-S1071 WeakPolarHBondContact O-CB 3.41Å; H1068-S1071 PolarHBondContact O-N 2.86Å; H1068-S1071 PolarHBondContact O-OG 2.75Å; S1071-A1074 PolarHBondContact O-N 3.29Å; S1071-A1074 VanDerWaalsContact O-N 3.11Å; S1071-A1074 WeakPolarHBondContact OG-CB 3.38Å; S1071-K1075 PolarHBondContact O-N 3.26Å
1072P93.3Very high87.5Confident1 Ų158.5 Ų58.51%0.00629%0.286CS..Hα-helixtrans-51.6-46179.7-25.833.1000113.9W1035 V1057 Y1060 E1061 A1074 K1075 F1076 L1102W1035-P1072 HydrophobicContact CH2-CB 4.37Å; W1035-P1072 HydrophobicContact CH2-CG 4.16Å; W1035-P1072 HydrophobicContact CZ2-CB 4.38Å; W1035-P1072 HydrophobicContact CZ2-CG 3.77Å; V1057-P1072 HydrophobicContact CG1-CB 3.98Å; V1057-P1072 HydrophobicContact CG1-CG 3.65Å; Y1060-P1072 HydrophobicContact CD1-CG 4.15Å; Y1060-P1072 HydrophobicContact CE1-CG 4.33Å; E1061-P1072 HydrophobicContact CG-CG 3.95Å; P1072-A1074 PolarHBondContact O-N 3.35Å; P1072-K1075 PolarHBondContact O-N 3.03Å; P1072-F1076 HydrophobicContact CB-CD2 4.46Å; P1072-F1076 HydrophobicContact CB-CE2 4.44Å; P1072-F1076 WeakPolarHBondContact O-CD2 3.26Å; P1072-F1076 PolarHBondContact O-N 2.83Å; P1072-L1102 HydrophobicContact CB-CD1 4.11Å; P1072-L1102 HydrophobicContact CB-CD2 4.35Å; P1072-L1102 HydrophobicContact CG-CD1 4.31Å
1073P90.9Very high85.7Confident34 Ų3469 Ų6922%0.22133%0.331CS..Hα-helixtrans-59.7-47.2176.6-22.333.7000112.8Y1034 W1035 K1075 F1076 I1077Y1034-P1073 HydrophobicContact CD1-CB 4.49Å; Y1034-P1073 HydrophobicContact CD2-CB 4.05Å; Y1034-P1073 HydrophobicContact CD2-CG 3.68Å; Y1034-P1073 HydrophobicContact CE1-CB 4.27Å; Y1034-P1073 HydrophobicContact CE2-CB 3.81Å; Y1034-P1073 HydrophobicContact CE2-CG 3.91Å; Y1034-P1073 HydrophobicContact CG-CB 4.37Å; Y1034-P1073 HydrophobicContact CG-CG 4.06Å; W1035-P1073 HydrophobicContact CH2-CG 4.39Å; W1035-P1073 HydrophobicContact CZ3-CG 4.46Å; P1073-K1075 VanDerWaalsContact C-N 3.32Å; P1073-K1075 PolarHBondContact O-N 2.68Å; P1073-F1076 PolarHBondContact O-N 3.41Å; P1073-I1077 WeakPolarHBondContact O-CD1 3.35Å; P1073-I1077 VanDerWaalsContact O-CG1 3.25Å; P1073-I1077 WeakPolarHBondContact O-CG1 3.45Å; P1073-I1077 PolarHBondContact O-N 3.46Å
1074A90.5Very high83.9Confident33 Ų3374.3 Ų74.327%0.27336%0.356SS..Hα-helixtrans-60.3-41.9-179.100000111.9S1071 P1072 I1077 E1078S1071-A1074 PolarHBondContact O-N 3.29Å; S1071-A1074 VanDerWaalsContact O-N 3.11Å; S1071-A1074 WeakPolarHBondContact OG-CB 3.38Å; P1072-A1074 PolarHBondContact O-N 3.35Å; A1074-I1077 PolarHBondContact O-N 3.36Å; A1074-E1078 PolarHBondContact O-N 3.09Å
1075K92.1Very high82.3Confident38 Ų3881.7 Ų81.717%0.16539%0.39CS..Hα-helixtrans-73.6-38179.8-72.8-63.6177.2-168.10113.8Y1060 S1071 P1072 P1073 I1077 E1078 M1079 L1102 P1103Y1060-K1075 WeakPolarHBondContact OH-CG 3.38Å; S1071-K1075 PolarHBondContact O-N 3.26Å; P1072-K1075 PolarHBondContact O-N 3.03Å; P1073-K1075 VanDerWaalsContact C-N 3.32Å; P1073-K1075 PolarHBondContact O-N 2.68Å; K1075-I1077 VanDerWaalsContact C-N 3.31Å; K1075-I1077 PolarHBondContact O-N 3.46Å; K1075-E1078 WeakPolarHBondContact CD-OE2 3.49Å; K1075-E1078 IonicContact NZ-OE1 2.74Å; K1075-E1078 IonicContact NZ-OE2 2.85Å; K1075-E1078 PolarHBondContact NZ-OE2 2.85Å; K1075-E1078 PolarHBondContact O-N 3.47Å; K1075-M1079 VanDerWaalsContact O-CG 3.24Å; K1075-M1079 WeakPolarHBondContact O-CG 3.29Å; K1075-M1079 PolarHBondContact O-N 3.01Å; K1075-M1079 VanDerWaalsContact O-N 3.16Å; K1075-L1102 HydrophobicContact CB-CD2 3.76Å; K1075-P1103 HydrophobicContact CD-CG 4.16Å; K1075-P1103 HydrophobicContact CG-CG 4.39Å
1076F89.9Confident81Confident8 Ų885.7 Ų85.74%0.03541%0.411CS..Hα-helixtrans-65.9-35.1173.6-79.2-59.4000112.4Y1034 P1072 P1073 M1079 T1080 M1087 L1092 L1095 L1096 L1102Y1034-F1076 HydrophobicContact CD1-CB 4.32Å; Y1034-F1076 AromaticContact CD1-CD2 3.81Å; Y1034-F1076 HydrophobicContact CD1-CD2 3.81Å; Y1034-F1076 HydrophobicContact CD1-CG 4.43Å; Y1034-F1076 HydrophobicContact CE1-CB 4.33Å; P1072-F1076 HydrophobicContact CB-CD2 4.46Å; P1072-F1076 HydrophobicContact CB-CE2 4.44Å; P1072-F1076 WeakPolarHBondContact O-CD2 3.26Å; P1072-F1076 PolarHBondContact O-N 2.83Å; P1073-F1076 PolarHBondContact O-N 3.41Å; F1076-M1079 HydrophobicContact CD1-SD 4.37Å; F1076-M1079 PolarHBondContact O-N 3Å; F1076-T1080 WeakPolarHBondContact O-CG2 3.42Å; F1076-M1087 HydrophobicContact CB-CE 4.16Å; F1076-L1092 HydrophobicContact CB-CD1 4.28Å; F1076-L1092 HydrophobicContact CD1-CD1 3.65Å; F1076-L1092 HydrophobicContact CD2-CD1 4.03Å; F1076-L1092 HydrophobicContact CE1-CD1 3.88Å; F1076-L1092 HydrophobicContact CE2-CD1 4.24Å; F1076-L1092 HydrophobicContact CG-CD1 3.74Å; F1076-L1092 HydrophobicContact CZ-CD1 4.17Å; F1076-L1095 HydrophobicContact CD1-CD1 4.33Å; F1076-L1096 HydrophobicContact CE1-CD2 4.07Å; F1076-L1096 HydrophobicContact CZ-CD2 4.25Å; F1076-L1102 HydrophobicContact CD2-CD2 4.03Å; F1076-L1102 HydrophobicContact CE1-CD2 4.46Å; F1076-L1102 HydrophobicContact CE1-CG 4.46Å; F1076-L1102 HydrophobicContact CE2-CD1 4.15Å; F1076-L1102 HydrophobicContact CE2-CD2 3.79Å; F1076-L1102 HydrophobicContact CE2-CG 3.89Å; F1076-L1102 HydrophobicContact CG-CD2 4.47Å; F1076-L1102 HydrophobicContact CZ-CD1 4.36Å; F1076-L1102 HydrophobicContact CZ-CD2 4.03Å; F1076-L1102 HydrophobicContact CZ-CG 3.8Å
1077I87.3Confident80.3Confident66 Ų6685.9 Ų85.934%0.33841%0.41SS..Hα-helixtrans-63.8-47.8173-68.5160.7000110.5P1073 A1074 K1075 M1079 T1080 M1087P1073-I1077 WeakPolarHBondContact O-CD1 3.35Å; P1073-I1077 VanDerWaalsContact O-CG1 3.25Å; P1073-I1077 WeakPolarHBondContact O-CG1 3.45Å; P1073-I1077 PolarHBondContact O-N 3.46Å; A1074-I1077 PolarHBondContact O-N 3.36Å; K1075-I1077 VanDerWaalsContact C-N 3.31Å; K1075-I1077 PolarHBondContact O-N 3.46Å; I1077-M1079 PolarHBondContact O-N 2.96Å; I1077-T1080 PolarHBondContact O-N 3.39Å; I1077-T1080 PolarHBondContact O-OG1 3.05Å; I1077-M1087 HydrophobicContact CD1-CB 4.49Å; I1077-M1087 HydrophobicContact CG1-CB 3.64Å; I1077-M1087 HydrophobicContact CG1-CG 4.48Å
1078E87.5Confident80.1Confident133 Ų13387.4 Ų87.462%0.62142%0.419SS*.Hα-helixtrans-59-29.7179.3-172.3-176.8158.400113.4A1074 K1075 T1080A1074-E1078 PolarHBondContact O-N 3.09Å; K1075-E1078 WeakPolarHBondContact CD-OE2 3.49Å; K1075-E1078 IonicContact NZ-OE1 2.74Å; K1075-E1078 IonicContact NZ-OE2 2.85Å; K1075-E1078 PolarHBondContact NZ-OE2 2.85Å; K1075-E1078 PolarHBondContact O-N 3.47Å; E1078-T1080 VanDerWaalsContact C-N 3.28Å; E1078-T1080 PolarHBondContact O-N 3.49Å
1079M85.9Confident80Confident53 Ų5383.6 Ų83.626%0.26141%0.405SS..THydrogen-bonded Turntrans-77.7-8.7178.6-69.9172.6-172.900114.2K1075 F1076 I1077 L1095 R1101 P1103K1075-M1079 VanDerWaalsContact O-CG 3.24Å; K1075-M1079 WeakPolarHBondContact O-CG 3.29Å; K1075-M1079 PolarHBondContact O-N 3.01Å; K1075-M1079 VanDerWaalsContact O-N 3.16Å; F1076-M1079 HydrophobicContact CD1-SD 4.37Å; F1076-M1079 PolarHBondContact O-N 3Å; I1077-M1079 PolarHBondContact O-N 2.96Å; M1079-L1095 HydrophobicContact CB-CD1 4.35Å; M1079-R1101 WeakPolarHBondContact CE-O 3.37Å; M1079-P1103 HydrophobicContact CE-CG 4.31Å
1080T79.6Confident79.9Confident29 Ų2979.1 Ų79.118%0.17840%0.397CS..  trans-83135.6179.263.40000111.2F1076 I1077 E1078 D1082 M1087 L1095F1076-T1080 WeakPolarHBondContact O-CG2 3.42Å; I1077-T1080 PolarHBondContact O-N 3.39Å; I1077-T1080 PolarHBondContact O-OG1 3.05Å; E1078-T1080 VanDerWaalsContact C-N 3.28Å; E1078-T1080 PolarHBondContact O-N 3.49Å; T1080-D1082 VanDerWaalsContact C-N 3.26Å; T1080-D1082 PolarHBondContact O-N 3.36Å; T1080-M1087 HydrophobicContact CG2-CE 4.04Å; T1080-M1087 HydrophobicContact CG2-SD 3.85Å; T1080-L1095 HydrophobicContact CG2-CD1 4Å
1081E64.6Low79.7Confident174 Ų17478.3 Ų78.381%0.81339%0.393SS*.SBendtrans-79.2-8.2179.7-66173.4175.200112.9
1082D64Low79.6Confident102 Ų10276.9 Ų76.955%0.54538%0.383SS..SBendtrans-89.9134.3-177.8-92.4-32.5000112.1T1080 E1084 K1091T1080-D1082 VanDerWaalsContact C-N 3.26Å; T1080-D1082 PolarHBondContact O-N 3.36Å; D1082-E1084 PolarHBondContact O-N 3.37Å; D1082-E1084 VanDerWaalsContact O-N 3.08Å; D1082-K1091 IonicContact OD2-NZ 2.77Å
1083K56.9Low79.5Confident220 Ų22078 Ų7896%0.95739%0.388SS*.  trans-72.59.3175.2-65.1-175.9178.7-179.60114.5
1084E56.9Low79.5Confident129 Ų12981.9 Ų81.960%0.60340%0.402SS*.  trans-81.1126.9175.5-73.5-174.7156.200110.5D1082 H1086 K1091D1082-E1084 PolarHBondContact O-N 3.37Å; D1082-E1084 VanDerWaalsContact O-N 3.08Å; E1084-H1086 PolarHBondContact O-N 3.37Å; E1084-K1091 IonicContact OE2-NZ 2.86Å; E1084-K1091 PolarHBondContact OE2-NZ 3.16Å
1085E57.9Low79.5Confident165 Ų16580.9 Ų80.977%0.77139%0.392SS*.SBendtrans-64.5-7.8-173.9-77.2-176.815000115.7
1086H64.8Low79.5Confident147 Ų14779.3 Ų79.368%0.68139%0.385SS*.  trans-119.5117.3-169.5-62.681.8000113E1084E1084-H1086 PolarHBondContact O-N 3.37Å
1087M77.9Confident79.6Confident24 Ų2483.8 Ų83.812%0.11841%0.406CS..  trans-76.6133.6169.7-176.754.2150.800110.5Y1034 F1076 I1077 T1080 K1091 L1092 L1095Y1034-M1087 HydrophobicContact CE1-CG 3.91Å; F1076-M1087 HydrophobicContact CB-CE 4.16Å; I1077-M1087 HydrophobicContact CD1-CB 4.49Å; I1077-M1087 HydrophobicContact CG1-CB 3.64Å; I1077-M1087 HydrophobicContact CG1-CG 4.48Å; T1080-M1087 HydrophobicContact CG2-CE 4.04Å; T1080-M1087 HydrophobicContact CG2-SD 3.85Å; M1087-K1091 HydrophobicContact CE-CB 4.3Å; M1087-K1091 HydrophobicContact SD-CB 3.58Å; M1087-K1091 VanDerWaalsContact SD-CB 3.58Å; M1087-L1092 HydrophobicContact CE-CB 3.68Å; M1087-L1092 HydrophobicContact CE-CD1 3.79Å; M1087-L1092 HydrophobicContact CE-CG 4.34Å; M1087-L1095 HydrophobicContact CE-CD1 3.42Å; M1087-L1095 VanDerWaalsContact CE-CD1 3.42Å; M1087-L1095 HydrophobicContact CE-CG 4.38Å
1088N83.9Confident79.8Confident79 Ų7988.4 Ų88.442%0.42242%0.419SS..  trans-123.8165.1174.971.434.7000111.2V1090 K1091 L1092N1088-V1090 VanDerWaalsContact C-N 3.26Å; N1088-V1090 PolarHBondContact O-N 3.02Å; N1088-V1090 PolarHBondContact OD1-N 3.5Å; N1088-K1091 PolarHBondContact O-N 3.07Å; N1088-K1091 WeakPolarHBondContact OD1-CG 3.21Å; N1088-K1091 PolarHBondContact OD1-N 3.41Å; N1088-L1092 PolarHBondContact O-N 3.29Å
1089V84.9Confident79.9Confident54 Ų5487.5 Ų87.533%0.32742%0.419SS..Hα-helixtrans-59.3-35.8-175.4174.50000112.3V1033 L1041 L1092 I1093V1033-V1089 HydrophobicContact CB-CG2 4.2Å; V1033-V1089 HydrophobicContact CG1-CG2 3.86Å; V1033-V1089 HydrophobicContact CG2-CG2 4.43Å; L1041-V1089 HydrophobicContact CB-CG1 4.38Å; L1041-V1089 HydrophobicContact CD2-CG1 4.06Å; V1089-L1092 PolarHBondContact O-N 3.18Å; V1089-I1093 HydrophobicContact CG1-CD1 3.83Å; V1089-I1093 HydrophobicContact CG1-CG1 4.32Å; V1089-I1093 VanDerWaalsContact O-CG1 3.27Å; V1089-I1093 WeakPolarHBondContact O-CG1 3.45Å; V1089-I1093 PolarHBondContact O-N 2.85Å
1090V86.8Confident80.1Confident89 Ų8988.4 Ų88.454%0.53942%0.423SS..Hα-helixtrans-67.6-43.5179.5179.60000111.3N1088 L1092 I1093 K1094N1088-V1090 VanDerWaalsContact C-N 3.26Å; N1088-V1090 PolarHBondContact O-N 3.02Å; N1088-V1090 PolarHBondContact OD1-N 3.5Å; V1090-L1092 VanDerWaalsContact C-N 3.33Å; V1090-I1093 PolarHBondContact O-N 3.39Å; V1090-K1094 WeakPolarHBondContact O-CG 3.27Å; V1090-K1094 PolarHBondContact O-N 2.7Å; V1090-K1094 VanDerWaalsContact O-N 3.09Å
1091K86.9Confident80.8Confident34 Ų3488.6 Ų88.615%0.14842%0.42CS..Hα-helixtrans-62.1-42.7173.9-71.7-178.5-177.1-1790110.3D1082 E1084 M1087 N1088 K1094 L1095D1082-K1091 IonicContact OD2-NZ 2.77Å; E1084-K1091 IonicContact OE2-NZ 2.86Å; E1084-K1091 PolarHBondContact OE2-NZ 3.16Å; M1087-K1091 HydrophobicContact CE-CB 4.3Å; M1087-K1091 HydrophobicContact SD-CB 3.58Å; M1087-K1091 VanDerWaalsContact SD-CB 3.58Å; N1088-K1091 PolarHBondContact O-N 3.07Å; N1088-K1091 WeakPolarHBondContact OD1-CG 3.21Å; N1088-K1091 PolarHBondContact OD1-N 3.41Å; K1091-K1094 PolarHBondContact O-N 3.02Å; K1091-L1095 WeakPolarHBondContact O-CG 3.28Å; K1091-L1095 PolarHBondContact O-N 3.11Å; K1091-L1095 VanDerWaalsContact O-N 3.08Å
1092L89Confident82.2Confident3 Ų380.8 Ų80.82%0.01638%0.383CS..Hα-helixtrans-60.5-47.1176.2-17461.2000112.4Y1034 L1041 F1076 M1087 N1088 V1089 V1090 K1094 L1095 L1096Y1034-L1092 HydrophobicContact CD1-CD2 4.2Å; L1041-L1092 HydrophobicContact CD1-CD2 3.94Å; L1041-L1092 HydrophobicContact CD1-CG 4.22Å; F1076-L1092 HydrophobicContact CB-CD1 4.28Å; F1076-L1092 HydrophobicContact CD1-CD1 3.65Å; F1076-L1092 HydrophobicContact CD2-CD1 4.03Å; F1076-L1092 HydrophobicContact CE1-CD1 3.88Å; F1076-L1092 HydrophobicContact CE2-CD1 4.24Å; F1076-L1092 HydrophobicContact CG-CD1 3.74Å; F1076-L1092 HydrophobicContact CZ-CD1 4.17Å; M1087-L1092 HydrophobicContact CE-CB 3.68Å; M1087-L1092 HydrophobicContact CE-CD1 3.79Å; M1087-L1092 HydrophobicContact CE-CG 4.34Å; N1088-L1092 PolarHBondContact O-N 3.29Å; V1089-L1092 PolarHBondContact O-N 3.18Å; V1090-L1092 VanDerWaalsContact C-N 3.33Å; L1092-K1094 VanDerWaalsContact C-N 3.33Å; L1092-K1094 PolarHBondContact O-N 3.46Å; L1092-L1095 PolarHBondContact O-N 3.25Å; L1092-L1096 HydrophobicContact CD1-CD1 4.41Å; L1092-L1096 HydrophobicContact CD1-CG 4.42Å; L1092-L1096 HydrophobicContact CG-CD1 4.18Å; L1092-L1096 WeakPolarHBondContact O-CG 3.3Å; L1092-L1096 PolarHBondContact O-N 3.39Å
1093I90.8Very high83.5Confident24 Ų2478.4 Ų78.412%0.12337%0.374CS..Hα-helixtrans-56.5-48.1175.9-70.1163.6000110.2L1041 K1042 V1089 V1090 L1095 L1096 E1097L1041-I1093 HydrophobicContact CB-CD1 3.98Å; L1041-I1093 HydrophobicContact CB-CG1 3.75Å; L1041-I1093 HydrophobicContact CD1-CG1 4.21Å; K1042-I1093 HydrophobicContact CD-CG2 4.04Å; K1042-I1093 HydrophobicContact CG-CD1 3.98Å; K1042-I1093 HydrophobicContact CG-CG1 4.23Å; K1042-I1093 HydrophobicContact CG-CG2 3.86Å; V1089-I1093 HydrophobicContact CG1-CD1 3.83Å; V1089-I1093 HydrophobicContact CG1-CG1 4.32Å; V1089-I1093 VanDerWaalsContact O-CG1 3.27Å; V1089-I1093 WeakPolarHBondContact O-CG1 3.45Å; V1089-I1093 PolarHBondContact O-N 2.85Å; V1090-I1093 PolarHBondContact O-N 3.39Å; I1093-L1095 VanDerWaalsContact C-N 3.34Å; I1093-L1095 PolarHBondContact O-N 2.94Å; I1093-L1096 PolarHBondContact O-N 2.97Å; I1093-L1096 VanDerWaalsContact O-N 3.16Å; I1093-E1097 HydrophobicContact CG2-CG 4.12Å; I1093-E1097 WeakPolarHBondContact O-CG 3.43Å; I1093-E1097 PolarHBondContact O-N 2.68Å
1094K90.4Very high85.2Confident116 Ų11671 Ų7150%0.50435%0.349SS..Hα-helixtrans-59.7-40.3179.9-73.8178.1179.3-179.80113.1V1090 K1091 L1092 R1098V1090-K1094 WeakPolarHBondContact O-CG 3.27Å; V1090-K1094 PolarHBondContact O-N 2.7Å; V1090-K1094 VanDerWaalsContact O-N 3.09Å; K1091-K1094 PolarHBondContact O-N 3.02Å; L1092-K1094 VanDerWaalsContact C-N 3.33Å; L1092-K1094 PolarHBondContact O-N 3.46Å; K1094-R1098 WeakPolarHBondContact O-CG 3.38Å; K1094-R1098 PolarHBondContact O-N 2.85Å
1095L91.1Very high86.8Confident12 Ų1265.1 Ų65.16%0.06332%0.322CS..Hα-helixtrans-63-48.1174.9-65.7178000110.7F1076 M1079 T1080 M1087 K1091 L1092 I1093 E1097 R1098 Q1100F1076-L1095 HydrophobicContact CD1-CD1 4.33Å; M1079-L1095 HydrophobicContact CB-CD1 4.35Å; T1080-L1095 HydrophobicContact CG2-CD1 4Å; M1087-L1095 HydrophobicContact CE-CD1 3.42Å; M1087-L1095 VanDerWaalsContact CE-CD1 3.42Å; M1087-L1095 HydrophobicContact CE-CG 4.38Å; K1091-L1095 WeakPolarHBondContact O-CG 3.28Å; K1091-L1095 PolarHBondContact O-N 3.11Å; K1091-L1095 VanDerWaalsContact O-N 3.08Å; L1092-L1095 PolarHBondContact O-N 3.25Å; I1093-L1095 VanDerWaalsContact C-N 3.34Å; I1093-L1095 PolarHBondContact O-N 2.94Å; L1095-E1097 VanDerWaalsContact C-N 3.33Å; L1095-E1097 PolarHBondContact O-N 3.48Å; L1095-R1098 PolarHBondContact O-N 3.36Å; L1095-R1098 VanDerWaalsContact O-N 3.14Å; L1095-Q1100 HydrophobicContact CB-CB 4.48Å; L1095-Q1100 WeakPolarHBondContact O-CB 2.99Å; L1095-Q1100 PolarHBondContact O-N 2.99Å; L1095-Q1100 VanDerWaalsContact O-N 3.09Å
1096L92.6Very high88Confident4 Ų467.1 Ų67.12%0.02132%0.322CS..Hα-helixtrans-65.2-36.1-177.9-65177.9000112.1I1038 L1041 W1053 F1076 L1092 I1093 R1098 N1099 R1101I1038-L1096 HydrophobicContact CD1-CB 3.76Å; I1038-L1096 HydrophobicContact CG1-CB 4.16Å; L1041-L1096 HydrophobicContact CD1-CD1 3.91Å; W1053-L1096 HydrophobicContact CH2-CD2 4.22Å; W1053-L1096 HydrophobicContact CZ2-CD1 3.97Å; W1053-L1096 HydrophobicContact CZ2-CD2 3.86Å; W1053-L1096 HydrophobicContact CZ2-CG 4.47Å; F1076-L1096 HydrophobicContact CE1-CD2 4.07Å; F1076-L1096 HydrophobicContact CZ-CD2 4.25Å; L1092-L1096 HydrophobicContact CD1-CD1 4.41Å; L1092-L1096 HydrophobicContact CD1-CG 4.42Å; L1092-L1096 HydrophobicContact CG-CD1 4.18Å; L1092-L1096 WeakPolarHBondContact O-CG 3.3Å; L1092-L1096 PolarHBondContact O-N 3.39Å; I1093-L1096 PolarHBondContact O-N 2.97Å; I1093-L1096 VanDerWaalsContact O-N 3.16Å; L1096-R1098 VanDerWaalsContact C-N 3.31Å; L1096-R1098 PolarHBondContact O-N 2.99Å; L1096-N1099 WeakPolarHBondContact O-CA 3.21Å; L1096-N1099 PolarHBondContact O-N 2.61Å; L1096-R1101 PolarHBondContact O-NH1 2.59Å
1097E91.5Very high88.7Confident103 Ų10367.3 Ų67.348%0.48133%0.328SS..Hα-helixtrans-64.4-33.4173.8-73.8-178.4139.900112.7I1038 K1042 I1093 L1095 N1099I1038-E1097 HydrophobicContact CD1-CB 4.44Å; I1038-E1097 HydrophobicContact CD1-CG 3.68Å; K1042-E1097 WeakPolarHBondContact CE-OE1 3.45Å; K1042-E1097 IonicContact NZ-OE1 2.74Å; K1042-E1097 PolarHBondContact NZ-OE1 3.31Å; I1093-E1097 HydrophobicContact CG2-CG 4.12Å; I1093-E1097 WeakPolarHBondContact O-CG 3.43Å; I1093-E1097 PolarHBondContact O-N 2.68Å; L1095-E1097 VanDerWaalsContact C-N 3.33Å; L1095-E1097 PolarHBondContact O-N 3.48Å; E1097-N1099 PolarHBondContact O-N 2.94Å; E1097-N1099 VanDerWaalsContact O-N 3.15Å
1098R90.8Very high89.1Confident162 Ų16267.1 Ų67.161%0.61133%0.329SS*.THydrogen-bonded Turntrans-7610.5172.8-67.9172.7-178.8-175.9-1.4113.1K1094 L1095 L1096 Q1100K1094-R1098 WeakPolarHBondContact O-CG 3.38Å; K1094-R1098 PolarHBondContact O-N 2.85Å; L1095-R1098 PolarHBondContact O-N 3.36Å; L1095-R1098 VanDerWaalsContact O-N 3.14Å; L1096-R1098 VanDerWaalsContact C-N 3.31Å; L1096-R1098 PolarHBondContact O-N 2.99Å; R1098-Q1100 HydrophobicContact CB-CG 4.21Å; R1098-Q1100 PolarHBondContact O-N 3.15Å
1099N89.9Confident89.3Confident114 Ų11464.1 Ų64.161%0.6131%0.314SS*.THydrogen-bonded Turntrans5725.1-174.5-14731.4000114.1L1096 E1097 R1101L1096-N1099 WeakPolarHBondContact O-CA 3.21Å; L1096-N1099 PolarHBondContact O-N 2.61Å; E1097-N1099 PolarHBondContact O-N 2.94Å; E1097-N1099 VanDerWaalsContact O-N 3.15Å; N1099-R1101 PolarHBondContact OD1-NH2 2.75Å
1100Q90.8Very high89.4Confident73 Ų7367.1 Ų67.134%0.34132%0.324SS..  trans-80.4128.1173-64.3179.2-31.700108.6L1095 R1098L1095-Q1100 HydrophobicContact CB-CB 4.48Å; L1095-Q1100 WeakPolarHBondContact O-CB 2.99Å; L1095-Q1100 PolarHBondContact O-N 2.99Å; L1095-Q1100 VanDerWaalsContact O-N 3.09Å; R1098-Q1100 HydrophobicContact CB-CG 4.21Å; R1098-Q1100 PolarHBondContact O-N 3.15Å
1101R93.4Very high89.5Confident33 Ų3366.5 Ų66.513%0.12532%0.316CS..  trans-127.2168.6-177-62.9-62.9-177.9-86-6.1110M1079 L1096 N1099 W1120M1079-R1101 WeakPolarHBondContact CE-O 3.37Å; L1096-R1101 PolarHBondContact O-NH1 2.59Å; N1099-R1101 PolarHBondContact OD1-NH2 2.75Å; R1101-W1120 HydrophobicContact CB-CE3 3.97Å; R1101-W1120 HydrophobicContact CB-CZ3 4.3Å; R1101-W1120 HydrophobicContact CG-CB 4.39Å; R1101-W1120 HydrophobicContact CG-CE3 4.27Å; R1101-W1120 PolarHBondContact NE-O 3.09Å; R1101-W1120 PolarHBondContact NH2-O 3.05Å
1102L93.9Very high89.7Confident9 Ų964.9 Ų64.95%0.04731%0.309CS..PPolyproline II helixtrans-55.8145.1173.4-70.4166.8000110.3V1057 Y1060 P1072 K1075 F1076 W1120V1057-L1102 HydrophobicContact CG1-CD1 4.11Å; Y1060-L1102 HydrophobicContact CD1-CD1 3.72Å; Y1060-L1102 HydrophobicContact CD2-CB 3.98Å; Y1060-L1102 HydrophobicContact CD2-CD1 4.43Å; Y1060-L1102 HydrophobicContact CE1-CD1 4.11Å; Y1060-L1102 HydrophobicContact CE1-CD2 4.27Å; Y1060-L1102 HydrophobicContact CE2-CB 4.03Å; Y1060-L1102 HydrophobicContact CG-CB 4.29Å; Y1060-L1102 HydrophobicContact CG-CD1 3.9Å; P1072-L1102 HydrophobicContact CB-CD1 4.11Å; P1072-L1102 HydrophobicContact CB-CD2 4.35Å; P1072-L1102 HydrophobicContact CG-CD1 4.31Å; K1075-L1102 HydrophobicContact CB-CD2 3.76Å; F1076-L1102 HydrophobicContact CD2-CD2 4.03Å; F1076-L1102 HydrophobicContact CE1-CD2 4.46Å; F1076-L1102 HydrophobicContact CE1-CG 4.46Å; F1076-L1102 HydrophobicContact CE2-CD1 4.15Å; F1076-L1102 HydrophobicContact CE2-CD2 3.79Å; F1076-L1102 HydrophobicContact CE2-CG 3.89Å; F1076-L1102 HydrophobicContact CG-CD2 4.47Å; F1076-L1102 HydrophobicContact CZ-CD1 4.36Å; F1076-L1102 HydrophobicContact CZ-CD2 4.03Å; F1076-L1102 HydrophobicContact CZ-CG 3.8Å; L1102-W1120 HydrophobicContact CB-CH2 3.74Å; L1102-W1120 HydrophobicContact CB-CZ2 4.38Å; L1102-W1120 HydrophobicContact CB-CZ3 4.21Å; L1102-W1120 HydrophobicContact CD1-CH2 4.19Å; L1102-W1120 HydrophobicContact CD1-CZ2 4.01Å; L1102-W1120 HydrophobicContact CG-CH2 4.49Å
1103P92.9Very high89.9Confident53 Ų5368.5 Ų68.534%0.34432%0.324SS..PPolyproline II helixtrans-69.6157.5-176.432.4-33000110.2Y1060 K1075 M1079 P1105Y1060-P1103 HydrophobicContact CE2-CG 4.38Å; Y1060-P1103 WeakPolarHBondContact CE2-O 3.42Å; K1075-P1103 HydrophobicContact CD-CG 4.16Å; K1075-P1103 HydrophobicContact CG-CG 4.39Å; M1079-P1103 HydrophobicContact CE-CG 4.31Å; P1103-P1105 WeakPolarHBondContact O-CD 3.38Å
1104C91.7Very high90.1Very high63 Ų6371.1 Ų71.143%0.42634%0.338SS..PPolyproline II helixtrans-63126.4173.8-174.60000110K1113C1104-K1113 HydrophobicContact CB-CD 4.32Å
1105P90.9Very high90.3Very high6 Ų666 Ų664%0.03932%0.316CS..PPolyproline II helixtrans-57.8150.3173.2-23.533.6000111.6Y1060 L1063 T1064 P1103 C1108 M1116Y1060-P1105 HydrophobicContact CD2-CG 3.61Å; Y1060-P1105 HydrophobicContact CE2-CG 3.91Å; L1063-P1105 HydrophobicContact CB-CB 3.87Å; L1063-P1105 HydrophobicContact CB-CG 3.79Å; L1063-P1105 HydrophobicContact CD1-CG 4.3Å; T1064-P1105 HydrophobicContact CG2-CB 3.88Å; T1064-P1105 HydrophobicContact CG2-CG 4.01Å; P1103-P1105 WeakPolarHBondContact O-CD 3.38Å; P1105-C1108 HydrophobicContact CB-CB 4.21Å; P1105-C1108 VanDerWaalsContact O-CB 3.22Å; P1105-C1108 WeakPolarHBondContact O-CB 3.28Å; P1105-C1108 PolarHBondContact O-N 2.96Å; P1105-M1116 HydrophobicContact CG-CE 4.28Å
1106R82.6Confident90.5Very high208 Ų20865.5 Ų65.579%0.78531%0.313SS*.THydrogen-bonded Turntrans-62.2141.1172.9-63.6-176.7-177.5-169.9-0.2109.6C1108R1106-C1108 PolarHBondContact O-N 3.43Å; R1106-C1108 VanDerWaalsContact O-N 3.15Å
1107D79.8Confident90.5Very high151 Ų15168.7 Ų68.781%0.80733%0.33SS*.THydrogen-bonded Turntrans59.620.4-179.2-46.8-45.8000114.9P1109D1107-P1109 WeakPolarHBondContact O-CD 3.41Å
1108C86.2Confident90.7Very high20 Ų2067.7 Ų67.714%0.13533%0.326CS..  trans-74.3124.2173.5-175.40000110.6P1105 R1106P1105-C1108 HydrophobicContact CB-CB 4.21Å; P1105-C1108 VanDerWaalsContact O-CB 3.22Å; P1105-C1108 WeakPolarHBondContact O-CB 3.28Å; P1105-C1108 PolarHBondContact O-N 2.96Å; R1106-C1108 PolarHBondContact O-N 3.43Å; R1106-C1108 VanDerWaalsContact O-N 3.15Å
1109P87.1Confident91Very high16 Ų1660 Ų6010%0.10430%0.297CS..  trans-56.3144172.6-28.538000112.8D1107 E1111 V1112 K1113 F1144D1107-P1109 WeakPolarHBondContact O-CD 3.41Å; P1109-E1111 VanDerWaalsContact C-N 3.28Å; P1109-E1111 PolarHBondContact O-N 3.42Å; P1109-V1112 HydrophobicContact CB-CB 4.11Å; P1109-V1112 HydrophobicContact CB-CG2 3.78Å; P1109-V1112 HydrophobicContact CG-CB 4.45Å; P1109-V1112 HydrophobicContact CG-CG2 3.97Å; P1109-V1112 PolarHBondContact O-N 3.18Å; P1109-K1113 PolarHBondContact O-N 2.85Å; P1109-F1144 HydrophobicContact CB-CE2 3.66Å; P1109-F1144 HydrophobicContact CB-CZ 3.45Å; P1109-F1144 VanDerWaalsContact CB-CZ 3.45Å; P1109-F1144 HydrophobicContact CG-CE1 4.09Å; P1109-F1144 HydrophobicContact CG-CE2 3.52Å; P1109-F1144 HydrophobicContact CG-CZ 3.22Å
1110H88.1Confident91.4Very high116 Ų11654.9 Ų54.954%0.53727%0.269SS..Hα-helixtrans-59.1-40.9-179.4-178.2-97.2000112.1V1112 K1113 L1114H1110-V1112 VanDerWaalsContact C-N 3.29Å; H1110-V1112 PolarHBondContact O-N 3.03Å; H1110-K1113 WeakPolarHBondContact O-CB 3.43Å; H1110-K1113 PolarHBondContact O-N 3.03Å; H1110-L1114 WeakPolarHBondContact O-CG 3.36Å; H1110-L1114 PolarHBondContact O-N 2.78Å
1111E89.3Confident91.6Very high77 Ų7754 Ų5436%0.3627%0.267SS..Hα-helixtrans-63.1-37.4177.8-62.669.5-151.800111.5P1109 L1114 L1115 V1140 M1143P1109-E1111 VanDerWaalsContact C-N 3.28Å; P1109-E1111 PolarHBondContact O-N 3.42Å; E1111-L1114 PolarHBondContact O-N 3.34Å; E1111-L1115 WeakPolarHBondContact O-CG 3.45Å; E1111-L1115 PolarHBondContact O-N 3.03Å; E1111-V1140 HydrophobicContact CB-CG2 3.83Å; E1111-M1143 HydrophobicContact CG-CE 4.16Å
1112V91.8Very high91.6Very high0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-73.3-37.9179.1178.40000110.6L969 L1059 L1063 P1109 H1110 L1114 L1115 M1116 F1137 V1140L969-V1112 HydrophobicContact CD1-CG2 4.03Å; L969-V1112 HydrophobicContact CD2-CB 4.39Å; L969-V1112 HydrophobicContact CD2-CG1 3.88Å; L969-V1112 HydrophobicContact CD2-CG2 3.55Å; L969-V1112 HydrophobicContact CG-CG2 4.45Å; L1059-V1112 HydrophobicContact CD2-CG1 4.24Å; L1063-V1112 HydrophobicContact CD1-CG1 3.78Å; P1109-V1112 HydrophobicContact CB-CB 4.11Å; P1109-V1112 HydrophobicContact CB-CG2 3.78Å; P1109-V1112 HydrophobicContact CG-CB 4.45Å; P1109-V1112 HydrophobicContact CG-CG2 3.97Å; P1109-V1112 PolarHBondContact O-N 3.18Å; H1110-V1112 VanDerWaalsContact C-N 3.29Å; H1110-V1112 PolarHBondContact O-N 3.03Å; V1112-L1114 VanDerWaalsContact C-N 3.35Å; V1112-L1115 PolarHBondContact O-N 3.19Å; V1112-M1116 WeakPolarHBondContact O-CB 3.3Å; V1112-M1116 PolarHBondContact O-N 3.07Å; V1112-F1137 HydrophobicContact CG1-CE1 4.35Å; V1112-V1140 HydrophobicContact CG2-CG1 3.84Å
1113K92.9Very high91.6Very high78 Ų7857.6 Ų57.634%0.33930%0.295SS..Hα-helixtrans-57.7-47.6171.6-177.2-166.3171.5-170.50111C1104 P1109 H1110 L1115 M1116 D1117C1104-K1113 HydrophobicContact CB-CD 4.32Å; P1109-K1113 PolarHBondContact O-N 2.85Å; H1110-K1113 WeakPolarHBondContact O-CB 3.43Å; H1110-K1113 PolarHBondContact O-N 3.03Å; K1113-L1115 VanDerWaalsContact C-N 3.32Å; K1113-L1115 PolarHBondContact O-N 2.99Å; K1113-M1116 WeakPolarHBondContact O-CB 3.46Å; K1113-M1116 PolarHBondContact O-N 3.15Å; K1113-M1116 VanDerWaalsContact O-N 3.1Å; K1113-D1117 PolarHBondContact O-N 3.22Å
1114L93.3Very high91.6Very high79 Ų7956.8 Ų56.841%0.41429%0.29SS..Hα-helixtrans-58.7-42.6177.8-70.5175.1000112.3H1110 E1111 V1112 M1116 D1117 Q1118H1110-L1114 WeakPolarHBondContact O-CG 3.36Å; H1110-L1114 PolarHBondContact O-N 2.78Å; E1111-L1114 PolarHBondContact O-N 3.34Å; V1112-L1114 VanDerWaalsContact C-N 3.35Å; L1114-M1116 VanDerWaalsContact C-N 3.33Å; L1114-D1117 PolarHBondContact O-N 3.19Å; L1114-Q1118 WeakPolarHBondContact O-CB 3.4Å; L1114-Q1118 VanDerWaalsContact O-CG 3.24Å; L1114-Q1118 WeakPolarHBondContact O-CG 3.24Å; L1114-Q1118 PolarHBondContact O-N 2.73Å
1115L94.7Very high91.7Very high8 Ų862 Ų624%0.04231%0.308CS..Hα-helixtrans-63.7-40.3175.7-66.9172.5000111.7E1111 V1112 K1113 Q1118 C1119 L1133 R1136 F1137E1111-L1115 WeakPolarHBondContact O-CG 3.45Å; E1111-L1115 PolarHBondContact O-N 3.03Å; V1112-L1115 PolarHBondContact O-N 3.19Å; K1113-L1115 VanDerWaalsContact C-N 3.32Å; K1113-L1115 PolarHBondContact O-N 2.99Å; L1115-Q1118 PolarHBondContact O-N 3.38Å; L1115-C1119 PolarHBondContact O-N 3.42Å; L1115-C1119 PolarHBondContact O-SG 3.43Å; L1115-L1133 HydrophobicContact CD2-CD2 4.3Å; L1115-R1136 HydrophobicContact CD1-CB 3.89Å; L1115-R1136 HydrophobicContact CD2-CB 3.83Å; L1115-R1136 HydrophobicContact CD2-CG 3.89Å; L1115-F1137 HydrophobicContact CD1-CD1 4.35Å; L1115-F1137 HydrophobicContact CD1-CE1 4.08Å; L1115-F1137 HydrophobicContact CD1-CZ 4.18Å
1116M95.4Very high91.9Very high3 Ų366.4 Ų66.42%0.01533%0.331CS..Hα-helixtrans-64.3-43.7177.5-160.3-178.3-27.700111.7L1059 Y1060 L1063 P1105 V1112 K1113 L1114 C1119 W1120L1059-M1116 HydrophobicContact CD2-CB 4.13Å; L1059-M1116 HydrophobicContact CD2-CE 4.48Å; L1059-M1116 HydrophobicContact CD2-CG 4.19Å; Y1060-M1116 HydrophobicContact CD2-SD 4.36Å; L1063-M1116 HydrophobicContact CD1-CE 3.39Å; P1105-M1116 HydrophobicContact CG-CE 4.28Å; V1112-M1116 WeakPolarHBondContact O-CB 3.3Å; V1112-M1116 PolarHBondContact O-N 3.07Å; K1113-M1116 WeakPolarHBondContact O-CB 3.46Å; K1113-M1116 PolarHBondContact O-N 3.15Å; K1113-M1116 VanDerWaalsContact O-N 3.1Å; L1114-M1116 VanDerWaalsContact C-N 3.33Å; M1116-C1119 WeakPolarHBondContact O-CB 3.48Å; M1116-C1119 PolarHBondContact O-N 3.26Å; M1116-W1120 HydrophobicContact CG-CD2 4.48Å; M1116-W1120 HydrophobicContact CG-CE3 4.2Å; M1116-W1120 HydrophobicContact CG-CH2 3.46Å; M1116-W1120 VanDerWaalsContact CG-CH2 3.46Å; M1116-W1120 HydrophobicContact CG-CZ2 3.77Å; M1116-W1120 HydrophobicContact CG-CZ3 3.69Å; M1116-W1120 PolarHBondContact O-N 3.48Å; M1116-W1120 HydrophobicContact SD-CH2 3.38Å; M1116-W1120 WeakPolarHBondContact SD-CH2 3.44Å; M1116-W1120 HydrophobicContact SD-CZ2 4.06Å; M1116-W1120 HydrophobicContact SD-CZ3 3.88Å
1117D93.8Very high92.6Very high70 Ų7057.2 Ų57.237%0.37430%0.297SS..Hα-helixtrans-63.9-40176.1-68.9-24.5000111.3K1113 L1114 W1120 D1121K1113-D1117 PolarHBondContact O-N 3.22Å; L1114-D1117 PolarHBondContact O-N 3.19Å; D1117-W1120 CarbonylContact O-C 3.58Å; D1117-W1120 PolarHBondContact O-N 3.32Å; D1117-W1120 VanDerWaalsContact O-N 3.1Å; D1117-D1121 PolarHBondContact O-N 2.76Å
1118Q95.9Very high93.4Very high83 Ų8350.7 Ų50.739%0.38826%0.263SS..Hα-helixtrans-64-37.8174.6-74.8171.80.300112.8L1114 L1115 W1120 D1121 P1128L1114-Q1118 WeakPolarHBondContact O-CB 3.4Å; L1114-Q1118 VanDerWaalsContact O-CG 3.24Å; L1114-Q1118 WeakPolarHBondContact O-CG 3.24Å; L1114-Q1118 PolarHBondContact O-N 2.73Å; L1115-Q1118 PolarHBondContact O-N 3.38Å; Q1118-W1120 PolarHBondContact O-N 2.69Å; Q1118-D1121 PolarHBondContact O-N 2.79Å; Q1118-P1128 HydrophobicContact CB-CG 4.43Å
1119C97.6Very high93.9Very high0 Ų054 Ų540%028%0.282CS..Hα-helixtrans-61.8-26.6173.3-69.90000112.3V1052 W1053 L1115 M1116 R1127V1052-C1119 HydrophobicContact CG1-CB 4.19Å; W1053-C1119 WeakPolarHBondContact CA-O 3.34Å; L1115-C1119 PolarHBondContact O-N 3.42Å; L1115-C1119 PolarHBondContact O-SG 3.43Å; M1116-C1119 WeakPolarHBondContact O-CB 3.48Å; M1116-C1119 PolarHBondContact O-N 3.26Å; C1119-R1127 WeakPolarHBondContact O-CD 3.5Å
1120W96.8Very high94.4Very high6 Ų653.2 Ų53.22%0.02328%0.277CS..THydrogen-bonded Turntrans-101.821.4-179.6-58.6-36.6000114.5W1053 G1056 V1057 Y1060 R1101 L1102 M1116 D1117 Q1118 A1122W1053-W1120 AromaticContact CD2-CD1 3.84Å; W1053-W1120 AromaticContact CE2-CD1 3.91Å; W1053-W1120 HydrophobicContact CE3-CB 4.23Å; W1053-W1120 HydrophobicContact CH2-CB 4.28Å; W1053-W1120 VanDerWaalsContact CZ3-C 3.46Å; W1053-W1120 HydrophobicContact CZ3-CB 4.08Å; W1053-W1120 WeakPolarHBondContact CZ3-O 3.49Å; G1056-W1120 VanDerWaalsContact C-NE1 3.34Å; G1056-W1120 VanDerWaalsContact O-CZ2 3.27Å; G1056-W1120 WeakPolarHBondContact O-CZ2 3.28Å; V1057-W1120 HydrophobicContact CG2-CZ2 4.38Å; Y1060-W1120 HydrophobicContact CD2-CH2 4.44Å; Y1060-W1120 HydrophobicContact CG-CH2 4.48Å; R1101-W1120 HydrophobicContact CB-CE3 3.97Å; R1101-W1120 HydrophobicContact CB-CZ3 4.3Å; R1101-W1120 HydrophobicContact CG-CB 4.39Å; R1101-W1120 HydrophobicContact CG-CE3 4.27Å; R1101-W1120 PolarHBondContact NE-O 3.09Å; R1101-W1120 PolarHBondContact NH2-O 3.05Å; L1102-W1120 HydrophobicContact CB-CH2 3.74Å; L1102-W1120 HydrophobicContact CB-CZ2 4.38Å; L1102-W1120 HydrophobicContact CB-CZ3 4.21Å; L1102-W1120 HydrophobicContact CD1-CH2 4.19Å; L1102-W1120 HydrophobicContact CD1-CZ2 4.01Å; L1102-W1120 HydrophobicContact CG-CH2 4.49Å; M1116-W1120 HydrophobicContact CG-CD2 4.48Å; M1116-W1120 HydrophobicContact CG-CE3 4.2Å; M1116-W1120 HydrophobicContact CG-CH2 3.46Å; M1116-W1120 VanDerWaalsContact CG-CH2 3.46Å; M1116-W1120 HydrophobicContact CG-CZ2 3.77Å; M1116-W1120 HydrophobicContact CG-CZ3 3.69Å; M1116-W1120 PolarHBondContact O-N 3.48Å; M1116-W1120 HydrophobicContact SD-CH2 3.38Å; M1116-W1120 WeakPolarHBondContact SD-CH2 3.44Å; M1116-W1120 HydrophobicContact SD-CZ2 4.06Å; M1116-W1120 HydrophobicContact SD-CZ3 3.88Å; D1117-W1120 CarbonylContact O-C 3.58Å; D1117-W1120 PolarHBondContact O-N 3.32Å; D1117-W1120 VanDerWaalsContact O-N 3.1Å; Q1118-W1120 PolarHBondContact O-N 2.69Å; W1120-A1122 PolarHBondContact O-N 3.07Å
1121D96.3Very high94.7Very high56 Ų5650.4 Ų50.430%0.29927%0.27SS..  trans-59.9136.1172-162.4-59.7000110D1117 Q1118 N1123 N1126 R1127D1117-D1121 PolarHBondContact O-N 2.76Å; Q1118-D1121 PolarHBondContact O-N 2.79Å; D1121-N1123 PolarHBondContact O-N 3.15Å; D1121-N1123 PolarHBondContact OD1-N 3.05Å; D1121-N1126 HydrophobicContact CB-CB 4.08Å; D1121-N1126 VanDerWaalsContact CG-CB 3.49Å; D1121-N1126 PolarHBondContact OD1-ND2 2.82Å; D1121-N1126 WeakPolarHBondContact OD2-CB 3.31Å; D1121-N1126 PolarHBondContact OD2-ND2 3.16Å; D1121-R1127 HydrophobicContact CB-CG 4.09Å; D1121-R1127 PolarHBondContact O-NE 3.2Å; D1121-R1127 PolarHBondContact O-NH2 3.09Å
1122A92.3Very high95Very high50 Ų5049.1 Ų49.141%0.41327%0.266SS..SBendtrans-64.8-32.1179.900000111.6W1120 P1124W1120-A1122 PolarHBondContact O-N 3.07Å; A1122-P1124 WeakPolarHBondContact O-CD 3.25Å
1123N93.6Very high95.1Very high66 Ų6649.1 Ų49.135%0.35327%0.266SS..SBendtrans-87118.9173.7-175.36.4000110.5D1121 E1125 N1126D1121-N1123 PolarHBondContact O-N 3.15Å; D1121-N1123 PolarHBondContact OD1-N 3.05Å; N1123-E1125 PolarHBondContact O-N 3.45Å; N1123-E1125 PolarHBondContact OD1-N 3.48Å; N1123-N1126 HydrophobicContact CB-CB 4.44Å; N1123-N1126 PolarHBondContact O-N 3.16Å; N1123-N1126 VanDerWaalsContact O-N 3.16Å
1124P94.1Very high95.1Very high37 Ų3746.6 Ų46.624%0.2426%0.256CS..G310 helixtrans-57.7-30.9179.3-2535000114.4E1039 A1049 A1122 N1126 R1127E1039-P1124 HydrophobicContact CG-CG 4.18Å; A1049-P1124 HydrophobicContact CB-CB 3.82Å; A1049-P1124 WeakPolarHBondContact CB-O 3.38Å; A1122-P1124 WeakPolarHBondContact O-CD 3.25Å; P1124-N1126 VanDerWaalsContact C-N 3.28Å; P1124-N1126 PolarHBondContact O-N 3.21Å; P1124-R1127 PolarHBondContact O-N 3.04Å
1125E93.1Very high94.9Very high173 Ų17348.6 Ų48.681%0.80826%0.263SS*.G310 helixtrans-71.1-22.5-178.4-62.6-172.7148.200113.5N1123 R1127N1123-E1125 PolarHBondContact O-N 3.45Å; N1123-E1125 PolarHBondContact OD1-N 3.48Å; E1125-R1127 VanDerWaalsContact C-N 3.33Å
1126N95.5Very high94.8Very high97 Ų9754.4 Ų54.452%0.51929%0.285SS..G310 helixtrans-83.7-11.9178.3-69.5-15.4000112.7D1121 N1123 P1124D1121-N1126 HydrophobicContact CB-CB 4.08Å; D1121-N1126 VanDerWaalsContact CG-CB 3.49Å; D1121-N1126 PolarHBondContact OD1-ND2 2.82Å; D1121-N1126 WeakPolarHBondContact OD2-CB 3.31Å; D1121-N1126 PolarHBondContact OD2-ND2 3.16Å; N1123-N1126 HydrophobicContact CB-CB 4.44Å; N1123-N1126 PolarHBondContact O-N 3.16Å; N1123-N1126 VanDerWaalsContact O-N 3.16Å; P1124-N1126 VanDerWaalsContact C-N 3.28Å; P1124-N1126 PolarHBondContact O-N 3.21Å
1127R97.6Very high94.5Very high15 Ų1554.3 Ų54.36%0.05728%0.284CS..SBendtrans-75140.3-178.5-60.2-179.9-164.81468.9109.8E1039 A1049 V1052 C1119 D1121 P1124 E1125E1039-R1127 IonicContact OE1-CZ 3.97Å; E1039-R1127 IonicContact OE1-NH1 3.05Å; E1039-R1127 PolarHBondContact OE1-NH1 3.42Å; E1039-R1127 IonicContact OE1-NH2 3.62Å; E1039-R1127 PolarHBondContact OE1-NH2 2.73Å; E1039-R1127 IonicContact OE2-CZ 3.92Å; E1039-R1127 IonicContact OE2-NH1 3.1Å; E1039-R1127 IonicContact OE2-NH2 3.35Å; E1039-R1127 PolarHBondContact OE2-NH2 3.31Å; A1049-R1127 WeakPolarHBondContact O-CD 3.35Å; A1049-R1127 PolarHBondContact O-NH1 3.02Å; V1052-R1127 HydrophobicContact CG1-CB 4.11Å; C1119-R1127 WeakPolarHBondContact O-CD 3.5Å; D1121-R1127 HydrophobicContact CB-CG 4.09Å; D1121-R1127 PolarHBondContact O-NE 3.2Å; D1121-R1127 PolarHBondContact O-NH2 3.09Å; P1124-R1127 PolarHBondContact O-N 3.04Å; E1125-R1127 VanDerWaalsContact C-N 3.33Å
1128P97.2Very high94Very high15 Ų1552.9 Ų52.910%0.09728%0.275CS..PPolyproline II helixtrans-67.5150.2178.828.8-34.9000111V1052 Q1118 N1132 L1133V1052-P1128 HydrophobicContact CG1-CG 4.31Å; V1052-P1128 VanDerWaalsContact CG1-O 3.28Å; V1052-P1128 WeakPolarHBondContact CG1-O 3.41Å; V1052-P1128 VanDerWaalsContact CG2-O 3.32Å; V1052-P1128 WeakPolarHBondContact CG2-O 3.36Å; Q1118-P1128 HydrophobicContact CB-CG 4.43Å; P1128-N1132 HydrophobicContact CB-CB 4.35Å; P1128-L1133 HydrophobicContact CB-CD2 4.2Å; P1128-L1133 HydrophobicContact CB-CG 4.11Å; P1128-L1133 HydrophobicContact CG-CD1 4.25Å; P1128-L1133 HydrophobicContact CG-CD2 3.7Å; P1128-L1133 HydrophobicContact CG-CG 3.92Å
1129T96.7Very high93.5Very high88 Ų8852.4 Ų52.454%0.5428%0.281SS..PPolyproline II helixtrans-74.2159.4169.863.10000110.8S1131 N1132 L1133T1129-S1131 VanDerWaalsContact C-N 3.3Å; T1129-S1131 PolarHBondContact O-N 3.09Å; T1129-N1132 WeakPolarHBondContact O-CB 3.33Å; T1129-N1132 PolarHBondContact O-N 2.79Å; T1129-N1132 VanDerWaalsContact O-N 3.1Å; T1129-N1132 PolarHBondContact OG1-N 3.14Å; T1129-L1133 PolarHBondContact O-N 3.25Å
1130F97.6Very high92.8Very high1 Ų153 Ų530%0.00428%0.284CS..Hα-helixtrans-59.7-40.3174.1-79.3-63.6000112.4C976 M979 D980 H983 L992 D1051 V1052 F1055 N1132 L1133 I1134C976-F1130 HydrophobicContact CB-CD1 3.86Å; M979-F1130 HydrophobicContact CB-CD1 3.9Å; M979-F1130 HydrophobicContact CB-CD2 3.52Å; M979-F1130 HydrophobicContact CB-CE1 3.82Å; M979-F1130 HydrophobicContact CB-CE2 3.45Å; M979-F1130 VanDerWaalsContact CB-CE2 3.45Å; M979-F1130 HydrophobicContact CB-CG 3.76Å; M979-F1130 HydrophobicContact CB-CZ 3.59Å; M979-F1130 HydrophobicContact CE-CE2 3.81Å; M979-F1130 HydrophobicContact CE-CZ 4.07Å; M979-F1130 HydrophobicContact CG-CE1 4.13Å; M979-F1130 HydrophobicContact CG-CE2 4.07Å; M979-F1130 HydrophobicContact CG-CZ 3.81Å; D980-F1130 HydrophobicContact CB-CB 3.86Å; H983-F1130 AromaticContact CE1-CD2 3.4Å; H983-F1130 VanDerWaalsContact CE1-CD2 3.4Å; H983-F1130 WeakPolarHBondContact CE1-CD2 3.46Å; H983-F1130 AromaticContact CE1-CE2 3.33Å; H983-F1130 WeakPolarHBondContact CE1-CE2 3.33Å; H983-F1130 AromaticContact ND1-CD2 3.53Å; H983-F1130 AromaticContact ND1-CE2 3.96Å; H983-F1130 AromaticContact NE2-CE2 3.84Å; L992-F1130 HydrophobicContact CD2-CZ 4.19Å; D1051-F1130 HydrophobicContact CB-CE2 3.95Å; D1051-F1130 HydrophobicContact CB-CZ 4.31Å; V1052-F1130 HydrophobicContact CG2-CD2 4.18Å; V1052-F1130 HydrophobicContact CG2-CE2 3.96Å; V1052-F1130 HydrophobicContact CG2-CZ 4.25Å; F1055-F1130 HydrophobicContact CB-CE1 3.59Å; F1055-F1130 HydrophobicContact CB-CZ 3.77Å; F1055-F1130 HydrophobicContact CD1-CE1 4.19Å; F1055-F1130 HydrophobicContact CD2-CE1 4.06Å; F1055-F1130 AromaticContact CG-CE1 3.66Å; F1055-F1130 HydrophobicContact CG-CE1 3.66Å; F1055-F1130 HydrophobicContact CG-CZ 4.36Å; F1130-N1132 VanDerWaalsContact C-N 3.31Å; F1130-N1132 PolarHBondContact O-N 3.5Å; F1130-L1133 HydrophobicContact CD1-CD1 4.05Å; F1130-L1133 HydrophobicContact CE1-CD1 4.38Å; F1130-L1133 PolarHBondContact O-N 3.49Å; F1130-L1133 VanDerWaalsContact O-N 3.14Å; F1130-I1134 VanDerWaalsContact O-CG1 3.27Å; F1130-I1134 WeakPolarHBondContact O-CG1 3.41Å; F1130-I1134 PolarHBondContact O-N 3.15Å
1131S93.4Very high92.1Very high56 Ų5655.4 Ų55.439%0.39229%0.294SS..Hα-helixtrans-51.2-47.5170.3-170.30000112.7D980 T1129 I1134 E1135D980-S1131 WeakPolarHBondContact OD1-CB 3.1Å; D980-S1131 PolarHBondContact OD1-N 3.04Å; D980-S1131 VanDerWaalsContact OD1-N 3.14Å; T1129-S1131 VanDerWaalsContact C-N 3.3Å; T1129-S1131 PolarHBondContact O-N 3.09Å; S1131-I1134 PolarHBondContact O-N 2.81Å; S1131-E1135 PolarHBondContact O-N 2.74Å
1132N94.7Very high91Very high51 Ų5157.3 Ų57.327%0.27330%0.299SS..Hα-helixtrans-63.9-43.1176.7-172.4-101.8000112.4P1128 T1129 F1130 I1134 E1135 R1136P1128-N1132 HydrophobicContact CB-CB 4.35Å; T1129-N1132 WeakPolarHBondContact O-CB 3.33Å; T1129-N1132 PolarHBondContact O-N 2.79Å; T1129-N1132 VanDerWaalsContact O-N 3.1Å; T1129-N1132 PolarHBondContact OG1-N 3.14Å; F1130-N1132 VanDerWaalsContact C-N 3.31Å; F1130-N1132 PolarHBondContact O-N 3.5Å; N1132-I1134 VanDerWaalsContact C-N 3.31Å; N1132-I1134 PolarHBondContact O-N 3.28Å; N1132-E1135 PolarHBondContact O-N 2.86Å; N1132-R1136 VanDerWaalsContact O-CG 3.26Å; N1132-R1136 WeakPolarHBondContact O-CG 3.49Å; N1132-R1136 PolarHBondContact O-N 2.62Å
1133L95.6Very high90.1Very high0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-60.9-38.6178-72170.4000112.1C976 V1052 F1055 L1115 P1128 T1129 F1130 E1135 R1136 F1137C976-L1133 HydrophobicContact CB-CB 4.46Å; V1052-L1133 HydrophobicContact CG1-CD1 4.21Å; F1055-L1133 HydrophobicContact CD1-CD1 3.76Å; F1055-L1133 HydrophobicContact CE1-CD1 3.83Å; L1115-L1133 HydrophobicContact CD2-CD2 4.3Å; P1128-L1133 HydrophobicContact CB-CD2 4.2Å; P1128-L1133 HydrophobicContact CB-CG 4.11Å; P1128-L1133 HydrophobicContact CG-CD1 4.25Å; P1128-L1133 HydrophobicContact CG-CD2 3.7Å; P1128-L1133 HydrophobicContact CG-CG 3.92Å; T1129-L1133 PolarHBondContact O-N 3.25Å; F1130-L1133 HydrophobicContact CD1-CD1 4.05Å; F1130-L1133 HydrophobicContact CE1-CD1 4.38Å; F1130-L1133 PolarHBondContact O-N 3.49Å; F1130-L1133 VanDerWaalsContact O-N 3.14Å; L1133-E1135 VanDerWaalsContact C-N 3.33Å; L1133-E1135 PolarHBondContact O-N 2.96Å; L1133-R1136 PolarHBondContact O-N 3.33Å; L1133-F1137 HydrophobicContact CB-CD2 4.31Å; L1133-F1137 HydrophobicContact CB-CE2 4.25Å; L1133-F1137 HydrophobicContact CD2-CE2 4.18Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.47Å; L1133-F1137 PolarHBondContact O-N 3.14Å
1134I93Very high88.7Confident24 Ų2458.5 Ų58.512%0.12329%0.294CS..Hα-helixtrans-57.8-46.5177.5-66.2162.4000110.8Q973 C976 Q977 D980 F1130 S1131 N1132 E1138Q973-I1134 HydrophobicContact CG-CG2 4.3Å; Q973-I1134 PolarHBondContact NE2-O 2.85Å; C976-I1134 HydrophobicContact CB-CD1 4.34Å; C976-I1134 HydrophobicContact CB-CG1 3.52Å; Q977-I1134 HydrophobicContact CB-CD1 4.34Å; Q977-I1134 HydrophobicContact CG-CD1 3.81Å; Q977-I1134 HydrophobicContact CG-CG1 3.96Å; Q977-I1134 HydrophobicContact CG-CG2 4.17Å; D980-I1134 HydrophobicContact CB-CD1 3.9Å; F1130-I1134 VanDerWaalsContact O-CG1 3.27Å; F1130-I1134 WeakPolarHBondContact O-CG1 3.41Å; F1130-I1134 PolarHBondContact O-N 3.15Å; S1131-I1134 PolarHBondContact O-N 2.81Å; N1132-I1134 VanDerWaalsContact C-N 3.31Å; N1132-I1134 PolarHBondContact O-N 3.28Å; I1134-E1138 WeakPolarHBondContact O-CB 3.27Å; I1134-E1138 PolarHBondContact O-N 3.46Å
1135E89.3Confident86.8Confident121 Ų12161 Ų6157%0.56531%0.306SS*.Hα-helixtrans-67.4-40.5179.5-64.1-176.2163.300112.2S1131 N1132 L1133 E1138 S1139S1131-E1135 PolarHBondContact O-N 2.74Å; N1132-E1135 PolarHBondContact O-N 2.86Å; L1133-E1135 VanDerWaalsContact C-N 3.33Å; L1133-E1135 PolarHBondContact O-N 2.96Å; E1135-E1138 PolarHBondContact O-N 3.43Å; E1135-S1139 PolarHBondContact O-N 3.45Å; E1135-S1139 PolarHBondContact O-OG 3.26Å
1136R91.9Very high84.3Confident131 Ų13163 Ų6349%0.49431%0.306SS..Hα-helixtrans-64.7-48.9178.3-68.4-75.4-169.5-179.30.2111.5L1115 N1132 L1133 E1138 S1139 V1140L1115-R1136 HydrophobicContact CD1-CB 3.89Å; L1115-R1136 HydrophobicContact CD2-CB 3.83Å; L1115-R1136 HydrophobicContact CD2-CG 3.89Å; N1132-R1136 VanDerWaalsContact O-CG 3.26Å; N1132-R1136 WeakPolarHBondContact O-CG 3.49Å; N1132-R1136 PolarHBondContact O-N 2.62Å; L1133-R1136 PolarHBondContact O-N 3.33Å; R1136-E1138 VanDerWaalsContact C-N 3.32Å; R1136-E1138 PolarHBondContact O-N 3.23Å; R1136-S1139 WeakPolarHBondContact O-CB 3.08Å; R1136-S1139 PolarHBondContact O-N 3.48Å; R1136-S1139 VanDerWaalsContact O-N 3.16Å; R1136-V1140 WeakPolarHBondContact O-CG2 3.39Å; R1136-V1140 PolarHBondContact O-N 3.08Å
1137F89.1Confident81.6Confident0 Ų061.6 Ų61.60%030%0.304CS..Hα-helixtrans-64-36.8176.4-77.5-63.5000112.3L969 A972 Q973 F1055 L1059 V1112 L1115 L1133 S1139 V1140 R1141L969-F1137 HydrophobicContact CD2-CD1 4.01Å; L969-F1137 HydrophobicContact CD2-CE1 3.9Å; A972-F1137 HydrophobicContact CB-CE1 4.37Å; A972-F1137 HydrophobicContact CB-CZ 4.33Å; Q973-F1137 HydrophobicContact CB-CB 4.01Å; Q973-F1137 HydrophobicContact CG-CB 4.24Å; F1055-F1137 AromaticContact CE1-CE2 3.69Å; F1055-F1137 HydrophobicContact CE1-CE2 3.69Å; F1055-F1137 HydrophobicContact CE1-CZ 4.06Å; F1055-F1137 HydrophobicContact CZ-CD2 4.48Å; F1055-F1137 AromaticContact CZ-CE2 3.53Å; F1055-F1137 HydrophobicContact CZ-CE2 3.53Å; F1055-F1137 AromaticContact CZ-CZ 3.94Å; F1055-F1137 HydrophobicContact CZ-CZ 3.94Å; L1059-F1137 HydrophobicContact CD1-CE1 4.27Å; L1059-F1137 HydrophobicContact CD1-CZ 4.12Å; L1059-F1137 HydrophobicContact CD2-CE1 4.34Å; L1059-F1137 HydrophobicContact CD2-CZ 3.74Å; V1112-F1137 HydrophobicContact CG1-CE1 4.35Å; L1115-F1137 HydrophobicContact CD1-CD1 4.35Å; L1115-F1137 HydrophobicContact CD1-CE1 4.08Å; L1115-F1137 HydrophobicContact CD1-CZ 4.18Å; L1133-F1137 HydrophobicContact CB-CD2 4.31Å; L1133-F1137 HydrophobicContact CB-CE2 4.25Å; L1133-F1137 HydrophobicContact CD2-CE2 4.18Å; L1133-F1137 WeakPolarHBondContact O-CD2 3.47Å; L1133-F1137 PolarHBondContact O-N 3.14Å; F1137-S1139 VanDerWaalsContact C-N 3.29Å; F1137-S1139 PolarHBondContact O-N 3.09Å; F1137-V1140 PolarHBondContact O-N 3Å; F1137-R1141 WeakPolarHBondContact O-CB 3.43Å; F1137-R1141 VanDerWaalsContact O-CG 3.25Å; F1137-R1141 WeakPolarHBondContact O-CG 3.4Å; F1137-R1141 PolarHBondContact O-N 3.08Å
1138E83.3Confident78.7Confident41 Ų4169 Ų6919%0.19234%0.337CS..Hα-helixtrans-60.1-42173.6-169.6176.3153.900111.6K547 I1134 E1135 R1136 K1142K547-E1138 VanDerWaalsContact NZ-CD 3.3Å; K547-E1138 IonicContact NZ-OE1 3.69Å; K547-E1138 PolarHBondContact NZ-OE1 2.55Å; K547-E1138 IonicContact NZ-OE2 3.75Å; K547-E1138 PolarHBondContact NZ-OE2 2.86Å; I1134-E1138 WeakPolarHBondContact O-CB 3.27Å; I1134-E1138 PolarHBondContact O-N 3.46Å; E1135-E1138 PolarHBondContact O-N 3.43Å; R1136-E1138 VanDerWaalsContact C-N 3.32Å; R1136-E1138 PolarHBondContact O-N 3.23Å; E1138-K1142 WeakPolarHBondContact O-CG 3.26Å; E1138-K1142 VanDerWaalsContact O-N 3.16Å; E1138-K1142 PolarHBondContact O-N 2.98Å; E1138-K1142 PolarHBondContact OE1-NZ 2.88Å; E1138-K1142 IonicContact OE1-NZ 3.28Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.28Å
1139S84.3Confident75.4Confident72 Ų7271 Ų7150%0.50335%0.351SS..Hα-helixtrans-67.1-45.9179.1-57.20000111.8E1135 R1136 F1137 R1141 K1142 M1143E1135-S1139 PolarHBondContact O-N 3.45Å; E1135-S1139 PolarHBondContact O-OG 3.26Å; R1136-S1139 WeakPolarHBondContact O-CB 3.08Å; R1136-S1139 PolarHBondContact O-N 3.48Å; R1136-S1139 VanDerWaalsContact O-N 3.16Å; F1137-S1139 VanDerWaalsContact C-N 3.29Å; F1137-S1139 PolarHBondContact O-N 3.09Å; S1139-R1141 PolarHBondContact O-N 3.4Å; S1139-K1142 PolarHBondContact O-N 3.28Å; S1139-M1143 PolarHBondContact O-N 3.37Å
1140V84.1Confident72.3Confident12 Ų1272.8 Ų72.87%0.07337%0.365CS..Hα-helixtrans-61.6-45.4177.1174.60000110.9L969 E1111 V1112 R1136 F1137 K1142 M1143 F1144L969-V1140 HydrophobicContact CD1-CG1 3.96Å; E1111-V1140 HydrophobicContact CB-CG2 3.83Å; V1112-V1140 HydrophobicContact CG2-CG1 3.84Å; R1136-V1140 WeakPolarHBondContact O-CG2 3.39Å; R1136-V1140 PolarHBondContact O-N 3.08Å; F1137-V1140 PolarHBondContact O-N 3Å; V1140-K1142 VanDerWaalsContact C-N 3.34Å; V1140-K1142 PolarHBondContact O-N 3.32Å; V1140-M1143 WeakPolarHBondContact O-CB 3.43Å; V1140-M1143 PolarHBondContact O-N 3.43Å; V1140-M1143 VanDerWaalsContact O-N 3.08Å; V1140-F1144 HydrophobicContact CG1-CD2 3.81Å; V1140-F1144 HydrophobicContact CG1-CE2 3.7Å; V1140-F1144 WeakPolarHBondContact O-CD2 3.27Å; V1140-F1144 PolarHBondContact O-N 3.25Å
1141R81.4Confident69.2Low58 Ų5880.9 Ų80.922%0.21940%0.404CS..Hα-helixtrans-59.3-42.7178.2-75177.464.7-165.81.4112.7L969 M970 F1137 S1139 M1143 F1144 D1145L969-R1141 HydrophobicContact CB-CG 3.8Å; L969-R1141 HydrophobicContact CD1-CG 4.46Å; M970-R1141 VanDerWaalsContact CB-CZ 3.46Å; F1137-R1141 WeakPolarHBondContact O-CB 3.43Å; F1137-R1141 VanDerWaalsContact O-CG 3.25Å; F1137-R1141 WeakPolarHBondContact O-CG 3.4Å; F1137-R1141 PolarHBondContact O-N 3.08Å; S1139-R1141 PolarHBondContact O-N 3.4Å; R1141-M1143 PolarHBondContact O-N 3.33Å; R1141-F1144 PolarHBondContact O-N 2.68Å; R1141-D1145 PolarHBondContact O-N 2.9Å
1142K74.3Confident66.1Low95 Ų9581.9 Ų81.941%0.41341%0.412SS..Hα-helixtrans-59.6-33.6175.8-74.6170.1-174.7164.40112.5E1138 S1139 V1140 W1146E1138-K1142 WeakPolarHBondContact O-CG 3.26Å; E1138-K1142 VanDerWaalsContact O-N 3.16Å; E1138-K1142 PolarHBondContact O-N 2.98Å; E1138-K1142 PolarHBondContact OE1-NZ 2.88Å; E1138-K1142 IonicContact OE1-NZ 3.28Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.28Å; S1139-K1142 PolarHBondContact O-N 3.28Å; V1140-K1142 VanDerWaalsContact C-N 3.34Å; V1140-K1142 PolarHBondContact O-N 3.32Å; K1142-W1146 PolarHBondContact O-N 3.18Å
1143M73.1Confident63Low93 Ų9388.2 Ų88.246%0.45844%0.44SS..Hα-helixtrans-68.9-43.4177-163.3171.574.400111.6E1111 S1139 V1140 R1141 W1146 S1147E1111-M1143 HydrophobicContact CG-CE 4.16Å; S1139-M1143 PolarHBondContact O-N 3.37Å; V1140-M1143 WeakPolarHBondContact O-CB 3.43Å; V1140-M1143 PolarHBondContact O-N 3.43Å; V1140-M1143 VanDerWaalsContact O-N 3.08Å; R1141-M1143 PolarHBondContact O-N 3.33Å; M1143-W1146 PolarHBondContact O-N 2.99Å; M1143-S1147 PolarHBondContact O-OG 3.2Å
1144F63.6Low60.1Low48 Ų4895.2 Ų95.221%0.21148%0.475CS..Hα-helixtrans-66.5-36.3177.8-83.1-77000113.6L969 P1109 V1140 R1141 W1146 S1147 F1148L969-F1144 HydrophobicContact CD1-CD2 4.38Å; P1109-F1144 HydrophobicContact CB-CE2 3.66Å; P1109-F1144 HydrophobicContact CB-CZ 3.45Å; P1109-F1144 VanDerWaalsContact CB-CZ 3.45Å; P1109-F1144 HydrophobicContact CG-CE1 4.09Å; P1109-F1144 HydrophobicContact CG-CE2 3.52Å; P1109-F1144 HydrophobicContact CG-CZ 3.22Å; V1140-F1144 HydrophobicContact CG1-CD2 3.81Å; V1140-F1144 HydrophobicContact CG1-CE2 3.7Å; V1140-F1144 WeakPolarHBondContact O-CD2 3.27Å; V1140-F1144 PolarHBondContact O-N 3.25Å; R1141-F1144 PolarHBondContact O-N 2.68Å; F1144-W1146 PolarHBondContact O-N 3.38Å; F1144-S1147 PolarHBondContact O-N 3.17Å; F1144-S1147 PolarHBondContact O-OG 2.99Å; F1144-F1148 WeakPolarHBondContact O-CD2 3.45Å
1145D54.2Low57Low90 Ų90103.5 Ų103.548%0.48153%0.533SS..Hα-helixtrans-67.4-25.5176.8-69.8-20.2000112.4R1141R1141-D1145 PolarHBondContact O-N 2.9Å
1146W39.9Very low55.4Low214 Ų214102.6 Ų102.681%0.81153%0.531SS*.Hα-helixtrans-75.8-36.9179.4-149.2-16.4000112.6K1142 M1143 F1144 F1148 S1149K1142-W1146 PolarHBondContact O-N 3.18Å; M1143-W1146 PolarHBondContact O-N 2.99Å; F1144-W1146 PolarHBondContact O-N 3.38Å; W1146-F1148 PolarHBondContact O-N 3Å; W1146-F1148 VanDerWaalsContact C-N 3.26Å; W1146-S1149 PolarHBondContact O-N 3.41Å
1147S38.9Very low53.4Low68 Ų68101.1 Ų101.148%0.47653%0.533SS..Hα-helixtrans-68-17.7-179.933.10000115.1M1143 F1144M1143-S1147 PolarHBondContact O-OG 3.2Å; F1144-S1147 PolarHBondContact O-N 3.17Å; F1144-S1147 PolarHBondContact O-OG 2.99Å
1148F38.2Very low51.4Low170 Ų170106.7 Ų106.775%0.74656%0.563SS**THydrogen-bonded Turntrans-106.88.3-178.4-77.4-82.4000114.5F1144 W1146F1144-F1148 WeakPolarHBondContact O-CD2 3.45Å; W1146-F1148 PolarHBondContact O-N 3Å; W1146-F1148 VanDerWaalsContact C-N 3.26Å
1149S27.3Very low49.6Very low58 Ų58110.6 Ų110.641%0.40659%0.585SS.*SBendtrans-71.2132.8169.2-83.60000110.6W1146 M1151 S1152W1146-S1149 PolarHBondContact O-N 3.41Å; S1149-M1151 PolarHBondContact O-N 2.8Å; S1149-S1152 PolarHBondContact O-N 2.86Å; S1149-S1152 VanDerWaalsContact O-N 3.13Å; S1149-S1152 PolarHBondContact O-OG 3.18Å
1150P31.2Very low47.4Very low126 Ų126113 Ų11382%0.81859%0.59SS**G310 helixtrans-63.6-0-177.823.6-32.2000114.9S1152P1150-S1152 VanDerWaalsContact C-N 3.35Å
1151M31.8Very low45Very low170 Ų170119.7 Ų119.784%0.83762%0.624SS**G310 helixtrans-76.8-13.4171.1-76.4-165.8-165.900114.1S1149 Q1153S1149-M1151 PolarHBondContact O-N 2.8Å; M1151-Q1153 VanDerWaalsContact C-N 3.35Å; M1151-Q1153 PolarHBondContact O-N 2.74Å
1152S28.9Very low42.4Very low78 Ų78124.1 Ų124.155%0.54565%0.653SS.*G310 helixtrans-83.7-2.1-175.762.30000115.2S1149 P1150S1149-S1152 PolarHBondContact O-N 2.86Å; S1149-S1152 VanDerWaalsContact O-N 3.13Å; S1149-S1152 PolarHBondContact O-OG 3.18Å; P1150-S1152 VanDerWaalsContact C-N 3.35Å
1153Q29.7Very low39.9Very low184 Ų184126.4 Ų126.486%0.8667%0.672SS**G310 helixtrans-92.69.5173-79-170.3-13.800114.2M1151M1151-Q1153 VanDerWaalsContact C-N 3.35Å; M1151-Q1153 PolarHBondContact O-N 2.74Å
1154I33.8Very low37.1Very low147 Ų147129.2 Ų129.275%0.75469%0.69SS**  trans-124.367.8171.5-48176.3000108.4
1155C28.2Very low34.7Very low197 Ų197136.5 Ų136.5100%1.33173%0.733SS**  trans-149.90156.4-91.10000108.2

Retrieved 1,155 of 1,155 residues in 431.2 ms (Link to these results)

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