A0A087YL99_POEFO Loading...

Cadherin 24

AlphaFold DB , UniProt , Accession A0A087YL99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 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
1V35.5Very low29.3Very low194 Ų194142.8 Ų142.8100%1.17684%0.84SS**  0118.80176.80000107.4
2N26.7Very low29.3Very low162 Ų162141.3 Ų141.387%0.86684%0.843SS**  trans-10.4153.1166.6-52.6-20.1000118.2
3G28.7Very low29.3Very low64 Ų64144.8 Ų144.866%0.6685%0.845SS**  cis-165.4153.412.800000110.8
4V27.8Very low29.3Very low146 Ų146140.4 Ų140.489%0.88585%0.845SS**  66.1116.187.7-170.90000114.3
5G28.6Very low29.1Very low79 Ų79135.9 Ų135.981%0.81484%0.839SS**  trans-158.689.9160.800000109.9
6E26Very low29.8Very low133 Ų133135.2 Ų135.262%0.62184%0.837SS**  trans-65.5144.1169.3-85.6-176.9123.800111.4R8E6-R8 IonicContact OE1-CZ 3.65Å; E6-R8 IonicContact OE1-NE 3.19Å; E6-R8 PolarHBondContact OE1-NE 2.93Å; E6-R8 VanDerWaalsContact OE1-NE 3.11Å; E6-R8 IonicContact OE1-NH2 2.66Å; E6-R8 PolarHBondContact OE1-NH2 2.88Å
7V29.8Very low29.8Very low149 Ų149138.2 Ų138.290%0.90384%0.839SS**  trans-136.8124140.1-1780000108.4
8R29.2Very low29.9Very low201 Ų201144.6 Ų144.676%0.75885%0.846SS**PPolyproline II helixtrans-88162.5-178.8-81.3-174.5-173.7-161.41.2112.9E6E6-R8 IonicContact OE1-CZ 3.65Å; E6-R8 IonicContact OE1-NE 3.19Å; E6-R8 PolarHBondContact OE1-NE 2.93Å; E6-R8 VanDerWaalsContact OE1-NE 3.11Å; E6-R8 IonicContact OE1-NH2 2.66Å; E6-R8 PolarHBondContact OE1-NH2 2.88Å
9P33.6Very low30Very low123 Ų123143.6 Ų143.680%0.79984%0.841SS**PPolyproline II helixtrans-94.6155.8-169.137.1-33.4000113.9
10G28.5Very low30Very low84 Ų84145.3 Ų145.387%0.86684%0.841SS**PPolyproline II helixtrans-90.3121.416700000111.8
11R27.7Very low30.3Very low236 Ų236146.3 Ų146.389%0.89184%0.843SS**PPolyproline II helixtrans-84.5142.9163.1-91.2179169.5179.2-2.9109.5
12S29.8Very low30.1Very low125 Ų125142.8 Ų142.887%0.87482%0.824SS**  trans-134.7136.6141.457.80000109.5
13Q29.1Very low30.2Very low187 Ų187144.2 Ų144.287%0.87483%0.826SS**  trans-81.6152.5-174.8-69.1179.4-21.700111.4
14G29.6Very low30.3Very low82 Ų82153.2 Ų153.285%0.84584%0.84SS**  trans176.595.3161.300000111.2
15G26.6Very low30.5Very low73 Ų73149.2 Ų149.275%0.75383%0.828SS**  trans-118.3-175.6149.700000107.9
16P40.3Very low31Very low125 Ų125157 Ų15781%0.81283%0.833SS**  cis-130.5163.1-8.538-22.2000112.3
17E29.6Very low31.3Very low187 Ų187155.6 Ų155.687%0.87484%0.838SS**  trans-151.3118.1153.4-122.9170.4-165.900111.7
18R31.5Very low31.7Very low253 Ų253154.2 Ų154.296%0.95583%0.832SS**  trans-75.7121.3169.6-91.1179.7169.3-172.9-3.6107.9
19V31.3Very low32.2Very low125 Ų125155.9 Ų155.976%0.75884%0.839SS**  trans-123.6123.9162.4-176.40000109.4
20Q29.3Very low32.6Very low177 Ų177161.3 Ų161.383%0.82784%0.843SS**  trans-27143.4177.3-66.2161.36.100118.8P22Q20-P22 WeakPolarHBondContact O-CD 3.44Å
21D36Very low33.4Very low168 Ų168166.7 Ų166.790%0.89884%0.837SS**  trans-55.3135.3157-86.5-43.3000111.7
22P32.1Very low34.3Very low119 Ų119165.7 Ų165.777%0.77383%0.833SS**  trans-111.6140.5152.72.819.4000111.7Q20Q20-P22 WeakPolarHBondContact O-CD 3.44Å
23Q29Very low35.4Very low192 Ų192164.7 Ų164.790%0.89783%0.826SS**  trans-54.4148.1-177.6-70.2162.5-22.300114.5G25Q23-G25 PolarHBondContact O-N 3.4Å
24W31.5Very low36.4Very low253 Ų253161.1 Ų161.196%0.95881%0.805SS**  trans-49.599.1169.7-81.374.3000113.3
25G31.7Very low37.5Very low62 Ų62163.3 Ų163.364%0.63980%0.797SS**  trans-86.6116.315400000109.2Q23 S27Q23-G25 PolarHBondContact O-N 3.4Å; G25-S27 PolarHBondContact O-N 2.75Å
26R37.8Very low39Very low242 Ų242169.7 Ų169.791%0.91380%0.798SS**  trans-58.7101.8169.6-75.9-176.3176.8-173-0.2108.8
27S33.1Very low40.4Very low104 Ų104168.5 Ų168.573%0.72779%0.785SS**  trans-68.6131.716715.50000108.1G25 R29G25-S27 PolarHBondContact O-N 2.75Å; S27-R29 PolarHBondContact O-N 2.76Å
28P39.2Very low43Very low121 Ų121162.5 Ų162.579%0.78676%0.757SS**  trans-63.1126.5175.627.3-33.1000107.9R30P28-R30 PolarHBondContact O-N 3.15Å
29R39.7Very low45.7Very low236 Ų236152.2 Ų152.289%0.89172%0.719SS**  trans-52113.4173.5-80.3-178.8169.8170.2-3.5107.9S27 R31S27-R29 PolarHBondContact O-N 2.76Å; R29-R31 PolarHBondContact O-N 2.64Å; R29-R31 VanDerWaalsContact O-N 3.13Å
30R41.1Very low48.4Very low237 Ų237151 Ų15189%0.89470%0.704SS**  trans-56.8118.4164.2-86.8-173.7171-157.6-1.5107P28 R32P28-R30 PolarHBondContact O-N 3.15Å; R30-R32 PolarHBondContact O-N 3.29Å; R30-R32 VanDerWaalsContact O-N 3.12Å
31R45.3Very low51.3Low196 Ų196143 Ų14374%0.7467%0.667SS**  trans-54.1117.3170.5-87.4-177.3164.9-171.2-10.3107.5R29 S33R29-R31 PolarHBondContact O-N 2.64Å; R29-R31 VanDerWaalsContact O-N 3.13Å; R31-S33 PolarHBondContact O-N 3.42Å
32R45.8Very low53.8Low216 Ų216138.9 Ų138.982%0.81564%0.644SS**  trans-69.9114.9170.9-68.3-176.9176.7-158.3-1.7106R30R30-R32 PolarHBondContact O-N 3.29Å; R30-R32 VanDerWaalsContact O-N 3.12Å
33S53.2Low56.6Low103 Ų103133.2 Ų133.272%0.7261%0.607SS**  trans-55.2142.5158.448.20000108.2R31 L35R31-S33 PolarHBondContact O-N 3.42Å; S33-L35 PolarHBondContact O-N 3.36Å
34W50.6Low59.2Low112 Ų112127.4 Ų127.442%0.42458%0.58SS.*  trans-45.1122.7179.5-69.387.5000110.9W36 H57W34-W36 VanDerWaalsContact C-N 3.29Å; W34-H57 WeakPolarHBondContact CH2-O 3.39Å
35L53.5Low61.6Low129 Ų129120.6 Ų120.668%0.67556%0.555SS**SBendtrans-80.9-10.3-177.1-107.3122.9000113.1S33S33-L35 PolarHBondContact O-N 3.36Å
36W56.9Low63.4Low207 Ų207128.7 Ų128.778%0.78457%0.567SS**  trans-129.2100.4-178.1-62.491.1000108.7W34W34-W36 VanDerWaalsContact C-N 3.29Å
37N71.3Confident64.9Low100 Ų100118.3 Ų118.354%0.53554%0.535SS..  trans-98.110.5176.360.3-24.3000112.2F124 I125N37-F124 WeakPolarHBondContact O-CA 3.43Å; N37-F124 WeakPolarHBondContact O-CB 3.47Å; N37-I125 PolarHBondContact O-N 2.85Å
38Q84Confident66.9Low61 Ų61119 Ų11929%0.28554%0.537SS..EExtended strand (participates in β ladder)trans-143.4135.4-176.9-61.1-175.55.900112.4F40 I125Q38-F40 HydrophobicContact CB-CE2 4.49Å; Q38-I125 CarbonylContact C-O 3.59Å; Q38-I125 WeakPolarHBondContact CA-O 3.33Å; Q38-I125 HydrophobicContact CG-CB 4.44Å
39F88.1Confident68.5Low36 Ų36118.4 Ų118.416%0.15852%0.523CS..EExtended strand (participates in β ladder)trans-112.6158.1162.7-64.1-82.8000109.2L56 I89 F124 I125 I126 R127F39-L56 HydrophobicContact CE2-CD2 4.41Å; F39-L56 HydrophobicContact CZ-CD2 4.35Å; F39-I89 HydrophobicContact CE2-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4.4Å; F39-F124 AromaticContact CD2-CD2 3.42Å; F39-F124 HydrophobicContact CD2-CD2 3.42Å; F39-F124 VanDerWaalsContact CD2-CD2 3.42Å; F39-F124 AromaticContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CE2 3.49Å; F39-F124 VanDerWaalsContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CG 4.38Å; F39-F124 AromaticContact CE2-CD2 3.66Å; F39-F124 HydrophobicContact CE2-CD2 3.66Å; F39-F124 AromaticContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CG 4.25Å; F39-F124 HydrophobicContact CE2-CZ 4.36Å; F39-I125 PolarHBondContact N-O 2.79Å; F39-I126 HydrophobicContact CB-CG1 4.32Å; F39-I126 WeakPolarHBondContact O-CA 3.48Å; F39-R127 PolarHBondContact O-N 2.7Å
40F88.3Confident70.5Confident99 Ų99110.6 Ų110.643%0.43450%0.503SS..EExtended strand (participates in β ladder)trans-123139.3179-65.3-84.4000110Q38 R127 Q129Q38-F40 HydrophobicContact CB-CE2 4.49Å; F40-R127 WeakPolarHBondContact CA-O 3.18Å; F40-R127 HydrophobicContact CD1-CB 3.82Å; F40-R127 HydrophobicContact CE1-CB 3.9Å; F40-R127 HydrophobicContact CE1-CG 4.42Å; F40-Q129 HydrophobicContact CB-CG 3.98Å; F40-Q129 HydrophobicContact CD1-CG 3.77Å; F40-Q129 HydrophobicContact CG-CG 4.26Å
41V89.9Confident72.7Confident11 Ų11100.7 Ų100.77%0.06747%0.469CS..EExtended strand (participates in β ladder)trans-131.7125.6174.7-177.70000107.2I53 V91 L95 I126 R127 V128 Q129V41-I53 HydrophobicContact CB-CG2 4.49Å; V41-I53 HydrophobicContact CG1-CG2 4.32Å; V41-I53 HydrophobicContact CG2-CB 3.86Å; V41-I53 HydrophobicContact CG2-CD1 3.75Å; V41-I53 HydrophobicContact CG2-CG1 4.43Å; V41-I53 HydrophobicContact CG2-CG2 3.49Å; V41-I53 VanDerWaalsContact CG2-CG2 3.49Å; V41-V91 HydrophobicContact CG1-CG1 4.14Å; V41-L95 HydrophobicContact CB-CD1 4.25Å; V41-L95 HydrophobicContact CG1-CD1 3.93Å; V41-I126 HydrophobicContact CB-CG2 4.4Å; V41-I126 HydrophobicContact CG2-CG2 3.57Å; V41-R127 PolarHBondContact N-O 2.97Å; V41-V128 CarbonylContact O-C 3.5Å; V41-V128 VanDerWaalsContact O-CA 3.26Å; V41-V128 WeakPolarHBondContact O-CA 3.37Å; V41-Q129 PolarHBondContact O-N 3.08Å
42I88.4Confident74.8Confident80 Ų8095.9 Ų95.941%0.4146%0.458SS..EExtended strand (participates in β ladder)trans-72.4134.8175.6-57172.2000108.1Q129 I131I42-Q129 HydrophobicContact CG1-CB 4.32Å; I42-I131 HydrophobicContact CG2-CD1 3.56Å; I42-I131 HydrophobicContact CG2-CG1 3.71Å
43E89.7Confident76.9Confident0 Ų086.9 Ų86.90%043%0.425CS..THydrogen-bonded Turntrans-65.8165.5174.382.2-174.6122.800112.7Y45 L95 R97 V128 Q129 D130 I131E43-Y45 PolarHBondContact O-N 3.11Å; E43-L95 CarbonylContact C-O 3.59Å; E43-L95 VanDerWaalsContact CA-O 3.31Å; E43-L95 WeakPolarHBondContact CA-O 3.48Å; E43-L95 VanDerWaalsContact CB-O 3.3Å; E43-L95 WeakPolarHBondContact CB-O 3.37Å; E43-R97 WeakPolarHBondContact OE2-CB 3.34Å; E43-R97 PolarHBondContact OE2-N 2.79Å; E43-V128 HydrophobicContact CB-CG1 3.65Å; E43-Q129 PolarHBondContact N-O 3.42Å; E43-D130 WeakPolarHBondContact OE1-CA 3.37Å; E43-I131 HydrophobicContact CG-CB 3.94Å; E43-I131 HydrophobicContact CG-CD1 4.21Å; E43-I131 HydrophobicContact CG-CG1 3.95Å; E43-I131 WeakPolarHBondContact O-CD1 3.28Å; E43-I131 PolarHBondContact OE1-N 3.45Å
44E85.1Confident78.6Confident71 Ų7182.6 Ų82.633%0.33240%0.398SS..THydrogen-bonded Turntrans48.728.2174.7-72.5-63.1145.200114.3R46 L95E44-R46 VanDerWaalsContact O-CG 3.22Å; E44-R46 WeakPolarHBondContact O-CG 3.34Å; E44-R46 PolarHBondContact O-N 2.78Å; E44-R46 VanDerWaalsContact O-N 3.14Å; E44-L95 PolarHBondContact N-O 2.84Å
45Y81.4Confident80.5Confident110 Ų11084 Ų8443%0.43140%0.403SS..  trans-64.5117.3-172.5-179.4-93.4000111.5E43 G47 V51E43-Y45 PolarHBondContact O-N 3.11Å; Y45-G47 PolarHBondContact O-N 2.87Å; Y45-V51 HydrophobicContact CD1-CG1 4.45Å; Y45-V51 HydrophobicContact CD1-CG2 3.52Å; Y45-V51 HydrophobicContact CE1-CB 4.37Å; Y45-V51 HydrophobicContact CE1-CG1 4.06Å; Y45-V51 HydrophobicContact CE1-CG2 3.39Å
46R68.3Low82.2Confident232 Ų23278.3 Ų78.388%0.87537%0.373SS*.  trans-96.647.2-174.8-53.9-169.3-179.3176.90.5114.1E44E44-R46 VanDerWaalsContact O-CG 3.22Å; E44-R46 WeakPolarHBondContact O-CG 3.34Å; E44-R46 PolarHBondContact O-N 2.78Å; E44-R46 VanDerWaalsContact O-N 3.14Å
47G70.9Confident83.7Confident24 Ų2473.2 Ų73.225%0.24736%0.357CS..SBendtrans-116.9178.8177.300000113.8Y45 E49Y45-G47 PolarHBondContact O-N 2.87Å; G47-E49 PolarHBondContact O-N 3.17Å
48P74.4Confident84.4Confident118 Ų11868.7 Ų68.777%0.76633%0.333SS*.SBendtrans-66.7122.4178.927-32.3000110.7
49E71.9Confident84.5Confident108 Ų10872 Ų7251%0.50535%0.353SS..SBendtrans-83.8148.3174.9-67177.6165.600111.3G47 K93 A94G47-E49 PolarHBondContact O-N 3.17Å; E49-K93 VanDerWaalsContact OE1-C 3.25Å; E49-K93 WeakPolarHBondContact OE1-CA 3.35Å; E49-A94 PolarHBondContact OE1-N 3.44Å
50P82.7Confident84.4Confident73 Ų7374.9 Ų74.947%0.47437%0.368SS..SBendcis-86.4142.61.336.2-36.2000112.6H90 V91 T92P50-H90 HydrophobicContact CB-CB 3.83Å; P50-H90 HydrophobicContact CG-CB 4.37Å; P50-V91 CarbonylContact C-O 3.57Å; P50-V91 VanDerWaalsContact CA-O 3.26Å; P50-V91 WeakPolarHBondContact CA-O 3.38Å; P50-V91 WeakPolarHBondContact CB-O 3.19Å; P50-T92 HydrophobicContact CB-CG2 4.26Å
51V86.8Confident84.3Confident28 Ų2871.5 Ų71.517%0.1736%0.355CS..EExtended strand (participates in β ladder)trans-91.9127.2-173-177.40000110.1Y45 I53 H90 V91Y45-V51 HydrophobicContact CD1-CG1 4.45Å; Y45-V51 HydrophobicContact CD1-CG2 3.52Å; Y45-V51 HydrophobicContact CE1-CB 4.37Å; Y45-V51 HydrophobicContact CE1-CG1 4.06Å; Y45-V51 HydrophobicContact CE1-CG2 3.39Å; V51-I53 PolarHBondContact O-N 3.36Å; V51-H90 CarbonylContact O-C 3.55Å; V51-H90 WeakPolarHBondContact O-CA 3.38Å; V51-H90 WeakPolarHBondContact O-CB 3.37Å; V51-V91 HydrophobicContact CB-CG1 3.7Å; V51-V91 HydrophobicContact CG2-CG1 4.37Å; V51-V91 PolarHBondContact N-O 2.72Å; V51-V91 PolarHBondContact O-N 2.81Å
52L89.6Confident84Confident96 Ų9681.1 Ų81.150%0.50339%0.39SS..EExtended strand (participates in β ladder)trans-71.6117.6175.8179.471.1000110.3G54 N88L52-G54 WeakPolarHBondContact CD1-O 3.16Å; L52-N88 HydrophobicContact CD1-CB 3.54Å
53I89.7Confident83.6Confident27 Ų2780.5 Ų80.514%0.13840%0.403CS..EExtended strand (participates in β ladder)trans-107.9-17.6-176.461.6167.8000113.1V41 V51 F80 I89 V91 I126V41-I53 HydrophobicContact CB-CG2 4.49Å; V41-I53 HydrophobicContact CG1-CG2 4.32Å; V41-I53 HydrophobicContact CG2-CB 3.86Å; V41-I53 HydrophobicContact CG2-CD1 3.75Å; V41-I53 HydrophobicContact CG2-CG1 4.43Å; V41-I53 HydrophobicContact CG2-CG2 3.49Å; V41-I53 VanDerWaalsContact CG2-CG2 3.49Å; V51-I53 PolarHBondContact O-N 3.36Å; I53-F80 HydrophobicContact CD1-CD1 3.7Å; I53-F80 HydrophobicContact CD1-CE1 3.77Å; I53-I89 HydrophobicContact CD1-CB 4.49Å; I53-I89 HydrophobicContact CD1-CG2 3.77Å; I53-I89 HydrophobicContact CG1-CB 4.02Å; I53-I89 HydrophobicContact CG1-CG2 3.8Å; I53-I89 WeakPolarHBondContact CG1-O 3.35Å; I53-I89 PolarHBondContact N-O 3.25Å; I53-V91 HydrophobicContact CG2-CB 4.12Å; I53-V91 HydrophobicContact CG2-CG1 3.69Å; I53-I126 HydrophobicContact CD1-CD1 3.66Å; I53-I126 HydrophobicContact CD1-CG2 4.37Å
54G88.6Confident83.2Confident13 Ų1384.7 Ų84.713%0.13443%0.426CS..EExtended strand (participates in β ladder)trans179.4173.6-177.400000112.3L52 I89L52-G54 WeakPolarHBondContact CD1-O 3.16Å; G54-I89 PolarHBondContact O-N 3.05Å
55R90.3Very high83.1Confident142 Ų14283.5 Ų83.554%0.53643%0.432SS..EExtended strand (participates in β ladder)trans-140.2128.5176.2-176.4179.9-177.2-173.6-1.8110.1T86 G87 N88R55-T86 PolarHBondContact NE-O 3.43Å; R55-T86 PolarHBondContact NH2-O 3.2Å; R55-T86 VanDerWaalsContact NH2-O 3.15Å; R55-G87 CarbonylContact C-O 3.55Å; R55-G87 WeakPolarHBondContact CA-O 3.36Å; R55-N88 WeakPolarHBondContact CD-OD1 3.19Å; R55-N88 VanDerWaalsContact CG-OD1 3.27Å; R55-N88 WeakPolarHBondContact CG-OD1 3.47Å
56L89.3Confident83.4Confident9 Ų983.7 Ų83.75%0.04743%0.432CS..  trans-81.7142.9167.7-60-177000110.2F39 Y69 L71 I82 G87 I89 A107F39-L56 HydrophobicContact CE2-CD2 4.41Å; F39-L56 HydrophobicContact CZ-CD2 4.35Å; L56-Y69 HydrophobicContact CB-CD1 3.99Å; L56-Y69 HydrophobicContact CB-CE1 4.36Å; L56-L71 HydrophobicContact CD1-CD2 3.91Å; L56-I82 HydrophobicContact CD1-CD1 3.57Å; L56-I82 HydrophobicContact CG-CD1 4.11Å; L56-G87 PolarHBondContact N-O 3.33Å; L56-I89 HydrophobicContact CD1-CD1 4.49Å; L56-I89 HydrophobicContact CD2-CD1 4.16Å; L56-I89 HydrophobicContact CG-CD1 3.97Å; L56-I89 HydrophobicContact CG-CG1 4.39Å; L56-A107 HydrophobicContact CD1-CB 3.49Å; L56-A107 VanDerWaalsContact CD1-CB 3.49Å; L56-A107 HydrophobicContact CD2-CB 4.16Å; L56-A107 HydrophobicContact CG-CB 4.49Å
57H88.1Confident84.5Confident99 Ų9972.9 Ų72.946%0.45839%0.392SS..  trans-150.1141.6177-176.459.5000111W34W34-H57 WeakPolarHBondContact CH2-O 3.39Å
58T86.4Confident85.5Confident5 Ų575.9 Ų75.93%0.03140%0.398CS..  trans-121142.3173.2168.40000108.4M60 D61 T67 Y69 A109 E119T58-M60 HydrophobicContact CG2-CB 4.41Å; T58-M60 PolarHBondContact O-N 3.4Å; T58-M60 WeakPolarHBondContact OG1-CB 3.23Å; T58-M60 PolarHBondContact OG1-N 3.36Å; T58-M60 VanDerWaalsContact OG1-N 3.16Å; T58-D61 HydrophobicContact CG2-CB 3.95Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.43Å; T58-D61 PolarHBondContact O-N 3.3Å; T58-T67 HydrophobicContact CG2-CG2 3.95Å; T58-Y69 HydrophobicContact CG2-CE1 4Å; T58-Y69 PolarHBondContact N-OH 3.09Å; T58-A109 HydrophobicContact CG2-CB 4.17Å; T58-E119 WeakPolarHBondContact OG1-CG 3.36Å
59D86.9Confident86.4Confident130 Ų13070.4 Ų70.470%0.69536%0.362SS*.THydrogen-bonded Turntrans-69.6-9.2174.863.9-25.6000113.1D61D59-D61 VanDerWaalsContact C-N 3.31Å
60M85.8Confident87.4Confident97 Ų9767.7 Ų67.748%0.47835%0.35SS..THydrogen-bonded Turntrans-79.6-13.7170-62.4-64.9-71.800112.8T58 R62 L118T58-M60 HydrophobicContact CG2-CB 4.41Å; T58-M60 PolarHBondContact O-N 3.4Å; T58-M60 WeakPolarHBondContact OG1-CB 3.23Å; T58-M60 PolarHBondContact OG1-N 3.36Å; T58-M60 VanDerWaalsContact OG1-N 3.16Å; M60-R62 PolarHBondContact O-N 2.83Å; M60-L118 HydrophobicContact CB-CB 4.44Å
61D86.1Confident87.9Confident29 Ų2964.8 Ų64.816%0.15533%0.331CS..  trans-76.7114.3176.7-174.820.3000110.7T58 D59 G63 T67 Y69T58-D61 HydrophobicContact CG2-CB 3.95Å; T58-D61 VanDerWaalsContact O-CB 3.31Å; T58-D61 WeakPolarHBondContact O-CB 3.43Å; T58-D61 PolarHBondContact O-N 3.3Å; D59-D61 VanDerWaalsContact C-N 3.31Å; D61-G63 VanDerWaalsContact C-N 3.34Å; D61-G63 PolarHBondContact OD1-N 2.8Å; D61-G63 VanDerWaalsContact OD1-N 3.17Å; D61-T67 WeakPolarHBondContact CA-OG1 3.39Å; D61-T67 HydrophobicContact CB-CG2 4.24Å; D61-T67 WeakPolarHBondContact CB-OG1 3.49Å; D61-T67 VanDerWaalsContact CG-OG1 3.26Å; D61-T67 PolarHBondContact OD1-OG1 3.17Å; D61-Y69 WeakPolarHBondContact CB-OH 3.24Å; D61-Y69 PolarHBondContact OD2-OH 3.42Å
62R83.4Confident88.2Confident213 Ų21369 Ų6980%0.80435%0.348SS*.  trans-90.92.1-178.8-63.5-177.9-179.2174.91.5113.1M60 D64M60-R62 PolarHBondContact O-N 2.83Å; R62-D64 PolarHBondContact O-N 3.27Å
63G79.4Confident88.4Confident67 Ų6766.8 Ų66.869%0.69135%0.349SS*.SBendtrans69.916.4-175.700000113.5D61 G65D61-G63 VanDerWaalsContact C-N 3.34Å; D61-G63 PolarHBondContact OD1-N 2.8Å; D61-G63 VanDerWaalsContact OD1-N 3.17Å; G63-G65 VanDerWaalsContact C-N 3.31Å
64D82.8Confident88.5Confident87 Ų8769.5 Ų69.547%0.46536%0.361SS..SBendtrans-904.1177.660.91.5000112.8R62 R66R62-D64 PolarHBondContact O-N 3.27Å; D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.14Å; D64-R66 WeakPolarHBondContact OD1-CB 3.37Å; D64-R66 PolarHBondContact OD1-N 2.91Å; D64-R66 VanDerWaalsContact OD1-N 3.11Å; D64-R66 WeakPolarHBondContact OD2-CD 3.28Å
65G82.2Confident88.5Confident46 Ų4669.8 Ų69.847%0.47437%0.365SS..SBendtrans767.9-18000000114.5G63 R112G63-G65 VanDerWaalsContact C-N 3.31Å; G65-R112 VanDerWaalsContact O-CD 3.28Å; G65-R112 WeakPolarHBondContact O-CD 3.34Å; G65-R112 PolarHBondContact O-NE 2.88Å
66R88.2Confident88.6Confident115 Ų11565.5 Ų65.543%0.43435%0.354SS..  trans-78.7-19.1179-69.6-174.9157.9-129-12.7113.7D64 R112 E113D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.14Å; D64-R66 WeakPolarHBondContact OD1-CB 3.37Å; D64-R66 PolarHBondContact OD1-N 2.91Å; D64-R66 VanDerWaalsContact OD1-N 3.11Å; D64-R66 WeakPolarHBondContact OD2-CD 3.28Å; R66-R112 WeakPolarHBondContact O-CB 3.26Å; R66-R112 WeakPolarHBondContact O-CG 3.39Å; R66-R112 PolarHBondContact O-N 3.28Å; R66-E113 IonicContact CZ-OE2 3.28Å; R66-E113 IonicContact NH1-OE2 3.1Å; R66-E113 PolarHBondContact NH1-OE2 2.95Å; R66-E113 IonicContact NH2-OE1 3.1Å; R66-E113 IonicContact NH2-OE2 2.67Å; R66-E113 PolarHBondContact NH2-OE2 3.18Å
67T91Very high88.5Confident5 Ų568 Ų683%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-79137.1178.3-48.80000110.4T58 D61 Y69 R112 L118T58-T67 HydrophobicContact CG2-CG2 3.95Å; D61-T67 WeakPolarHBondContact CA-OG1 3.39Å; D61-T67 HydrophobicContact CB-CG2 4.24Å; D61-T67 WeakPolarHBondContact CB-OG1 3.49Å; D61-T67 VanDerWaalsContact CG-OG1 3.26Å; D61-T67 PolarHBondContact OD1-OG1 3.17Å; T67-Y69 HydrophobicContact CG2-CD2 4.36Å; T67-Y69 HydrophobicContact CG2-CE1 4Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; T67-R112 PolarHBondContact O-NE 2.88Å; T67-R112 VanDerWaalsContact O-NE 3.08Å; T67-L118 HydrophobicContact CG2-CD1 3.93Å
68K92.8Very high88.6Confident86 Ų8667 Ų6737%0.37439%0.387SS..EExtended strand (participates in β ladder)trans-121.8117.7169.2-172.5-176.6179-167.20110M70 G84 A109 T110 R112K68-M70 HydrophobicContact CD-CG 4.27Å; K68-M70 HydrophobicContact CD-SD 4.04Å; K68-M70 HydrophobicContact CG-CG 4.15Å; K68-G84 WeakPolarHBondContact CA-O 3.42Å; K68-A109 WeakPolarHBondContact O-CA 3.4Å; K68-T110 PolarHBondContact N-O 3.42Å; K68-T110 PolarHBondContact O-N 2.93Å; K68-R112 HydrophobicContact CB-CG 3.74Å
69Y92.9Very high88.9Confident4 Ų467.2 Ų67.22%0.01639%0.387CS..EExtended strand (participates in β ladder)trans-88.3138.5172-59.5-77.5000110.6L56 T58 D61 T67 G84 G87 A109L56-Y69 HydrophobicContact CB-CD1 3.99Å; L56-Y69 HydrophobicContact CB-CE1 4.36Å; T58-Y69 HydrophobicContact CG2-CE1 4Å; T58-Y69 PolarHBondContact N-OH 3.09Å; D61-Y69 WeakPolarHBondContact CB-OH 3.24Å; D61-Y69 PolarHBondContact OD2-OH 3.42Å; T67-Y69 HydrophobicContact CG2-CD2 4.36Å; T67-Y69 HydrophobicContact CG2-CE1 4Å; T67-Y69 HydrophobicContact CG2-CE2 3.83Å; Y69-G84 PolarHBondContact N-O 2.83Å; Y69-G84 VanDerWaalsContact N-O 3.09Å; Y69-G84 VanDerWaalsContact O-CA 3.28Å; Y69-G84 WeakPolarHBondContact O-CA 3.37Å; Y69-G87 VanDerWaalsContact CD2-CA 3.43Å; Y69-A109 HydrophobicContact CD1-CB 4.11Å; Y69-A109 HydrophobicContact CE1-CB 4.16Å
70M92.5Very high89.2Confident50 Ų5061 Ų6125%0.24635%0.354CS..EExtended strand (participates in β ladder)trans-139.1149177.1-57-178.1-54.600110K68 T108 T110K68-M70 HydrophobicContact CD-CG 4.27Å; K68-M70 HydrophobicContact CD-SD 4.04Å; K68-M70 HydrophobicContact CG-CG 4.15Å; M70-T108 WeakPolarHBondContact CE-OG1 3.38Å; M70-T108 PolarHBondContact N-O 2.91Å; M70-T108 PolarHBondContact O-N 2.82Å; M70-T110 HydrophobicContact CE-CG2 4.02Å
71L93.6Very high89.5Confident13 Ų1358.8 Ų58.87%0.06835%0.346CS..EExtended strand (participates in β ladder)trans-115.8143.1171.8-69.8-179.8000108.8L56 V76 I82 I89 A107 F124L56-L71 HydrophobicContact CD1-CD2 3.91Å; L71-V76 HydrophobicContact CB-CG1 4.07Å; L71-V76 HydrophobicContact CB-CG2 3.97Å; L71-V76 WeakPolarHBondContact O-CG1 3.31Å; L71-I82 HydrophobicContact CB-CG2 4.09Å; L71-I82 HydrophobicContact CD1-CB 3.77Å; L71-I82 HydrophobicContact CD1-CD1 4.36Å; L71-I82 HydrophobicContact CD1-CG2 4.15Å; L71-I82 HydrophobicContact CD2-CD1 4.34Å; L71-I82 HydrophobicContact CG-CB 3.86Å; L71-I82 HydrophobicContact CG-CD1 3.92Å; L71-I82 HydrophobicContact CG-CG1 4.49Å; L71-I82 HydrophobicContact CG-CG2 3.79Å; L71-I89 HydrophobicContact CD1-CD1 4.14Å; L71-I89 HydrophobicContact CD1-CG1 4.1Å; L71-I89 HydrophobicContact CD1-CG2 3.86Å; L71-I89 HydrophobicContact CD2-CD1 4.35Å; L71-A107 HydrophobicContact CD2-CB 4.32Å; L71-F124 HydrophobicContact CD2-CE1 3.62Å; L71-F124 HydrophobicContact CD2-CZ 3.58Å
72E93.4Very high89.9Confident115 Ų11559.1 Ų59.154%0.53735%0.348SS..EExtended strand (participates in β ladder)trans-134.8154.9170.5-64.8179.5179.100108.3L105 T106E72-L105 WeakPolarHBondContact O-CA 3.44Å; E72-T106 PolarHBondContact N-O 3.02Å; E72-T106 PolarHBondContact O-N 3.38Å
73G92.4Very high90.4Very high51 Ų5151.8 Ų51.853%0.52632%0.324SS..EExtended strand (participates in β ladder)trans120.3-158.1179.900000113.6
74E92.7Very high90.9Very high83 Ų8349.4 Ų49.439%0.38830%0.3SS..THydrogen-bonded Turntrans-70.2130.1-170.9-59.7-175.6163.300112.9V76 K100 Y103 R104 L105E74-V76 PolarHBondContact O-N 3.27Å; E74-K100 IonicContact OE1-NZ 2.75Å; E74-K100 WeakPolarHBondContact OE2-CE 3.28Å; E74-K100 IonicContact OE2-NZ 3.07Å; E74-K100 PolarHBondContact OE2-NZ 2.82Å; E74-Y103 HydrophobicContact CB-CD1 4.2Å; E74-R104 PolarHBondContact N-O 2.84Å; E74-L105 WeakPolarHBondContact O-CD2 3.34Å
75G89.1Confident91.2Very high20 Ų2049.9 Ų49.921%0.20630%0.302CS..THydrogen-bonded Turntrans71.95.5175.500000114.9G77 S78 V79 F80G75-G77 PolarHBondContact O-N 3.04Å; G75-S78 PolarHBondContact O-N 2.92Å; G75-S78 PolarHBondContact O-OG 2.83Å; G75-V79 WeakPolarHBondContact O-CA 3.49Å; G75-V79 WeakPolarHBondContact O-CB 3.48Å; G75-V79 PolarHBondContact O-N 2.86Å; G75-F80 PolarHBondContact O-N 2.9Å
76V92.2Very high91.6Very high51 Ų5149.7 Ų49.731%0.30929%0.292SS..BIsolated β-bridgetrans-67.2130.9173.6-178.60000110.2L71 E74 S78 L105L71-V76 HydrophobicContact CB-CG1 4.07Å; L71-V76 HydrophobicContact CB-CG2 3.97Å; L71-V76 WeakPolarHBondContact O-CG1 3.31Å; E74-V76 PolarHBondContact O-N 3.27Å; V76-S78 PolarHBondContact O-N 3.23Å; V76-L105 HydrophobicContact CG2-CD2 3.35Å
77G87.4Confident91.7Very high62 Ų6244.2 Ų44.264%0.63927%0.271SS*.THydrogen-bonded Turntrans85.4-18.3-179.700000114.6G75 F80G75-G77 PolarHBondContact O-N 3.04Å; G77-F80 PolarHBondContact N-O 3.46Å
78S89.8Confident91.8Very high79 Ų7945.8 Ų45.855%0.55228%0.279SS*.THydrogen-bonded Turntrans-112.5-34.2175.857.40000113.8G75 V76 T92G75-S78 PolarHBondContact O-N 2.92Å; G75-S78 PolarHBondContact O-OG 2.83Å; V76-S78 PolarHBondContact O-N 3.23Å; S78-T92 PolarHBondContact O-OG1 3.48Å
79V91.6Very high91.8Very high8 Ų841.7 Ų41.75%0.04826%0.262CS..THydrogen-bonded Turntrans-117.7-48.1-177.4-171.40000110.1G75 V91 T92 K93 L95G75-V79 WeakPolarHBondContact O-CA 3.49Å; G75-V79 WeakPolarHBondContact O-CB 3.48Å; G75-V79 PolarHBondContact O-N 2.86Å; V79-V91 HydrophobicContact CG1-CG2 4.31Å; V79-V91 WeakPolarHBondContact O-CA 3.34Å; V79-T92 PolarHBondContact O-N 3.16Å; V79-T92 PolarHBondContact O-OG1 3.29Å; V79-K93 HydrophobicContact CG1-CG 4.43Å; V79-L95 HydrophobicContact CG1-CD2 3.36Å
80F93.3Very high91.7Very high0 Ų043.4 Ų43.40%027%0.27CS..EExtended strand (participates in β ladder)trans-113.9134.8-179.7-55.3-72.6000111.5I53 G75 G77 H90 V91 L95 Y103 L105 I126I53-F80 HydrophobicContact CD1-CD1 3.7Å; I53-F80 HydrophobicContact CD1-CE1 3.77Å; G75-F80 PolarHBondContact O-N 2.9Å; G77-F80 PolarHBondContact N-O 3.46Å; F80-H90 WeakPolarHBondContact CA-O 3.46Å; F80-V91 HydrophobicContact CD1-CB 4.21Å; F80-V91 HydrophobicContact CD1-CG2 4.35Å; F80-V91 HydrophobicContact CE1-CB 4.14Å; F80-V91 HydrophobicContact CE1-CG2 4.03Å; F80-L95 HydrophobicContact CE1-CD1 4.39Å; F80-L95 HydrophobicContact CZ-CD1 4.07Å; F80-Y103 AromaticContact CE2-CD1 3.69Å; F80-Y103 HydrophobicContact CE2-CD1 3.69Å; F80-Y103 AromaticContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CE1 4.16Å; F80-Y103 HydrophobicContact CE2-CE2 4.32Å; F80-Y103 AromaticContact CE2-CG 3.49Å; F80-Y103 HydrophobicContact CE2-CG 3.49Å; F80-Y103 VanDerWaalsContact CE2-CG 3.49Å; F80-Y103 AromaticContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CE2 4.29Å; F80-Y103 HydrophobicContact CZ-CG 4.02Å; F80-L105 HydrophobicContact CD2-CD1 4.19Å; F80-L105 HydrophobicContact CG-CD1 4.41Å; F80-I126 HydrophobicContact CD1-CD1 3.59Å; F80-I126 HydrophobicContact CD2-CD1 4.12Å; F80-I126 HydrophobicContact CE1-CD1 3.49Å; F80-I126 VanDerWaalsContact CE1-CD1 3.49Å; F80-I126 HydrophobicContact CE1-CG2 4.02Å; F80-I126 HydrophobicContact CE2-CD1 4.04Å; F80-I126 HydrophobicContact CG-CD1 3.91Å; F80-I126 HydrophobicContact CZ-CB 4.23Å; F80-I126 HydrophobicContact CZ-CD1 3.73Å; F80-I126 HydrophobicContact CZ-CG2 3.95Å
81V93.6Very high91.7Very high51 Ų5141.4 Ų41.431%0.30926%0.26SS..EExtended strand (participates in β ladder)trans-126.7141.8173.4-63.90000109.8I89 H90 T92V81-I89 CarbonylContact O-C 3.56Å; V81-I89 WeakPolarHBondContact O-CA 3.27Å; V81-H90 HydrophobicContact CG2-CB 4.02Å; V81-H90 PolarHBondContact N-O 2.8Å; V81-H90 PolarHBondContact O-N 2.94Å; V81-T92 HydrophobicContact CB-CG2 4.22Å; V81-T92 HydrophobicContact CG1-CG2 3.75Å; V81-T92 HydrophobicContact CG2-CG2 3.5Å
82I94.4Very high91.5Very high36 Ų3642.9 Ų42.919%0.18527%0.27CS..EExtended strand (participates in β ladder)trans-114.4135174.3-171.1166.5000110.3L56 L71 G84 N88 I89L56-I82 HydrophobicContact CD1-CD1 3.57Å; L56-I82 HydrophobicContact CG-CD1 4.11Å; L71-I82 HydrophobicContact CB-CG2 4.09Å; L71-I82 HydrophobicContact CD1-CB 3.77Å; L71-I82 HydrophobicContact CD1-CD1 4.36Å; L71-I82 HydrophobicContact CD1-CG2 4.15Å; L71-I82 HydrophobicContact CD2-CD1 4.34Å; L71-I82 HydrophobicContact CG-CB 3.86Å; L71-I82 HydrophobicContact CG-CD1 3.92Å; L71-I82 HydrophobicContact CG-CG1 4.49Å; L71-I82 HydrophobicContact CG-CG2 3.79Å; I82-G84 PolarHBondContact O-N 2.8Å; I82-N88 WeakPolarHBondContact CA-O 3.29Å; I82-I89 HydrophobicContact CD1-CG1 4.09Å; I82-I89 HydrophobicContact CG1-CG1 4.28Å
83D93Very high91.3Very high58 Ų5841.6 Ų41.631%0.3126%0.263SS..  trans-76.2110165.3175.6-6000109N85 T86 G87 N88D83-N85 PolarHBondContact O-N 2.78Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CB 3.44Å; D83-N85 PolarHBondContact OD1-N 2.9Å; D83-T86 VanDerWaalsContact CB-OG1 3.24Å; D83-T86 WeakPolarHBondContact CB-OG1 3.45Å; D83-T86 PolarHBondContact O-N 2.91Å; D83-T86 PolarHBondContact OD1-N 3.41Å; D83-T86 VanDerWaalsContact OD2-CG2 3.23Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.26Å; D83-T86 PolarHBondContact OD2-OG1 2.82Å; D83-G87 WeakPolarHBondContact O-CA 3.18Å; D83-G87 PolarHBondContact O-N 2.85Å; D83-N88 HydrophobicContact CB-CB 4.46Å; D83-N88 PolarHBondContact N-O 2.93Å
84G90.9Very high91.2Very high17 Ų1741.1 Ų41.118%0.17525%0.254CS..THydrogen-bonded Turntrans-66-12.2-178.300000115.1K68 Y69 I82 R112K68-G84 WeakPolarHBondContact CA-O 3.42Å; Y69-G84 PolarHBondContact N-O 2.83Å; Y69-G84 VanDerWaalsContact N-O 3.09Å; Y69-G84 VanDerWaalsContact O-CA 3.28Å; Y69-G84 WeakPolarHBondContact O-CA 3.37Å; I82-G84 PolarHBondContact O-N 2.8Å; G84-R112 VanDerWaalsContact C-NH2 3.32Å; G84-R112 PolarHBondContact O-NH2 2.86Å
85N89.4Confident91.1Very high97 Ų9737.4 Ų37.452%0.51924%0.236SC..THydrogen-bonded Turntrans-88.5-42.5173.2-60.2-37.6000111.7D83 R112D83-N85 PolarHBondContact O-N 2.78Å; D83-N85 VanDerWaalsContact O-N 3.14Å; D83-N85 WeakPolarHBondContact OD1-CB 3.44Å; D83-N85 PolarHBondContact OD1-N 2.9Å; N85-R112 PolarHBondContact OD1-NH1 2.77Å; N85-R112 PolarHBondContact OD1-NH2 3.15Å
86T89.7Confident91.3Very high42 Ų4239 Ų3926%0.25824%0.24SC..THydrogen-bonded Turntrans-99-22.7-170.860.90000113.3R55 D83 N88R55-T86 PolarHBondContact NE-O 3.43Å; R55-T86 PolarHBondContact NH2-O 3.2Å; R55-T86 VanDerWaalsContact NH2-O 3.15Å; D83-T86 VanDerWaalsContact CB-OG1 3.24Å; D83-T86 WeakPolarHBondContact CB-OG1 3.45Å; D83-T86 PolarHBondContact O-N 2.91Å; D83-T86 PolarHBondContact OD1-N 3.41Å; D83-T86 VanDerWaalsContact OD2-CG2 3.23Å; D83-T86 WeakPolarHBondContact OD2-CG2 3.26Å; D83-T86 PolarHBondContact OD2-OG1 2.82Å; T86-N88 VanDerWaalsContact C-N 3.25Å; T86-N88 WeakPolarHBondContact OG1-CB 3.11Å; T86-N88 PolarHBondContact OG1-N 2.97Å
87G89.9Confident91.3Very high0 Ų038.2 Ų38.20%023%0.232CC..  trans79.94.9-172.100000113.5R55 L56 Y69 D83 I89R55-G87 CarbonylContact C-O 3.55Å; R55-G87 WeakPolarHBondContact CA-O 3.36Å; L56-G87 PolarHBondContact N-O 3.33Å; Y69-G87 VanDerWaalsContact CD2-CA 3.43Å; D83-G87 WeakPolarHBondContact O-CA 3.18Å; D83-G87 PolarHBondContact O-N 2.85Å; G87-I89 PolarHBondContact O-N 3.24Å
88N92.7Very high91.5Very high38 Ų3838.2 Ų38.220%0.20322%0.215CC..EExtended strand (participates in β ladder)trans-69.9122.6179.8-74.7-8.4000110.8L52 R55 I82 D83 T86 H90L52-N88 HydrophobicContact CD1-CB 3.54Å; R55-N88 WeakPolarHBondContact CD-OD1 3.19Å; R55-N88 VanDerWaalsContact CG-OD1 3.27Å; R55-N88 WeakPolarHBondContact CG-OD1 3.47Å; I82-N88 WeakPolarHBondContact CA-O 3.29Å; D83-N88 HydrophobicContact CB-CB 4.46Å; D83-N88 PolarHBondContact N-O 2.93Å; T86-N88 VanDerWaalsContact C-N 3.25Å; T86-N88 WeakPolarHBondContact OG1-CB 3.11Å; T86-N88 PolarHBondContact OG1-N 2.97Å; N88-H90 PolarHBondContact O-ND1 2.99Å
89I92.8Very high91.7Very high0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7127.6176-50.3177.6000108.1F39 I53 G54 L56 L71 V81 I82 G87 F124F39-I89 HydrophobicContact CE2-CD1 4.13Å; F39-I89 HydrophobicContact CZ-CD1 4.4Å; I53-I89 HydrophobicContact CD1-CB 4.49Å; I53-I89 HydrophobicContact CD1-CG2 3.77Å; I53-I89 HydrophobicContact CG1-CB 4.02Å; I53-I89 HydrophobicContact CG1-CG2 3.8Å; I53-I89 WeakPolarHBondContact CG1-O 3.35Å; I53-I89 PolarHBondContact N-O 3.25Å; G54-I89 PolarHBondContact O-N 3.05Å; L56-I89 HydrophobicContact CD1-CD1 4.49Å; L56-I89 HydrophobicContact CD2-CD1 4.16Å; L56-I89 HydrophobicContact CG-CD1 3.97Å; L56-I89 HydrophobicContact CG-CG1 4.39Å; L71-I89 HydrophobicContact CD1-CD1 4.14Å; L71-I89 HydrophobicContact CD1-CG1 4.1Å; L71-I89 HydrophobicContact CD1-CG2 3.86Å; L71-I89 HydrophobicContact CD2-CD1 4.35Å; V81-I89 CarbonylContact O-C 3.56Å; V81-I89 WeakPolarHBondContact O-CA 3.27Å; I82-I89 HydrophobicContact CD1-CG1 4.09Å; I82-I89 HydrophobicContact CG1-CG1 4.28Å; G87-I89 PolarHBondContact O-N 3.24Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CD1-CZ 3.96Å
90H91.8Very high91.7Very high41 Ų4144.3 Ų44.319%0.1923%0.233CC..EExtended strand (participates in β ladder)trans-120145174.9-51.375.4000111.5P50 V51 F80 V81 N88P50-H90 HydrophobicContact CB-CB 3.83Å; P50-H90 HydrophobicContact CG-CB 4.37Å; V51-H90 CarbonylContact O-C 3.55Å; V51-H90 WeakPolarHBondContact O-CA 3.38Å; V51-H90 WeakPolarHBondContact O-CB 3.37Å; F80-H90 WeakPolarHBondContact CA-O 3.46Å; V81-H90 HydrophobicContact CG2-CB 4.02Å; V81-H90 PolarHBondContact N-O 2.8Å; V81-H90 PolarHBondContact O-N 2.94Å; N88-H90 PolarHBondContact O-ND1 2.99Å
91V92.6Very high91.6Very high7 Ų748.1 Ų48.14%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-90.5137.6164.4650000108.9V41 P50 V51 I53 V79 F80 K93 L95V41-V91 HydrophobicContact CG1-CG1 4.14Å; P50-V91 CarbonylContact C-O 3.57Å; P50-V91 VanDerWaalsContact CA-O 3.26Å; P50-V91 WeakPolarHBondContact CA-O 3.38Å; P50-V91 WeakPolarHBondContact CB-O 3.19Å; V51-V91 HydrophobicContact CB-CG1 3.7Å; V51-V91 HydrophobicContact CG2-CG1 4.37Å; V51-V91 PolarHBondContact N-O 2.72Å; V51-V91 PolarHBondContact O-N 2.81Å; I53-V91 HydrophobicContact CG2-CB 4.12Å; I53-V91 HydrophobicContact CG2-CG1 3.69Å; V79-V91 HydrophobicContact CG1-CG2 4.31Å; V79-V91 WeakPolarHBondContact O-CA 3.34Å; F80-V91 HydrophobicContact CD1-CB 4.21Å; F80-V91 HydrophobicContact CD1-CG2 4.35Å; F80-V91 HydrophobicContact CE1-CB 4.14Å; F80-V91 HydrophobicContact CE1-CG2 4.03Å; V91-K93 VanDerWaalsContact CG2-O 3.28Å; V91-K93 WeakPolarHBondContact CG2-O 3.43Å; V91-L95 HydrophobicContact CG2-CD1 4.12Å; V91-L95 HydrophobicContact CG2-CD2 4.09Å; V91-L95 HydrophobicContact CG2-CG 4.08Å
92T89.6Confident91.6Very high44 Ų4447.4 Ų47.427%0.2725%0.247SC..  trans-108.3-6.8-168.654.20000114.6P50 S78 V79 V81P50-T92 HydrophobicContact CB-CG2 4.26Å; S78-T92 PolarHBondContact O-OG1 3.48Å; V79-T92 PolarHBondContact O-N 3.16Å; V79-T92 PolarHBondContact O-OG1 3.29Å; V81-T92 HydrophobicContact CB-CG2 4.22Å; V81-T92 HydrophobicContact CG1-CG2 3.75Å; V81-T92 HydrophobicContact CG2-CG2 3.5Å
93K88.6Confident91.6Very high88 Ų8846.5 Ų46.538%0.38324%0.241SC..SBendtrans-147.5158175.962.8168-162.9161.50109.9E49 V79 V91 L95E49-K93 VanDerWaalsContact OE1-C 3.25Å; E49-K93 WeakPolarHBondContact OE1-CA 3.35Å; V79-K93 HydrophobicContact CG1-CG 4.43Å; V91-K93 VanDerWaalsContact CG2-O 3.28Å; V91-K93 WeakPolarHBondContact CG2-O 3.43Å; K93-L95 HydrophobicContact CG-CD2 4.35Å
94A89.6Confident91.6Very high41 Ų4150.1 Ų50.134%0.33925%0.251SS..  trans-55.5142.3164.100000111.1E49E49-A94 PolarHBondContact OE1-N 3.44Å
95L92.1Very high91.7Very high5 Ų549.4 Ų49.43%0.02624%0.243CC..  trans-111.1152.6176.1-52.4-176.3000108.6V41 E43 E44 V79 F80 V91 K93 Y103 V128V41-L95 HydrophobicContact CB-CD1 4.25Å; V41-L95 HydrophobicContact CG1-CD1 3.93Å; E43-L95 CarbonylContact C-O 3.59Å; E43-L95 VanDerWaalsContact CA-O 3.31Å; E43-L95 WeakPolarHBondContact CA-O 3.48Å; E43-L95 VanDerWaalsContact CB-O 3.3Å; E43-L95 WeakPolarHBondContact CB-O 3.37Å; E44-L95 PolarHBondContact N-O 2.84Å; V79-L95 HydrophobicContact CG1-CD2 3.36Å; F80-L95 HydrophobicContact CE1-CD1 4.39Å; F80-L95 HydrophobicContact CZ-CD1 4.07Å; V91-L95 HydrophobicContact CG2-CD1 4.12Å; V91-L95 HydrophobicContact CG2-CD2 4.09Å; V91-L95 HydrophobicContact CG2-CG 4.08Å; K93-L95 HydrophobicContact CG-CD2 4.35Å; L95-Y103 HydrophobicContact CD1-CE2 4.28Å; L95-V128 HydrophobicContact CB-CG1 4.25Å; L95-V128 HydrophobicContact CB-CG2 4.37Å; L95-V128 HydrophobicContact CD1-CG2 3.9Å
96D91.9Very high91.9Very high53 Ų5346.5 Ų46.528%0.28323%0.228SC..  trans-123.7123.7174.9167.6-12.6000106.1E98 E99 K100D96-E98 WeakPolarHBondContact OD1-CA 3.38Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 3.35Å; D96-E99 HydrophobicContact CB-CB 4.07Å; D96-E99 PolarHBondContact OD1-N 3.37Å; D96-K100 PolarHBondContact O-N 2.89Å
97R92.9Very high91.9Very high36 Ų3644.8 Ų44.814%0.13622%0.219CC..THydrogen-bonded Turntrans-74.1-35.3-177.5-170.1-154.864.974.5-1.3111E43 E99 K100 D101 V128 D130 A165 D166E43-R97 WeakPolarHBondContact OE2-CB 3.34Å; E43-R97 PolarHBondContact OE2-N 2.79Å; R97-E99 PolarHBondContact O-N 2.97Å; R97-K100 CarbonylContact O-C 3.59Å; R97-K100 PolarHBondContact O-N 3.14Å; R97-D101 HydrophobicContact CG-CB 3.98Å; R97-D101 PolarHBondContact O-N 2.73Å; R97-V128 HydrophobicContact CB-CB 4.3Å; R97-V128 HydrophobicContact CB-CG1 3.87Å; R97-V128 HydrophobicContact CG-CB 4.26Å; R97-V128 HydrophobicContact CG-CG1 4.34Å; R97-D130 IonicContact CZ-OD1 2.81Å; R97-D130 IonicContact NE-OD1 3.87Å; R97-D130 PolarHBondContact NE-OD1 2.7Å; R97-D130 IonicContact NH2-OD1 3.76Å; R97-A165 PolarHBondContact NH2-O 2.83Å; R97-D166 VanDerWaalsContact NH2-CA 3.34Å
98E92.5Very high92Very high61 Ų6146 Ų4629%0.28523%0.226SC..THydrogen-bonded Turntrans-64.9-30.6175.3-70.669-114.400111.2D96 N134 A165D96-E98 WeakPolarHBondContact OD1-CA 3.38Å; D96-E98 WeakPolarHBondContact OD1-CB 3.47Å; D96-E98 PolarHBondContact OD1-N 3.35Å; E98-N134 PolarHBondContact OE2-ND2 3.12Å; E98-A165 HydrophobicContact CG-CB 3.89Å
99E92.4Very high92Very high148 Ų14844.6 Ų44.669%0.69222%0.22SC*.THydrogen-bonded Turntrans-73.3-50.7169-169.2-173.6-179.900111.7D96 R97D96-E99 HydrophobicContact CB-CB 4.07Å; D96-E99 PolarHBondContact OD1-N 3.37Å; R97-E99 PolarHBondContact O-N 2.97Å
100K92.7Very high92Very high67 Ų6745.7 Ų45.729%0.29123%0.226SC..  trans-157.3117.3-179.7-174.6160177.4162.20113.6E74 D96 R97 E102 Y103 V128E74-K100 IonicContact OE1-NZ 2.75Å; E74-K100 WeakPolarHBondContact OE2-CE 3.28Å; E74-K100 IonicContact OE2-NZ 3.07Å; E74-K100 PolarHBondContact OE2-NZ 2.82Å; D96-K100 PolarHBondContact O-N 2.89Å; R97-K100 CarbonylContact O-C 3.59Å; R97-K100 PolarHBondContact O-N 3.14Å; K100-E102 WeakPolarHBondContact CE-O 2.96Å; K100-Y103 HydrophobicContact CD-CD1 4.31Å; K100-Y103 HydrophobicContact CD-CE1 3.79Å; K100-Y103 HydrophobicContact CD-CE2 4.36Å; K100-Y103 HydrophobicContact CG-CE1 4.43Å; K100-Y103 HydrophobicContact CG-CE2 4.11Å; K100-V128 WeakPolarHBondContact O-CG2 3.14Å
101D91.3Very high92Very high81 Ų8145 Ų4543%0.43322%0.224SC..SBendtrans-86.5-26-17267.7-22000115.5R97 V128R97-D101 HydrophobicContact CG-CB 3.98Å; R97-D101 PolarHBondContact O-N 2.73Å; D101-V128 PolarHBondContact O-N 2.87Å
102E93.4Very high91.7Very high36 Ų3650 Ų5017%0.16824%0.242CC..EExtended strand (participates in β ladder)trans-144.4149.4177.665.2172.1-136.500114.8K100 R104 I125 I126 R127K100-E102 WeakPolarHBondContact CE-O 2.96Å; E102-R104 IonicContact OE1-CZ 2.76Å; E102-R104 IonicContact OE1-NE 3.96Å; E102-R104 PolarHBondContact OE1-NE 2.8Å; E102-R104 IonicContact OE1-NH2 3.47Å; E102-R104 PolarHBondContact OE1-NH2 2.83Å; E102-R104 IonicContact OE2-NH2 2.95Å; E102-I125 HydrophobicContact CB-CG2 3.83Å; E102-I126 WeakPolarHBondContact CA-O 3.43Å; E102-R127 IonicContact OE2-CZ 2.73Å; E102-R127 IonicContact OE2-NH1 3.22Å; E102-R127 PolarHBondContact OE2-NH1 3.38Å; E102-R127 IonicContact OE2-NH2 3.91Å; E102-R127 PolarHBondContact OE2-NH2 3.39Å
103Y93.8Very high91.5Very high17 Ų1754.4 Ų54.47%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-123.4128.6173.7-64.9-99.1000110.3E74 F80 L95 K100 I125 I126 V128E74-Y103 HydrophobicContact CB-CD1 4.2Å; F80-Y103 AromaticContact CE2-CD1 3.69Å; F80-Y103 HydrophobicContact CE2-CD1 3.69Å; F80-Y103 AromaticContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CD2 3.83Å; F80-Y103 HydrophobicContact CE2-CE1 4.16Å; F80-Y103 HydrophobicContact CE2-CE2 4.32Å; F80-Y103 AromaticContact CE2-CG 3.49Å; F80-Y103 HydrophobicContact CE2-CG 3.49Å; F80-Y103 VanDerWaalsContact CE2-CG 3.49Å; F80-Y103 AromaticContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CD2 3.87Å; F80-Y103 HydrophobicContact CZ-CE2 4.29Å; F80-Y103 HydrophobicContact CZ-CG 4.02Å; L95-Y103 HydrophobicContact CD1-CE2 4.28Å; K100-Y103 HydrophobicContact CD-CD1 4.31Å; K100-Y103 HydrophobicContact CD-CE1 3.79Å; K100-Y103 HydrophobicContact CD-CE2 4.36Å; K100-Y103 HydrophobicContact CG-CE1 4.43Å; K100-Y103 HydrophobicContact CG-CE2 4.11Å; Y103-I125 CarbonylContact O-C 3.49Å; Y103-I125 WeakPolarHBondContact O-CA 3.01Å; Y103-I126 PolarHBondContact N-O 2.74Å; Y103-I126 PolarHBondContact O-N 2.99Å; Y103-V128 HydrophobicContact CD2-CG2 4.36Å; Y103-V128 HydrophobicContact CE2-CG2 4.03Å
104R93.5Very high91.4Very high134 Ų13454.1 Ų54.151%0.50627%0.265SS..EExtended strand (participates in β ladder)trans-99.3121.3179-68.4173.8179.3-96.9-3.5110.2E74 E102 I125E74-R104 PolarHBondContact N-O 2.84Å; E102-R104 IonicContact OE1-CZ 2.76Å; E102-R104 IonicContact OE1-NE 3.96Å; E102-R104 PolarHBondContact OE1-NE 2.8Å; E102-R104 IonicContact OE1-NH2 3.47Å; E102-R104 PolarHBondContact OE1-NH2 2.83Å; E102-R104 IonicContact OE2-NH2 2.95Å; R104-I125 HydrophobicContact CG-CG1 4.28Å
105L92.5Very high91.1Very high2 Ų254.7 Ų54.71%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-129.4152.6-173.3-66.1-179.7000111.5E72 E74 V76 F80 E123 F124 I126E72-L105 WeakPolarHBondContact O-CA 3.44Å; E74-L105 WeakPolarHBondContact O-CD2 3.34Å; V76-L105 HydrophobicContact CG2-CD2 3.35Å; F80-L105 HydrophobicContact CD2-CD1 4.19Å; F80-L105 HydrophobicContact CG-CD1 4.41Å; L105-E123 CarbonylContact O-C 3.53Å; L105-E123 WeakPolarHBondContact O-CA 3.21Å; L105-F124 HydrophobicContact CB-CD1 4.27Å; L105-F124 HydrophobicContact CB-CD2 4.45Å; L105-F124 HydrophobicContact CB-CE1 3.72Å; L105-F124 HydrophobicContact CB-CE2 3.97Å; L105-F124 HydrophobicContact CB-CZ 3.57Å; L105-F124 HydrophobicContact CD1-CE2 3.86Å; L105-F124 HydrophobicContact CD1-CZ 3.72Å; L105-F124 HydrophobicContact CG-CE2 4.49Å; L105-F124 HydrophobicContact CG-CZ 4.3Å; L105-F124 PolarHBondContact N-O 2.98Å; L105-F124 PolarHBondContact O-N 2.91Å; L105-F124 VanDerWaalsContact O-O 3.11Å; L105-I126 HydrophobicContact CD1-CD1 3.35Å; L105-I126 HydrophobicContact CD1-CG1 3.92Å
106T92.7Very high91Very high35 Ų3563.4 Ų63.422%0.21531%0.308CS..EExtended strand (participates in β ladder)trans-118.2122.8173.9-51.80000109.5E72 S122E72-T106 PolarHBondContact N-O 3.02Å; E72-T106 PolarHBondContact O-N 3.38Å; T106-S122 CarbonylContact C-O 3.47Å; T106-S122 WeakPolarHBondContact CA-O 3.22Å
107A91.5Very high90.8Very high6 Ų664.5 Ų64.55%0.0532%0.324CS..EExtended strand (participates in β ladder)trans-91.6136.4174.500000111L56 L71 S121 S122 F124L56-A107 HydrophobicContact CD1-CB 3.49Å; L56-A107 VanDerWaalsContact CD1-CB 3.49Å; L56-A107 HydrophobicContact CD2-CB 4.16Å; L56-A107 HydrophobicContact CG-CB 4.49Å; L71-A107 HydrophobicContact CD2-CB 4.32Å; A107-S121 WeakPolarHBondContact O-CA 3.17Å; A107-S122 PolarHBondContact N-O 2.74Å; A107-S122 PolarHBondContact O-N 3Å; A107-F124 HydrophobicContact CB-CD1 4.08Å; A107-F124 HydrophobicContact CB-CE1 3.8Å
108T92.2Very high90.6Very high27 Ų2764.5 Ų64.517%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-131.1147.7168.760.70000111.3M70M70-T108 WeakPolarHBondContact CE-OG1 3.38Å; M70-T108 PolarHBondContact N-O 2.91Å; M70-T108 PolarHBondContact O-N 2.82Å
109A92.8Very high90.3Very high8 Ų863 Ų637%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-126.1121.8173.200000108.8T58 K68 Y69 L118T58-A109 HydrophobicContact CG2-CB 4.17Å; K68-A109 WeakPolarHBondContact O-CA 3.4Å; Y69-A109 HydrophobicContact CD1-CB 4.11Å; Y69-A109 HydrophobicContact CE1-CB 4.16Å; A109-L118 PolarHBondContact O-N 3.02Å
110T92.7Very high90.1Very high22 Ų2260 Ų6014%0.13531%0.313CS..EExtended strand (participates in β ladder)trans-124.5153-177.457.80000111.6K68 M70 R116K68-T110 PolarHBondContact N-O 3.42Å; K68-T110 PolarHBondContact O-N 2.93Å; M70-T110 HydrophobicContact CE-CG2 4.02Å; T110-R116 CarbonylContact C-O 3.57Å; T110-R116 VanDerWaalsContact CA-O 3.29Å; T110-R116 WeakPolarHBondContact CA-O 3.38Å
111D90.9Very high89.9Confident26 Ų2660.7 Ų60.714%0.13933%0.327CS..EExtended strand (participates in β ladder)trans-78.2127.5169.7179.8-67.6000109.2E113 T114 G115 R116 L118D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.39Å; D111-E113 PolarHBondContact OD1-N 2.95Å; D111-T114 WeakPolarHBondContact CB-OG1 3.3Å; D111-T114 PolarHBondContact OD1-N 3.12Å; D111-T114 PolarHBondContact OD1-OG1 2.9Å; D111-G115 WeakPolarHBondContact O-CA 3.31Å; D111-G115 PolarHBondContact O-N 3.42Å; D111-R116 PolarHBondContact N-O 3.27Å; D111-L118 HydrophobicContact CB-CD1 4.41Å; D111-L118 HydrophobicContact CB-CD2 4Å; D111-L118 HydrophobicContact CB-CG 4.18Å
112R87.2Confident89.7Confident114 Ų11458 Ų5843%0.4331%0.314SS..THydrogen-bonded Turntrans-66.4-30.1-175.9-75.2178.9-175-117.7-8.6114.4G65 R66 T67 K68 G84 N85G65-R112 VanDerWaalsContact O-CD 3.28Å; G65-R112 WeakPolarHBondContact O-CD 3.34Å; G65-R112 PolarHBondContact O-NE 2.88Å; R66-R112 WeakPolarHBondContact O-CB 3.26Å; R66-R112 WeakPolarHBondContact O-CG 3.39Å; R66-R112 PolarHBondContact O-N 3.28Å; T67-R112 PolarHBondContact O-NE 2.88Å; T67-R112 VanDerWaalsContact O-NE 3.08Å; K68-R112 HydrophobicContact CB-CG 3.74Å; G84-R112 VanDerWaalsContact C-NH2 3.32Å; G84-R112 PolarHBondContact O-NH2 2.86Å; N85-R112 PolarHBondContact OD1-NH1 2.77Å; N85-R112 PolarHBondContact OD1-NH2 3.15Å
113E85.3Confident89.5Confident136 Ų13663.5 Ų63.564%0.63634%0.34SS*.THydrogen-bonded Turntrans-82.8-40.7-175.7-176.2175.7-158.800110.5R66 D111R66-E113 IonicContact CZ-OE2 3.28Å; R66-E113 IonicContact NH1-OE2 3.1Å; R66-E113 PolarHBondContact NH1-OE2 2.95Å; R66-E113 IonicContact NH2-OE1 3.1Å; R66-E113 IonicContact NH2-OE2 2.67Å; R66-E113 PolarHBondContact NH2-OE2 3.18Å; D111-E113 VanDerWaalsContact C-N 3.32Å; D111-E113 PolarHBondContact O-N 2.91Å; D111-E113 WeakPolarHBondContact OD1-CA 3.42Å; D111-E113 WeakPolarHBondContact OD1-CB 3.39Å; D111-E113 PolarHBondContact OD1-N 2.95Å
114T85.6Confident89.3Confident81 Ų8163.1 Ų63.150%0.49734%0.339SS..THydrogen-bonded Turntrans-103.5-14.3-173.6640000114.1D111 R116D111-T114 WeakPolarHBondContact CB-OG1 3.3Å; D111-T114 PolarHBondContact OD1-N 3.12Å; D111-T114 PolarHBondContact OD1-OG1 2.9Å; T114-R116 PolarHBondContact O-N 3.26Å; T114-R116 VanDerWaalsContact O-N 3.15Å; T114-R116 PolarHBondContact OG1-N 3.13Å
115G84.2Confident89.2Confident54 Ų5457.9 Ų57.956%0.55732%0.32SS*.  trans66.74.5-173.100000114.1D111D111-G115 WeakPolarHBondContact O-CA 3.31Å; D111-G115 PolarHBondContact O-N 3.42Å
116R88.8Confident89.2Confident187 Ų18757.8 Ų57.871%0.70632%0.32SS*.  trans-74139.5-177-70.4-176.2176.8-169.20.2110.6T110 D111 T114 L118T110-R116 CarbonylContact C-O 3.57Å; T110-R116 VanDerWaalsContact CA-O 3.29Å; T110-R116 WeakPolarHBondContact CA-O 3.38Å; D111-R116 PolarHBondContact N-O 3.27Å; T114-R116 PolarHBondContact O-N 3.26Å; T114-R116 VanDerWaalsContact O-N 3.15Å; T114-R116 PolarHBondContact OG1-N 3.13Å; R116-L118 PolarHBondContact O-N 2.98Å
117A88.4Confident89.1Confident76 Ų7660 Ų6063%0.62832%0.324SS*.BIsolated β-bridgetrans-61.4122169.600000109.7
118L88Confident89.2Confident36 Ų3660.3 Ų60.319%0.18833%0.325CS..SBendtrans-78.2-33.3175.1-68.8171.1000110.5M60 T67 A109 D111 R116M60-L118 HydrophobicContact CB-CB 4.44Å; T67-L118 HydrophobicContact CG2-CD1 3.93Å; A109-L118 PolarHBondContact O-N 3.02Å; D111-L118 HydrophobicContact CB-CD1 4.41Å; D111-L118 HydrophobicContact CB-CD2 4Å; D111-L118 HydrophobicContact CB-CG 4.18Å; R116-L118 PolarHBondContact O-N 2.98Å
119E86.8Confident89Confident30 Ų3061 Ų6114%0.1433%0.327CS..SBendtrans-134.1158.5176.3-69.2-59.4161.300111T58T58-E119 WeakPolarHBondContact OG1-CG 3.36Å
120P87Confident88.7Confident84 Ų8461 Ų6155%0.54533%0.325SS..  trans-57.6149.2167.6-16.529.3000111S122P120-S122 PolarHBondContact O-N 3.25Å
121S88.4Confident88.4Confident83 Ų8363 Ų6358%0.5834%0.335SS*.  trans-58.1137.116953.70000110.3A107A107-S121 WeakPolarHBondContact O-CA 3.17Å
122S87.1Confident88.3Confident24 Ų2463.2 Ų63.217%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-122.4126.1179.3-169.60000110.4T106 A107 P120T106-S122 CarbonylContact C-O 3.47Å; T106-S122 WeakPolarHBondContact CA-O 3.22Å; A107-S122 PolarHBondContact N-O 2.74Å; A107-S122 PolarHBondContact O-N 3Å; P120-S122 PolarHBondContact O-N 3.25Å
123E90.3Very high88.2Confident151 Ų15161 Ų6171%0.70633%0.333SS*.EExtended strand (participates in β ladder)trans-80.7140.9170.2-68.4-178.6-17900110.8L105L105-E123 CarbonylContact O-C 3.53Å; L105-E123 WeakPolarHBondContact O-CA 3.21Å
124F89.7Confident88.4Confident10 Ų1056.8 Ų56.84%0.04431%0.314CS..EExtended strand (participates in β ladder)trans-147.9161.3172.569.9-85000109.9N37 F39 L71 I89 L105 A107 I126N37-F124 WeakPolarHBondContact O-CA 3.43Å; N37-F124 WeakPolarHBondContact O-CB 3.47Å; F39-F124 AromaticContact CD2-CD2 3.42Å; F39-F124 HydrophobicContact CD2-CD2 3.42Å; F39-F124 VanDerWaalsContact CD2-CD2 3.42Å; F39-F124 AromaticContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CE2 3.49Å; F39-F124 VanDerWaalsContact CD2-CE2 3.49Å; F39-F124 HydrophobicContact CD2-CG 4.38Å; F39-F124 AromaticContact CE2-CD2 3.66Å; F39-F124 HydrophobicContact CE2-CD2 3.66Å; F39-F124 AromaticContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CE2 3.69Å; F39-F124 HydrophobicContact CE2-CG 4.25Å; F39-F124 HydrophobicContact CE2-CZ 4.36Å; L71-F124 HydrophobicContact CD2-CE1 3.62Å; L71-F124 HydrophobicContact CD2-CZ 3.58Å; I89-F124 HydrophobicContact CD1-CE2 4.31Å; I89-F124 HydrophobicContact CD1-CZ 3.96Å; L105-F124 HydrophobicContact CB-CD1 4.27Å; L105-F124 HydrophobicContact CB-CD2 4.45Å; L105-F124 HydrophobicContact CB-CE1 3.72Å; L105-F124 HydrophobicContact CB-CE2 3.97Å; L105-F124 HydrophobicContact CB-CZ 3.57Å; L105-F124 HydrophobicContact CD1-CE2 3.86Å; L105-F124 HydrophobicContact CD1-CZ 3.72Å; L105-F124 HydrophobicContact CG-CE2 4.49Å; L105-F124 HydrophobicContact CG-CZ 4.3Å; L105-F124 PolarHBondContact N-O 2.98Å; L105-F124 PolarHBondContact O-N 2.91Å; L105-F124 VanDerWaalsContact O-O 3.11Å; A107-F124 HydrophobicContact CB-CD1 4.08Å; A107-F124 HydrophobicContact CB-CE1 3.8Å; F124-I126 HydrophobicContact CD2-CG1 4.24Å; F124-I126 HydrophobicContact CE2-CD1 4.1Å; F124-I126 HydrophobicContact CE2-CG1 3.75Å
125I91.8Very high88.7Confident24 Ų2456 Ų5612%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-112.9137.1-179-56.6178.3000108.7N37 Q38 F39 E102 Y103 R104 R127N37-I125 PolarHBondContact O-N 2.85Å; Q38-I125 CarbonylContact C-O 3.59Å; Q38-I125 WeakPolarHBondContact CA-O 3.33Å; Q38-I125 HydrophobicContact CG-CB 4.44Å; F39-I125 PolarHBondContact N-O 2.79Å; E102-I125 HydrophobicContact CB-CG2 3.83Å; Y103-I125 CarbonylContact O-C 3.49Å; Y103-I125 WeakPolarHBondContact O-CA 3.01Å; R104-I125 HydrophobicContact CG-CG1 4.28Å; I125-R127 HydrophobicContact CG2-CG 3.99Å
126I91.8Very high89.2Confident0 Ų053.6 Ų53.60%029%0.285CS..EExtended strand (participates in β ladder)trans-99.1114.1162.7-55.7-178.5000106.7F39 V41 I53 F80 E102 Y103 L105 F124F39-I126 HydrophobicContact CB-CG1 4.32Å; F39-I126 WeakPolarHBondContact O-CA 3.48Å; V41-I126 HydrophobicContact CB-CG2 4.4Å; V41-I126 HydrophobicContact CG2-CG2 3.57Å; I53-I126 HydrophobicContact CD1-CD1 3.66Å; I53-I126 HydrophobicContact CD1-CG2 4.37Å; F80-I126 HydrophobicContact CD1-CD1 3.59Å; F80-I126 HydrophobicContact CD2-CD1 4.12Å; F80-I126 HydrophobicContact CE1-CD1 3.49Å; F80-I126 VanDerWaalsContact CE1-CD1 3.49Å; F80-I126 HydrophobicContact CE1-CG2 4.02Å; F80-I126 HydrophobicContact CE2-CD1 4.04Å; F80-I126 HydrophobicContact CG-CD1 3.91Å; F80-I126 HydrophobicContact CZ-CB 4.23Å; F80-I126 HydrophobicContact CZ-CD1 3.73Å; F80-I126 HydrophobicContact CZ-CG2 3.95Å; E102-I126 WeakPolarHBondContact CA-O 3.43Å; Y103-I126 PolarHBondContact N-O 2.74Å; Y103-I126 PolarHBondContact O-N 2.99Å; L105-I126 HydrophobicContact CD1-CD1 3.35Å; L105-I126 HydrophobicContact CD1-CG1 3.92Å; F124-I126 HydrophobicContact CD2-CG1 4.24Å; F124-I126 HydrophobicContact CE2-CD1 4.1Å; F124-I126 HydrophobicContact CE2-CG1 3.75Å
127R91.8Very high89.5Confident82 Ų8249.6 Ų49.631%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-92.2132.2174.6-70.6-171.8172.6-73.8-24.3109.6F39 F40 V41 E102 I125F39-R127 PolarHBondContact O-N 2.7Å; F40-R127 WeakPolarHBondContact CA-O 3.18Å; F40-R127 HydrophobicContact CD1-CB 3.82Å; F40-R127 HydrophobicContact CE1-CB 3.9Å; F40-R127 HydrophobicContact CE1-CG 4.42Å; V41-R127 PolarHBondContact N-O 2.97Å; E102-R127 IonicContact OE2-CZ 2.73Å; E102-R127 IonicContact OE2-NH1 3.22Å; E102-R127 PolarHBondContact OE2-NH1 3.38Å; E102-R127 IonicContact OE2-NH2 3.91Å; E102-R127 PolarHBondContact OE2-NH2 3.39Å; I125-R127 HydrophobicContact CG2-CG 3.99Å
128V91.9Very high89.9Confident11 Ų1146.8 Ų46.87%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-80.8126170.4-172.30000107.7V41 E43 L95 R97 K100 D101 Y103V41-V128 CarbonylContact O-C 3.5Å; V41-V128 VanDerWaalsContact O-CA 3.26Å; V41-V128 WeakPolarHBondContact O-CA 3.37Å; E43-V128 HydrophobicContact CB-CG1 3.65Å; L95-V128 HydrophobicContact CB-CG1 4.25Å; L95-V128 HydrophobicContact CB-CG2 4.37Å; L95-V128 HydrophobicContact CD1-CG2 3.9Å; R97-V128 HydrophobicContact CB-CB 4.3Å; R97-V128 HydrophobicContact CB-CG1 3.87Å; R97-V128 HydrophobicContact CG-CB 4.26Å; R97-V128 HydrophobicContact CG-CG1 4.34Å; K100-V128 WeakPolarHBondContact O-CG2 3.14Å; D101-V128 PolarHBondContact O-N 2.87Å; Y103-V128 HydrophobicContact CD2-CG2 4.36Å; Y103-V128 HydrophobicContact CE2-CG2 4.03Å
129Q88.8Confident90.2Very high42 Ų4248.6 Ų48.620%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-89.9130.9177.2-73.2-175.5-21.200109.5F40 V41 I42 E43 Y170F40-Q129 HydrophobicContact CB-CG 3.98Å; F40-Q129 HydrophobicContact CD1-CG 3.77Å; F40-Q129 HydrophobicContact CG-CG 4.26Å; V41-Q129 PolarHBondContact O-N 3.08Å; I42-Q129 HydrophobicContact CG1-CB 4.32Å; E43-Q129 PolarHBondContact N-O 3.42Å; Q129-Y170 HydrophobicContact CG-CE2 4.36Å; Q129-Y170 PolarHBondContact OE1-OH 3.48Å
130D87.3Confident90.5Very high7 Ų751.7 Ų51.74%0.03728%0.282CS..PPolyproline II helixtrans-64140.6-178.5-172.183.4000113.2E43 R97 D167 Y170 S173E43-D130 WeakPolarHBondContact OE1-CA 3.37Å; R97-D130 IonicContact CZ-OD1 2.81Å; R97-D130 IonicContact NE-OD1 3.87Å; R97-D130 PolarHBondContact NE-OD1 2.7Å; R97-D130 IonicContact NH2-OD1 3.76Å; D130-D167 HydrophobicContact CB-CB 3.8Å; D130-D167 PolarHBondContact OD1-N 3Å; D130-Y170 HydrophobicContact CB-CD1 3.91Å; D130-Y170 HydrophobicContact CB-CG 4.26Å; D130-Y170 WeakPolarHBondContact O-CD1 3.46Å; D130-Y170 WeakPolarHBondContact O-CE1 3.17Å; D130-S173 WeakPolarHBondContact OD2-CB 3.46Å; D130-S173 PolarHBondContact OD2-OG 2.93Å
131I86.4Confident90.7Very high66 Ų6652.7 Ų52.734%0.33828%0.28SS..  trans-118.8139.4163.5-68-177.9000107.1I42 E43 D133I42-I131 HydrophobicContact CG2-CD1 3.56Å; I42-I131 HydrophobicContact CG2-CG1 3.71Å; E43-I131 HydrophobicContact CG-CB 3.94Å; E43-I131 HydrophobicContact CG-CD1 4.21Å; E43-I131 HydrophobicContact CG-CG1 3.95Å; E43-I131 WeakPolarHBondContact O-CD1 3.28Å; E43-I131 PolarHBondContact OE1-N 3.45Å; I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 HydrophobicContact CG2-CB 4.38Å; I131-D133 PolarHBondContact O-N 3.38Å
132N87.1Confident91Very high30 Ų3054.2 Ų54.216%0.1629%0.287CS..SBendtrans-72.379.7177.1-166.9106.8000112.2D166 S173 D219 G221 L227N132-D166 WeakPolarHBondContact CA-OD2 3.41Å; N132-S173 WeakPolarHBondContact OD1-CA 3.48Å; N132-S173 VanDerWaalsContact OD1-CB 3.3Å; N132-S173 WeakPolarHBondContact OD1-CB 3.23Å; N132-S173 PolarHBondContact OD1-O 2.95Å; N132-S173 VanDerWaalsContact OD1-O 3.09Å; N132-D219 PolarHBondContact ND2-OD1 3.27Å; N132-D219 PolarHBondContact ND2-OD2 3.29Å; N132-D219 PolarHBondContact OD1-OD1 3.48Å; N132-D219 PolarHBondContact OD1-OD2 2.65Å; N132-G221 WeakPolarHBondContact OD1-CA 3.14Å; N132-L227 WeakPolarHBondContact ND2-CD1 3.48Å; N132-L227 WeakPolarHBondContact ND2-CG 3.35Å
133D86.6Confident91.5Very high67 Ų6753.8 Ų53.836%0.35828%0.282SS..  trans-117.9-8.4-176.375.3-20.2000114.5I131 D166I131-D133 VanDerWaalsContact C-N 3.31Å; I131-D133 HydrophobicContact CG2-CB 4.38Å; I131-D133 PolarHBondContact O-N 3.38Å; D133-D166 PolarHBondContact N-OD2 3.48Å
134N88.9Confident91.8Very high47 Ų4750.8 Ų50.825%0.25127%0.274SS..SBendtrans-98.6121.7171.5-64.1-81.6000111.1E98 A165 D166E98-N134 PolarHBondContact OE2-ND2 3.12Å; N134-A165 HydrophobicContact CB-CB 3.85Å; N134-D166 VanDerWaalsContact CB-OD1 3.23Å; N134-D166 WeakPolarHBondContact CB-OD1 3.36Å; N134-D166 PolarHBondContact N-OD1 3.1Å; N134-D166 PolarHBondContact N-OD2 2.79Å; N134-D166 PolarHBondContact ND2-OD1 2.83Å
135P91.4Very high92.1Very high66 Ų6650.8 Ų50.843%0.42928%0.276SS..PPolyproline II helixtrans-75.1152.2173.830.2-33.7000111.3I137 L227P135-I137 PolarHBondContact O-N 2.83Å; P135-L227 HydrophobicContact CB-CB 4.04Å; P135-L227 HydrophobicContact CB-CD1 4.35Å
136P94.1Very high92.4Very high3 Ų354 Ų542%0.01930%0.296CS..PPolyproline II helixtrans-57.9137.7172.6-21.429.2000111.7A162 T163 D164 L176 A217 D219 G229P136-A162 HydrophobicContact CB-CB 4.46Å; P136-T163 WeakPolarHBondContact CA-O 3.33Å; P136-D164 WeakPolarHBondContact CD-OD2 3.37Å; P136-D164 WeakPolarHBondContact CG-OD2 3.43Å; P136-L176 HydrophobicContact CB-CD1 4.37Å; P136-L176 HydrophobicContact CB-CD2 3.72Å; P136-L176 HydrophobicContact CG-CD2 3.43Å; P136-L176 VanDerWaalsContact CG-CD2 3.43Å; P136-A217 HydrophobicContact CB-CB 3.94Å; P136-D219 HydrophobicContact CG-CB 4.18Å; P136-G229 WeakPolarHBondContact O-CA 3.26Å
137I95.2Very high92.6Very high102 Ų10254.1 Ų54.152%0.52330%0.297SS..BIsolated β-bridgetrans-122.3149.4176.863.2169.7000111.6P135 P139 A162 T163P135-I137 PolarHBondContact O-N 2.83Å; I137-P139 WeakPolarHBondContact O-CD 3.37Å; I137-A162 CarbonylContact O-C 3.56Å; I137-A162 WeakPolarHBondContact O-CA 3.49Å; I137-A162 WeakPolarHBondContact O-CB 3.4Å; I137-T163 WeakPolarHBondContact CG1-O 3.3Å; I137-T163 WeakPolarHBondContact CG1-OG1 3.28Å; I137-T163 PolarHBondContact N-O 3.38Å; I137-T163 PolarHBondContact O-N 2.66Å
138F96.7Very high92.7Very high17 Ų1752.8 Ų52.88%0.07530%0.299CS..  trans-105101.7175.8-70.3-92.2000109.9E141 Y143 V160 T161 A162 Y178 A217 T231F138-E141 HydrophobicContact CB-CG 4.03Å; F138-Y143 HydrophobicContact CB-CE2 4.13Å; F138-Y143 HydrophobicContact CD1-CE2 4.02Å; F138-Y143 HydrophobicContact CG-CE2 4.45Å; F138-V160 HydrophobicContact CD1-CB 4.28Å; F138-V160 HydrophobicContact CE1-CB 3.99Å; F138-V160 HydrophobicContact CE1-CG2 3.94Å; F138-T161 WeakPolarHBondContact CD1-O 2.77Å; F138-A162 HydrophobicContact CD1-CB 3.91Å; F138-A162 HydrophobicContact CD2-CB 4.34Å; F138-A162 HydrophobicContact CE1-CB 3.73Å; F138-A162 HydrophobicContact CE2-CB 4.17Å; F138-A162 HydrophobicContact CG-CB 4.23Å; F138-A162 HydrophobicContact CZ-CB 3.88Å; F138-Y178 HydrophobicContact CE1-CD1 4.41Å; F138-Y178 AromaticContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CZ-CD1 4.48Å; F138-Y178 HydrophobicContact CZ-CE1 4.32Å; F138-A217 HydrophobicContact CE1-CB 4.41Å; F138-A217 HydrophobicContact CE2-CB 3.85Å; F138-A217 HydrophobicContact CZ-CB 3.53Å; F138-T231 HydrophobicContact CD1-CG2 3.54Å; F138-T231 HydrophobicContact CD2-CG2 3.95Å; F138-T231 HydrophobicContact CE1-CG2 3.51Å; F138-T231 HydrophobicContact CE2-CG2 3.93Å; F138-T231 HydrophobicContact CG-CG2 3.75Å; F138-T231 HydrophobicContact CZ-CG2 3.7Å
139P94.8Very high92.8Very high75 Ų7552.3 Ų52.349%0.48730%0.296SS..THydrogen-bonded Turntrans-76.5-23.1-174.428.9-35.6000114.3I137 E141 T161 T163I137-P139 WeakPolarHBondContact O-CD 3.37Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.71Å; P139-T161 WeakPolarHBondContact CD-O 3.16Å; P139-T163 HydrophobicContact CG-CG2 4.48Å
140D93.8Very high92.8Very high95 Ų9552.6 Ų52.651%0.50830%0.298SS..THydrogen-bonded Turntrans-93.424.3-172.5-50.2-52.8000113.6Y143D140-Y143 HydrophobicContact CB-CE1 3.76Å; D140-Y143 WeakPolarHBondContact CB-OH 3.14Å
141E91.7Very high93.1Very high105 Ų10552.9 Ų52.949%0.49130%0.301SS..  trans-69.7144.9176.9-69.2-172.1162.800112.3F138 P139 Y143 T231F138-E141 HydrophobicContact CB-CG 4.03Å; P139-E141 VanDerWaalsContact C-N 3.31Å; P139-E141 PolarHBondContact O-N 2.71Å; E141-Y143 HydrophobicContact CG-CD2 4.26Å; E141-Y143 HydrophobicContact CG-CE2 4Å; E141-T231 WeakPolarHBondContact CG-OG1 3.32Å; E141-T231 WeakPolarHBondContact OE1-CA 3.08Å; E141-T231 WeakPolarHBondContact OE1-CB 3.44Å; E141-T231 PolarHBondContact OE1-OG1 3.23Å
142P94.3Very high93.4Very high115 Ų11555.8 Ų55.875%0.74732%0.317SS*.SBendcis-85.8144.10.233.6-34.5000113.6
143Y96.4Very high93.8Very high15 Ų1559.7 Ų59.76%0.05934%0.337CS..EExtended strand (participates in β ladder)trans-87.7116173.5-63.9-77.3000111.4F138 D140 E141 V160 T161 T231 V233 T234F138-Y143 HydrophobicContact CB-CE2 4.13Å; F138-Y143 HydrophobicContact CD1-CE2 4.02Å; F138-Y143 HydrophobicContact CG-CE2 4.45Å; D140-Y143 HydrophobicContact CB-CE1 3.76Å; D140-Y143 WeakPolarHBondContact CB-OH 3.14Å; E141-Y143 HydrophobicContact CG-CD2 4.26Å; E141-Y143 HydrophobicContact CG-CE2 4Å; Y143-V160 HydrophobicContact CD1-CG1 3.97Å; Y143-V160 HydrophobicContact CD2-CG1 3.94Å; Y143-V160 HydrophobicContact CE1-CB 4.28Å; Y143-V160 HydrophobicContact CE1-CG1 4.06Å; Y143-V160 HydrophobicContact CE2-CB 4.28Å; Y143-V160 HydrophobicContact CE2-CG1 4.02Å; Y143-V160 HydrophobicContact CG-CG1 3.92Å; Y143-T161 PolarHBondContact OH-N 2.7Å; Y143-T161 PolarHBondContact OH-O 2.79Å; Y143-T161 VanDerWaalsContact OH-O 3.1Å; Y143-T231 HydrophobicContact CD2-CG2 4.1Å; Y143-T231 WeakPolarHBondContact CD2-OG1 3.44Å; Y143-T231 HydrophobicContact CE2-CG2 4.04Å; Y143-V233 HydrophobicContact CD2-CG2 4.46Å; Y143-V233 HydrophobicContact CG-CG2 4.3Å; Y143-V233 WeakPolarHBondContact O-CA 3.1Å; Y143-T234 PolarHBondContact O-N 3.49Å
144V97.3Very high94.1Very high88 Ų8857.8 Ų57.853%0.53333%0.333SS..EExtended strand (participates in β ladder)trans-126.3129.6172.9-1740000108.9T234V144-T234 WeakPolarHBondContact CA-O 3.31Å
145A96.6Very high94.5Very high9 Ų957.8 Ų57.87%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-137.3155.1-178.800000111.1I157 T158 T234 K236A145-I157 HydrophobicContact CB-CG2 3.59Å; A145-T158 HydrophobicContact CB-CG2 3.98Å; A145-T234 PolarHBondContact N-O 3.18Å; A145-K236 PolarHBondContact O-N 2.94Å
146V96.9Very high94.7Very high91 Ų9157.9 Ų57.955%0.55234%0.337SS*.EExtended strand (participates in β ladder)trans-121.2134.3177.5-175.60000108.6K236V146-K236 CarbonylContact C-O 3.37Å; V146-K236 VanDerWaalsContact CA-O 3.26Å; V146-K236 WeakPolarHBondContact CA-O 3.41Å; V146-K236 HydrophobicContact CG2-CB 4.36Å
147V96.3Very high94.9Very high3 Ų358.8 Ų58.82%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-133.5141.717564.20000108.9E149 A151 T155 I157 T198 V235 K236 L237 S238V147-E149 PolarHBondContact O-N 3.47Å; V147-A151 HydrophobicContact CG2-CB 3.97Å; V147-T155 HydrophobicContact CG2-CG2 4.19Å; V147-I157 HydrophobicContact CB-CG1 4.15Å; V147-I157 HydrophobicContact CG1-CD1 4.49Å; V147-I157 HydrophobicContact CG1-CG1 4.38Å; V147-I157 HydrophobicContact CG2-CG1 4.15Å; V147-T198 HydrophobicContact CG2-CG2 4.18Å; V147-V235 HydrophobicContact CG1-CG1 3.71Å; V147-K236 PolarHBondContact N-O 3.06Å; V147-L237 HydrophobicContact CG1-CD2 3.6Å; V147-L237 CarbonylContact O-C 3.54Å; V147-L237 VanDerWaalsContact O-CA 3.26Å; V147-L237 WeakPolarHBondContact O-CA 3.45Å; V147-S238 PolarHBondContact O-N 3.13Å
148P93.9Very high94.9Very high54 Ų5455.7 Ų55.735%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-56.6140.1171.3-24.134.7000111.3A151 S238 V240P148-A151 WeakPolarHBondContact O-CB 3.13Å; P148-S238 WeakPolarHBondContact CA-OG 3.17Å; P148-V240 HydrophobicContact CB-CG2 4.1Å
149E93.9Very high94.9Very high2 Ų261.8 Ų61.81%0.00935%0.35CS..THydrogen-bonded Turntrans-60.6161.2164.274.7-17112600111.2V147 A151 M203 R205 E206 L237 S238 D239 V240V147-E149 PolarHBondContact O-N 3.47Å; E149-A151 PolarHBondContact O-N 2.81Å; E149-M203 WeakPolarHBondContact CB-O 3.39Å; E149-R205 HydrophobicContact CB-CB 4.28Å; E149-R205 WeakPolarHBondContact OE2-CB 3.48Å; E149-R205 PolarHBondContact OE2-N 2.85Å; E149-E206 VanDerWaalsContact OE2-OE2 3.12Å; E149-L237 HydrophobicContact CB-CB 4.38Å; E149-L237 HydrophobicContact CB-CD1 4.1Å; E149-S238 PolarHBondContact N-O 3.36Å; E149-D239 VanDerWaalsContact OE1-CA 3.31Å; E149-D239 WeakPolarHBondContact OE1-CA 3.38Å; E149-V240 HydrophobicContact CG-CB 3.77Å; E149-V240 HydrophobicContact CG-CG2 3.88Å; E149-V240 PolarHBondContact OE1-N 3.08Å
150M89.9Confident95Very high47 Ų4758.2 Ų58.223%0.23233%0.327CS..THydrogen-bonded Turntrans51.423.8-174.8-54.7-166.578.200114.2N152 P201 M203 D242 F335 K338M150-N152 PolarHBondContact O-N 2.56Å; M150-P201 CarbonylContact C-O 3.57Å; M150-P201 VanDerWaalsContact CA-O 3.28Å; M150-P201 WeakPolarHBondContact CA-O 3.37Å; M150-M203 PolarHBondContact N-O 2.84Å; M150-D242 HydrophobicContact SD-CB 4.11Å; M150-F335 HydrophobicContact CB-CE1 4.04Å; M150-F335 HydrophobicContact CB-CZ 4.17Å; M150-F335 HydrophobicContact CE-CE1 4.17Å; M150-F335 HydrophobicContact CG-CE1 4.36Å; M150-F335 HydrophobicContact SD-CD1 3.99Å; M150-F335 HydrophobicContact SD-CE1 3.44Å; M150-F335 WeakPolarHBondContact SD-CE1 3.13Å; M150-F335 HydrophobicContact SD-CZ 4.31Å; M150-K338 VanDerWaalsContact SD-CE 3.58Å; M150-K338 PolarHBondContact SD-NZ 3.4Å
151A92.4Very high95.1Very high13 Ų1356.3 Ų56.311%0.10732%0.319CS..PPolyproline II helixtrans-64136.9178.900000110.6V147 P148 E149 T155 T198V147-A151 HydrophobicContact CG2-CB 3.97Å; P148-A151 WeakPolarHBondContact O-CB 3.13Å; E149-A151 PolarHBondContact O-N 2.81Å; A151-T155 HydrophobicContact CB-CG2 4.21Å; A151-T198 HydrophobicContact CB-CG2 4.24Å
152N92.6Very high95.3Very high127 Ų12751.7 Ų51.768%0.67930%0.299SS*.PPolyproline II helixtrans-54.6148.7178.2-67.7-35.7000111.5M150 G154 T155 T198M150-N152 PolarHBondContact O-N 2.56Å; N152-G154 PolarHBondContact O-N 2.88Å; N152-T155 WeakPolarHBondContact O-CB 3.3Å; N152-T155 PolarHBondContact O-N 3.22Å; N152-T155 VanDerWaalsContact O-N 3.14Å; N152-T155 PolarHBondContact O-OG1 2.9Å; N152-T198 PolarHBondContact O-OG1 3.11Å
153I95.1Very high95.3Very high113 Ų11349.3 Ų49.358%0.57928%0.282SS*.THydrogen-bonded Turntrans-53.8132.2173.4-58174.7000110P201I153-P201 HydrophobicContact CD1-CG 4.45Å; I153-P201 HydrophobicContact CG1-CB 4.22Å; I153-P201 HydrophobicContact CG1-CG 4.4Å
154G94.7Very high95.1Very high27 Ų2749.9 Ų49.928%0.27829%0.286SS..THydrogen-bonded Turntrans88.54.7179.700000114.5N152 S156 R197 T198N152-G154 PolarHBondContact O-N 2.88Å; G154-S156 PolarHBondContact O-N 3.02Å; G154-R197 PolarHBondContact O-NH1 3.39Å; G154-T198 PolarHBondContact N-O 2.98Å; G154-T198 PolarHBondContact N-OG1 3.12Å
155T95.8Very high94.8Very high47 Ų4748.3 Ų48.329%0.28828%0.282SS..  trans-61.7129.3173.1-60.80000109.5V147 A151 N152 R197 T198V147-T155 HydrophobicContact CG2-CG2 4.19Å; A151-T155 HydrophobicContact CB-CG2 4.21Å; N152-T155 WeakPolarHBondContact O-CB 3.3Å; N152-T155 PolarHBondContact O-N 3.22Å; N152-T155 VanDerWaalsContact O-N 3.14Å; N152-T155 PolarHBondContact O-OG1 2.9Å; T155-R197 CarbonylContact O-C 3.47Å; T155-R197 WeakPolarHBondContact O-CA 3.38Å; T155-R197 WeakPolarHBondContact O-CB 3.39Å; T155-T198 PolarHBondContact N-OG1 2.83Å; T155-T198 VanDerWaalsContact N-OG1 3.13Å; T155-T198 PolarHBondContact O-N 2.83Å
156S96.7Very high94.5Very high68 Ų6848 Ų4848%0.47628%0.28SS..EExtended strand (participates in β ladder)trans-75.4127.2-179.6-173.10000110.4G154 I195G154-S156 PolarHBondContact O-N 3.02Å; S156-I195 WeakPolarHBondContact OG-CG2 3.35Å
157I97Very high93.9Very high21 Ų2145.8 Ų45.811%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-97.9-62.1-178.4-60.5170.3000109.7A145 V147 F187 L196 T198 V235A145-I157 HydrophobicContact CB-CG2 3.59Å; V147-I157 HydrophobicContact CB-CG1 4.15Å; V147-I157 HydrophobicContact CG1-CD1 4.49Å; V147-I157 HydrophobicContact CG1-CG1 4.38Å; V147-I157 HydrophobicContact CG2-CG1 4.15Å; I157-F187 HydrophobicContact CD1-CD1 3.44Å; I157-F187 VanDerWaalsContact CD1-CD1 3.44Å; I157-F187 HydrophobicContact CD1-CE1 3.54Å; I157-L196 HydrophobicContact CD1-CD2 4.35Å; I157-L196 HydrophobicContact CD1-CG 4.27Å; I157-L196 HydrophobicContact CG2-CD2 4.48Å; I157-L196 PolarHBondContact N-O 3.35Å; I157-T198 HydrophobicContact CD1-CG2 3.98Å; I157-T198 HydrophobicContact CG1-CG2 4.25Å; I157-V235 HydrophobicContact CD1-CG1 4.34Å; I157-V235 HydrophobicContact CG2-CG1 4.09Å; I157-V235 HydrophobicContact CG2-CG2 4.18Å
158T97.2Very high93.1Very high37 Ų3749.4 Ų49.423%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-157.5171.1178.9-168.10000110.3A145 L196 V233A145-T158 HydrophobicContact CB-CG2 3.98Å; T158-L196 HydrophobicContact CG2-CB 4.42Å; T158-L196 PolarHBondContact O-N 2.98Å; T158-V233 HydrophobicContact CG2-CG1 3.92Å
159R96.6Very high92.3Very high145 Ų14552.7 Ų52.755%0.54731%0.307SS..EExtended strand (participates in β ladder)trans-115.2125.9170.7-178.2-178.8-62.5-170.10.8108.8T193 G194 I195R159-T193 WeakPolarHBondContact CD-O 3.19Å; R159-T193 WeakPolarHBondContact CG-O 3.13Å; R159-G194 WeakPolarHBondContact CA-O 3.48Å; R159-I195 HydrophobicContact CB-CG1 4.28Å; R159-I195 HydrophobicContact CG-CG1 4.22Å
160V96.6Very high91.3Very high0 Ų057.4 Ų57.40%033%0.326CS..  trans-92146.4165.9-61.90000109.9F138 Y143 Y178 G194 L215 T231 V233F138-V160 HydrophobicContact CD1-CB 4.28Å; F138-V160 HydrophobicContact CE1-CB 3.99Å; F138-V160 HydrophobicContact CE1-CG2 3.94Å; Y143-V160 HydrophobicContact CD1-CG1 3.97Å; Y143-V160 HydrophobicContact CD2-CG1 3.94Å; Y143-V160 HydrophobicContact CE1-CB 4.28Å; Y143-V160 HydrophobicContact CE1-CG1 4.06Å; Y143-V160 HydrophobicContact CE2-CB 4.28Å; Y143-V160 HydrophobicContact CE2-CG1 4.02Å; Y143-V160 HydrophobicContact CG-CG1 3.92Å; V160-Y178 HydrophobicContact CG2-CD1 3.96Å; V160-Y178 HydrophobicContact CG2-CE1 4.04Å; V160-G194 WeakPolarHBondContact CG2-O 3.42Å; V160-G194 PolarHBondContact N-O 3.09Å; V160-L215 HydrophobicContact CB-CD1 4.27Å; V160-L215 HydrophobicContact CG1-CD1 3.63Å; V160-L215 HydrophobicContact CG2-CD1 3.66Å; V160-T231 HydrophobicContact CG1-CG2 4.41Å; V160-V233 HydrophobicContact CG1-CG2 3.58Å
161T96Very high90.3Very high55 Ų5557.1 Ų57.134%0.33734%0.335SS..  trans-127.1123178.8-490000107.7F138 P139 Y143F138-T161 WeakPolarHBondContact CD1-O 2.77Å; P139-T161 WeakPolarHBondContact CD-O 3.16Å; Y143-T161 PolarHBondContact OH-N 2.7Å; Y143-T161 PolarHBondContact OH-O 2.79Å; Y143-T161 VanDerWaalsContact OH-O 3.1Å
162A94.9Very high89.1Confident9 Ų960.1 Ų60.17%0.07435%0.349CS..  trans-108.5152.4167.100000110P136 I137 F138 L176 Y178 A217P136-A162 HydrophobicContact CB-CB 4.46Å; I137-A162 CarbonylContact O-C 3.56Å; I137-A162 WeakPolarHBondContact O-CA 3.49Å; I137-A162 WeakPolarHBondContact O-CB 3.4Å; F138-A162 HydrophobicContact CD1-CB 3.91Å; F138-A162 HydrophobicContact CD2-CB 4.34Å; F138-A162 HydrophobicContact CE1-CB 3.73Å; F138-A162 HydrophobicContact CE2-CB 4.17Å; F138-A162 HydrophobicContact CG-CB 4.23Å; F138-A162 HydrophobicContact CZ-CB 3.88Å; A162-L176 HydrophobicContact CB-CD1 3.64Å; A162-L176 VanDerWaalsContact O-CD1 3.31Å; A162-L176 WeakPolarHBondContact O-CD1 3.43Å; A162-Y178 HydrophobicContact CB-CE1 3.97Å; A162-Y178 PolarHBondContact N-OH 3.49Å; A162-A217 HydrophobicContact CB-CB 3.46Å; A162-A217 VanDerWaalsContact CB-CB 3.46Å
163T93.7Very high88.2Confident65 Ų6554.3 Ų54.340%0.39932%0.318SS..BIsolated β-bridgetrans-126.5142.9175.555.50000109.3P136 I137 P139P136-T163 WeakPolarHBondContact CA-O 3.33Å; I137-T163 WeakPolarHBondContact CG1-O 3.3Å; I137-T163 WeakPolarHBondContact CG1-OG1 3.28Å; I137-T163 PolarHBondContact N-O 3.38Å; I137-T163 PolarHBondContact O-N 2.66Å; P139-T163 HydrophobicContact CG-CG2 4.48Å
164D92.6Very high87.3Confident26 Ų2649.8 Ų49.814%0.13930%0.298CS..  trans-121.2140.5174.7-156.7-56.2000108P136 D166 A174 L176P136-D164 WeakPolarHBondContact CD-OD2 3.37Å; P136-D164 WeakPolarHBondContact CG-OD2 3.43Å; D164-D166 WeakPolarHBondContact OD1-CB 3.5Å; D164-D166 PolarHBondContact OD1-N 2.85Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D164-A174 HydrophobicContact CB-CB 3.78Å; D164-L176 HydrophobicContact CB-CD2 4.09Å
165A91.8Very high86.9Confident55 Ų5554.6 Ų54.646%0.45531%0.308SS..  trans-83.7-21.1-175.700000112.3R97 E98 N134R97-A165 PolarHBondContact NH2-O 2.83Å; E98-A165 HydrophobicContact CG-CB 3.89Å; N134-A165 HydrophobicContact CB-CB 3.85Å
166D89.8Confident86.7Confident4 Ų453.7 Ų53.72%0.02130%0.301CS..SBendtrans-66.5167.9-176.1-62.3-15.5000112.6R97 N132 D133 N134 D164 P168 A174R97-D166 VanDerWaalsContact NH2-CA 3.34Å; N132-D166 WeakPolarHBondContact CA-OD2 3.41Å; D133-D166 PolarHBondContact N-OD2 3.48Å; N134-D166 VanDerWaalsContact CB-OD1 3.23Å; N134-D166 WeakPolarHBondContact CB-OD1 3.36Å; N134-D166 PolarHBondContact N-OD1 3.1Å; N134-D166 PolarHBondContact N-OD2 2.79Å; N134-D166 PolarHBondContact ND2-OD1 2.83Å; D164-D166 WeakPolarHBondContact OD1-CB 3.5Å; D164-D166 PolarHBondContact OD1-N 2.85Å; D164-D166 VanDerWaalsContact OD1-N 3.1Å; D166-P168 WeakPolarHBondContact O-CD 3.48Å; D166-A174 HydrophobicContact CB-CB 4.37Å; D166-A174 WeakPolarHBondContact O-CB 3.07Å
167D85Confident86.5Confident43 Ų4353 Ų5323%0.2329%0.294CS..  trans-74.5119.8179.2-173.9-16.4000111.3D130 T169D130-D167 HydrophobicContact CB-CB 3.8Å; D130-D167 PolarHBondContact OD1-N 3Å; D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 WeakPolarHBondContact OD1-CA 3.13Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 3.32Å; D167-T169 PolarHBondContact OD1-OG1 3.09Å; D167-T169 PolarHBondContact OD2-OG1 3.08Å
168P78.6Confident86.4Confident79 Ų7953 Ų5351%0.51329%0.293SS..THydrogen-bonded Turntrans-70.5-15.7179.828.4-35.4000113.6D166 A174D166-P168 WeakPolarHBondContact O-CD 3.48Å; P168-A174 HydrophobicContact CB-CB 3.95Å
169T78.3Confident86.3Confident123 Ų12352.5 Ų52.576%0.75529%0.294SS*.THydrogen-bonded Turntrans-94.1-22.5-176.271.60000113.3D167D167-T169 PolarHBondContact O-N 3.37Å; D167-T169 WeakPolarHBondContact OD1-CA 3.13Å; D167-T169 WeakPolarHBondContact OD1-CB 3.36Å; D167-T169 PolarHBondContact OD1-N 3.32Å; D167-T169 PolarHBondContact OD1-OG1 3.09Å; D167-T169 PolarHBondContact OD2-OG1 3.08Å
170Y72.9Confident86.3Confident102 Ų10246.8 Ų46.840%0.427%0.274SS..SBendtrans-100.4126.3178.2-161.9-96.4000109.2Q129 D130 N172 S173Q129-Y170 HydrophobicContact CG-CE2 4.36Å; Q129-Y170 PolarHBondContact OE1-OH 3.48Å; D130-Y170 HydrophobicContact CB-CD1 3.91Å; D130-Y170 HydrophobicContact CB-CG 4.26Å; D130-Y170 WeakPolarHBondContact O-CD1 3.46Å; D130-Y170 WeakPolarHBondContact O-CE1 3.17Å; Y170-N172 PolarHBondContact O-N 2.79Å; Y170-S173 PolarHBondContact O-N 2.83Å; Y170-S173 VanDerWaalsContact O-N 3.09Å; Y170-S173 PolarHBondContact O-OG 2.89Å; Y170-S173 VanDerWaalsContact O-OG 3.12Å
171G67.1Low86.2Confident41 Ų4151 Ų5142%0.42330%0.297SS..THydrogen-bonded Turntrans65.6-7.9175.600000117.5S173G171-S173 VanDerWaalsContact C-N 3.26Å
172N68.3Low86.1Confident75 Ų7554.3 Ų54.340%0.40131%0.308SS..THydrogen-bonded Turntrans62.128.2-160.7-50.1-80.9000113.3Y170 A174 R175 M220Y170-N172 PolarHBondContact O-N 2.79Å; N172-A174 VanDerWaalsContact C-N 3.3Å; N172-A174 PolarHBondContact O-N 2.82Å; N172-R175 HydrophobicContact CB-CB 3.97Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-R175 VanDerWaalsContact O-N 3.08Å; N172-M220 HydrophobicContact CB-CB 3.86Å; N172-M220 CarbonylContact O-C 3.46Å; N172-M220 PolarHBondContact O-N 3.04Å
173S72.6Confident85.9Confident5 Ų554.9 Ų54.94%0.03532%0.315CS..THydrogen-bonded Turntrans-60-35.2-175-48.70000113D130 N132 Y170 G171 D219D130-S173 WeakPolarHBondContact OD2-CB 3.46Å; D130-S173 PolarHBondContact OD2-OG 2.93Å; N132-S173 WeakPolarHBondContact OD1-CA 3.48Å; N132-S173 VanDerWaalsContact OD1-CB 3.3Å; N132-S173 WeakPolarHBondContact OD1-CB 3.23Å; N132-S173 PolarHBondContact OD1-O 2.95Å; N132-S173 VanDerWaalsContact OD1-O 3.09Å; Y170-S173 PolarHBondContact O-N 2.83Å; Y170-S173 VanDerWaalsContact O-N 3.09Å; Y170-S173 PolarHBondContact O-OG 2.89Å; Y170-S173 VanDerWaalsContact O-OG 3.12Å; G171-S173 VanDerWaalsContact C-N 3.26Å; S173-D219 WeakPolarHBondContact O-CB 3.46Å
174A78Confident85.6Confident19 Ų1957.9 Ų57.916%0.15733%0.325CS..THydrogen-bonded Turntrans-101.915.1174.600000115.2D164 D166 P168 N172 L176D164-A174 HydrophobicContact CB-CB 3.78Å; D166-A174 HydrophobicContact CB-CB 4.37Å; D166-A174 WeakPolarHBondContact O-CB 3.07Å; P168-A174 HydrophobicContact CB-CB 3.95Å; N172-A174 VanDerWaalsContact C-N 3.3Å; N172-A174 PolarHBondContact O-N 2.82Å; A174-L176 PolarHBondContact O-N 2.9Å
175R85.3Confident85.6Confident127 Ų12762.7 Ų62.748%0.47935%0.35SS..  trans-87.4105177.4-171.2179.1178.7175.2-0.2110.8N172 M220N172-R175 HydrophobicContact CB-CB 3.97Å; N172-R175 PolarHBondContact O-N 3.21Å; N172-R175 VanDerWaalsContact O-N 3.08Å; R175-M220 HydrophobicContact CG-CE 4.24Å; R175-M220 PolarHBondContact O-N 3.41Å
176L90.9Very high85.7Confident29 Ų2962.7 Ų62.715%0.15234%0.342CS..  trans-84141.8-175.3-56.1-177.1000113.8P136 A162 D164 A174 K218 D219P136-L176 HydrophobicContact CB-CD1 4.37Å; P136-L176 HydrophobicContact CB-CD2 3.72Å; P136-L176 HydrophobicContact CG-CD2 3.43Å; P136-L176 VanDerWaalsContact CG-CD2 3.43Å; A162-L176 HydrophobicContact CB-CD1 3.64Å; A162-L176 VanDerWaalsContact O-CD1 3.31Å; A162-L176 WeakPolarHBondContact O-CD1 3.43Å; D164-L176 HydrophobicContact CB-CD2 4.09Å; A174-L176 PolarHBondContact O-N 2.9Å; L176-K218 WeakPolarHBondContact CA-O 3.28Å; L176-D219 HydrophobicContact CD2-CB 4.1Å
177V92.4Very high86Confident52 Ų5262.7 Ų62.732%0.31534%0.342SS..EExtended strand (participates in β ladder)trans-121.5123.9167.7-176.60000108.7P191 K218 M220V177-P191 WeakPolarHBondContact CA-O 3.43Å; V177-P191 HydrophobicContact CG1-CB 3.92Å; V177-K218 PolarHBondContact N-O 2.98Å; V177-K218 PolarHBondContact O-N 2.87Å; V177-M220 HydrophobicContact CG2-CE 3.24Å; V177-M220 HydrophobicContact CG2-CG 4.01Å; V177-M220 HydrophobicContact CG2-SD 4.28Å
178Y95.2Very high86.6Confident23 Ų2363 Ų639%0.0935%0.347CS..EExtended strand (participates in β ladder)trans-86.1142.9176.4-61.1-88.6000111.3F138 V160 A162 P191 Q216 A217F138-Y178 HydrophobicContact CE1-CD1 4.41Å; F138-Y178 AromaticContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CE1-CE1 3.98Å; F138-Y178 HydrophobicContact CZ-CD1 4.48Å; F138-Y178 HydrophobicContact CZ-CE1 4.32Å; V160-Y178 HydrophobicContact CG2-CD1 3.96Å; V160-Y178 HydrophobicContact CG2-CE1 4.04Å; A162-Y178 HydrophobicContact CB-CE1 3.97Å; A162-Y178 PolarHBondContact N-OH 3.49Å; Y178-P191 PolarHBondContact N-O 3.22Å; Y178-P191 WeakPolarHBondContact O-CA 3.45Å; Y178-Q216 CarbonylContact C-O 3.59Å; Y178-Q216 WeakPolarHBondContact CA-O 3.39Å; Y178-A217 HydrophobicContact CD1-CB 4.16Å; Y178-A217 HydrophobicContact CE1-CB 4.06Å
179G95.2Very high87.5Confident25 Ų2560.4 Ų60.426%0.25833%0.33SS..EExtended strand (participates in β ladder)trans-147.3162.3175.100000111.5L215 Q216G179-L215 CarbonylContact O-C 3.6Å; G179-L215 WeakPolarHBondContact O-CA 3.17Å; G179-L215 WeakPolarHBondContact O-CD2 3.35Å; G179-Q216 PolarHBondContact N-O 2.75Å; G179-Q216 PolarHBondContact O-N 2.82Å
180I96.5Very high88.3Confident25 Ų2557 Ų5713%0.12831%0.307CS..EExtended strand (participates in β ladder)trans-101.8126.8173.8-65.4162.9000108.2Q182 Q184 F187 V189 L196 V213 L215I180-Q182 VanDerWaalsContact CG2-C 3.49Å; I180-Q182 WeakPolarHBondContact CG2-O 3.22Å; I180-Q184 HydrophobicContact CB-CB 4.44Å; I180-Q184 HydrophobicContact CG2-CB 4.13Å; I180-F187 HydrophobicContact CD1-CB 4.16Å; I180-F187 VanDerWaalsContact CD1-O 3.24Å; I180-F187 WeakPolarHBondContact CD1-O 3.5Å; I180-V189 HydrophobicContact CD1-CB 4.15Å; I180-V189 HydrophobicContact CD1-CG1 4.19Å; I180-V189 HydrophobicContact CG1-CB 4.06Å; I180-V189 HydrophobicContact CG1-CG1 3.79Å; I180-L196 HydrophobicContact CD1-CD1 4.14Å; I180-V213 HydrophobicContact CG1-CG1 4.38Å; I180-V213 HydrophobicContact CG2-CG1 4.08Å; I180-L215 HydrophobicContact CB-CD2 4.36Å; I180-L215 HydrophobicContact CG1-CD2 3.43Å; I180-L215 VanDerWaalsContact CG1-CD2 3.43Å
181L94.6Very high89.4Confident90 Ų9055.2 Ų55.247%0.47131%0.308SS..EExtended strand (participates in β ladder)trans-90.2-35.4171.8-65.6179.8000111.7V214 Q216 T230L181-V214 HydrophobicContact CB-CB 4.38Å; L181-V214 HydrophobicContact CB-CG1 4.18Å; L181-V214 HydrophobicContact CD1-CG1 4.25Å; L181-V214 PolarHBondContact N-O 2.85Å; L181-Q216 HydrophobicContact CD1-CB 3.89Å; L181-Q216 HydrophobicContact CD2-CB 4.22Å; L181-Q216 HydrophobicContact CG-CB 3.79Å; L181-T230 HydrophobicContact CD1-CG2 3.65Å
182Q94.5Very high90.6Very high123 Ų12360.5 Ų60.558%0.57532%0.322SS*.EExtended strand (participates in β ladder)trans-139.8130.3179.1-174.1178-3.900110.2I180 V213 V214I180-Q182 VanDerWaalsContact CG2-C 3.49Å; I180-Q182 WeakPolarHBondContact CG2-O 3.22Å; Q182-V213 WeakPolarHBondContact O-CG1 3.28Å; Q182-V214 HydrophobicContact CB-CB 3.92Å; Q182-V214 HydrophobicContact CB-CG2 3.99Å; Q182-V214 PolarHBondContact N-O 2.85Å; Q182-V214 PolarHBondContact O-N 3.35Å; Q182-V214 VanDerWaalsContact O-N 3.14Å
183G89.6Confident91.8Very high21 Ų2159.2 Ų59.222%0.21632%0.317CS..  trans104.19-178.500000115.3D185 L186 F187G183-D185 PolarHBondContact O-N 3.35Å; G183-D185 VanDerWaalsContact O-N 3.12Å; G183-L186 PolarHBondContact O-N 3.1Å; G183-L186 VanDerWaalsContact O-N 3.11Å; G183-F187 PolarHBondContact O-N 2.91Å
184Q88.8Confident92.9Very high129 Ų12959 Ų5960%0.60332%0.315SS*.THydrogen-bonded Turntrans-60.3-20.5-17969.5-170.6-0.500114.4I180 L186I180-Q184 HydrophobicContact CB-CB 4.44Å; I180-Q184 HydrophobicContact CG2-CB 4.13Å; Q184-L186 VanDerWaalsContact C-N 3.31Å
185D91.4Very high93.9Very high127 Ų12759 Ų5968%0.67931%0.312SS*.THydrogen-bonded Turntrans-75.2-24.2179.9-55.5-35.4000111.9G183 V200G183-D185 PolarHBondContact O-N 3.35Å; G183-D185 VanDerWaalsContact O-N 3.12Å; D185-V200 VanDerWaalsContact O-CG1 3.27Å; D185-V200 WeakPolarHBondContact O-CG1 3.5Å
186L94.1Very high94.5Very high54 Ų5452.9 Ų52.928%0.28329%0.289SS..THydrogen-bonded Turntrans-114.9-24-175.1-59.6176.1000112.8G183 Q184 A199 V200 Y211G183-L186 PolarHBondContact O-N 3.1Å; G183-L186 VanDerWaalsContact O-N 3.11Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; L186-A199 WeakPolarHBondContact O-CB 3.5Å; L186-A199 PolarHBondContact O-N 2.91Å; L186-V200 HydrophobicContact CB-CG2 4.47Å; L186-V200 HydrophobicContact CD2-CG1 4.5Å; L186-V200 HydrophobicContact CD2-CG2 3.64Å; L186-Y211 HydrophobicContact CD1-CD1 3.56Å; L186-Y211 HydrophobicContact CD1-CE1 3.39Å
187F96.8Very high94.8Very high5 Ų555.7 Ų55.72%0.02230%0.298CS..EExtended strand (participates in β ladder)trans-130.4155.5-174.8-54-78.2000112.4I157 I180 G183 L196 R197 M203 Y211 V213 V235I157-F187 HydrophobicContact CD1-CD1 3.44Å; I157-F187 VanDerWaalsContact CD1-CD1 3.44Å; I157-F187 HydrophobicContact CD1-CE1 3.54Å; I180-F187 HydrophobicContact CD1-CB 4.16Å; I180-F187 VanDerWaalsContact CD1-O 3.24Å; I180-F187 WeakPolarHBondContact CD1-O 3.5Å; G183-F187 PolarHBondContact O-N 2.91Å; F187-L196 HydrophobicContact CB-CD1 3.95Å; F187-R197 CarbonylContact C-O 3.52Å; F187-R197 WeakPolarHBondContact CA-O 3.46Å; F187-M203 HydrophobicContact CE1-CE 3.59Å; F187-M203 HydrophobicContact CE1-SD 3.81Å; F187-M203 HydrophobicContact CE2-CE 4.2Å; F187-M203 HydrophobicContact CZ-CE 3.26Å; F187-M203 HydrophobicContact CZ-SD 4.04Å; F187-Y211 HydrophobicContact CE2-CD1 4.34Å; F187-Y211 HydrophobicContact CE2-CG 4.12Å; F187-Y211 HydrophobicContact CZ-CD2 4.38Å; F187-Y211 AromaticContact CZ-CG 3.99Å; F187-Y211 HydrophobicContact CZ-CG 3.99Å; F187-V213 HydrophobicContact CD2-CG1 4.49Å; F187-V213 HydrophobicContact CD2-CG2 3.3Å; F187-V213 HydrophobicContact CE2-CG2 3.4Å; F187-V213 VanDerWaalsContact CE2-CG2 3.4Å; F187-V213 HydrophobicContact CG-CG2 3.94Å; F187-V213 HydrophobicContact CZ-CG2 4.1Å; F187-V235 HydrophobicContact CE1-CB 4.4Å; F187-V235 HydrophobicContact CE1-CG1 4Å; F187-V235 HydrophobicContact CE1-CG2 4.32Å; F187-V235 HydrophobicContact CZ-CB 4.15Å; F187-V235 HydrophobicContact CZ-CG1 4.1Å; F187-V235 HydrophobicContact CZ-CG2 4.29Å
188S96.7Very high95Very high49 Ų4953.2 Ų53.234%0.34328%0.283SS..EExtended strand (participates in β ladder)trans-128.6147.1172.458.90000109.8L196 R197S188-L196 CarbonylContact O-C 3.45Å; S188-L196 WeakPolarHBondContact O-CA 3.39Å; S188-R197 PolarHBondContact N-O 2.96Å; S188-R197 PolarHBondContact O-N 3.31Å
189V97.6Very high95Very high24 Ų2453.6 Ų53.615%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-119.2137.2174.4690000109.1I180 P191 I195 L196 L215I180-V189 HydrophobicContact CD1-CB 4.15Å; I180-V189 HydrophobicContact CD1-CG1 4.19Å; I180-V189 HydrophobicContact CG1-CB 4.06Å; I180-V189 HydrophobicContact CG1-CG1 3.79Å; V189-P191 WeakPolarHBondContact O-CD 3.31Å; V189-I195 WeakPolarHBondContact CA-O 3.44Å; V189-L196 HydrophobicContact CB-CD1 4.38Å; V189-L215 HydrophobicContact CB-CD2 3.94Å; V189-L215 HydrophobicContact CG1-CD2 4.08Å; V189-L215 HydrophobicContact CG2-CD2 4.04Å
190D96.7Very high94.9Very high51 Ų5153.9 Ų53.927%0.27329%0.287SS..  trans-69.9117.9169.3-179.5-32.3000108.9Q192 T193 G194 I195D190-Q192 PolarHBondContact O-N 2.74Å; D190-Q192 VanDerWaalsContact O-N 3.13Å; D190-Q192 PolarHBondContact OD1-N 2.88Å; D190-T193 WeakPolarHBondContact CB-OG1 3.47Å; D190-T193 PolarHBondContact O-N 2.82Å; D190-T193 PolarHBondContact OD1-N 3.14Å; D190-T193 VanDerWaalsContact OD1-N 3.15Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; D190-G194 PolarHBondContact O-N 2.84Å; D190-I195 HydrophobicContact CB-CB 4.33Å; D190-I195 PolarHBondContact N-O 2.93Å
191P94.8Very high94.5Very high65 Ų6555.7 Ų55.742%0.42230%0.301SS..THydrogen-bonded Turntrans-65.7-17.8-173.626.4-34.9000113.7V177 Y178 V189V177-P191 WeakPolarHBondContact CA-O 3.43Å; V177-P191 HydrophobicContact CG1-CB 3.92Å; Y178-P191 PolarHBondContact N-O 3.22Å; Y178-P191 WeakPolarHBondContact O-CA 3.45Å; V189-P191 WeakPolarHBondContact O-CD 3.31Å
192Q92.4Very high94.1Very high152 Ų15256.8 Ų56.871%0.7131%0.307SS*.THydrogen-bonded Turntrans-101.2-34.2-179.9-62.9-173.8-1100112.6D190D190-Q192 PolarHBondContact O-N 2.74Å; D190-Q192 VanDerWaalsContact O-N 3.13Å; D190-Q192 PolarHBondContact OD1-N 2.88Å
193T94.9Very high94.1Very high48 Ų4851.2 Ų51.229%0.29428%0.281SS..THydrogen-bonded Turntrans-105.2-12.3-171.468.40000114.4R159 D190 I195R159-T193 WeakPolarHBondContact CD-O 3.19Å; R159-T193 WeakPolarHBondContact CG-O 3.13Å; D190-T193 WeakPolarHBondContact CB-OG1 3.47Å; D190-T193 PolarHBondContact O-N 2.82Å; D190-T193 PolarHBondContact OD1-N 3.14Å; D190-T193 VanDerWaalsContact OD1-N 3.15Å; D190-T193 PolarHBondContact OD2-OG1 2.83Å; T193-I195 PolarHBondContact O-N 2.97Å; T193-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T193-I195 VanDerWaalsContact OG1-CG1 3.28Å; T193-I195 WeakPolarHBondContact OG1-CG1 3.42Å
194G95.1Very high94.3Very high0 Ų052 Ų520%028%0.28CS..  trans69.112.6-176.600000113.6R159 V160 D190 L196R159-G194 WeakPolarHBondContact CA-O 3.48Å; V160-G194 WeakPolarHBondContact CG2-O 3.42Å; V160-G194 PolarHBondContact N-O 3.09Å; D190-G194 PolarHBondContact O-N 2.84Å; G194-L196 PolarHBondContact O-N 2.82Å
195I97.8Very high94.6Very high19 Ų1947.3 Ų47.310%0.09726%0.257CS..EExtended strand (participates in β ladder)trans-75.5117.4177.3-61.9170.9000109.1S156 R159 V189 D190 T193 R197S156-I195 WeakPolarHBondContact OG-CG2 3.35Å; R159-I195 HydrophobicContact CB-CG1 4.28Å; R159-I195 HydrophobicContact CG-CG1 4.22Å; V189-I195 WeakPolarHBondContact CA-O 3.44Å; D190-I195 HydrophobicContact CB-CB 4.33Å; D190-I195 PolarHBondContact N-O 2.93Å; T193-I195 PolarHBondContact O-N 2.97Å; T193-I195 WeakPolarHBondContact OG1-CD1 3.44Å; T193-I195 VanDerWaalsContact OG1-CG1 3.28Å; T193-I195 WeakPolarHBondContact OG1-CG1 3.42Å; I195-R197 HydrophobicContact CG2-CG 4.04Å
196L97.6Very high94.8Very high0 Ų043.8 Ų43.80%024%0.237CC..EExtended strand (participates in β ladder)trans-82.1134.3172-170.570.2000110.1I157 T158 I180 F187 S188 V189 G194 V213 L215 V233 V235I157-L196 HydrophobicContact CD1-CD2 4.35Å; I157-L196 HydrophobicContact CD1-CG 4.27Å; I157-L196 HydrophobicContact CG2-CD2 4.48Å; I157-L196 PolarHBondContact N-O 3.35Å; T158-L196 HydrophobicContact CG2-CB 4.42Å; T158-L196 PolarHBondContact O-N 2.98Å; I180-L196 HydrophobicContact CD1-CD1 4.14Å; F187-L196 HydrophobicContact CB-CD1 3.95Å; S188-L196 CarbonylContact O-C 3.45Å; S188-L196 WeakPolarHBondContact O-CA 3.39Å; V189-L196 HydrophobicContact CB-CD1 4.38Å; G194-L196 PolarHBondContact O-N 2.82Å; L196-V213 HydrophobicContact CD1-CG1 4.18Å; L196-V213 HydrophobicContact CD2-CG2 4.46Å; L196-L215 HydrophobicContact CD1-CD1 4.49Å; L196-L215 HydrophobicContact CD1-CD2 4.27Å; L196-V233 HydrophobicContact CD2-CB 4.4Å; L196-V233 HydrophobicContact CD2-CG1 4.11Å; L196-V235 HydrophobicContact CD2-CG2 3.97Å
197R97.6Very high94.8Very high87 Ų8746.9 Ų46.933%0.32826%0.258SS..EExtended strand (participates in β ladder)trans-134.3156.2-178.6-60.6179.1178.7-92.2-1.6111.7G154 T155 F187 S188 I195G154-R197 PolarHBondContact O-NH1 3.39Å; T155-R197 CarbonylContact O-C 3.47Å; T155-R197 WeakPolarHBondContact O-CA 3.38Å; T155-R197 WeakPolarHBondContact O-CB 3.39Å; F187-R197 CarbonylContact C-O 3.52Å; F187-R197 WeakPolarHBondContact CA-O 3.46Å; S188-R197 PolarHBondContact N-O 2.96Å; S188-R197 PolarHBondContact O-N 3.31Å; I195-R197 HydrophobicContact CG2-CG 4.04Å
198T96.9Very high94.7Very high1 Ų151 Ų511%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-65.6137.4168.4550000110.7V147 A151 N152 G154 T155 I157 M203V147-T198 HydrophobicContact CG2-CG2 4.18Å; A151-T198 HydrophobicContact CB-CG2 4.24Å; N152-T198 PolarHBondContact O-OG1 3.11Å; G154-T198 PolarHBondContact N-O 2.98Å; G154-T198 PolarHBondContact N-OG1 3.12Å; T155-T198 PolarHBondContact N-OG1 2.83Å; T155-T198 VanDerWaalsContact N-OG1 3.13Å; T155-T198 PolarHBondContact O-N 2.83Å; I157-T198 HydrophobicContact CD1-CG2 3.98Å; I157-T198 HydrophobicContact CG1-CG2 4.25Å; T198-M203 HydrophobicContact CG2-SD 4.35Å
199A95Very high94.7Very high31 Ų3153 Ų5326%0.25628%0.284SS..SBendtrans-106.1-18.2174.800000112.7L186L186-A199 WeakPolarHBondContact O-CB 3.5Å; L186-A199 PolarHBondContact O-N 2.91Å
200V92.9Very high94.6Very high30 Ų3055.3 Ų55.318%0.18229%0.293CS..  trans-126.3153.1178.6-56.10000111.2D185 L186 D202 M203D185-V200 VanDerWaalsContact O-CG1 3.27Å; D185-V200 WeakPolarHBondContact O-CG1 3.5Å; L186-V200 HydrophobicContact CB-CG2 4.47Å; L186-V200 HydrophobicContact CD2-CG1 4.5Å; L186-V200 HydrophobicContact CD2-CG2 3.64Å; V200-D202 WeakPolarHBondContact CB-OD1 3.48Å; V200-M203 HydrophobicContact CG2-CG 3.72Å
201P87.9Confident94.6Very high63 Ų6354 Ų5441%0.40929%0.285SS..SBendtrans-96.3-3.4-176.238.1-34.3000114.4M150 I153M150-P201 CarbonylContact C-O 3.57Å; M150-P201 VanDerWaalsContact CA-O 3.28Å; M150-P201 WeakPolarHBondContact CA-O 3.37Å; I153-P201 HydrophobicContact CD1-CG 4.45Å; I153-P201 HydrophobicContact CG1-CB 4.22Å; I153-P201 HydrophobicContact CG1-CG 4.4Å
202D87.1Confident94.7Very high113 Ų11355.5 Ų55.560%0.60429%0.289SS*.  trans-116.423.9-167.761-25.6000112.8V200 D204V200-D202 WeakPolarHBondContact CB-OD1 3.48Å; D202-D204 PolarHBondContact O-N 2.85Å
203M93.6Very high94.9Very high7 Ų748.3 Ų48.33%0.03426%0.255CS..  trans-63.3123.9166.8-66.1-176.272.400109.2E149 M150 F187 T198 V200 Y211 L237E149-M203 WeakPolarHBondContact CB-O 3.39Å; M150-M203 PolarHBondContact N-O 2.84Å; F187-M203 HydrophobicContact CE1-CE 3.59Å; F187-M203 HydrophobicContact CE1-SD 3.81Å; F187-M203 HydrophobicContact CE2-CE 4.2Å; F187-M203 HydrophobicContact CZ-CE 3.26Å; F187-M203 HydrophobicContact CZ-SD 4.04Å; T198-M203 HydrophobicContact CG2-SD 4.35Å; V200-M203 HydrophobicContact CG2-CG 3.72Å; M203-Y211 HydrophobicContact CE-CD1 4.32Å; M203-Y211 HydrophobicContact CE-CD2 3.52Å; M203-Y211 HydrophobicContact CE-CE1 4.23Å; M203-Y211 HydrophobicContact CE-CE2 3.43Å; M203-Y211 VanDerWaalsContact CE-CE2 3.43Å; M203-Y211 HydrophobicContact CE-CG 4Å; M203-L237 HydrophobicContact CB-CD1 4.04Å; M203-L237 HydrophobicContact CB-CD2 4.44Å; M203-L237 HydrophobicContact CE-CD2 3.86Å
204D94.4Very high95Very high36 Ų3647.4 Ų47.419%0.19325%0.249CC..  trans-128.8122-166.8-179.177.6000109.3D202 T207 Q208D202-D204 PolarHBondContact O-N 2.85Å; D204-T207 PolarHBondContact O-N 3.27Å; D204-T207 VanDerWaalsContact OD2-CB 3.32Å; D204-T207 WeakPolarHBondContact OD2-CB 3.22Å; D204-T207 PolarHBondContact OD2-N 2.87Å; D204-T207 PolarHBondContact OD2-OG1 3.13Å; D204-Q208 PolarHBondContact O-N 3.15Å; D204-Q208 VanDerWaalsContact O-O 3.08Å
205R96Very high95Very high31 Ų3147.4 Ų47.412%0.11725%0.249CC..THydrogen-bonded Turntrans-72.5-33.7-174.2-170.4-146.963.567.4-2.6111E149 T207 Q208 D209 L237 D239 P274 L276E149-R205 HydrophobicContact CB-CB 4.28Å; E149-R205 WeakPolarHBondContact OE2-CB 3.48Å; E149-R205 PolarHBondContact OE2-N 2.85Å; R205-T207 PolarHBondContact O-N 2.83Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 PolarHBondContact O-N 3.41Å; R205-D209 HydrophobicContact CG-CB 3.82Å; R205-L237 HydrophobicContact CB-CB 4Å; R205-L237 HydrophobicContact CB-CD1 4.33Å; R205-L237 HydrophobicContact CG-CB 4.02Å; R205-D239 IonicContact CZ-OD1 3.48Å; R205-D239 IonicContact NE-OD1 2.7Å; R205-D239 PolarHBondContact NE-OD1 2.91Å; R205-D239 IonicContact NH2-OD1 4Å; R205-P274 PolarHBondContact NH2-O 3.1Å; R205-P274 VanDerWaalsContact NH2-O 3.12Å; R205-L276 VanDerWaalsContact CZ-CD1 3.43Å
206E95.1Very high94.9Very high53 Ų5348.6 Ų48.625%0.24826%0.255CS..THydrogen-bonded Turntrans-63.4-30.5177.1-72.461.3-126.700111.4E149 P274E149-E206 VanDerWaalsContact OE2-OE2 3.12Å; E206-P274 HydrophobicContact CG-CB 3.77Å
207T94.6Very high94.8Very high119 Ų11948.6 Ų48.673%0.7326%0.255SS*.THydrogen-bonded Turntrans-83.7-50.1173.4-58.70000112.4D204 R205D204-T207 PolarHBondContact O-N 3.27Å; D204-T207 VanDerWaalsContact OD2-CB 3.32Å; D204-T207 WeakPolarHBondContact OD2-CB 3.22Å; D204-T207 PolarHBondContact OD2-N 2.87Å; D204-T207 PolarHBondContact OD2-OG1 3.13Å; R205-T207 PolarHBondContact O-N 2.83Å
208Q94.9Very high94.5Very high91 Ų9148.9 Ų48.943%0.42526%0.258SS..  trans-155.1119.1179.8178.1174.6-16.700111D204 R205 E210 Y211 L237D204-Q208 PolarHBondContact O-N 3.15Å; D204-Q208 VanDerWaalsContact O-O 3.08Å; R205-Q208 CarbonylContact O-C 3.59Å; R205-Q208 PolarHBondContact O-N 3.41Å; Q208-E210 WeakPolarHBondContact CG-O 3.47Å; Q208-E210 PolarHBondContact NE2-O 3.46Å; Q208-Y211 HydrophobicContact CB-CE1 4.48Å; Q208-Y211 HydrophobicContact CB-CE2 4.47Å; Q208-Y211 HydrophobicContact CG-CE1 4.05Å; Q208-Y211 HydrophobicContact CG-CE2 4.13Å; Q208-Y211 VanDerWaalsContact O-CE2 3.27Å; Q208-Y211 WeakPolarHBondContact O-CE2 3.47Å; Q208-Y211 PolarHBondContact O-OH 2.83Å; Q208-L237 WeakPolarHBondContact O-CD1 3.42Å
209D95.5Very high94.2Very high93 Ų9348.9 Ų48.950%0.49726%0.258SS..SBendtrans-91.7-16.4-172.764.1-15.2000114.6R205 K236 L237R205-D209 HydrophobicContact CG-CB 3.82Å; D209-K236 WeakPolarHBondContact O-CA 3.46Å; D209-L237 PolarHBondContact O-N 3.32Å
210E96.4Very high93.4Very high71 Ų7151.1 Ų51.133%0.33226%0.264SS..EExtended strand (participates in β ladder)trans-137.1134.4-176.6-169.2168.9138.900112.3Q208 T234 V235 K236Q208-E210 WeakPolarHBondContact CG-O 3.47Å; Q208-E210 PolarHBondContact NE2-O 3.46Å; E210-T234 HydrophobicContact CG-CG2 3.73Å; E210-T234 WeakPolarHBondContact OE1-CG2 3.38Å; E210-V235 WeakPolarHBondContact CA-O 3.45Å; E210-K236 HydrophobicContact CG-CG 4.22Å; E210-K236 WeakPolarHBondContact OE2-CE 3.41Å; E210-K236 IonicContact OE2-NZ 2.87Å; E210-K236 PolarHBondContact OE2-NZ 2.95Å
211Y96Very high92.1Very high24 Ų2450.2 Ų50.29%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-126.9135.2178.8-60.9-96.4000110.4L186 F187 M203 Q208 V235 L237L186-Y211 HydrophobicContact CD1-CD1 3.56Å; L186-Y211 HydrophobicContact CD1-CE1 3.39Å; F187-Y211 HydrophobicContact CE2-CD1 4.34Å; F187-Y211 HydrophobicContact CE2-CG 4.12Å; F187-Y211 HydrophobicContact CZ-CD2 4.38Å; F187-Y211 AromaticContact CZ-CG 3.99Å; F187-Y211 HydrophobicContact CZ-CG 3.99Å; M203-Y211 HydrophobicContact CE-CD1 4.32Å; M203-Y211 HydrophobicContact CE-CD2 3.52Å; M203-Y211 HydrophobicContact CE-CE1 4.23Å; M203-Y211 HydrophobicContact CE-CE2 3.43Å; M203-Y211 VanDerWaalsContact CE-CE2 3.43Å; M203-Y211 HydrophobicContact CE-CG 4Å; Q208-Y211 HydrophobicContact CB-CE1 4.48Å; Q208-Y211 HydrophobicContact CB-CE2 4.47Å; Q208-Y211 HydrophobicContact CG-CE1 4.05Å; Q208-Y211 HydrophobicContact CG-CE2 4.13Å; Q208-Y211 VanDerWaalsContact O-CE2 3.27Å; Q208-Y211 WeakPolarHBondContact O-CE2 3.47Å; Q208-Y211 PolarHBondContact O-OH 2.83Å; Y211-V235 PolarHBondContact N-O 3.05Å; Y211-V235 PolarHBondContact O-N 3.35Å; Y211-L237 HydrophobicContact CD2-CG 4.39Å; Y211-L237 HydrophobicContact CE2-CD1 3.74Å; Y211-L237 HydrophobicContact CE2-CD2 4.44Å; Y211-L237 HydrophobicContact CE2-CG 3.92Å
212L96.4Very high90.9Very high97 Ų9749.7 Ų49.751%0.50827%0.267SS..EExtended strand (participates in β ladder)trans-102.1116.6173.6-61.5176.9000109.2T232 T234L212-T232 HydrophobicContact CB-CG2 4.23Å; L212-T232 HydrophobicContact CD2-CG2 4.28Å; L212-T234 HydrophobicContact CD2-CG2 4.12Å
213V96.7Very high89.1Confident0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-108.8117179.5-172.10000108.8I180 Q182 F187 L196 L215 T232 V233 V235I180-V213 HydrophobicContact CG1-CG1 4.38Å; I180-V213 HydrophobicContact CG2-CG1 4.08Å; Q182-V213 WeakPolarHBondContact O-CG1 3.28Å; F187-V213 HydrophobicContact CD2-CG1 4.49Å; F187-V213 HydrophobicContact CD2-CG2 3.3Å; F187-V213 HydrophobicContact CE2-CG2 3.4Å; F187-V213 VanDerWaalsContact CE2-CG2 3.4Å; F187-V213 HydrophobicContact CG-CG2 3.94Å; F187-V213 HydrophobicContact CZ-CG2 4.1Å; L196-V213 HydrophobicContact CD1-CG1 4.18Å; L196-V213 HydrophobicContact CD2-CG2 4.46Å; V213-L215 HydrophobicContact CG1-CD2 4.49Å; V213-L215 HydrophobicContact CG1-CG 4.35Å; V213-T232 WeakPolarHBondContact O-CA 3.24Å; V213-V233 HydrophobicContact CB-CB 4.48Å; V213-V233 PolarHBondContact N-O 2.97Å; V213-V233 PolarHBondContact O-N 3.42Å; V213-V235 HydrophobicContact CG2-CG2 4.06Å
214V97.1Very high87.4Confident29 Ų2961.5 Ų61.518%0.17632%0.322CS..EExtended strand (participates in β ladder)trans-91.1114.3176.3-175.50000108.3L181 Q182 T231L181-V214 HydrophobicContact CB-CB 4.38Å; L181-V214 HydrophobicContact CB-CG1 4.18Å; L181-V214 HydrophobicContact CD1-CG1 4.25Å; L181-V214 PolarHBondContact N-O 2.85Å; Q182-V214 HydrophobicContact CB-CB 3.92Å; Q182-V214 HydrophobicContact CB-CG2 3.99Å; Q182-V214 PolarHBondContact N-O 2.85Å; Q182-V214 PolarHBondContact O-N 3.35Å; Q182-V214 VanDerWaalsContact O-N 3.14Å; V214-T231 WeakPolarHBondContact CA-O 3.26Å
215L96.4Very high86Confident0 Ų062 Ų620%034%0.336CS..EExtended strand (participates in β ladder)trans-100.4151177.6-71.4168.5000110.5V160 G179 I180 V189 L196 V213 T230 T231 V233V160-L215 HydrophobicContact CB-CD1 4.27Å; V160-L215 HydrophobicContact CG1-CD1 3.63Å; V160-L215 HydrophobicContact CG2-CD1 3.66Å; G179-L215 CarbonylContact O-C 3.6Å; G179-L215 WeakPolarHBondContact O-CA 3.17Å; G179-L215 WeakPolarHBondContact O-CD2 3.35Å; I180-L215 HydrophobicContact CB-CD2 4.36Å; I180-L215 HydrophobicContact CG1-CD2 3.43Å; I180-L215 VanDerWaalsContact CG1-CD2 3.43Å; V189-L215 HydrophobicContact CB-CD2 3.94Å; V189-L215 HydrophobicContact CG1-CD2 4.08Å; V189-L215 HydrophobicContact CG2-CD2 4.04Å; L196-L215 HydrophobicContact CD1-CD1 4.49Å; L196-L215 HydrophobicContact CD1-CD2 4.27Å; V213-L215 HydrophobicContact CG1-CD2 4.49Å; V213-L215 HydrophobicContact CG1-CG 4.35Å; L215-T230 CarbonylContact O-C 3.56Å; L215-T230 WeakPolarHBondContact O-CA 3.12Å; L215-T231 HydrophobicContact CB-CG2 3.96Å; L215-T231 PolarHBondContact N-O 2.75Å; L215-T231 PolarHBondContact O-N 3.39Å; L215-V233 HydrophobicContact CD1-CG2 3.51Å; L215-V233 HydrophobicContact CG-CG2 4.44Å
216Q95.4Very high85.3Confident45 Ų4561.3 Ų61.321%0.2134%0.339CS..EExtended strand (participates in β ladder)trans-124.4133.9173.2177.8175.370.200109.3Y178 G179 L181 T228 G229 T230Y178-Q216 CarbonylContact C-O 3.59Å; Y178-Q216 WeakPolarHBondContact CA-O 3.39Å; G179-Q216 PolarHBondContact N-O 2.75Å; G179-Q216 PolarHBondContact O-N 2.82Å; L181-Q216 HydrophobicContact CD1-CB 3.89Å; L181-Q216 HydrophobicContact CD2-CB 4.22Å; L181-Q216 HydrophobicContact CG-CB 3.79Å; Q216-T228 HydrophobicContact CG-CG2 4.15Å; Q216-T228 VanDerWaalsContact NE2-CB 3.3Å; Q216-T228 VanDerWaalsContact NE2-CG2 3.33Å; Q216-T228 PolarHBondContact NE2-OG1 2.82Å; Q216-G229 CarbonylContact C-O 3.6Å; Q216-G229 VanDerWaalsContact CA-O 3.28Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; Q216-T230 HydrophobicContact CB-CG2 4.33Å; Q216-T230 HydrophobicContact CG-CG2 4.42Å
217A95.1Very high85Confident0 Ų061.8 Ų61.80%034%0.343CS..EExtended strand (participates in β ladder)trans-101.912616000000107.3P136 F138 A162 Y178 T228 G229P136-A217 HydrophobicContact CB-CB 3.94Å; F138-A217 HydrophobicContact CE1-CB 4.41Å; F138-A217 HydrophobicContact CE2-CB 3.85Å; F138-A217 HydrophobicContact CZ-CB 3.53Å; A162-A217 HydrophobicContact CB-CB 3.46Å; A162-A217 VanDerWaalsContact CB-CB 3.46Å; Y178-A217 HydrophobicContact CD1-CB 4.16Å; Y178-A217 HydrophobicContact CE1-CB 4.06Å; A217-T228 CarbonylContact O-C 3.58Å; A217-T228 VanDerWaalsContact O-CA 3.3Å; A217-T228 WeakPolarHBondContact O-CA 3.21Å; A217-G229 PolarHBondContact N-O 3.1Å; A217-G229 PolarHBondContact O-N 2.83Å
218K91.8Very high84.9Confident92 Ų9259 Ų5940%0.433%0.326SS..EExtended strand (participates in β ladder)trans-118.4128.4178.3177.7163.6-174.7177.40109.2L176 V177 L227 T228L176-K218 WeakPolarHBondContact CA-O 3.28Å; V177-K218 PolarHBondContact N-O 2.98Å; V177-K218 PolarHBondContact O-N 2.87Å; K218-L227 WeakPolarHBondContact CA-O 3.43Å; K218-T228 HydrophobicContact CB-CG2 3.91Å; K218-T228 HydrophobicContact CD-CG2 3.88Å; K218-T228 HydrophobicContact CG-CG2 3.79Å
219D89.4Confident84.9Confident2 Ų255.1 Ų55.11%0.01131%0.31CS..  trans-73.9165.8171.274.145.1000111.9N132 P136 S173 L176 G221 G226 L227N132-D219 PolarHBondContact ND2-OD1 3.27Å; N132-D219 PolarHBondContact ND2-OD2 3.29Å; N132-D219 PolarHBondContact OD1-OD1 3.48Å; N132-D219 PolarHBondContact OD1-OD2 2.65Å; P136-D219 HydrophobicContact CG-CB 4.18Å; S173-D219 WeakPolarHBondContact O-CB 3.46Å; L176-D219 HydrophobicContact CD2-CB 4.1Å; D219-G221 PolarHBondContact OD1-N 3.05Å; D219-G226 WeakPolarHBondContact OD1-CA 3.27Å; D219-L227 VanDerWaalsContact CG-N 3.26Å; D219-L227 PolarHBondContact N-O 2.78Å; D219-L227 PolarHBondContact OD1-N 2.78Å; D219-L227 VanDerWaalsContact OD1-N 3.08Å; D219-L227 VanDerWaalsContact OD2-CA 3.28Å; D219-L227 WeakPolarHBondContact OD2-CA 3.24Å; D219-L227 WeakPolarHBondContact OD2-CB 3.27Å; D219-L227 PolarHBondContact OD2-N 2.74Å
220M78Confident84.9Confident78 Ų7854.4 Ų54.438%0.38431%0.309SS..  trans-106.143.4177.3-68.3-153.2-139.200111.8N172 R175 V177 G222N172-M220 HydrophobicContact CB-CB 3.86Å; N172-M220 CarbonylContact O-C 3.46Å; N172-M220 PolarHBondContact O-N 3.04Å; R175-M220 HydrophobicContact CG-CE 4.24Å; R175-M220 PolarHBondContact O-N 3.41Å; V177-M220 HydrophobicContact CG2-CE 3.24Å; V177-M220 HydrophobicContact CG2-CG 4.01Å; V177-M220 HydrophobicContact CG2-SD 4.28Å; M220-G222 PolarHBondContact O-N 3.32Å
221G65.8Low84.9Confident11 Ų1151.2 Ų51.211%0.11329%0.294CS..  trans-56.743.4-177.600000118.3N132 D219N132-G221 WeakPolarHBondContact OD1-CA 3.14Å; D219-G221 PolarHBondContact OD1-N 3.05Å
222G63.1Low85Confident51 Ų5153.2 Ų53.253%0.52631%0.309SS..G310 helixtrans61-140.9169.600000115.3M220 L224M220-G222 PolarHBondContact O-N 3.32Å; G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.12Å
223H48.5Very low85.1Confident197 Ų19748.6 Ų48.691%0.91229%0.285SS*.G310 helixtrans-75.5-13.9-170.3-167.960.9000114.2
224L58.8Low85.1Confident171 Ų17150 Ų5090%0.89529%0.294SS*.G310 helixtrans-89.6-9.5-178-66.8170.6000113G222G222-L224 VanDerWaalsContact C-N 3.3Å; G222-L224 PolarHBondContact O-N 3.12Å
225G64.6Low85.1Confident46 Ų4648.6 Ų48.647%0.47429%0.285SS..  trans86.5131.4-17800000111.2
226G81.9Confident85.2Confident18 Ų1852.6 Ų52.619%0.18630%0.303CS..  trans-73.1151-174.400000115.4D219D219-G226 WeakPolarHBondContact OD1-CA 3.27Å
227L89.3Confident85.2Confident63 Ų6351 Ų5133%0.3330%0.296SS..  trans-77.9163.7173.1-54.3171.3000110.2N132 P135 K218 D219N132-L227 WeakPolarHBondContact ND2-CD1 3.48Å; N132-L227 WeakPolarHBondContact ND2-CG 3.35Å; P135-L227 HydrophobicContact CB-CB 4.04Å; P135-L227 HydrophobicContact CB-CD1 4.35Å; K218-L227 WeakPolarHBondContact CA-O 3.43Å; D219-L227 VanDerWaalsContact CG-N 3.26Å; D219-L227 PolarHBondContact N-O 2.78Å; D219-L227 PolarHBondContact OD1-N 2.78Å; D219-L227 VanDerWaalsContact OD1-N 3.08Å; D219-L227 VanDerWaalsContact OD2-CA 3.28Å; D219-L227 WeakPolarHBondContact OD2-CA 3.24Å; D219-L227 WeakPolarHBondContact OD2-CB 3.27Å; D219-L227 PolarHBondContact OD2-N 2.74Å
228T92.5Very high85.2Confident61 Ų6153.1 Ų53.137%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-138.5131-172.763.90000111.9Q216 A217 K218Q216-T228 HydrophobicContact CG-CG2 4.15Å; Q216-T228 VanDerWaalsContact NE2-CB 3.3Å; Q216-T228 VanDerWaalsContact NE2-CG2 3.33Å; Q216-T228 PolarHBondContact NE2-OG1 2.82Å; A217-T228 CarbonylContact O-C 3.58Å; A217-T228 VanDerWaalsContact O-CA 3.3Å; A217-T228 WeakPolarHBondContact O-CA 3.21Å; K218-T228 HydrophobicContact CB-CG2 3.91Å; K218-T228 HydrophobicContact CD-CG2 3.88Å; K218-T228 HydrophobicContact CG-CG2 3.79Å
229G94.1Very high85.3Confident9 Ų950.2 Ų50.29%0.09330%0.299CS..EExtended strand (participates in β ladder)trans-99.9150.2162.400000110.9P136 Q216 A217P136-G229 WeakPolarHBondContact O-CA 3.26Å; Q216-G229 CarbonylContact C-O 3.6Å; Q216-G229 VanDerWaalsContact CA-O 3.28Å; Q216-G229 WeakPolarHBondContact CA-O 3.42Å; A217-G229 PolarHBondContact N-O 3.1Å; A217-G229 PolarHBondContact O-N 2.83Å
230T96.3Very high85.4Confident78 Ų7850.5 Ų50.548%0.47930%0.301SS..EExtended strand (participates in β ladder)trans-128.8143.9175.557.80000111.2L181 L215 Q216L181-T230 HydrophobicContact CD1-CG2 3.65Å; L215-T230 CarbonylContact O-C 3.56Å; L215-T230 WeakPolarHBondContact O-CA 3.12Å; Q216-T230 HydrophobicContact CB-CG2 4.33Å; Q216-T230 HydrophobicContact CG-CG2 4.42Å
231T96.6Very high86Confident3 Ų346.9 Ų46.92%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-135.6160.2173.1-169.10000110.5F138 E141 Y143 V160 V214 L215F138-T231 HydrophobicContact CD1-CG2 3.54Å; F138-T231 HydrophobicContact CD2-CG2 3.95Å; F138-T231 HydrophobicContact CE1-CG2 3.51Å; F138-T231 HydrophobicContact CE2-CG2 3.93Å; F138-T231 HydrophobicContact CG-CG2 3.75Å; F138-T231 HydrophobicContact CZ-CG2 3.7Å; E141-T231 WeakPolarHBondContact CG-OG1 3.32Å; E141-T231 WeakPolarHBondContact OE1-CA 3.08Å; E141-T231 WeakPolarHBondContact OE1-CB 3.44Å; E141-T231 PolarHBondContact OE1-OG1 3.23Å; Y143-T231 HydrophobicContact CD2-CG2 4.1Å; Y143-T231 WeakPolarHBondContact CD2-OG1 3.44Å; Y143-T231 HydrophobicContact CE2-CG2 4.04Å; V160-T231 HydrophobicContact CG1-CG2 4.41Å; V214-T231 WeakPolarHBondContact CA-O 3.26Å; L215-T231 HydrophobicContact CB-CG2 3.96Å; L215-T231 PolarHBondContact N-O 2.75Å; L215-T231 PolarHBondContact O-N 3.39Å
232T97.3Very high87.1Confident66 Ų6646.4 Ų46.441%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-114.9126.1174.5-54.70000110.1L212 V213L212-T232 HydrophobicContact CB-CG2 4.23Å; L212-T232 HydrophobicContact CD2-CG2 4.28Å; V213-T232 WeakPolarHBondContact O-CA 3.24Å
233V97.7Very high88.4Confident0 Ų045.9 Ų45.90%026%0.263CS..EExtended strand (participates in β ladder)trans-100.8124.6172.8-175.80000108.9Y143 T158 V160 L196 V213 L215 V235Y143-V233 HydrophobicContact CD2-CG2 4.46Å; Y143-V233 HydrophobicContact CG-CG2 4.3Å; Y143-V233 WeakPolarHBondContact O-CA 3.1Å; T158-V233 HydrophobicContact CG2-CG1 3.92Å; V160-V233 HydrophobicContact CG1-CG2 3.58Å; L196-V233 HydrophobicContact CD2-CB 4.4Å; L196-V233 HydrophobicContact CD2-CG1 4.11Å; V213-V233 HydrophobicContact CB-CB 4.48Å; V213-V233 PolarHBondContact N-O 2.97Å; V213-V233 PolarHBondContact O-N 3.42Å; L215-V233 HydrophobicContact CD1-CG2 3.51Å; L215-V233 HydrophobicContact CG-CG2 4.44Å; V233-V235 HydrophobicContact CG1-CG2 3.98Å
234T97.9Very high90.4Very high29 Ų2937.3 Ų37.318%0.17823%0.225CC..EExtended strand (participates in β ladder)trans-89.6111171.2-53.60000109Y143 V144 A145 E210 L212 K236Y143-T234 PolarHBondContact O-N 3.49Å; V144-T234 WeakPolarHBondContact CA-O 3.31Å; A145-T234 PolarHBondContact N-O 3.18Å; E210-T234 HydrophobicContact CG-CG2 3.73Å; E210-T234 WeakPolarHBondContact OE1-CG2 3.38Å; L212-T234 HydrophobicContact CD2-CG2 4.12Å; T234-K236 HydrophobicContact CG2-CG 4.39Å
235V97.4Very high92.1Very high0 Ų029.1 Ų29.10%018%0.182CC..EExtended strand (participates in β ladder)trans-101.9117.7178-177.10000108.8V147 I157 F187 L196 E210 Y211 V213 V233V147-V235 HydrophobicContact CG1-CG1 3.71Å; I157-V235 HydrophobicContact CD1-CG1 4.34Å; I157-V235 HydrophobicContact CG2-CG1 4.09Å; I157-V235 HydrophobicContact CG2-CG2 4.18Å; F187-V235 HydrophobicContact CE1-CB 4.4Å; F187-V235 HydrophobicContact CE1-CG1 4Å; F187-V235 HydrophobicContact CE1-CG2 4.32Å; F187-V235 HydrophobicContact CZ-CB 4.15Å; F187-V235 HydrophobicContact CZ-CG1 4.1Å; F187-V235 HydrophobicContact CZ-CG2 4.29Å; L196-V235 HydrophobicContact CD2-CG2 3.97Å; E210-V235 WeakPolarHBondContact CA-O 3.45Å; Y211-V235 PolarHBondContact N-O 3.05Å; Y211-V235 PolarHBondContact O-N 3.35Å; V213-V235 HydrophobicContact CG2-CG2 4.06Å; V233-V235 HydrophobicContact CG1-CG2 3.98Å
236K97.3Very high93.4Very high84 Ų8431.4 Ų31.437%0.36518%0.18SC..EExtended strand (participates in β ladder)trans-103.1138.9175.3-58.9-169.5179.8-129.70110.4A145 V146 V147 D209 E210 T234A145-K236 PolarHBondContact O-N 2.94Å; V146-K236 CarbonylContact C-O 3.37Å; V146-K236 VanDerWaalsContact CA-O 3.26Å; V146-K236 WeakPolarHBondContact CA-O 3.41Å; V146-K236 HydrophobicContact CG2-CB 4.36Å; V147-K236 PolarHBondContact N-O 3.06Å; D209-K236 WeakPolarHBondContact O-CA 3.46Å; E210-K236 HydrophobicContact CG-CG 4.22Å; E210-K236 WeakPolarHBondContact OE2-CE 3.41Å; E210-K236 IonicContact OE2-NZ 2.87Å; E210-K236 PolarHBondContact OE2-NZ 2.95Å; T234-K236 HydrophobicContact CG2-CG 4.39Å
237L96.8Very high94.1Very high13 Ų1331.3 Ų31.37%0.06818%0.175CC..EExtended strand (participates in β ladder)trans-84.1128.7173-62.4-170.6000110.1V147 E149 M203 R205 Q208 D209 Y211V147-L237 HydrophobicContact CG1-CD2 3.6Å; V147-L237 CarbonylContact O-C 3.54Å; V147-L237 VanDerWaalsContact O-CA 3.26Å; V147-L237 WeakPolarHBondContact O-CA 3.45Å; E149-L237 HydrophobicContact CB-CB 4.38Å; E149-L237 HydrophobicContact CB-CD1 4.1Å; M203-L237 HydrophobicContact CB-CD1 4.04Å; M203-L237 HydrophobicContact CB-CD2 4.44Å; M203-L237 HydrophobicContact CE-CD2 3.86Å; R205-L237 HydrophobicContact CB-CB 4Å; R205-L237 HydrophobicContact CB-CD1 4.33Å; R205-L237 HydrophobicContact CG-CB 4.02Å; Q208-L237 WeakPolarHBondContact O-CD1 3.42Å; D209-L237 PolarHBondContact O-N 3.32Å; Y211-L237 HydrophobicContact CD2-CG 4.39Å; Y211-L237 HydrophobicContact CE2-CD1 3.74Å; Y211-L237 HydrophobicContact CE2-CD2 4.44Å; Y211-L237 HydrophobicContact CE2-CG 3.92Å
238S95.1Very high94.3Very high44 Ų4437.2 Ų37.231%0.30819%0.192SC..EExtended strand (participates in β ladder)trans-87.8137.8165.262.50000109.8V147 P148 E149V147-S238 PolarHBondContact O-N 3.13Å; P148-S238 WeakPolarHBondContact CA-OG 3.17Å; E149-S238 PolarHBondContact N-O 3.36Å
239D93.6Very high94.4Very high31 Ų3141.4 Ų41.417%0.16620%0.201CC..PPolyproline II helixtrans-62.5143.4-178.1-166.290.4000113.2E149 R205 L276 N279E149-D239 VanDerWaalsContact OE1-CA 3.31Å; E149-D239 WeakPolarHBondContact OE1-CA 3.38Å; R205-D239 IonicContact CZ-OD1 3.48Å; R205-D239 IonicContact NE-OD1 2.7Å; R205-D239 PolarHBondContact NE-OD1 2.91Å; R205-D239 IonicContact NH2-OD1 4Å; D239-L276 HydrophobicContact CB-CB 4.04Å; D239-L276 WeakPolarHBondContact OD1-CB 3.46Å; D239-L276 PolarHBondContact OD1-N 2.82Å; D239-L276 PolarHBondContact OD2-N 3.17Å; D239-N279 PolarHBondContact O-ND2 2.82Å; D239-N279 WeakPolarHBondContact OD2-CB 3.22Å; D239-N279 PolarHBondContact OD2-ND2 2.85Å
240V90.9Very high94.5Very high8 Ų845.6 Ų45.65%0.04823%0.23CC..  trans-134.8137.3176.5172.80000107.6P148 E149 D242 F335P148-V240 HydrophobicContact CB-CG2 4.1Å; E149-V240 HydrophobicContact CG-CB 3.77Å; E149-V240 HydrophobicContact CG-CG2 3.88Å; E149-V240 PolarHBondContact OE1-N 3.08Å; V240-D242 PolarHBondContact O-N 3.14Å; V240-F335 HydrophobicContact CB-CE2 4.49Å; V240-F335 HydrophobicContact CG1-CD2 3.55Å; V240-F335 HydrophobicContact CG1-CE2 3.09Å; V240-F335 HydrophobicContact CG1-CG 4.49Å; V240-F335 HydrophobicContact CG1-CZ 3.68Å
241N90.7Very high94.5Very high2 Ų244.3 Ų44.31%0.01123%0.227CC..SBendtrans-70.692.2178.9-168.2-14.3000111.3D275 N279 N328 V330 F341N241-D275 VanDerWaalsContact CA-OD2 3.29Å; N241-D275 WeakPolarHBondContact CA-OD2 3.25Å; N241-D275 PolarHBondContact OD1-OD2 2.96Å; N241-N279 HydrophobicContact CB-CB 3.81Å; N241-N279 PolarHBondContact N-ND2 2.89Å; N241-N328 VanDerWaalsContact ND2-CG 3.27Å; N241-N328 PolarHBondContact ND2-ND2 3.43Å; N241-N328 VanDerWaalsContact ND2-ND2 3.2Å; N241-N328 PolarHBondContact ND2-OD1 2.75Å; N241-V330 PolarHBondContact ND2-O 2.67Å; N241-F341 HydrophobicContact CB-CE1 4.36Å; N241-F341 WeakPolarHBondContact O-CE1 3.47Å; N241-F341 WeakPolarHBondContact O-CZ 3.11Å; N241-F341 VanDerWaalsContact OD1-CD1 3.27Å; N241-F341 WeakPolarHBondContact OD1-CD1 3.35Å; N241-F341 WeakPolarHBondContact OD1-CE1 3.36Å
242D89.2Confident94.5Very high1 Ų145.7 Ų45.71%0.00523%0.232CC..  trans-127.3-6.2-175.486.5-37.6000112.5M150 V240 D275 F335 K338M150-D242 HydrophobicContact SD-CB 4.11Å; V240-D242 PolarHBondContact O-N 3.14Å; D242-D275 PolarHBondContact N-OD2 2.83Å; D242-F335 HydrophobicContact CB-CB 4.41Å; D242-F335 HydrophobicContact CB-CD1 3.96Å; D242-F335 HydrophobicContact CB-CE1 4.45Å; D242-F335 HydrophobicContact CB-CG 4.06Å; D242-K338 HydrophobicContact CB-CD 4Å; D242-K338 WeakPolarHBondContact O-CD 3.23Å; D242-K338 IonicContact OD2-NZ 3.7Å; D242-K338 PolarHBondContact OD2-NZ 3.39Å
243N90.1Very high94.5Very high40 Ų4045.7 Ų45.721%0.21424%0.235CC..SBendtrans-111.1117.6172.1-62.5-77.1000111.2P274 D275N243-P274 HydrophobicContact CB-CB 4.18Å; N243-P274 HydrophobicContact CB-CG 3.87Å; N243-D275 VanDerWaalsContact CB-OD1 3.26Å; N243-D275 WeakPolarHBondContact CB-OD1 3.39Å; N243-D275 PolarHBondContact N-OD2 2.79Å; N243-D275 PolarHBondContact ND2-OD1 3.1Å
244P90.6Very high94.5Very high16 Ų1647.4 Ų47.410%0.10424%0.242CC..  trans-68.7149.6175.727.4-31.9000111.5H246 P340P244-H246 PolarHBondContact O-CD2 2.84Å; P244-H246 PolarHBondContact O-NE2 2.91Å; P244-P340 WeakPolarHBondContact CB-O 3.38Å
245P93.3Very high94.4Very high0 Ų049.1 Ų49.10%026%0.255CS..  trans-68.3145.2176.630.4-37.2000110.6D273 L282 V326 N328 D343P245-D273 HydrophobicContact CB-CB 4.26Å; P245-L282 HydrophobicContact CB-CD2 3.4Å; P245-L282 HydrophobicContact CG-CD2 4.33Å; P245-V326 HydrophobicContact CB-CG1 4.24Å; P245-V326 HydrophobicContact CB-CG2 4.2Å; P245-V326 HydrophobicContact CG-CG1 4.45Å; P245-N328 HydrophobicContact CG-CB 4.27Å; P245-D343 WeakPolarHBondContact O-CB 3.34Å
246H93.5Very high94.4Very high93 Ų9349.6 Ų49.643%0.43126%0.258SS..EExtended strand (participates in β ladder)trans-135.2136.5-179-68.6-55.3000112.8P244 A271 T272 D343P244-H246 PolarHBondContact O-CD2 2.84Å; P244-H246 PolarHBondContact O-NE2 2.91Å; H246-A271 CarbonylContact O-C 3.54Å; H246-A271 WeakPolarHBondContact O-CA 3.5Å; H246-A271 WeakPolarHBondContact O-CB 3.33Å; H246-T272 PolarHBondContact N-O 3.48Å; H246-T272 PolarHBondContact O-N 3.35Å; H246-D343 WeakPolarHBondContact CA-OD2 3.21Å; H246-D343 IonicContact ND1-OD2 3.07Å
247F95.6Very high94.3Very high16 Ų1647.7 Ų47.77%0.0726%0.255CS..EExtended strand (participates in β ladder)trans-71.1141.4167.6-75-73.5000110.7R249 L269 A271 F284 V324 V326 D343 A345F247-R249 WeakPolarHBondContact CB-O 3.28Å; F247-R249 PolarHBondContact O-N 2.71Å; F247-R249 VanDerWaalsContact O-N 3.15Å; F247-L269 HydrophobicContact CD1-CB 4.34Å; F247-L269 HydrophobicContact CE1-CB 4.01Å; F247-L269 HydrophobicContact CE1-CD1 4.09Å; F247-A271 HydrophobicContact CD1-CB 3.94Å; F247-A271 HydrophobicContact CE1-CB 4.23Å; F247-A271 HydrophobicContact CG-CB 4.47Å; F247-F284 HydrophobicContact CE1-CD1 4.09Å; F247-F284 AromaticContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CZ-CD1 4.08Å; F247-F284 HydrophobicContact CZ-CE1 4.19Å; F247-V324 VanDerWaalsContact CE2-O 3.3Å; F247-V324 WeakPolarHBondContact CE2-O 3.42Å; F247-V324 HydrophobicContact CZ-CB 4.41Å; F247-V324 HydrophobicContact CZ-CG1 4.08Å; F247-V326 HydrophobicContact CD2-CB 4.47Å; F247-V326 HydrophobicContact CD2-CG1 3.72Å; F247-V326 HydrophobicContact CE1-CB 4.23Å; F247-V326 HydrophobicContact CE1-CG1 4.36Å; F247-V326 HydrophobicContact CE2-CB 3.76Å; F247-V326 HydrophobicContact CE2-CG1 3.43Å; F247-V326 VanDerWaalsContact CE2-CG1 3.43Å; F247-V326 HydrophobicContact CG-CG1 4.32Å; F247-V326 HydrophobicContact CZ-CB 3.61Å; F247-V326 HydrophobicContact CZ-CG1 3.79Å; F247-D343 HydrophobicContact CD2-CB 4.38Å; F247-D343 WeakPolarHBondContact CE2-O 3.48Å; F247-D343 PolarHBondContact N-OD2 3.41Å; F247-A345 HydrophobicContact CB-CB 4.09Å; F247-A345 HydrophobicContact CD1-CB 4.18Å; F247-A345 HydrophobicContact CD2-CB 3.52Å; F247-A345 HydrophobicContact CE2-CB 3.87Å; F247-A345 HydrophobicContact CG-CB 3.67Å; F247-A345 HydrophobicContact CZ-CB 4.36Å
248R94.1Very high94.3Very high187 Ų18747.3 Ų47.371%0.70625%0.253SS*.SBendtrans-62.4-23.1174.2-74.7-160174.9-139-1.1113.6W252 T270R248-W252 HydrophobicContact CB-CZ2 4.46Å; R248-T270 WeakPolarHBondContact CB-OG1 3.26Å; R248-T270 WeakPolarHBondContact CD-OG1 3.44Å; R248-T270 WeakPolarHBondContact CG-OG1 3.16Å; R248-T270 PolarHBondContact N-O 2.84Å
249R94.8Very high94.2Very high149 Ų14950.1 Ų50.156%0.56226%0.264SS*.  trans-142139.5179.4-50.5176.674-1761.8108.4F247 A251 W252F247-R249 WeakPolarHBondContact CB-O 3.28Å; F247-R249 PolarHBondContact O-N 2.71Å; F247-R249 VanDerWaalsContact O-N 3.15Å; R249-A251 VanDerWaalsContact C-N 3.27Å; R249-A251 PolarHBondContact O-N 2.98Å; R249-W252 HydrophobicContact CB-CD2 4.39Å; R249-W252 HydrophobicContact CB-CZ2 3.85Å; R249-W252 HydrophobicContact CG-CH2 4.15Å; R249-W252 HydrophobicContact CG-CZ2 3.82Å; R249-W252 PolarHBondContact O-NE1 3.08Å
250S94.9Very high94.3Very high98 Ų9849.3 Ų49.369%0.68526%0.262SS*.SBendtrans-74.1-18.9174.554.10000113.4A345 T346S250-A345 WeakPolarHBondContact O-CA 3.47Å; S250-T346 PolarHBondContact O-N 2.99Å
251A96.4Very high94.5Very high51 Ų5151.6 Ų51.642%0.42128%0.282SS..EExtended strand (participates in β ladder)trans-140.6138.3179.300000112.1R249 T346R249-A251 VanDerWaalsContact C-N 3.27Å; R249-A251 PolarHBondContact O-N 2.98Å; A251-T346 CarbonylContact C-O 3.56Å; A251-T346 VanDerWaalsContact CA-O 3.26Å; A251-T346 WeakPolarHBondContact CA-O 3.39Å
252W97.3Very high94.7Very high31 Ų3154.8 Ų54.812%0.11730%0.302CS..EExtended strand (participates in β ladder)trans-127.8145179.9-61.581.3000110.1R248 R249 F254 L269 T346 V347 R348R248-W252 HydrophobicContact CB-CZ2 4.46Å; R249-W252 HydrophobicContact CB-CD2 4.39Å; R249-W252 HydrophobicContact CB-CZ2 3.85Å; R249-W252 HydrophobicContact CG-CH2 4.15Å; R249-W252 HydrophobicContact CG-CZ2 3.82Å; R249-W252 PolarHBondContact O-NE1 3.08Å; W252-F254 HydrophobicContact CB-CE2 3.79Å; W252-F254 HydrophobicContact CB-CZ 4.03Å; W252-F254 HydrophobicContact CD2-CZ 4.41Å; W252-F254 HydrophobicContact CE3-CE1 4.48Å; W252-F254 AromaticContact CE3-CZ 3.86Å; W252-F254 HydrophobicContact CE3-CZ 3.86Å; W252-L269 HydrophobicContact CB-CD2 3.69Å; W252-L269 VanDerWaalsContact CD1-CD2 3.41Å; W252-L269 HydrophobicContact CD2-CD2 3.47Å; W252-L269 VanDerWaalsContact CD2-CD2 3.47Å; W252-L269 HydrophobicContact CE3-CD2 4.13Å; W252-L269 HydrophobicContact CG-CD2 3.22Å; W252-T346 PolarHBondContact N-O 2.86Å; W252-V347 HydrophobicContact CB-CG2 4.41Å; W252-R348 PolarHBondContact O-N 2.99Å
253S97.3Very high94.9Very high67 Ų6757.4 Ų57.447%0.46933%0.329SS..EExtended strand (participates in β ladder)trans-133129.2175.6-173.80000109.9R348S253-R348 CarbonylContact C-O 3.55Å; S253-R348 VanDerWaalsContact CA-O 3.23Å; S253-R348 WeakPolarHBondContact CA-O 3.47Å
254F97.5Very high95.1Very high36 Ų3658.5 Ų58.516%0.15834%0.338CS..EExtended strand (participates in β ladder)trans-129.4165.8178.8-57.1-65.7000110W252 V266 R268 L269 I306 V347 R348 M350W252-F254 HydrophobicContact CB-CE2 3.79Å; W252-F254 HydrophobicContact CB-CZ 4.03Å; W252-F254 HydrophobicContact CD2-CZ 4.41Å; W252-F254 HydrophobicContact CE3-CE1 4.48Å; W252-F254 AromaticContact CE3-CZ 3.86Å; W252-F254 HydrophobicContact CE3-CZ 3.86Å; F254-V266 HydrophobicContact CB-CG1 4.03Å; F254-R268 WeakPolarHBondContact CZ-O 3.32Å; F254-L269 HydrophobicContact CE2-CD2 3.89Å; F254-L269 HydrophobicContact CZ-CD2 4.09Å; F254-I306 HydrophobicContact CE2-CD1 4.19Å; F254-V347 HydrophobicContact CD2-CG1 3.84Å; F254-V347 HydrophobicContact CE2-CG1 3.99Å; F254-R348 PolarHBondContact N-O 2.85Å; F254-M350 PolarHBondContact O-N 2.97Å
255S96.6Very high95.4Very high65 Ų6562 Ų6246%0.45535%0.353SS..EExtended strand (participates in β ladder)trans-135.4136.7175.258.70000110.2M350S255-M350 CarbonylContact C-O 3.43Å; S255-M350 WeakPolarHBondContact CA-O 3.29Å
256V96.9Very high95.5Very high10 Ų1062.6 Ų62.66%0.06136%0.356CS..EExtended strand (participates in β ladder)trans-136.2141.3177.564.70000108.9A260 V266 L312 V349 M350 I351 L352V256-A260 HydrophobicContact CG2-CB 3.52Å; V256-V266 HydrophobicContact CB-CG1 4.33Å; V256-V266 HydrophobicContact CB-CG2 4.42Å; V256-V266 HydrophobicContact CG1-CG1 4.45Å; V256-V266 HydrophobicContact CG2-CG2 4.35Å; V256-L312 HydrophobicContact CG1-CD1 3.57Å; V256-L312 HydrophobicContact CG2-CD1 4.47Å; V256-V349 HydrophobicContact CG1-CG1 3.68Å; V256-M350 PolarHBondContact N-O 3.25Å; V256-I351 HydrophobicContact CG1-CD1 3.66Å; V256-I351 CarbonylContact O-C 3.46Å; V256-I351 WeakPolarHBondContact O-CA 3.29Å; V256-L352 PolarHBondContact O-N 3.13Å
257S95.9Very high95.6Very high43 Ų4358.5 Ų58.530%0.30134%0.339SS..EExtended strand (participates in β ladder)trans-73.1145.9174.6176.80000110.1L259 A260S257-L259 PolarHBondContact O-N 2.58Å; S257-L259 PolarHBondContact OG-N 3.42Å; S257-A260 WeakPolarHBondContact O-CB 3.38Å; S257-A260 PolarHBondContact O-N 3.39Å
258E95.4Very high95.6Very high5 Ų562.9 Ų62.92%0.02336%0.355CS..THydrogen-bonded Turntrans-63.2-27.9174.673.8-165.4121.800113.6A260 L312 Y314 I351 L352 N353 A354E258-A260 PolarHBondContact O-N 3.11Å; E258-A260 VanDerWaalsContact O-N 3.16Å; E258-L312 HydrophobicContact CB-CB 4.28Å; E258-Y314 WeakPolarHBondContact OE2-CB 3.23Å; E258-Y314 PolarHBondContact OE2-N 2.77Å; E258-I351 HydrophobicContact CB-CG2 3.88Å; E258-L352 PolarHBondContact N-O 2.75Å; E258-N353 VanDerWaalsContact OE1-CA 3.32Å; E258-N353 WeakPolarHBondContact OE1-CA 3.32Å; E258-N353 PolarHBondContact OE1-OD1 2.84Å; E258-A354 HydrophobicContact CG-CB 4.41Å; E258-A354 PolarHBondContact OE1-N 3.18Å
259L93.2Very high95.7Very high104 Ų10454 Ų5455%0.54532%0.321SS..THydrogen-bonded Turntrans-72.9-0.6174.2-59.6179.6000113S257 A261 A354S257-L259 PolarHBondContact O-N 2.58Å; S257-L259 PolarHBondContact OG-N 3.42Å; L259-A261 PolarHBondContact O-N 3.15Å; L259-A354 HydrophobicContact CD1-CB 3.55Å; L259-A354 HydrophobicContact CG-CB 3.77Å
260A95.1Very high95.7Very high13 Ų1348.6 Ų48.611%0.10731%0.305CS..PPolyproline II helixtrans-64.6125.2177.200000110.5V256 S257 E258 L308V256-A260 HydrophobicContact CG2-CB 3.52Å; S257-A260 WeakPolarHBondContact O-CB 3.38Å; S257-A260 PolarHBondContact O-N 3.39Å; E258-A260 PolarHBondContact O-N 3.11Å; E258-A260 VanDerWaalsContact O-N 3.16Å; A260-L308 HydrophobicContact CB-CD2 3.87Å; A260-L308 WeakPolarHBondContact O-CD2 3.44Å
261A95.2Very high95.7Very high57 Ų5744 Ų4447%0.47127%0.273SS..PPolyproline II helixtrans-68.4150.6174.300000111.1L259 G263 V264L259-A261 PolarHBondContact O-N 3.15Å; A261-G263 PolarHBondContact O-N 2.8Å; A261-V264 WeakPolarHBondContact O-CB 3.37Å; A261-V264 VanDerWaalsContact O-CG2 3.25Å; A261-V264 WeakPolarHBondContact O-CG2 3.17Å; A261-V264 PolarHBondContact O-N 3.49Å
262P95.5Very high95.6Very high68 Ų6843.9 Ų43.944%0.44227%0.267SS..THydrogen-bonded Turntrans-52.9139166.5-2736.5000111.6L308 L311P262-L308 CarbonylContact C-O 3.5Å; P262-L308 WeakPolarHBondContact CA-O 3.41Å; P262-L311 HydrophobicContact CG-CD2 4.39Å; P262-L311 HydrophobicContact CG-CG 4.41Å
263G94Very high95.4Very high56 Ų5642.6 Ų42.658%0.57726%0.263SS*.THydrogen-bonded Turntrans98.2-8.5-175.500000114.4A261 V307 L308A261-G263 PolarHBondContact O-N 2.8Å; G263-V307 VanDerWaalsContact C-CG1 3.49Å; G263-V307 WeakPolarHBondContact O-CG1 3.44Å; G263-L308 PolarHBondContact N-O 3.02Å
264V94.8Very high95.1Very high64 Ų6442.5 Ų42.539%0.38826%0.26SS..  trans-72.9138.3176.4172.70000111.1A261 V266 V307 L308A261-V264 WeakPolarHBondContact O-CB 3.37Å; A261-V264 VanDerWaalsContact O-CG2 3.25Å; A261-V264 WeakPolarHBondContact O-CG2 3.17Å; A261-V264 PolarHBondContact O-N 3.49Å; V264-V266 PolarHBondContact O-N 3.2Å; V264-V307 WeakPolarHBondContact O-CA 3.44Å; V264-L308 PolarHBondContact O-N 3.07Å
265E95.8Very high94.9Very high89 Ų8940.9 Ų40.942%0.41625%0.253SS..EExtended strand (participates in β ladder)trans-70.8120.3172.8-179.8178.6142.900110.4R268 V305E265-R268 WeakPolarHBondContact OE1-CD 3.48Å; E265-R268 WeakPolarHBondContact OE1-CG 3.4Å; E265-R268 IonicContact OE1-CZ 3.6Å; E265-R268 IonicContact OE1-NE 3.56Å; E265-R268 PolarHBondContact OE1-NE 3.21Å; E265-R268 IonicContact OE1-NH2 3.54Å; E265-R268 IonicContact OE2-CZ 2.83Å; E265-R268 IonicContact OE2-NE 2.78Å; E265-R268 PolarHBondContact OE2-NE 3.23Å; E265-R268 IonicContact OE2-NH2 2.74Å; E265-R268 PolarHBondContact OE2-NH2 3.23Å; E265-V305 HydrophobicContact CB-CG1 4.4Å; E265-V305 HydrophobicContact CG-CG1 3.61Å
266V96.3Very high94.7Very high13 Ų1342.2 Ų42.28%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-86.7-39.2177.71780000110.9F254 V256 V264 F295 I306 L308 V349F254-V266 HydrophobicContact CB-CG1 4.03Å; V256-V266 HydrophobicContact CB-CG1 4.33Å; V256-V266 HydrophobicContact CB-CG2 4.42Å; V256-V266 HydrophobicContact CG1-CG1 4.45Å; V256-V266 HydrophobicContact CG2-CG2 4.35Å; V264-V266 PolarHBondContact O-N 3.2Å; V266-F295 HydrophobicContact CG2-CD1 4.26Å; V266-F295 HydrophobicContact CG2-CE1 4.23Å; V266-I306 HydrophobicContact CB-CB 4.45Å; V266-I306 HydrophobicContact CB-CG2 4.17Å; V266-I306 PolarHBondContact N-O 2.63Å; V266-L308 HydrophobicContact CG2-CB 4.05Å; V266-V349 HydrophobicContact CG1-CG1 3.67Å; V266-V349 HydrophobicContact CG1-CG2 3.98Å
267G94.8Very high94.4Very high6 Ų644.8 Ų44.86%0.06228%0.283CS..EExtended strand (participates in β ladder)trans179.9170-178.100000113.6I306G267-I306 PolarHBondContact O-N 2.96Å
268R95.6Very high94.1Very high108 Ų10848.8 Ų48.841%0.40830%0.297SS..EExtended strand (participates in β ladder)trans-123132.2178.7-58.4-170.9-177.1-152.5-3.9111.7F254 E265 E303 A304 V305F254-R268 WeakPolarHBondContact CZ-O 3.32Å; E265-R268 WeakPolarHBondContact OE1-CD 3.48Å; E265-R268 WeakPolarHBondContact OE1-CG 3.4Å; E265-R268 IonicContact OE1-CZ 3.6Å; E265-R268 IonicContact OE1-NE 3.56Å; E265-R268 PolarHBondContact OE1-NE 3.21Å; E265-R268 IonicContact OE1-NH2 3.54Å; E265-R268 IonicContact OE2-CZ 2.83Å; E265-R268 IonicContact OE2-NE 2.78Å; E265-R268 PolarHBondContact OE2-NE 3.23Å; E265-R268 IonicContact OE2-NH2 2.74Å; E265-R268 PolarHBondContact OE2-NH2 3.23Å; R268-E303 IonicContact CZ-OE2 3.6Å; R268-E303 IonicContact NH1-OE2 3.54Å; R268-E303 PolarHBondContact NH1-OE2 2.99Å; R268-A304 CarbonylContact C-O 3.56Å; R268-A304 VanDerWaalsContact CA-O 3.32Å; R268-A304 WeakPolarHBondContact CA-O 3.48Å; R268-V305 HydrophobicContact CG-CG2 4.31Å
269L95.6Very high93.8Very high0 Ų050.1 Ų50.10%030%0.304CS..EExtended strand (participates in β ladder)trans-100.8145.5169.1-49.2173000108.4F247 W252 F254 E303 A304 I306 V324 V347F247-L269 HydrophobicContact CD1-CB 4.34Å; F247-L269 HydrophobicContact CE1-CB 4.01Å; F247-L269 HydrophobicContact CE1-CD1 4.09Å; W252-L269 HydrophobicContact CB-CD2 3.69Å; W252-L269 VanDerWaalsContact CD1-CD2 3.41Å; W252-L269 HydrophobicContact CD2-CD2 3.47Å; W252-L269 VanDerWaalsContact CD2-CD2 3.47Å; W252-L269 HydrophobicContact CE3-CD2 4.13Å; W252-L269 HydrophobicContact CG-CD2 3.22Å; F254-L269 HydrophobicContact CE2-CD2 3.89Å; F254-L269 HydrophobicContact CZ-CD2 4.09Å; L269-E303 CarbonylContact O-C 3.57Å; L269-E303 WeakPolarHBondContact O-CA 3.3Å; L269-A304 HydrophobicContact CB-CB 4.02Å; L269-A304 HydrophobicContact CD1-CB 4.31Å; L269-A304 HydrophobicContact CG-CB 4.49Å; L269-A304 PolarHBondContact N-O 3.06Å; L269-A304 PolarHBondContact O-N 2.87Å; L269-I306 HydrophobicContact CD1-CD1 4.09Å; L269-I306 HydrophobicContact CD2-CD1 4.41Å; L269-I306 HydrophobicContact CG-CD1 4.16Å; L269-V324 HydrophobicContact CD1-CB 3.84Å; L269-V324 HydrophobicContact CD1-CG1 3.78Å; L269-V324 HydrophobicContact CD1-CG2 3.89Å; L269-V347 HydrophobicContact CD1-CG2 3.96Å; L269-V347 HydrophobicContact CD2-CG2 3.84Å
270T95.5Very high93.7Very high37 Ų3746.4 Ų46.423%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-118.9129.2173.758.20000109.7R248 E303R248-T270 WeakPolarHBondContact CB-OG1 3.26Å; R248-T270 WeakPolarHBondContact CD-OG1 3.44Å; R248-T270 WeakPolarHBondContact CG-OG1 3.16Å; R248-T270 PolarHBondContact N-O 2.84Å; T270-E303 HydrophobicContact CG2-CG 4.35Å
271A94.8Very high93.5Very high1 Ų149.1 Ų49.11%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-122.9158.8171.200000110.3H246 F247 L282 F284 R302 V326H246-A271 CarbonylContact O-C 3.54Å; H246-A271 WeakPolarHBondContact O-CA 3.5Å; H246-A271 WeakPolarHBondContact O-CB 3.33Å; F247-A271 HydrophobicContact CD1-CB 3.94Å; F247-A271 HydrophobicContact CE1-CB 4.23Å; F247-A271 HydrophobicContact CG-CB 4.47Å; A271-L282 HydrophobicContact CB-CD1 3.88Å; A271-F284 HydrophobicContact CB-CE1 3.83Å; A271-F284 HydrophobicContact CB-CZ 4.03Å; A271-R302 PolarHBondContact N-O 3.35Å; A271-R302 VanDerWaalsContact N-O 3.08Å; A271-V326 HydrophobicContact CB-CB 4.35Å; A271-V326 HydrophobicContact CB-CG1 4.18Å; A271-V326 HydrophobicContact CB-CG2 4.01Å
272T93.5Very high93.4Very high49 Ų4947.3 Ų47.330%0.30128%0.281SS..EExtended strand (participates in β ladder)trans-134.8136-178.951.40000109.6H246H246-T272 PolarHBondContact N-O 3.48Å; H246-T272 PolarHBondContact O-N 3.35Å
273D93.3Very high93.2Very high4 Ų448.8 Ų48.82%0.02128%0.282CS..  trans-126.9117.2169.5-166.1-41000105.6P245 D275 A280 L282 N328P245-D273 HydrophobicContact CB-CB 4.26Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.21Å; D273-D275 PolarHBondContact OD1-N 2.67Å; D273-A280 HydrophobicContact CB-CB 4.19Å; D273-L282 HydrophobicContact CB-CD2 3.83Å; D273-N328 PolarHBondContact OD2-ND2 3.22Å
274P92.5Very high93.2Very high64 Ų6447 Ų4742%0.41626%0.258SS..  trans-65.1-18.5-177.9-24.535.2000115.8R205 E206 N243R205-P274 PolarHBondContact NH2-O 3.1Å; R205-P274 VanDerWaalsContact NH2-O 3.12Å; E206-P274 HydrophobicContact CG-CB 3.77Å; N243-P274 HydrophobicContact CB-CB 4.18Å; N243-P274 HydrophobicContact CB-CG 3.87Å
275D93.4Very high93.2Very high3 Ų346.9 Ų46.92%0.01626%0.258CS..SBendtrans-71-173.3-172.9-62.2-9.5000111.3N241 D242 N243 D273 N279 A280N241-D275 VanDerWaalsContact CA-OD2 3.29Å; N241-D275 WeakPolarHBondContact CA-OD2 3.25Å; N241-D275 PolarHBondContact OD1-OD2 2.96Å; D242-D275 PolarHBondContact N-OD2 2.83Å; N243-D275 VanDerWaalsContact CB-OD1 3.26Å; N243-D275 WeakPolarHBondContact CB-OD1 3.39Å; N243-D275 PolarHBondContact N-OD2 2.79Å; N243-D275 PolarHBondContact ND2-OD1 3.1Å; D273-D275 PolarHBondContact O-N 3.4Å; D273-D275 WeakPolarHBondContact OD1-CB 3.21Å; D273-D275 PolarHBondContact OD1-N 2.67Å; D275-N279 HydrophobicContact CB-CB 3.83Å; D275-N279 VanDerWaalsContact CB-O 3.29Å; D275-N279 WeakPolarHBondContact CB-O 3.5Å; D275-A280 HydrophobicContact CB-CB 4.31Å; D275-A280 VanDerWaalsContact O-CB 3.24Å; D275-A280 WeakPolarHBondContact O-CB 3.08Å
276L92.1Very high93.2Very high93 Ų9343.7 Ų43.749%0.48724%0.244SC..  trans-123146.9-178.7-67.3175.4000114.6R205 D239 E278 N279R205-L276 VanDerWaalsContact CZ-CD1 3.43Å; D239-L276 HydrophobicContact CB-CB 4.04Å; D239-L276 WeakPolarHBondContact OD1-CB 3.46Å; D239-L276 PolarHBondContact OD1-N 2.82Å; D239-L276 PolarHBondContact OD2-N 3.17Å; L276-E278 PolarHBondContact O-N 3.42Å; L276-N279 WeakPolarHBondContact O-CB 3.44Å; L276-N279 PolarHBondContact O-N 3.44Å
277G90.2Very high93.1Very high63 Ų6346.9 Ų46.965%0.64926%0.26SS*.G310 helixtrans62-128.3173.800000111.9N279 A280G277-N279 PolarHBondContact O-N 2.82Å; G277-A280 PolarHBondContact O-N 2.87Å; G277-A280 VanDerWaalsContact O-N 3.1Å
278E89.3Confident93Very high128 Ų12850 Ų5060%0.59828%0.275SS*.G310 helixtrans-64.2-29.9179.3-60-69.7130.300112.2L276 A280 Q281 V330L276-E278 PolarHBondContact O-N 3.42Å; E278-A280 PolarHBondContact O-N 3.23Å; E278-Q281 WeakPolarHBondContact O-CB 3.33Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-Q281 PolarHBondContact OE2-OE1 3.3Å; E278-V330 HydrophobicContact CB-CG2 4.21Å
279N89.6Confident92.7Very high33 Ų3348.7 Ų48.718%0.17629%0.287CS..G310 helixtrans-72.7-6176.5-62.7-24000112.5D239 N241 D275 L276 G277 N328D239-N279 PolarHBondContact O-ND2 2.82Å; D239-N279 WeakPolarHBondContact OD2-CB 3.22Å; D239-N279 PolarHBondContact OD2-ND2 2.85Å; N241-N279 HydrophobicContact CB-CB 3.81Å; N241-N279 PolarHBondContact N-ND2 2.89Å; D275-N279 HydrophobicContact CB-CB 3.83Å; D275-N279 VanDerWaalsContact CB-O 3.29Å; D275-N279 WeakPolarHBondContact CB-O 3.5Å; L276-N279 WeakPolarHBondContact O-CB 3.44Å; L276-N279 PolarHBondContact O-N 3.44Å; G277-N279 PolarHBondContact O-N 2.82Å; N279-N328 PolarHBondContact O-ND2 2.72Å
280A90.8Very high92.4Very high25 Ų2556 Ų5621%0.20732%0.322CS..G310 helixtrans-115.513.1172.600000113.1D273 D275 G277 E278 L282D273-A280 HydrophobicContact CB-CB 4.19Å; D275-A280 HydrophobicContact CB-CB 4.31Å; D275-A280 VanDerWaalsContact O-CB 3.24Å; D275-A280 WeakPolarHBondContact O-CB 3.08Å; G277-A280 PolarHBondContact O-N 2.87Å; G277-A280 VanDerWaalsContact O-N 3.1Å; E278-A280 PolarHBondContact O-N 3.23Å; A280-L282 PolarHBondContact O-N 3.38Å
281Q90.4Very high92.3Very high71 Ų7155.8 Ų55.833%0.33232%0.318SS..  trans-73129.4-178-179.9170.4-30.300110.5E278 N328 P329E278-Q281 WeakPolarHBondContact O-CB 3.33Å; E278-Q281 PolarHBondContact O-N 2.94Å; E278-Q281 PolarHBondContact OE2-OE1 3.3Å; Q281-N328 WeakPolarHBondContact O-CA 3.05Å; Q281-P329 HydrophobicContact CG-CG 4.4Å; Q281-P329 WeakPolarHBondContact O-CD 3.35Å
282L92.9Very high92Very high19 Ų1957.7 Ų57.710%0.09933%0.334CS..  trans-109.2124.3-178.7-58.4-176000111.2P245 A271 D273 A280 F284 V326P245-L282 HydrophobicContact CB-CD2 3.4Å; P245-L282 HydrophobicContact CG-CD2 4.33Å; A271-L282 HydrophobicContact CB-CD1 3.88Å; D273-L282 HydrophobicContact CB-CD2 3.83Å; A280-L282 PolarHBondContact O-N 3.38Å; L282-F284 HydrophobicContact CB-CE2 3.82Å; L282-F284 HydrophobicContact CB-CZ 3.9Å; L282-F284 HydrophobicContact CD1-CZ 3.96Å; L282-V326 HydrophobicContact CB-CG2 3.96Å; L282-V326 HydrophobicContact CD1-CG2 4.3Å; L282-V326 HydrophobicContact CD2-CG2 3.77Å; L282-V326 HydrophobicContact CG-CG2 4.23Å
283E92.7Very high92Very high98 Ų9859.3 Ų59.346%0.45834%0.341SS..EExtended strand (participates in β ladder)trans-109.2131.8167.7-68.3-169171.600109.9V326 A327 P329E283-V326 CarbonylContact O-C 3.57Å; E283-V326 WeakPolarHBondContact O-CA 3.27Å; E283-A327 PolarHBondContact N-O 3.13Å; E283-A327 PolarHBondContact O-N 2.89Å; E283-P329 HydrophobicContact CG-CG 4.2Å
284F94.4Very high92Very high18 Ų1860.5 Ų60.58%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-112.6134.8-178-60.4-83.7000110.2F247 A271 L282 V297 A304 E325 V326F247-F284 HydrophobicContact CE1-CD1 4.09Å; F247-F284 AromaticContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CE1-CE1 3.84Å; F247-F284 HydrophobicContact CZ-CD1 4.08Å; F247-F284 HydrophobicContact CZ-CE1 4.19Å; A271-F284 HydrophobicContact CB-CE1 3.83Å; A271-F284 HydrophobicContact CB-CZ 4.03Å; L282-F284 HydrophobicContact CB-CE2 3.82Å; L282-F284 HydrophobicContact CB-CZ 3.9Å; L282-F284 HydrophobicContact CD1-CZ 3.96Å; F284-V297 HydrophobicContact CB-CG1 4.37Å; F284-V297 HydrophobicContact CB-CG2 3.77Å; F284-V297 WeakPolarHBondContact O-CG1 3.33Å; F284-A304 HydrophobicContact CB-CB 3.97Å; F284-A304 HydrophobicContact CD1-CB 3.45Å; F284-A304 VanDerWaalsContact CD1-CB 3.45Å; F284-A304 HydrophobicContact CD2-CB 3.72Å; F284-A304 HydrophobicContact CE1-CB 3.74Å; F284-A304 HydrophobicContact CE2-CB 4Å; F284-A304 HydrophobicContact CG-CB 3.42Å; F284-A304 VanDerWaalsContact CG-CB 3.42Å; F284-A304 HydrophobicContact CZ-CB 4Å; F284-E325 CarbonylContact C-O 3.56Å; F284-E325 WeakPolarHBondContact CA-O 3.45Å; F284-V326 HydrophobicContact CD1-CB 3.74Å; F284-V326 HydrophobicContact CD1-CG2 3.77Å; F284-V326 HydrophobicContact CE1-CB 3.64Å; F284-V326 HydrophobicContact CE1-CG2 3.38Å; F284-V326 HydrophobicContact CZ-CG2 3.9Å
285T94.2Very high92.1Very high63 Ų6357.5 Ų57.539%0.38733%0.327SS..EExtended strand (participates in β ladder)trans-139142.2179.157.50000110.7V324 E325T285-V324 CarbonylContact O-C 3.54Å; T285-V324 WeakPolarHBondContact O-CA 3.13Å; T285-V324 WeakPolarHBondContact O-CG1 3.41Å; T285-E325 PolarHBondContact N-O 2.81Å; T285-E325 PolarHBondContact O-N 3.49Å
286I95.9Very high92.2Very high22 Ų2261.2 Ų61.211%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-86.3123.4168.3-65.6163.5000106.4D288 A292 F295 V297 F322 V324I286-D288 WeakPolarHBondContact CG2-O 3.42Å; I286-A292 HydrophobicContact CB-CB 4.26Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; I286-F295 HydrophobicContact CD1-CB 4.06Å; I286-F295 WeakPolarHBondContact CD1-O 3.46Å; I286-V297 HydrophobicContact CD1-CB 4.04Å; I286-V297 HydrophobicContact CD1-CG1 4.21Å; I286-V297 HydrophobicContact CG1-CB 4.07Å; I286-V297 HydrophobicContact CG1-CG1 3.91Å; I286-F322 HydrophobicContact CD1-CE2 4.21Å; I286-F322 HydrophobicContact CG1-CD2 4.31Å; I286-F322 HydrophobicContact CG1-CE2 4.11Å; I286-F322 HydrophobicContact CG2-CD2 3.82Å; I286-F322 HydrophobicContact CG2-CE2 4.37Å; I286-F322 HydrophobicContact CG2-CG 4.38Å; I286-V324 HydrophobicContact CG1-CG2 4.15Å
287L93.8Very high92.3Very high80 Ų8057.7 Ų57.742%0.41933%0.33SS..SBendtrans-78.5-24.6-175-65.5179.7000113.1S323 E325 Q344L287-S323 PolarHBondContact N-O 2.94Å; L287-E325 HydrophobicContact CD1-CB 4.1Å; L287-E325 HydrophobicContact CD2-CB 3.77Å; L287-E325 HydrophobicContact CG-CB 3.94Å; L287-Q344 HydrophobicContact CD1-CG 4.17Å; L287-Q344 VanDerWaalsContact CD1-NE2 3.32Å
288D92.7Very high92.3Very high70 Ų7057.6 Ų57.637%0.37432%0.316SS..  trans-89.4119.1178.8-151.5-34.3000110.7I286 E290 E291 A292 F322I286-D288 WeakPolarHBondContact CG2-O 3.42Å; D288-E290 PolarHBondContact OD1-N 2.85Å; D288-E291 HydrophobicContact CB-CB 4.31Å; D288-E291 WeakPolarHBondContact CB-OE2 3.25Å; D288-A292 VanDerWaalsContact O-CB 3.26Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.83Å; D288-F322 HydrophobicContact CB-CB 4.24Å
289A88.8Confident92Very high81 Ų8153.7 Ų53.767%0.66931%0.311SS*.Hα-helixtrans-73.1-29.8-171.700000112.4
290E90.3Very high91.4Very high155 Ų15561.3 Ų61.372%0.72434%0.337SS*.Hα-helixtrans-70.6-44.4178.1-63.7-175.8-173.500110D288 D293D288-E290 PolarHBondContact OD1-N 2.85Å; E290-D293 WeakPolarHBondContact O-CB 3.21Å; E290-D293 PolarHBondContact O-N 3.39Å
291E91.8Very high90.9Very high31 Ų3164.4 Ų64.415%0.14536%0.363CS..Hα-helixtrans-72.4-29.1176.1-72.776.1-175.700112.4D288 D293 I294 F295 Y320 F322D288-E291 HydrophobicContact CB-CB 4.31Å; D288-E291 WeakPolarHBondContact CB-OE2 3.25Å; E291-D293 PolarHBondContact O-N 2.94Å; E291-I294 CarbonylContact O-C 3.58Å; E291-I294 PolarHBondContact O-N 2.68Å; E291-F295 HydrophobicContact CB-CD2 4.41Å; E291-F295 PolarHBondContact O-N 3.06Å; E291-Y320 HydrophobicContact CG-CD1 4.35Å; E291-F322 HydrophobicContact CB-CB 4.02Å; E291-F322 HydrophobicContact CB-CD1 3.97Å; E291-F322 HydrophobicContact CB-CG 4.07Å; E291-F322 HydrophobicContact CG-CB 3.98Å; E291-F322 HydrophobicContact CG-CD1 3.88Å; E291-F322 HydrophobicContact CG-CG 4.23Å
292A89.9Confident90.8Very high42 Ų4268.3 Ų68.335%0.34737%0.374SS..Hα-helixtrans-64-20.2174.300000113.3I286 D288 F295I286-A292 HydrophobicContact CB-CB 4.26Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; D288-A292 VanDerWaalsContact O-CB 3.26Å; D288-A292 WeakPolarHBondContact O-CB 3.37Å; D288-A292 PolarHBondContact O-N 2.83Å; A292-F295 CarbonylContact C-O 3.47Å; A292-F295 WeakPolarHBondContact CA-O 3.49Å; A292-F295 VanDerWaalsContact O-O 3.11Å
293D92.1Very high90.7Very high82 Ų8270.9 Ų70.944%0.43939%0.386SS..Hα-helixtrans-79.6-27.9173.1-164.711.6000111.6E290 E291 N309 K310E290-D293 WeakPolarHBondContact O-CB 3.21Å; E290-D293 PolarHBondContact O-N 3.39Å; E291-D293 PolarHBondContact O-N 2.94Å; D293-N309 PolarHBondContact O-ND2 2.86Å; D293-K310 WeakPolarHBondContact O-CE 3.4Å; D293-K310 WeakPolarHBondContact OD1-CE 3.07Å; D293-K310 IonicContact OD1-NZ 2.91Å; D293-K310 PolarHBondContact OD1-NZ 2.73Å; D293-K310 WeakPolarHBondContact OD2-CE 3.42Å; D293-K310 IonicContact OD2-NZ 3.41Å; D293-K310 PolarHBondContact OD2-NZ 2.82Å
294I93.9Very high90.8Very high30 Ų3066.2 Ų66.215%0.15436%0.364CS..Hα-helixtrans-91.2-40.8-179.6-57.3173.6000111.5E291 L308 N309 K310 L312 Y320E291-I294 CarbonylContact O-C 3.58Å; E291-I294 PolarHBondContact O-N 2.68Å; I294-L308 HydrophobicContact CG2-CD1 4.3Å; I294-N309 WeakPolarHBondContact O-CA 3.08Å; I294-N309 WeakPolarHBondContact O-CB 3.42Å; I294-N309 PolarHBondContact O-N 2.86Å; I294-K310 HydrophobicContact CG1-CD 4.44Å; I294-K310 PolarHBondContact O-N 3.48Å; I294-L312 HydrophobicContact CG2-CD2 3.91Å; I294-Y320 HydrophobicContact CD1-CD1 4.26Å; I294-Y320 HydrophobicContact CD1-CE1 3.52Å
295F95.8Very high90.8Very high0 Ų065.9 Ų65.90%036%0.364CS..EExtended strand (participates in β ladder)trans-120.5131.8-178.4-57.8-78.7000109.5V266 I286 E291 A292 I306 V307 L308 L312 Y320 F322 V349V266-F295 HydrophobicContact CG2-CD1 4.26Å; V266-F295 HydrophobicContact CG2-CE1 4.23Å; I286-F295 HydrophobicContact CD1-CB 4.06Å; I286-F295 WeakPolarHBondContact CD1-O 3.46Å; E291-F295 HydrophobicContact CB-CD2 4.41Å; E291-F295 PolarHBondContact O-N 3.06Å; A292-F295 CarbonylContact C-O 3.47Å; A292-F295 WeakPolarHBondContact CA-O 3.49Å; A292-F295 VanDerWaalsContact O-O 3.11Å; F295-I306 HydrophobicContact CB-CG2 4.12Å; F295-I306 HydrophobicContact CD1-CG2 4.16Å; F295-I306 HydrophobicContact CG-CG2 4.46Å; F295-V307 WeakPolarHBondContact CA-O 3.13Å; F295-L308 HydrophobicContact CD1-CD1 4.2Å; F295-L308 HydrophobicContact CE1-CD1 3.9Å; F295-L312 HydrophobicContact CZ-CD2 4.45Å; F295-Y320 HydrophobicContact CE2-CD1 4.02Å; F295-Y320 AromaticContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CE2 4.45Å; F295-Y320 AromaticContact CE2-CG 3.56Å; F295-Y320 HydrophobicContact CE2-CG 3.56Å; F295-Y320 AromaticContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CE2 4.29Å; F295-Y320 AromaticContact CZ-CG 3.94Å; F295-Y320 HydrophobicContact CZ-CG 3.94Å; F295-F322 HydrophobicContact CB-CZ 4.21Å; F295-F322 HydrophobicContact CD2-CD1 4.3Å; F295-F322 AromaticContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CZ 4.08Å; F295-F322 AromaticContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CG-CE1 4.05Å; F295-F322 HydrophobicContact CG-CZ 4.09Å; F295-V349 HydrophobicContact CE1-CB 4.48Å; F295-V349 HydrophobicContact CE1-CG1 4.14Å; F295-V349 HydrophobicContact CE1-CG2 4.29Å; F295-V349 HydrophobicContact CZ-CB 4.23Å; F295-V349 HydrophobicContact CZ-CG1 4.17Å; F295-V349 HydrophobicContact CZ-CG2 4.33Å
296N94.6Very high90.9Very high82 Ų8262.9 Ų62.944%0.43935%0.345SS..EExtended strand (participates in β ladder)trans-104.3148171-166.43000109.7I306 V307N296-I306 CarbonylContact O-C 3.53Å; N296-I306 WeakPolarHBondContact O-CA 3.44Å; N296-V307 PolarHBondContact N-O 3.16Å; N296-V307 PolarHBondContact O-N 3.3Å
297V94.7Very high90.9Very high19 Ų1963.3 Ų63.312%0.11535%0.348CS..EExtended strand (participates in β ladder)trans-113.7128.8173.265.30000109.5F284 I286 A304 V305 V324F284-V297 HydrophobicContact CB-CG1 4.37Å; F284-V297 HydrophobicContact CB-CG2 3.77Å; F284-V297 WeakPolarHBondContact O-CG1 3.33Å; I286-V297 HydrophobicContact CD1-CB 4.04Å; I286-V297 HydrophobicContact CD1-CG1 4.21Å; I286-V297 HydrophobicContact CG1-CB 4.07Å; I286-V297 HydrophobicContact CG1-CG1 3.91Å; V297-A304 HydrophobicContact CG2-CB 3.79Å; V297-V305 WeakPolarHBondContact CA-O 3.39Å; V297-V324 HydrophobicContact CG2-CG1 4.5Å
298T89.6Confident91Very high60 Ų6059.6 Ų59.637%0.36833%0.329SS..EExtended strand (participates in β ladder)trans-120.5124.9175.656.90000109.8V305T298-V305 PolarHBondContact N-O 3.01Å; T298-V305 PolarHBondContact O-N 3.15Å; T298-V305 PolarHBondContact OG1-O 2.94Å
299G84Confident91.1Very high47 Ų4760.1 Ų60.149%0.48533%0.332SS..EExtended strand (participates in β ladder)trans-85131.6177.200000112
300R76.3Confident91.4Very high192 Ų19260.3 Ų60.373%0.72532%0.317SS*.EExtended strand (participates in β ladder)trans-127.8100.4164.8-71.7-170.8-177.8-163.82.5109.2R302 E303R300-R302 PolarHBondContact O-N 3Å; R300-E303 PolarHBondContact N-O 3.28Å; R300-E303 PolarHBondContact O-N 3.42Å
301A79.8Confident91.5Very high90 Ų9059 Ų5974%0.74432%0.315SS*.THydrogen-bonded Turntrans53.8-95.3-179.400000112.8
302R87.8Confident91.7Very high154 Ų15458.2 Ų58.258%0.58131%0.311SS*.THydrogen-bonded Turntrans-103.6-2.3-177.5-66.5-178.9174.1179.5-5.4114.3A271 R300A271-R302 PolarHBondContact N-O 3.35Å; A271-R302 VanDerWaalsContact N-O 3.08Å; R300-R302 PolarHBondContact O-N 3Å
303E92.3Very high91.8Very high73 Ų7359.5 Ų59.534%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-114.5136.1-177.6-64.6-174.918000110.9R268 L269 T270 R300R268-E303 IonicContact CZ-OE2 3.6Å; R268-E303 IonicContact NH1-OE2 3.54Å; R268-E303 PolarHBondContact NH1-OE2 2.99Å; L269-E303 CarbonylContact O-C 3.57Å; L269-E303 WeakPolarHBondContact O-CA 3.3Å; T270-E303 HydrophobicContact CG2-CG 4.35Å; R300-E303 PolarHBondContact N-O 3.28Å; R300-E303 PolarHBondContact O-N 3.42Å
304A93.7Very high91.9Very high0 Ų059.5 Ų59.50%031%0.307CS..EExtended strand (participates in β ladder)trans-104.3121.5165.900000108.5R268 L269 F284 V297R268-A304 CarbonylContact C-O 3.56Å; R268-A304 VanDerWaalsContact CA-O 3.32Å; R268-A304 WeakPolarHBondContact CA-O 3.48Å; L269-A304 HydrophobicContact CB-CB 4.02Å; L269-A304 HydrophobicContact CD1-CB 4.31Å; L269-A304 HydrophobicContact CG-CB 4.49Å; L269-A304 PolarHBondContact N-O 3.06Å; L269-A304 PolarHBondContact O-N 2.87Å; F284-A304 HydrophobicContact CB-CB 3.97Å; F284-A304 HydrophobicContact CD1-CB 3.45Å; F284-A304 VanDerWaalsContact CD1-CB 3.45Å; F284-A304 HydrophobicContact CD2-CB 3.72Å; F284-A304 HydrophobicContact CE1-CB 3.74Å; F284-A304 HydrophobicContact CE2-CB 4Å; F284-A304 HydrophobicContact CG-CB 3.42Å; F284-A304 VanDerWaalsContact CG-CB 3.42Å; F284-A304 HydrophobicContact CZ-CB 4Å; V297-A304 HydrophobicContact CG2-CB 3.79Å
305V95.5Very high91.8Very high11 Ų1161.7 Ų61.77%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-100.4119.3178.5-173.60000108.5E265 R268 V297 T298 V307E265-V305 HydrophobicContact CB-CG1 4.4Å; E265-V305 HydrophobicContact CG-CG1 3.61Å; R268-V305 HydrophobicContact CG-CG2 4.31Å; V297-V305 WeakPolarHBondContact CA-O 3.39Å; T298-V305 PolarHBondContact N-O 3.01Å; T298-V305 PolarHBondContact O-N 3.15Å; T298-V305 PolarHBondContact OG1-O 2.94Å; V305-V307 HydrophobicContact CG1-CG2 4.04Å
306I96.1Very high91.5Very high0 Ų069.4 Ų69.40%036%0.355CS..EExtended strand (participates in β ladder)trans-87.9124.7175.2-55.8177.7000107.9F254 V266 G267 L269 F295 N296 F322 V347F254-I306 HydrophobicContact CE2-CD1 4.19Å; V266-I306 HydrophobicContact CB-CB 4.45Å; V266-I306 HydrophobicContact CB-CG2 4.17Å; V266-I306 PolarHBondContact N-O 2.63Å; G267-I306 PolarHBondContact O-N 2.96Å; L269-I306 HydrophobicContact CD1-CD1 4.09Å; L269-I306 HydrophobicContact CD2-CD1 4.41Å; L269-I306 HydrophobicContact CG-CD1 4.16Å; F295-I306 HydrophobicContact CB-CG2 4.12Å; F295-I306 HydrophobicContact CD1-CG2 4.16Å; F295-I306 HydrophobicContact CG-CG2 4.46Å; N296-I306 CarbonylContact O-C 3.53Å; N296-I306 WeakPolarHBondContact O-CA 3.44Å; I306-F322 HydrophobicContact CD1-CE2 4.43Å; I306-F322 HydrophobicContact CD1-CZ 4.4Å; I306-F322 HydrophobicContact CG2-CZ 4.42Å; I306-V347 HydrophobicContact CD1-CB 4.41Å; I306-V347 HydrophobicContact CD1-CG1 3.71Å; I306-V347 HydrophobicContact CD1-CG2 4.08Å
307V95.7Very high91.5Very high30 Ų3067.2 Ų67.218%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-122.6138-175.8-176.90000109.1G263 V264 F295 N296 V305G263-V307 VanDerWaalsContact C-CG1 3.49Å; G263-V307 WeakPolarHBondContact O-CG1 3.44Å; V264-V307 WeakPolarHBondContact O-CA 3.44Å; F295-V307 WeakPolarHBondContact CA-O 3.13Å; N296-V307 PolarHBondContact N-O 3.16Å; N296-V307 PolarHBondContact O-N 3.3Å; V305-V307 HydrophobicContact CG1-CG2 4.04Å
308L96.3Very high91.4Very high2 Ų270.6 Ų70.61%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-72.9130.1175.8-174.463.5000110.6A260 P262 G263 V264 V266 I294 F295 K310 L312A260-L308 HydrophobicContact CB-CD2 3.87Å; A260-L308 WeakPolarHBondContact O-CD2 3.44Å; P262-L308 CarbonylContact C-O 3.5Å; P262-L308 WeakPolarHBondContact CA-O 3.41Å; G263-L308 PolarHBondContact N-O 3.02Å; V264-L308 PolarHBondContact O-N 3.07Å; V266-L308 HydrophobicContact CG2-CB 4.05Å; I294-L308 HydrophobicContact CG2-CD1 4.3Å; F295-L308 HydrophobicContact CD1-CD1 4.2Å; F295-L308 HydrophobicContact CE1-CD1 3.9Å; L308-K310 WeakPolarHBondContact CD1-O 3.37Å; L308-K310 WeakPolarHBondContact CD2-O 3.33Å; L308-K310 WeakPolarHBondContact CG-O 3.45Å; L308-L312 HydrophobicContact CD1-CD1 3.77Å; L308-L312 HydrophobicContact CD1-CD2 3.84Å; L308-L312 HydrophobicContact CD1-CG 3.76Å; L308-L312 HydrophobicContact CD2-CD1 3.8Å; L308-L312 HydrophobicContact CD2-CG 4.08Å; L308-L312 HydrophobicContact CG-CD1 4.46Å
309N94.8Very high91.7Very high81 Ų8169.3 Ų69.343%0.43336%0.356SS..  trans-107.2-25.4180-169.847.6000112.9D293 I294D293-N309 PolarHBondContact O-ND2 2.86Å; I294-N309 WeakPolarHBondContact O-CA 3.08Å; I294-N309 WeakPolarHBondContact O-CB 3.42Å; I294-N309 PolarHBondContact O-N 2.86Å
310K94.3Very high92.3Very high85 Ų8568.6 Ų68.637%0.3734%0.339SS..SBendtrans-125.1157.8179.7-70.3-172.9179.1-176.10112D293 I294 L308D293-K310 WeakPolarHBondContact O-CE 3.4Å; D293-K310 WeakPolarHBondContact OD1-CE 3.07Å; D293-K310 IonicContact OD1-NZ 2.91Å; D293-K310 PolarHBondContact OD1-NZ 2.73Å; D293-K310 WeakPolarHBondContact OD2-CE 3.42Å; D293-K310 IonicContact OD2-NZ 3.41Å; D293-K310 PolarHBondContact OD2-NZ 2.82Å; I294-K310 HydrophobicContact CG1-CD 4.44Å; I294-K310 PolarHBondContact O-N 3.48Å; L308-K310 WeakPolarHBondContact CD1-O 3.37Å; L308-K310 WeakPolarHBondContact CD2-O 3.33Å; L308-K310 WeakPolarHBondContact CG-O 3.45Å
311L93.4Very high93.3Very high129 Ų12963 Ų6368%0.67533%0.326SS*.  trans-63.5146.7167.5-67.4170.2000109.7P262P262-L311 HydrophobicContact CG-CD2 4.39Å; P262-L311 HydrophobicContact CG-CG 4.41Å
312L94.6Very high94.1Very high13 Ų1358.9 Ų58.97%0.06829%0.292CS..  trans-106.3158.7-179.8-62.4168.4000108.9V256 E258 I294 F295 L308 Y320 I351V256-L312 HydrophobicContact CG1-CD1 3.57Å; V256-L312 HydrophobicContact CG2-CD1 4.47Å; E258-L312 HydrophobicContact CB-CB 4.28Å; I294-L312 HydrophobicContact CG2-CD2 3.91Å; F295-L312 HydrophobicContact CZ-CD2 4.45Å; L308-L312 HydrophobicContact CD1-CD1 3.77Å; L308-L312 HydrophobicContact CD1-CD2 3.84Å; L308-L312 HydrophobicContact CD1-CG 3.76Å; L308-L312 HydrophobicContact CD2-CD1 3.8Å; L308-L312 HydrophobicContact CD2-CG 4.08Å; L308-L312 HydrophobicContact CG-CD1 4.46Å; L312-Y320 HydrophobicContact CD2-CE2 3.82Å; L312-I351 HydrophobicContact CD1-CD1 3.76Å; L312-I351 HydrophobicContact CD2-CD1 4.31Å
313D92.6Very high94.5Very high70 Ų7053.5 Ų53.537%0.37428%0.278SS..  trans-141107.8178.7173.8-20.6000106.1E315 M316 C317D313-E315 WeakPolarHBondContact OD1-CB 3.26Å; D313-E315 PolarHBondContact OD1-N 2.83Å; D313-E315 VanDerWaalsContact OD1-N 3.16Å; D313-M316 HydrophobicContact CB-CB 4.01Å; D313-M316 PolarHBondContact O-N 3.46Å; D313-M316 PolarHBondContact OD1-N 2.9Å; D313-C317 PolarHBondContact O-N 2.76Å
314Y94.3Very high94.6Very high81 Ų8150 Ų5032%0.31826%0.261SS..THydrogen-bonded Turntrans-66.9-39.5-175.8173.9-92.3000111.5E258 M316 C317 N318 I351 N353E258-Y314 WeakPolarHBondContact OE2-CB 3.23Å; E258-Y314 PolarHBondContact OE2-N 2.77Å; Y314-M316 PolarHBondContact O-N 2.73Å; Y314-C317 CarbonylContact O-C 3.59Å; Y314-C317 PolarHBondContact O-N 2.83Å; Y314-N318 HydrophobicContact CD2-CB 3.91Å; Y314-N318 HydrophobicContact CE2-CB 3.58Å; Y314-I351 HydrophobicContact CD2-CB 4.06Å; Y314-I351 HydrophobicContact CD2-CG2 4.05Å; Y314-I351 WeakPolarHBondContact CD2-O 3.39Å; Y314-I351 WeakPolarHBondContact CE2-O 3.44Å; Y314-N353 HydrophobicContact CD1-CB 3.74Å; Y314-N353 VanDerWaalsContact CD1-CG 3.46Å; Y314-N353 WeakPolarHBondContact CD1-OD1 3.36Å; Y314-N353 HydrophobicContact CD2-CB 4.1Å; Y314-N353 HydrophobicContact CE1-CB 3.79Å; Y314-N353 HydrophobicContact CE2-CB 4.15Å; Y314-N353 HydrophobicContact CG-CB 3.9Å
315E90.9Very high94.7Very high76 Ų7651.2 Ų51.236%0.35527%0.267SS..THydrogen-bonded Turntrans-60.6-32.3177.6-74.857.3-129.200111.7D313 N353 P387D313-E315 WeakPolarHBondContact OD1-CB 3.26Å; D313-E315 PolarHBondContact OD1-N 2.83Å; D313-E315 VanDerWaalsContact OD1-N 3.16Å; E315-N353 PolarHBondContact OE1-OD1 2.78Å; E315-P387 VanDerWaalsContact CG-O 3.26Å; E315-P387 WeakPolarHBondContact CG-O 3.41Å
316M91.3Very high94.7Very high162 Ų16250.7 Ų50.780%0.79826%0.264SS*.THydrogen-bonded Turntrans-81.7-47.5174.3-172.8174.2-179.700112.7D313 Y314D313-M316 HydrophobicContact CB-CB 4.01Å; D313-M316 PolarHBondContact O-N 3.46Å; D313-M316 PolarHBondContact OD1-N 2.9Å; Y314-M316 PolarHBondContact O-N 2.73Å
317C92.9Very high94.5Very high36 Ų3651.8 Ų51.824%0.24327%0.273CS..  trans-148.4113.8-177.2-168.80000112.7D313 Y314 S319 Y320 I351D313-C317 PolarHBondContact O-N 2.76Å; Y314-C317 CarbonylContact O-C 3.59Å; Y314-C317 PolarHBondContact O-N 2.83Å; C317-S319 PolarHBondContact SG-O 3.27Å; C317-S319 VanDerWaalsContact SG-O 3.33Å; C317-Y320 HydrophobicContact CB-CE1 4.47Å; C317-Y320 HydrophobicContact CB-CE2 4.35Å; C317-I351 WeakPolarHBondContact O-CG1 2.94Å
318N94.3Very high94.2Very high90 Ų9050.5 Ų50.548%0.48127%0.265SS..SBendtrans-88.7-9.9-177.764.326.1000114.9Y314 I351Y314-N318 HydrophobicContact CD2-CB 3.91Å; Y314-N318 HydrophobicContact CE2-CB 3.58Å; N318-I351 PolarHBondContact O-N 3.33Å
319S95.9Very high93.6Very high33 Ų3353.3 Ų53.323%0.23128%0.283CS..EExtended strand (participates in β ladder)trans-161.114417559.90000113.6C317 V349C317-S319 PolarHBondContact SG-O 3.27Å; C317-S319 VanDerWaalsContact SG-O 3.33Å; S319-V349 CarbonylContact C-O 3.6Å; S319-V349 VanDerWaalsContact CA-O 3.22Å; S319-V349 WeakPolarHBondContact CA-O 3.4Å; S319-V349 WeakPolarHBondContact CB-O 3.47Å
320Y96.1Very high93.1Very high33 Ų3352 Ų5213%0.12928%0.278CS..EExtended strand (participates in β ladder)trans-113.2138.7174.7-62.9-89.7000109.7E291 I294 F295 L312 C317 R348 V349 I351E291-Y320 HydrophobicContact CG-CD1 4.35Å; I294-Y320 HydrophobicContact CD1-CD1 4.26Å; I294-Y320 HydrophobicContact CD1-CE1 3.52Å; F295-Y320 HydrophobicContact CE2-CD1 4.02Å; F295-Y320 AromaticContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CD2 3.81Å; F295-Y320 HydrophobicContact CE2-CE2 4.45Å; F295-Y320 AromaticContact CE2-CG 3.56Å; F295-Y320 HydrophobicContact CE2-CG 3.56Å; F295-Y320 AromaticContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CD2 3.7Å; F295-Y320 HydrophobicContact CZ-CE2 4.29Å; F295-Y320 AromaticContact CZ-CG 3.94Å; F295-Y320 HydrophobicContact CZ-CG 3.94Å; L312-Y320 HydrophobicContact CD2-CE2 3.82Å; C317-Y320 HydrophobicContact CB-CE1 4.47Å; C317-Y320 HydrophobicContact CB-CE2 4.35Å; Y320-R348 CarbonylContact O-C 3.57Å; Y320-R348 WeakPolarHBondContact O-CA 3.41Å; Y320-V349 PolarHBondContact N-O 2.66Å; Y320-V349 PolarHBondContact O-N 3.06Å; Y320-I351 HydrophobicContact CD2-CD1 3.9Å; Y320-I351 HydrophobicContact CD2-CG1 4.13Å; Y320-I351 HydrophobicContact CE2-CD1 3.93Å; Y320-I351 HydrophobicContact CE2-CG1 3.91Å
321T96.4Very high92.4Very high73 Ų7351.5 Ų51.545%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-132.9116.1175.1-560000109.1T346 V347T321-T346 HydrophobicContact CG2-CG2 3.69Å; T321-V347 WeakPolarHBondContact CA-O 3.47Å
322F96.1Very high91.6Very high5 Ų546.7 Ų46.72%0.02226%0.257CS..EExtended strand (participates in β ladder)trans-141.3164.2-178.254.4-91.2000111.1I286 D288 E291 F295 I306 V324 V347 V349I286-F322 HydrophobicContact CD1-CE2 4.21Å; I286-F322 HydrophobicContact CG1-CD2 4.31Å; I286-F322 HydrophobicContact CG1-CE2 4.11Å; I286-F322 HydrophobicContact CG2-CD2 3.82Å; I286-F322 HydrophobicContact CG2-CE2 4.37Å; I286-F322 HydrophobicContact CG2-CG 4.38Å; D288-F322 HydrophobicContact CB-CB 4.24Å; E291-F322 HydrophobicContact CB-CB 4.02Å; E291-F322 HydrophobicContact CB-CD1 3.97Å; E291-F322 HydrophobicContact CB-CG 4.07Å; E291-F322 HydrophobicContact CG-CB 3.98Å; E291-F322 HydrophobicContact CG-CD1 3.88Å; E291-F322 HydrophobicContact CG-CG 4.23Å; F295-F322 HydrophobicContact CB-CZ 4.21Å; F295-F322 HydrophobicContact CD2-CD1 4.3Å; F295-F322 AromaticContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CE1 3.58Å; F295-F322 HydrophobicContact CD2-CZ 4.08Å; F295-F322 AromaticContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CE2-CE1 3.91Å; F295-F322 HydrophobicContact CG-CE1 4.05Å; F295-F322 HydrophobicContact CG-CZ 4.09Å; I306-F322 HydrophobicContact CD1-CE2 4.43Å; I306-F322 HydrophobicContact CD1-CZ 4.4Å; I306-F322 HydrophobicContact CG2-CZ 4.42Å; F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.74Å; F322-V347 HydrophobicContact CD2-CB 4.29Å; F322-V347 HydrophobicContact CE2-CB 3.93Å; F322-V347 HydrophobicContact CE2-CG1 4.24Å; F322-V347 HydrophobicContact CE2-CG2 4.39Å; F322-V347 HydrophobicContact CZ-CB 4.14Å; F322-V347 HydrophobicContact CZ-CG1 4Å; F322-V347 PolarHBondContact N-O 2.92Å; F322-V347 PolarHBondContact O-N 2.81Å; F322-V349 HydrophobicContact CE1-CG2 3.97Å; F322-V349 HydrophobicContact CZ-CG2 4.24Å
323S96.4Very high91Very high41 Ų4150.9 Ų50.929%0.28729%0.285SS..EExtended strand (participates in β ladder)trans-101133.1177.4-66.80000110.9L287 A345L287-S323 PolarHBondContact N-O 2.94Å; S323-A345 WeakPolarHBondContact CA-O 3.48Å
324V96.2Very high90.4Very high0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-106.2127.2170.6-176.40000108.2F247 L269 T285 I286 V297 F322 Q344 A345 V347F247-V324 VanDerWaalsContact CE2-O 3.3Å; F247-V324 WeakPolarHBondContact CE2-O 3.42Å; F247-V324 HydrophobicContact CZ-CB 4.41Å; F247-V324 HydrophobicContact CZ-CG1 4.08Å; L269-V324 HydrophobicContact CD1-CB 3.84Å; L269-V324 HydrophobicContact CD1-CG1 3.78Å; L269-V324 HydrophobicContact CD1-CG2 3.89Å; T285-V324 CarbonylContact O-C 3.54Å; T285-V324 WeakPolarHBondContact O-CA 3.13Å; T285-V324 WeakPolarHBondContact O-CG1 3.41Å; I286-V324 HydrophobicContact CG1-CG2 4.15Å; V297-V324 HydrophobicContact CG2-CG1 4.5Å; F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.74Å; V324-Q344 WeakPolarHBondContact O-CA 3.5Å; V324-A345 PolarHBondContact N-O 2.83Å; V324-A345 PolarHBondContact O-N 3.45Å; V324-V347 HydrophobicContact CB-CG2 4.42Å; V324-V347 HydrophobicContact CG2-CG2 3.67Å
325E95.2Very high89.7Confident25 Ų2553 Ų5312%0.11729%0.288CS..EExtended strand (participates in β ladder)trans-96.8133.8173-173.6168.792.700109.3F284 T285 L287 K342 D343 Q344F284-E325 CarbonylContact C-O 3.56Å; F284-E325 WeakPolarHBondContact CA-O 3.45Å; T285-E325 PolarHBondContact N-O 2.81Å; T285-E325 PolarHBondContact O-N 3.49Å; L287-E325 HydrophobicContact CD1-CB 4.1Å; L287-E325 HydrophobicContact CD2-CB 3.77Å; L287-E325 HydrophobicContact CG-CB 3.94Å; E325-K342 HydrophobicContact CG-CB 4.19Å; E325-K342 IonicContact OE1-NZ 2.8Å; E325-K342 WeakPolarHBondContact OE2-CD 3.38Å; E325-K342 WeakPolarHBondContact OE2-CE 3.36Å; E325-K342 IonicContact OE2-NZ 2.75Å; E325-K342 PolarHBondContact OE2-NZ 3.02Å; E325-D343 CarbonylContact C-O 3.47Å; E325-D343 WeakPolarHBondContact CA-O 3.48Å; E325-Q344 HydrophobicContact CB-CG 4.1Å; E325-Q344 HydrophobicContact CG-CG 4.08Å; E325-Q344 PolarHBondContact OE2-NE2 3.25Å
326V94.5Very high89.1Confident0 Ų054 Ų540%030%0.295CS..EExtended strand (participates in β ladder)trans-104.2133.116263.70000107.5P245 F247 A271 L282 E283 F284 K342 D343P245-V326 HydrophobicContact CB-CG1 4.24Å; P245-V326 HydrophobicContact CB-CG2 4.2Å; P245-V326 HydrophobicContact CG-CG1 4.45Å; F247-V326 HydrophobicContact CD2-CB 4.47Å; F247-V326 HydrophobicContact CD2-CG1 3.72Å; F247-V326 HydrophobicContact CE1-CB 4.23Å; F247-V326 HydrophobicContact CE1-CG1 4.36Å; F247-V326 HydrophobicContact CE2-CB 3.76Å; F247-V326 HydrophobicContact CE2-CG1 3.43Å; F247-V326 VanDerWaalsContact CE2-CG1 3.43Å; F247-V326 HydrophobicContact CG-CG1 4.32Å; F247-V326 HydrophobicContact CZ-CB 3.61Å; F247-V326 HydrophobicContact CZ-CG1 3.79Å; A271-V326 HydrophobicContact CB-CB 4.35Å; A271-V326 HydrophobicContact CB-CG1 4.18Å; A271-V326 HydrophobicContact CB-CG2 4.01Å; L282-V326 HydrophobicContact CB-CG2 3.96Å; L282-V326 HydrophobicContact CD1-CG2 4.3Å; L282-V326 HydrophobicContact CD2-CG2 3.77Å; L282-V326 HydrophobicContact CG-CG2 4.23Å; E283-V326 CarbonylContact O-C 3.57Å; E283-V326 WeakPolarHBondContact O-CA 3.27Å; F284-V326 HydrophobicContact CD1-CB 3.74Å; F284-V326 HydrophobicContact CD1-CG2 3.77Å; F284-V326 HydrophobicContact CE1-CB 3.64Å; F284-V326 HydrophobicContact CE1-CG2 3.38Å; F284-V326 HydrophobicContact CZ-CG2 3.9Å; V326-K342 CarbonylContact O-C 3.59Å; V326-K342 WeakPolarHBondContact O-CA 3.34Å; V326-K342 WeakPolarHBondContact O-CB 3.42Å; V326-D343 HydrophobicContact CG1-CB 3.9Å; V326-D343 PolarHBondContact N-O 3.03Å; V326-D343 PolarHBondContact O-N 2.75Å
327A92.3Very high88.5Confident22 Ų2258.1 Ų58.118%0.18230%0.301CS..EExtended strand (participates in β ladder)trans-136.1150.7177.700000110.5E283 F341 K342E283-A327 PolarHBondContact N-O 3.13Å; E283-A327 PolarHBondContact O-N 2.89Å; A327-F341 WeakPolarHBondContact CA-O 3.21Å; A327-K342 HydrophobicContact CB-CB 3.92Å
328N90.4Very high87.6Confident3 Ų360.8 Ų60.82%0.01631%0.309CS..  trans-97.8117.8166.8-170.8-42.1000108.4N241 P245 D273 N279 Q281 V330 F341N241-N328 VanDerWaalsContact ND2-CG 3.27Å; N241-N328 PolarHBondContact ND2-ND2 3.43Å; N241-N328 VanDerWaalsContact ND2-ND2 3.2Å; N241-N328 PolarHBondContact ND2-OD1 2.75Å; P245-N328 HydrophobicContact CG-CB 4.27Å; D273-N328 PolarHBondContact OD2-ND2 3.22Å; N279-N328 PolarHBondContact O-ND2 2.72Å; Q281-N328 WeakPolarHBondContact O-CA 3.05Å; N328-V330 PolarHBondContact O-N 2.83Å; N328-V330 PolarHBondContact OD1-N 2.91Å; N328-V330 PolarHBondContact OD1-O 3.39Å; N328-F341 HydrophobicContact CB-CB 4.46Å; N328-F341 PolarHBondContact N-O 2.97Å
329P83.9Confident86.2Confident61 Ų6157.1 Ų57.140%0.39629%0.292SS..SBendtrans-70.4-22.1-175.228.8-34.3000112.5Q281 E283 V331Q281-P329 HydrophobicContact CG-CG 4.4Å; Q281-P329 WeakPolarHBondContact O-CD 3.35Å; E283-P329 HydrophobicContact CG-CG 4.2Å; P329-V331 PolarHBondContact O-N 3.26Å
330V83.9Confident85Confident53 Ų5359.9 Ų59.932%0.32131%0.309SS..  trans-86.2106.8178.5-178.40000108.3N241 E278 N328N241-V330 PolarHBondContact ND2-O 2.67Å; E278-V330 HydrophobicContact CB-CG2 4.21Å; N328-V330 PolarHBondContact O-N 2.83Å; N328-V330 PolarHBondContact OD1-N 2.91Å; N328-V330 PolarHBondContact OD1-O 3.39Å
331V78.3Confident84.4Confident76 Ų7659 Ų5946%0.46131%0.306SS..  trans-107.4122.3178.6177.70000110P329 P333 I336 F341P329-V331 PolarHBondContact O-N 3.26Å; V331-P333 WeakPolarHBondContact O-CD 3.36Å; V331-I336 HydrophobicContact CG1-CG1 4.1Å; V331-F341 HydrophobicContact CB-CD2 4.43Å; V331-F341 HydrophobicContact CG1-CD2 3.76Å; V331-F341 HydrophobicContact CG1-CE2 3.9Å; V331-F341 HydrophobicContact CG2-CB 4.36Å; V331-F341 HydrophobicContact CG2-CD2 4.24Å
332D77.8Confident84.1Confident27 Ų2760 Ų6014%0.14430%0.304CS..  trans-88.7116.7168.9-169.9-32.9000110.6R334 F335 I336D332-R334 PolarHBondContact O-N 2.82Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.47Å; D332-R334 WeakPolarHBondContact OD1-CG 3.49Å; D332-R334 PolarHBondContact OD1-N 2.85Å; D332-R334 IonicContact OD1-NE 3.57Å; D332-R334 PolarHBondContact OD1-NE 2.81Å; D332-R334 VanDerWaalsContact OD1-NE 3.1Å; D332-R334 IonicContact OD2-CZ 2.55Å; D332-R334 VanDerWaalsContact OD2-CZ 3.28Å; D332-R334 IonicContact OD2-NE 3.06Å; D332-R334 PolarHBondContact OD2-NE 2.84Å; D332-R334 VanDerWaalsContact OD2-NE 3.1Å; D332-R334 IonicContact OD2-NH2 3.15Å; D332-R334 PolarHBondContact OD2-NH2 3.03Å; D332-F335 HydrophobicContact CB-CD2 3.92Å; D332-F335 PolarHBondContact O-N 2.86Å; D332-I336 PolarHBondContact O-N 3.44Å
333P80.6Confident84Confident101 Ų10162 Ų6266%0.65632%0.315SS*.THydrogen-bonded Turntrans-56.8-25.6179.9-25.835.2000115.1V331 F335 I336V331-P333 WeakPolarHBondContact O-CD 3.36Å; P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.91Å; P333-I336 HydrophobicContact CB-CD1 4.21Å
334R80.3Confident84Confident171 Ų17164.3 Ų64.365%0.64532%0.322SS*.THydrogen-bonded Turntrans-69.8-28.3-179.5-62175.7-70.6173.30.4112D332D332-R334 PolarHBondContact O-N 2.82Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.47Å; D332-R334 WeakPolarHBondContact OD1-CG 3.49Å; D332-R334 PolarHBondContact OD1-N 2.85Å; D332-R334 IonicContact OD1-NE 3.57Å; D332-R334 PolarHBondContact OD1-NE 2.81Å; D332-R334 VanDerWaalsContact OD1-NE 3.1Å; D332-R334 IonicContact OD2-CZ 2.55Å; D332-R334 VanDerWaalsContact OD2-CZ 3.28Å; D332-R334 IonicContact OD2-NE 3.06Å; D332-R334 PolarHBondContact OD2-NE 2.84Å; D332-R334 VanDerWaalsContact OD2-NE 3.1Å; D332-R334 IonicContact OD2-NH2 3.15Å; D332-R334 PolarHBondContact OD2-NH2 3.03Å
335F79.6Confident84Confident25 Ų2564.4 Ų64.411%0.1132%0.322CS..THydrogen-bonded Turntrans-112.19.9-172.8-56.1-79.4000113.7M150 V240 D242 D332 P333 R337 K338 F341M150-F335 HydrophobicContact CB-CE1 4.04Å; M150-F335 HydrophobicContact CB-CZ 4.17Å; M150-F335 HydrophobicContact CE-CE1 4.17Å; M150-F335 HydrophobicContact CG-CE1 4.36Å; M150-F335 HydrophobicContact SD-CD1 3.99Å; M150-F335 HydrophobicContact SD-CE1 3.44Å; M150-F335 WeakPolarHBondContact SD-CE1 3.13Å; M150-F335 HydrophobicContact SD-CZ 4.31Å; V240-F335 HydrophobicContact CB-CE2 4.49Å; V240-F335 HydrophobicContact CG1-CD2 3.55Å; V240-F335 HydrophobicContact CG1-CE2 3.09Å; V240-F335 HydrophobicContact CG1-CG 4.49Å; V240-F335 HydrophobicContact CG1-CZ 3.68Å; D242-F335 HydrophobicContact CB-CB 4.41Å; D242-F335 HydrophobicContact CB-CD1 3.96Å; D242-F335 HydrophobicContact CB-CE1 4.45Å; D242-F335 HydrophobicContact CB-CG 4.06Å; D332-F335 HydrophobicContact CB-CD2 3.92Å; D332-F335 PolarHBondContact O-N 2.86Å; P333-F335 VanDerWaalsContact C-N 3.28Å; P333-F335 PolarHBondContact O-N 2.91Å; F335-R337 PolarHBondContact O-N 3.32Å; F335-K338 HydrophobicContact CD1-CD 4.37Å; F335-K338 WeakPolarHBondContact O-CB 3.35Å; F335-K338 PolarHBondContact O-N 2.9Å; F335-F341 HydrophobicContact CB-CZ 3.98Å
336I78.1Confident84.1Confident98 Ų9866.1 Ų66.150%0.50334%0.335SS..THydrogen-bonded Turntrans-50.8-28.3173.8-69.6173.1000113.1V331 D332 P333 K338 F341V331-I336 HydrophobicContact CG1-CG1 4.1Å; D332-I336 PolarHBondContact O-N 3.44Å; P333-I336 HydrophobicContact CB-CD1 4.21Å; I336-K338 VanDerWaalsContact C-N 3.35Å; I336-F341 HydrophobicContact CG1-CE2 4.45Å
337R78.8Confident84.2Confident248 Ų24866.1 Ų66.194%0.93634%0.335SS*.THydrogen-bonded Turntrans-75.4-20.5177.9-66.1-174.2-175.9-86.9-0.4113.8F335 G339F335-R337 PolarHBondContact O-N 3.32Å; R337-G339 VanDerWaalsContact C-N 3.3Å
338K74.9Confident84.5Confident91 Ų9171 Ų7140%0.39635%0.348SS..THydrogen-bonded Turntrans-73.6-23.2178.6-79.6-159.2170.7-1690112.6M150 D242 F335 I336M150-K338 VanDerWaalsContact SD-CE 3.58Å; M150-K338 PolarHBondContact SD-NZ 3.4Å; D242-K338 HydrophobicContact CB-CD 4Å; D242-K338 WeakPolarHBondContact O-CD 3.23Å; D242-K338 IonicContact OD2-NZ 3.7Å; D242-K338 PolarHBondContact OD2-NZ 3.39Å; F335-K338 HydrophobicContact CD1-CD 4.37Å; F335-K338 WeakPolarHBondContact O-CB 3.35Å; F335-K338 PolarHBondContact O-N 2.9Å; I336-K338 VanDerWaalsContact C-N 3.35Å
339G64.6Low84.8Confident13 Ų1370.9 Ų70.913%0.13435%0.348CS..  trans172.4168.5165.500000112.6R337 F341R337-G339 VanDerWaalsContact C-N 3.3Å; G339-F341 PolarHBondContact O-N 3.45Å
340P70.8Confident85.4Confident92 Ų9271.7 Ų71.760%0.59735%0.347SS*.  trans-59.2124.2153.230-30.8000106.5P244 K342P244-P340 WeakPolarHBondContact CB-O 3.38Å; P340-K342 HydrophobicContact CB-CG 3.8Å; P340-K342 PolarHBondContact O-N 2.93Å
341F84Confident86Confident14 Ų1469.5 Ų69.56%0.06133%0.333CS..SBendtrans-7143.6173.2-67.7-81.8000111.3N241 A327 N328 V331 F335 I336 G339N241-F341 HydrophobicContact CB-CE1 4.36Å; N241-F341 WeakPolarHBondContact O-CE1 3.47Å; N241-F341 WeakPolarHBondContact O-CZ 3.11Å; N241-F341 VanDerWaalsContact OD1-CD1 3.27Å; N241-F341 WeakPolarHBondContact OD1-CD1 3.35Å; N241-F341 WeakPolarHBondContact OD1-CE1 3.36Å; A327-F341 WeakPolarHBondContact CA-O 3.21Å; N328-F341 HydrophobicContact CB-CB 4.46Å; N328-F341 PolarHBondContact N-O 2.97Å; V331-F341 HydrophobicContact CB-CD2 4.43Å; V331-F341 HydrophobicContact CG1-CD2 3.76Å; V331-F341 HydrophobicContact CG1-CE2 3.9Å; V331-F341 HydrophobicContact CG2-CB 4.36Å; V331-F341 HydrophobicContact CG2-CD2 4.24Å; F335-F341 HydrophobicContact CB-CZ 3.98Å; I336-F341 HydrophobicContact CG1-CE2 4.45Å; G339-F341 PolarHBondContact O-N 3.45Å
342K89.8Confident86.9Confident93 Ų9370 Ų7040%0.40433%0.333SS..EExtended strand (participates in β ladder)trans-161.1148.2-175.861.3-175.7-151.8146.60110.8E325 V326 A327 P340E325-K342 HydrophobicContact CG-CB 4.19Å; E325-K342 IonicContact OE1-NZ 2.8Å; E325-K342 WeakPolarHBondContact OE2-CD 3.38Å; E325-K342 WeakPolarHBondContact OE2-CE 3.36Å; E325-K342 IonicContact OE2-NZ 2.75Å; E325-K342 PolarHBondContact OE2-NZ 3.02Å; V326-K342 CarbonylContact O-C 3.59Å; V326-K342 WeakPolarHBondContact O-CA 3.34Å; V326-K342 WeakPolarHBondContact O-CB 3.42Å; A327-K342 HydrophobicContact CB-CB 3.92Å; P340-K342 HydrophobicContact CB-CG 3.8Å; P340-K342 PolarHBondContact O-N 2.93Å
343D93.9Very high87.6Confident48 Ų4872 Ų7226%0.25734%0.344SS..EExtended strand (participates in β ladder)trans-138.7159.1176.3-175.328.7000110P245 H246 F247 E325 V326P245-D343 WeakPolarHBondContact O-CB 3.34Å; H246-D343 WeakPolarHBondContact CA-OD2 3.21Å; H246-D343 IonicContact ND1-OD2 3.07Å; F247-D343 HydrophobicContact CD2-CB 4.38Å; F247-D343 WeakPolarHBondContact CE2-O 3.48Å; F247-D343 PolarHBondContact N-OD2 3.41Å; E325-D343 CarbonylContact C-O 3.47Å; E325-D343 WeakPolarHBondContact CA-O 3.48Å; V326-D343 HydrophobicContact CG1-CB 3.9Å; V326-D343 PolarHBondContact N-O 3.03Å; V326-D343 PolarHBondContact O-N 2.75Å
344Q95.4Very high88.2Confident90 Ų9068.2 Ų68.242%0.42132%0.321SS..EExtended strand (participates in β ladder)trans-130.5137-175.2-64.8-178.91.400111L287 V324 E325L287-Q344 HydrophobicContact CD1-CG 4.17Å; L287-Q344 VanDerWaalsContact CD1-NE2 3.32Å; V324-Q344 WeakPolarHBondContact O-CA 3.5Å; E325-Q344 HydrophobicContact CB-CG 4.1Å; E325-Q344 HydrophobicContact CG-CG 4.08Å; E325-Q344 PolarHBondContact OE2-NE2 3.25Å
345A96.3Very high88.6Confident1 Ų163.2 Ų63.21%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-125.1140.2172.700000110.9F247 S250 S323 V324F247-A345 HydrophobicContact CB-CB 4.09Å; F247-A345 HydrophobicContact CD1-CB 4.18Å; F247-A345 HydrophobicContact CD2-CB 3.52Å; F247-A345 HydrophobicContact CE2-CB 3.87Å; F247-A345 HydrophobicContact CG-CB 3.67Å; F247-A345 HydrophobicContact CZ-CB 4.36Å; S250-A345 WeakPolarHBondContact O-CA 3.47Å; S323-A345 WeakPolarHBondContact CA-O 3.48Å; V324-A345 PolarHBondContact N-O 2.83Å; V324-A345 PolarHBondContact O-N 3.45Å
346T97.4Very high89.1Confident62 Ų6264.4 Ų64.438%0.3831%0.313SS..EExtended strand (participates in β ladder)trans-83127.8174-53.80000109.8S250 A251 W252 T321S250-T346 PolarHBondContact O-N 2.99Å; A251-T346 CarbonylContact C-O 3.56Å; A251-T346 VanDerWaalsContact CA-O 3.26Å; A251-T346 WeakPolarHBondContact CA-O 3.39Å; W252-T346 PolarHBondContact N-O 2.86Å; T321-T346 HydrophobicContact CG2-CG2 3.69Å
347V97.6Very high89.8Confident0 Ų062.3 Ų62.30%031%0.305CS..EExtended strand (participates in β ladder)trans-111.9127176.2-177.30000109W252 F254 L269 I306 T321 F322 V324 V349W252-V347 HydrophobicContact CB-CG2 4.41Å; F254-V347 HydrophobicContact CD2-CG1 3.84Å; F254-V347 HydrophobicContact CE2-CG1 3.99Å; L269-V347 HydrophobicContact CD1-CG2 3.96Å; L269-V347 HydrophobicContact CD2-CG2 3.84Å; I306-V347 HydrophobicContact CD1-CB 4.41Å; I306-V347 HydrophobicContact CD1-CG1 3.71Å; I306-V347 HydrophobicContact CD1-CG2 4.08Å; T321-V347 WeakPolarHBondContact CA-O 3.47Å; F322-V347 HydrophobicContact CD2-CB 4.29Å; F322-V347 HydrophobicContact CE2-CB 3.93Å; F322-V347 HydrophobicContact CE2-CG1 4.24Å; F322-V347 HydrophobicContact CE2-CG2 4.39Å; F322-V347 HydrophobicContact CZ-CB 4.14Å; F322-V347 HydrophobicContact CZ-CG1 4Å; F322-V347 PolarHBondContact N-O 2.92Å; F322-V347 PolarHBondContact O-N 2.81Å; V324-V347 HydrophobicContact CB-CG2 4.42Å; V324-V347 HydrophobicContact CG2-CG2 3.67Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å
348R97.4Very high90.6Very high125 Ų12550.6 Ų50.647%0.47226%0.261SS..EExtended strand (participates in β ladder)trans-112.9114.9173.1-172.3177.1-174.6-163.2-0.5110.4W252 S253 F254 Y320W252-R348 PolarHBondContact O-N 2.99Å; S253-R348 CarbonylContact C-O 3.55Å; S253-R348 VanDerWaalsContact CA-O 3.23Å; S253-R348 WeakPolarHBondContact CA-O 3.47Å; F254-R348 PolarHBondContact N-O 2.85Å; Y320-R348 CarbonylContact O-C 3.57Å; Y320-R348 WeakPolarHBondContact O-CA 3.41Å
349V97.3Very high91.5Very high0 Ų054.2 Ų54.20%027%0.273CS..EExtended strand (participates in β ladder)trans-102119.8175.5-174.10000108.5V256 V266 F295 S319 Y320 F322 V347 I351V256-V349 HydrophobicContact CG1-CG1 3.68Å; V266-V349 HydrophobicContact CG1-CG1 3.67Å; V266-V349 HydrophobicContact CG1-CG2 3.98Å; F295-V349 HydrophobicContact CE1-CB 4.48Å; F295-V349 HydrophobicContact CE1-CG1 4.14Å; F295-V349 HydrophobicContact CE1-CG2 4.29Å; F295-V349 HydrophobicContact CZ-CB 4.23Å; F295-V349 HydrophobicContact CZ-CG1 4.17Å; F295-V349 HydrophobicContact CZ-CG2 4.33Å; S319-V349 CarbonylContact C-O 3.6Å; S319-V349 VanDerWaalsContact CA-O 3.22Å; S319-V349 WeakPolarHBondContact CA-O 3.4Å; S319-V349 WeakPolarHBondContact CB-O 3.47Å; Y320-V349 PolarHBondContact N-O 2.66Å; Y320-V349 PolarHBondContact O-N 3.06Å; F322-V349 HydrophobicContact CE1-CG2 3.97Å; F322-V349 HydrophobicContact CZ-CG2 4.24Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å; V349-I351 HydrophobicContact CG1-CD1 4.12Å
350M96.9Very high93Very high77 Ų7754.4 Ų54.438%0.37927%0.27SS..EExtended strand (participates in β ladder)trans-92.7128.4174.1-62.9-174.7-67.400109.4F254 S255 V256F254-M350 PolarHBondContact O-N 2.97Å; S255-M350 CarbonylContact C-O 3.43Å; S255-M350 WeakPolarHBondContact CA-O 3.29Å; V256-M350 PolarHBondContact N-O 3.25Å
351I96.9Very high94.1Very high7 Ų753.3 Ų53.34%0.03627%0.265CS..EExtended strand (participates in β ladder)trans-85.6129.4174.9-50.8-42.5000108.2V256 E258 L312 Y314 C317 N318 Y320 V349V256-I351 HydrophobicContact CG1-CD1 3.66Å; V256-I351 CarbonylContact O-C 3.46Å; V256-I351 WeakPolarHBondContact O-CA 3.29Å; E258-I351 HydrophobicContact CB-CG2 3.88Å; L312-I351 HydrophobicContact CD1-CD1 3.76Å; L312-I351 HydrophobicContact CD2-CD1 4.31Å; Y314-I351 HydrophobicContact CD2-CB 4.06Å; Y314-I351 HydrophobicContact CD2-CG2 4.05Å; Y314-I351 WeakPolarHBondContact CD2-O 3.39Å; Y314-I351 WeakPolarHBondContact CE2-O 3.44Å; C317-I351 WeakPolarHBondContact O-CG1 2.94Å; N318-I351 PolarHBondContact O-N 3.33Å; Y320-I351 HydrophobicContact CD2-CD1 3.9Å; Y320-I351 HydrophobicContact CD2-CG1 4.13Å; Y320-I351 HydrophobicContact CE2-CD1 3.93Å; Y320-I351 HydrophobicContact CE2-CG1 3.91Å; V349-I351 HydrophobicContact CG1-CD1 4.12Å
352L95.9Very high94.6Very high86 Ų8657.7 Ų57.745%0.4529%0.285SS..EExtended strand (participates in β ladder)trans-94.5119.8176.4-57.5176.6000108.9V256 E258V256-L352 PolarHBondContact O-N 3.13Å; E258-L352 PolarHBondContact N-O 2.75Å
353N93.7Very high94.7Very high71 Ų7157.3 Ų57.338%0.3830%0.299SS..PPolyproline II helixtrans-60.2140.9175.1-157.946.7000111.1E258 Y314 E315 D388E258-N353 VanDerWaalsContact OE1-CA 3.32Å; E258-N353 WeakPolarHBondContact OE1-CA 3.32Å; E258-N353 PolarHBondContact OE1-OD1 2.84Å; Y314-N353 HydrophobicContact CD1-CB 3.74Å; Y314-N353 VanDerWaalsContact CD1-CG 3.46Å; Y314-N353 WeakPolarHBondContact CD1-OD1 3.36Å; Y314-N353 HydrophobicContact CD2-CB 4.1Å; Y314-N353 HydrophobicContact CE1-CB 3.79Å; Y314-N353 HydrophobicContact CE2-CB 4.15Å; Y314-N353 HydrophobicContact CG-CB 3.9Å; E315-N353 PolarHBondContact OE1-OD1 2.78Å; N353-D388 PolarHBondContact ND2-OD1 2.74Å
354A91.9Very high94.8Very high20 Ų2058 Ų5817%0.16531%0.305CS..  trans-144134.8176.300000110.4E258 L259 E356E258-A354 HydrophobicContact CG-CB 4.41Å; E258-A354 PolarHBondContact OE1-N 3.18Å; L259-A354 HydrophobicContact CD1-CB 3.55Å; L259-A354 HydrophobicContact CG-CB 3.77Å; A354-E356 WeakPolarHBondContact O-CG 3.37Å; A354-E356 PolarHBondContact O-N 2.84Å
355D89.9Confident94.9Very high66 Ų6654.1 Ų54.135%0.35329%0.287SS..  trans-53.5118.3-176.2-168.525.9000112.4Q440 N443 L446D355-Q440 PolarHBondContact OD1-NE2 3.43Å; D355-Q440 PolarHBondContact OD1-OE1 3.27Å; D355-Q440 PolarHBondContact OD2-OE1 3.05Å; D355-N443 PolarHBondContact OD2-ND2 3.36Å; D355-L446 HydrophobicContact CB-CD1 3.94Å; D355-L446 WeakPolarHBondContact O-CD1 3.14Å; D355-L446 WeakPolarHBondContact OD2-CD1 3.48Å
356E90.3Very high94.9Very high50 Ų5060.7 Ų60.723%0.23432%0.317CS..  trans-105152.3-174.8-70.1-155.611400112.7A354 P387 D388 Q440A354-E356 WeakPolarHBondContact O-CG 3.37Å; A354-E356 PolarHBondContact O-N 2.84Å; E356-P387 HydrophobicContact CB-CB 4.09Å; E356-P387 HydrophobicContact CB-CG 3.95Å; E356-P387 WeakPolarHBondContact OE2-CB 3.09Å; E356-D388 PolarHBondContact N-OD2 2.85Å; E356-Q440 PolarHBondContact O-NE2 2.86Å
357P92.5Very high94.8Very high54 Ų5459 Ų5935%0.35131%0.306SS..PPolyproline II helixtrans-64.8148.5174.228.8-34.4000112.4R359 P387 L446P357-R359 PolarHBondContact O-N 2.85Å; P357-P387 WeakPolarHBondContact O-CD 3.47Å; P357-P387 WeakPolarHBondContact O-CG 3.22Å; P357-L446 HydrophobicContact CB-CB 4.32Å
358P94.4Very high94.7Very high2 Ų263.7 Ų63.71%0.01333%0.33CS..PPolyproline II helixtrans-53135.7178.2-26.734.7000111.9A384 V385 I395 A438 Q440 S448P358-A384 HydrophobicContact CB-CB 4.34Å; P358-V385 CarbonylContact C-O 3.59Å; P358-I395 HydrophobicContact CB-CD1 4.05Å; P358-I395 HydrophobicContact CB-CG1 4.22Å; P358-I395 HydrophobicContact CB-CG2 4.43Å; P358-I395 HydrophobicContact CG-CG1 4.32Å; P358-A438 HydrophobicContact CB-CB 4.03Å; P358-A438 HydrophobicContact CG-CB 4.47Å; P358-Q440 HydrophobicContact CG-CG 3.78Å; P358-S448 WeakPolarHBondContact O-CB 2.8Å; P358-S448 PolarHBondContact O-OG 3.18Å
359R94.2Very high94.5Very high167 Ų16758 Ų5863%0.6331%0.309SS*.EExtended strand (participates in β ladder)trans-101.7118.5180-178.1171.4174-98.2-0.7111.3P357 A384 V385 P387P357-R359 PolarHBondContact O-N 2.85Å; R359-A384 CarbonylContact O-C 3.6Å; R359-A384 WeakPolarHBondContact O-CA 3.13Å; R359-V385 PolarHBondContact N-O 3.17Å; R359-V385 PolarHBondContact O-N 3.4Å; R359-P387 HydrophobicContact CB-CG 3.97Å
360F95.9Very high94.3Very high18 Ų1859.7 Ų59.78%0.07932%0.321CS..EExtended strand (participates in β ladder)trans-66.9146.8171.1-75.4-84.6000111.4Q362 Y365 V382 H383 A384 Y397 V436 A438 S448 A450F360-Q362 WeakPolarHBondContact CB-O 3.49Å; F360-Q362 PolarHBondContact O-N 2.86Å; F360-Y365 HydrophobicContact CB-CE2 4.41Å; F360-Y365 HydrophobicContact CD1-CE2 4.08Å; F360-V382 HydrophobicContact CD1-CB 4.43Å; F360-V382 HydrophobicContact CE1-CB 4.19Å; F360-V382 HydrophobicContact CE1-CG2 4.09Å; F360-H383 CarbonylContact C-O 3.5Å; F360-H383 WeakPolarHBondContact CA-O 3.44Å; F360-A384 HydrophobicContact CD1-CB 3.92Å; F360-A384 HydrophobicContact CE1-CB 4.19Å; F360-A384 HydrophobicContact CG-CB 4.13Å; F360-Y397 HydrophobicContact CE1-CD1 4.18Å; F360-Y397 HydrophobicContact CE1-CE1 4.01Å; F360-Y397 HydrophobicContact CZ-CD1 4.48Å; F360-V436 HydrophobicContact CE1-CG1 4.32Å; F360-V436 HydrophobicContact CZ-CB 4.46Å; F360-V436 HydrophobicContact CZ-CG1 4.12Å; F360-A438 HydrophobicContact CE1-CB 4.19Å; F360-A438 HydrophobicContact CE2-CB 3.6Å; F360-A438 HydrophobicContact CZ-CB 3.41Å; F360-A438 VanDerWaalsContact CZ-CB 3.41Å; F360-S448 WeakPolarHBondContact CD2-OG 2.92Å; F360-S448 VanDerWaalsContact CE2-OG 3.29Å; F360-S448 WeakPolarHBondContact CE2-OG 3.33Å; F360-A450 HydrophobicContact CB-CB 4.11Å; F360-A450 HydrophobicContact CD1-CB 3.8Å; F360-A450 HydrophobicContact CD2-CB 3.66Å; F360-A450 HydrophobicContact CE1-CB 4.06Å; F360-A450 HydrophobicContact CE2-CB 3.92Å; F360-A450 HydrophobicContact CG-CB 3.59Å; F360-A450 HydrophobicContact CZ-CB 4.11Å
361S94.2Very high94Very high69 Ų6956.5 Ų56.548%0.48331%0.305SS..SBendtrans-67.7-23.4177.267.60000112.7Y365 H383S361-Y365 PolarHBondContact N-OH 2.9Å; S361-Y365 PolarHBondContact OG-OH 3.03Å; S361-H383 PolarHBondContact N-O 2.55Å; S361-H383 PolarHBondContact OG-O 3.46Å
362Q94.7Very high93.6Very high106 Ų10661 Ų6150%0.49533%0.33SS..  trans-140143.8177.6-60.6178.2-63.100109.8F360 V364 Y365F360-Q362 WeakPolarHBondContact CB-O 3.49Å; F360-Q362 PolarHBondContact O-N 2.86Å; Q362-V364 VanDerWaalsContact C-N 3.33Å; Q362-Y365 HydrophobicContact CB-CD1 4.42Å; Q362-Y365 HydrophobicContact CB-CD2 4.26Å; Q362-Y365 HydrophobicContact CB-CE1 4.1Å; Q362-Y365 HydrophobicContact CB-CE2 3.94Å; Q362-Y365 HydrophobicContact CB-CG 4.48Å; Q362-Y365 HydrophobicContact CG-CE1 4.26Å; Q362-Y365 PolarHBondContact N-OH 3.15Å; Q362-Y365 VanDerWaalsContact O-CE2 3.28Å; Q362-Y365 WeakPolarHBondContact O-CE2 3.42Å
363A91.4Very high93.1Very high84 Ų8458.1 Ų58.169%0.69432%0.317SS*.SBendtrans-72-32.1173.300000112V451A363-V451 PolarHBondContact O-N 3Å
364V96.2Very high92.7Very high64 Ų6458.9 Ų58.939%0.38833%0.325SS..EExtended strand (participates in β ladder)trans-133.8129.3176.9-173.40000108.9Q362 V451Q362-V364 VanDerWaalsContact C-N 3.33Å; V364-V451 CarbonylContact C-O 3.56Å; V364-V451 VanDerWaalsContact CA-O 3.3Å; V364-V451 WeakPolarHBondContact CA-O 3.26Å; V364-V451 HydrophobicContact CG1-CB 4.44Å; V364-V451 HydrophobicContact CG1-CG1 4.49Å; V364-V451 HydrophobicContact CG2-CB 4.39Å
365Y96.9Very high92.1Very high7 Ų761 Ų613%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-103.5129.4171.3-67.2-98.9000108.7F360 S361 Q362 V382 H383 A450 V451 V452 A453F360-Y365 HydrophobicContact CB-CE2 4.41Å; F360-Y365 HydrophobicContact CD1-CE2 4.08Å; S361-Y365 PolarHBondContact N-OH 2.9Å; S361-Y365 PolarHBondContact OG-OH 3.03Å; Q362-Y365 HydrophobicContact CB-CD1 4.42Å; Q362-Y365 HydrophobicContact CB-CD2 4.26Å; Q362-Y365 HydrophobicContact CB-CE1 4.1Å; Q362-Y365 HydrophobicContact CB-CE2 3.94Å; Q362-Y365 HydrophobicContact CB-CG 4.48Å; Q362-Y365 HydrophobicContact CG-CE1 4.26Å; Q362-Y365 PolarHBondContact N-OH 3.15Å; Q362-Y365 VanDerWaalsContact O-CE2 3.28Å; Q362-Y365 WeakPolarHBondContact O-CE2 3.42Å; Y365-V382 HydrophobicContact CD1-CG1 4.05Å; Y365-V382 HydrophobicContact CD2-CB 4.41Å; Y365-V382 HydrophobicContact CD2-CG1 3.73Å; Y365-V382 HydrophobicContact CE1-CB 4.26Å; Y365-V382 HydrophobicContact CE1-CG1 4.23Å; Y365-V382 HydrophobicContact CE2-CB 4.08Å; Y365-V382 HydrophobicContact CE2-CG1 3.91Å; Y365-V382 HydrophobicContact CG-CG1 3.81Å; Y365-H383 PolarHBondContact OH-N 2.92Å; Y365-H383 PolarHBondContact OH-O 2.92Å; Y365-A450 HydrophobicContact CD2-CB 4.21Å; Y365-A450 HydrophobicContact CE2-CB 3.98Å; Y365-V451 PolarHBondContact N-O 3.1Å; Y365-V452 HydrophobicContact CD2-CG2 4.38Å; Y365-V452 CarbonylContact O-C 3.54Å; Y365-V452 WeakPolarHBondContact O-CA 3.44Å; Y365-A453 PolarHBondContact O-N 2.93Å
366H96.6Very high91.8Very high140 Ų14064.4 Ų64.465%0.64835%0.354SS*.EExtended strand (participates in β ladder)trans-102.6116.4169.6-68.3-77.5000107.9A453H366-A453 WeakPolarHBondContact CA-O 3.31Å
367L95.9Very high91.7Very high27 Ų2762.7 Ų62.714%0.14135%0.347CS..EExtended strand (participates in β ladder)trans-123.8157178.1-56.3179000108.7V379 I418 V452 A453 I454 E455L367-V379 HydrophobicContact CB-CG1 3.88Å; L367-V379 HydrophobicContact CD1-CG1 4.08Å; L367-I418 HydrophobicContact CD1-CD1 4.2Å; L367-V452 HydrophobicContact CD1-CG1 3.51Å; L367-V452 HydrophobicContact CG-CG1 3.98Å; L367-A453 PolarHBondContact N-O 2.87Å; L367-I454 HydrophobicContact CB-CG1 4.41Å; L367-I454 CarbonylContact O-C 3.53Å; L367-I454 VanDerWaalsContact O-CA 3.27Å; L367-I454 WeakPolarHBondContact O-CA 3.43Å; L367-E455 PolarHBondContact O-N 2.91Å
368D94.6Very high91.6Very high97 Ų9764 Ų6452%0.51936%0.363SS..EExtended strand (participates in β ladder)trans-131.1145.5-179.958.1-40.8000110.2E455 L457D368-E455 WeakPolarHBondContact CA-O 3.45Å; D368-L457 HydrophobicContact CB-CD1 4.11Å; D368-L457 HydrophobicContact CB-CD2 4.18Å; D368-L457 HydrophobicContact CB-CG 4.09Å
369V94.6Very high91.6Very high5 Ų564.6 Ų64.63%0.0337%0.366CS..EExtended strand (participates in β ladder)trans-143.1136177.663.40000108.7C373 V379 L424 I454 E455 T456 L457V369-C373 HydrophobicContact CG2-CB 3.76Å; V369-C373 VanDerWaalsContact CG2-SG 3.53Å; V369-V379 HydrophobicContact CB-CG1 4.3Å; V369-V379 HydrophobicContact CB-CG2 4.14Å; V369-V379 HydrophobicContact CG2-CG2 4.07Å; V369-L424 HydrophobicContact CG1-CD1 3.42Å; V369-L424 VanDerWaalsContact CG1-CD1 3.42Å; V369-L424 HydrophobicContact CG2-CD1 4.4Å; V369-I454 HydrophobicContact CB-CG2 4.46Å; V369-I454 HydrophobicContact CG1-CG2 3.64Å; V369-E455 PolarHBondContact N-O 3.27Å; V369-T456 CarbonylContact O-C 3.6Å; V369-T456 VanDerWaalsContact O-CA 3.31Å; V369-T456 WeakPolarHBondContact O-CA 3.33Å; V369-L457 PolarHBondContact O-N 2.94Å
370S92.1Very high91.6Very high36 Ų3657.5 Ų57.525%0.25235%0.345SS..EExtended strand (participates in β ladder)trans-71.7143.9174.1-176.90000110.2N372 C373 Q459S370-N372 PolarHBondContact O-N 2.96Å; S370-N372 PolarHBondContact OG-N 3.38Å; S370-C373 WeakPolarHBondContact O-CB 3.5Å; S370-C373 PolarHBondContact O-N 3.35Å; S370-C373 VanDerWaalsContact O-N 3.1Å; S370-Q459 WeakPolarHBondContact OG-CG 3.13Å
371E91Very high91.6Very high10 Ų1061.9 Ų61.95%0.04736%0.361CS..THydrogen-bonded Turntrans-64.6-27.9172.469.1-166.816600113.1C373 L424 R426 T456 L457 Q459E371-C373 PolarHBondContact O-N 2.88Å; E371-L424 WeakPolarHBondContact CA-O 3.3Å; E371-L424 VanDerWaalsContact CB-O 3.26Å; E371-L424 WeakPolarHBondContact CB-O 3.33Å; E371-R426 WeakPolarHBondContact OE2-CB 3.42Å; E371-R426 PolarHBondContact OE2-N 2.86Å; E371-T456 HydrophobicContact CB-CG2 3.73Å; E371-L457 PolarHBondContact N-O 2.67Å; E371-Q459 HydrophobicContact CG-CB 3.93Å; E371-Q459 HydrophobicContact CG-CG 3.82Å; E371-Q459 WeakPolarHBondContact OE1-CA 3.17Å; E371-Q459 WeakPolarHBondContact OE1-CB 3.41Å; E371-Q459 PolarHBondContact OE1-N 2.94Å
372N88.6Confident91.7Very high103 Ų10358.6 Ų58.655%0.55134%0.338SS*.THydrogen-bonded Turntrans-71.46.3172.8-77.4-31.3000113.9S370 Q459S370-N372 PolarHBondContact O-N 2.96Å; S370-N372 PolarHBondContact OG-N 3.38Å; N372-Q459 HydrophobicContact CB-CG 4.34Å; N372-Q459 VanDerWaalsContact ND2-CB 3.32Å; N372-Q459 WeakPolarHBondContact ND2-CB 3.32Å; N372-Q459 VanDerWaalsContact ND2-CG 3.3Å; N372-Q459 WeakPolarHBondContact ND2-CG 3.35Å
373C85.8Confident91.7Very high25 Ų2556.7 Ų56.717%0.16933%0.329CS..PPolyproline II helixtrans-73.8121-177.9-1560000109.3V369 S370 E371 C377V369-C373 HydrophobicContact CG2-CB 3.76Å; V369-C373 VanDerWaalsContact CG2-SG 3.53Å; S370-C373 WeakPolarHBondContact O-CB 3.5Å; S370-C373 PolarHBondContact O-N 3.35Å; S370-C373 VanDerWaalsContact O-N 3.1Å; E371-C373 PolarHBondContact O-N 2.88Å; C373-C377 HydrophobicContact CB-CB 4.07Å; C373-C377 WeakPolarHBondContact CB-SG 2.9Å; C373-C377 WeakPolarHBondContact SG-CB 3.46Å; C373-C377 CovalentContact SG-SG 1.99Å; C373-C377 PolarHBondContact SG-SG 2.94Å
374P85.5Confident91.9Very high86 Ų8652.7 Ų52.756%0.55830%0.296SS*.PPolyproline II helixtrans-65.3158.3-175.427.4-35000111.1I376 C377P374-I376 PolarHBondContact O-N 2.76Å; P374-C377 HydrophobicContact CG-CB 4.34Å; P374-C377 WeakPolarHBondContact O-CB 3.3Å; P374-C377 PolarHBondContact O-N 3.33Å; P374-C377 PolarHBondContact O-SG 2.82Å
375P78.4Confident91.8Very high65 Ų6551.5 Ų51.542%0.42229%0.289SS..SBendtrans-51.4130.9173.1-26.633.8000111.2E423P375-E423 HydrophobicContact CG-CG 3.95Å
376I84.4Confident91.6Very high137 Ų13751.4 Ų51.470%0.70329%0.289SS*.SBendtrans72.546.7-174.7-40.3168.6000112.2P374 A420P374-I376 PolarHBondContact O-N 2.76Å; I376-A420 WeakPolarHBondContact CA-O 3.29Å; I376-A420 PolarHBondContact N-O 3.19Å
377C87.9Confident91.3Very high14 Ų1445.9 Ų45.910%0.09527%0.265CS..EExtended strand (participates in β ladder)trans-101.3156171.3730000112.3C373 P374 S419 A420C373-C377 HydrophobicContact CB-CB 4.07Å; C373-C377 WeakPolarHBondContact CB-SG 2.9Å; C373-C377 WeakPolarHBondContact SG-CB 3.46Å; C373-C377 CovalentContact SG-SG 1.99Å; C373-C377 PolarHBondContact SG-SG 2.94Å; P374-C377 HydrophobicContact CG-CB 4.34Å; P374-C377 WeakPolarHBondContact O-CB 3.3Å; P374-C377 PolarHBondContact O-N 3.33Å; P374-C377 PolarHBondContact O-SG 2.82Å; C377-S419 CarbonylContact O-C 3.54Å; C377-S419 WeakPolarHBondContact O-CA 3.46Å; C377-S419 WeakPolarHBondContact O-CB 3.28Å; C377-S419 PolarHBondContact O-OG 3.37Å; C377-A420 PolarHBondContact N-O 2.7Å; C377-A420 PolarHBondContact O-N 2.9Å
378A91.3Very high91Very high81 Ų8146.3 Ų46.367%0.66927%0.268SS*.EExtended strand (participates in β ladder)trans-81.9124.9-177.500000111
379V94.4Very high90.6Very high15 Ų1545.4 Ų45.49%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-91.3-50.7174.21790000109.5L367 V369 F409 I418 A420 I454L367-V379 HydrophobicContact CB-CG1 3.88Å; L367-V379 HydrophobicContact CD1-CG1 4.08Å; V369-V379 HydrophobicContact CB-CG1 4.3Å; V369-V379 HydrophobicContact CB-CG2 4.14Å; V369-V379 HydrophobicContact CG2-CG2 4.07Å; V379-F409 HydrophobicContact CG2-CD1 4.21Å; V379-F409 HydrophobicContact CG2-CE1 4.16Å; V379-I418 HydrophobicContact CB-CG2 4.25Å; V379-I418 PolarHBondContact N-O 2.85Å; V379-A420 HydrophobicContact CG2-CB 4.11Å; V379-I454 HydrophobicContact CG1-CD1 4.13Å; V379-I454 HydrophobicContact CG1-CG1 4.17Å; V379-I454 HydrophobicContact CG1-CG2 3.76Å
380G93.9Very high90.2Very high18 Ų1847.8 Ų47.819%0.18629%0.291CS..EExtended strand (participates in β ladder)trans172.8-158.4-179.300000112.7F417 I418G380-F417 CarbonylContact O-C 3.57Å; G380-F417 WeakPolarHBondContact O-CA 3.11Å; G380-I418 PolarHBondContact N-O 3.24Å; G380-I418 PolarHBondContact O-N 2.79Å
381R95.1Very high90Very high110 Ų11051.4 Ų51.442%0.41530%0.304SS..EExtended strand (participates in β ladder)trans-143.3137.1-176.7-178.9-179.1-177.2-157.9-1.4111.2K415 G416 F417R381-K415 PolarHBondContact NE-O 3.3Å; R381-K415 PolarHBondContact NH2-O 3.14Å; R381-G416 WeakPolarHBondContact CA-O 3.44Å; R381-F417 HydrophobicContact CB-CD1 3.85Å; R381-F417 HydrophobicContact CB-CE1 3.97Å; R381-F417 HydrophobicContact CB-CG 4.45Å; R381-F417 HydrophobicContact CG-CD1 4.26Å; R381-F417 HydrophobicContact CG-CE1 4.32Å; R381-F417 HydrophobicContact CG-CG 4.44Å
382V96.1Very high89.8Confident0 Ų052.4 Ų52.40%031%0.312CS..  trans-100.3153.6164.6-61.40000110.6F360 Y365 Y397 I411 G416 I418 V436 V452F360-V382 HydrophobicContact CD1-CB 4.43Å; F360-V382 HydrophobicContact CE1-CB 4.19Å; F360-V382 HydrophobicContact CE1-CG2 4.09Å; Y365-V382 HydrophobicContact CD1-CG1 4.05Å; Y365-V382 HydrophobicContact CD2-CB 4.41Å; Y365-V382 HydrophobicContact CD2-CG1 3.73Å; Y365-V382 HydrophobicContact CE1-CB 4.26Å; Y365-V382 HydrophobicContact CE1-CG1 4.23Å; Y365-V382 HydrophobicContact CE2-CB 4.08Å; Y365-V382 HydrophobicContact CE2-CG1 3.91Å; Y365-V382 HydrophobicContact CG-CG1 3.81Å; V382-Y397 HydrophobicContact CG2-CD1 4.01Å; V382-Y397 HydrophobicContact CG2-CE1 4.23Å; V382-I411 HydrophobicContact CG2-CD1 3.78Å; V382-G416 PolarHBondContact N-O 3.3Å; V382-I418 HydrophobicContact CG1-CD1 3.96Å; V382-V436 HydrophobicContact CG2-CG1 3.96Å; V382-V452 HydrophobicContact CG1-CG2 3.61Å
383H95.1Very high89.7Confident67 Ų6751.1 Ų51.131%0.3131%0.311SS..  trans-137.6123.8-176.6-174.757.9000110.5F360 S361 Y365 S392F360-H383 CarbonylContact C-O 3.5Å; F360-H383 WeakPolarHBondContact CA-O 3.44Å; S361-H383 PolarHBondContact N-O 2.55Å; S361-H383 PolarHBondContact OG-O 3.46Å; Y365-H383 PolarHBondContact OH-N 2.92Å; Y365-H383 PolarHBondContact OH-O 2.92Å; H383-S392 PolarHBondContact CE1-OG 2.81Å
384A94.9Very high89.8Confident0 Ų051.6 Ų51.60%031%0.312CS..EExtended strand (participates in β ladder)trans-121.4153169.900000110.3P358 R359 F360 S392 I395 Y397 A438P358-A384 HydrophobicContact CB-CB 4.34Å; R359-A384 CarbonylContact O-C 3.6Å; R359-A384 WeakPolarHBondContact O-CA 3.13Å; F360-A384 HydrophobicContact CD1-CB 3.92Å; F360-A384 HydrophobicContact CE1-CB 4.19Å; F360-A384 HydrophobicContact CG-CB 4.13Å; A384-S392 WeakPolarHBondContact O-CB 3.45Å; A384-S392 PolarHBondContact O-OG 3.34Å; A384-I395 VanDerWaalsContact C-CD1 3.43Å; A384-I395 HydrophobicContact CB-CD1 3.99Å; A384-I395 WeakPolarHBondContact O-CD1 3.33Å; A384-Y397 HydrophobicContact CB-CE1 3.87Å; A384-Y397 PolarHBondContact N-OH 2.77Å; A384-Y397 PolarHBondContact O-OH 3.33Å; A384-A438 HydrophobicContact CB-CB 4.11Å
385V93.9Very high90.2Very high39 Ų3947.5 Ų47.524%0.23629%0.286CS..EExtended strand (participates in β ladder)trans-124.2147.3172.7-66.20000108.8P358 R359 P387P358-V385 CarbonylContact C-O 3.59Å; R359-V385 PolarHBondContact N-O 3.17Å; R359-V385 PolarHBondContact O-N 3.4Å; V385-P387 WeakPolarHBondContact O-CD 3.26Å
386D92.6Very high91Very high4 Ų451.5 Ų51.52%0.02129%0.292CS..  trans-77.5116171.3179.724.5000107.7D388 T389 G390 Q391 Q440D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.36Å; D386-T389 WeakPolarHBondContact CB-OG1 3.46Å; D386-T389 PolarHBondContact O-N 3.19Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.45Å; D386-T389 PolarHBondContact OD2-OG1 3.35Å; D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.07Å; D386-G390 PolarHBondContact O-N 3.12Å; D386-Q391 WeakPolarHBondContact CB-O 3.43Å; D386-Q391 PolarHBondContact N-O 3.4Å; D386-Q440 PolarHBondContact OD1-NE2 3.49Å
387P90.4Very high91.5Very high24 Ų2445.2 Ų45.216%0.15626%0.26CS..THydrogen-bonded Turntrans-54.6-45.8-176.1-26.136000112.4E315 E356 P357 R359 V385 T389E315-P387 VanDerWaalsContact CG-O 3.26Å; E315-P387 WeakPolarHBondContact CG-O 3.41Å; E356-P387 HydrophobicContact CB-CB 4.09Å; E356-P387 HydrophobicContact CB-CG 3.95Å; E356-P387 WeakPolarHBondContact OE2-CB 3.09Å; P357-P387 WeakPolarHBondContact O-CD 3.47Å; P357-P387 WeakPolarHBondContact O-CG 3.22Å; R359-P387 HydrophobicContact CB-CG 3.97Å; V385-P387 WeakPolarHBondContact O-CD 3.26Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 2.55Å
388D89.9Confident91.9Very high37 Ų3746.9 Ų46.920%0.19827%0.272CS..THydrogen-bonded Turntrans-59-35.8-177.3-66.3-97.1000114.5N353 E356 D386N353-D388 PolarHBondContact ND2-OD1 2.74Å; E356-D388 PolarHBondContact N-OD2 2.85Å; D386-D388 VanDerWaalsContact C-N 3.3Å; D386-D388 PolarHBondContact O-N 3.36Å
389T87.3Confident92.1Very high78 Ų7844.1 Ų44.148%0.47925%0.246SC..THydrogen-bonded Turntrans-111.4-16-173.864.80000113.5D386 P387 Q391D386-T389 WeakPolarHBondContact CB-OG1 3.46Å; D386-T389 PolarHBondContact O-N 3.19Å; D386-T389 WeakPolarHBondContact OD2-CG2 3.45Å; D386-T389 PolarHBondContact OD2-OG1 3.35Å; P387-T389 VanDerWaalsContact C-N 3.31Å; P387-T389 PolarHBondContact O-N 2.55Å; T389-Q391 PolarHBondContact O-N 3.34Å; T389-Q391 PolarHBondContact OG1-N 3.29Å
390G85.3Confident92.2Very high54 Ų5444.2 Ų44.256%0.55725%0.246SC*.SBendtrans65.412-169.200000114.2D386D386-G390 VanDerWaalsContact O-CA 3.24Å; D386-G390 WeakPolarHBondContact O-CA 3.07Å; D386-G390 PolarHBondContact O-N 3.12Å
391Q87.8Confident92.2Very high112 Ų11248.1 Ų48.152%0.52327%0.267SS..  trans-110.4155.5-173.4-62.9-173.813.300112.9D386 T389 S393D386-Q391 WeakPolarHBondContact CB-O 3.43Å; D386-Q391 PolarHBondContact N-O 3.4Å; T389-Q391 PolarHBondContact O-N 3.34Å; T389-Q391 PolarHBondContact OG1-N 3.29Å; Q391-S393 PolarHBondContact OE1-OG 3.23Å
392S87.1Confident92.2Very high32 Ų3251 Ų5122%0.22429%0.286CS..SBendtrans-104.11.4174-48.30000113.9H383 A384 N394 I395H383-S392 PolarHBondContact CE1-OG 2.81Å; A384-S392 WeakPolarHBondContact O-CB 3.45Å; A384-S392 PolarHBondContact O-OG 3.34Å; S392-N394 VanDerWaalsContact C-N 3.28Å; S392-N394 PolarHBondContact O-N 3.35Å; S392-I395 PolarHBondContact O-N 3.38Å
393S86.4Confident92.1Very high75 Ų7552.7 Ų52.752%0.52430%0.298SS..THydrogen-bonded Turntrans-65.7-32.6-174.754.70000112.5Q391Q391-S393 PolarHBondContact OE1-OG 3.23Å
394N87.8Confident92.1Very high36 Ų3650.1 Ų50.119%0.19329%0.286CS..THydrogen-bonded Turntrans-91.68.9-178.3-164.329000113.7S392 Q440 R441 D442S392-N394 VanDerWaalsContact C-N 3.28Å; S392-N394 PolarHBondContact O-N 3.35Å; N394-Q440 CarbonylContact O-C 3.59Å; N394-Q440 WeakPolarHBondContact O-CA 3.27Å; N394-R441 WeakPolarHBondContact O-CG 3.43Å; N394-R441 PolarHBondContact O-N 2.94Å; N394-R441 WeakPolarHBondContact OD1-CB 3.47Å; N394-D442 PolarHBondContact ND2-OD1 3.01Å; N394-D442 PolarHBondContact ND2-OD2 3.5Å; N394-D442 VanDerWaalsContact ND2-OD2 3.13Å
395I93.8Very high91.9Very high0 Ų055.5 Ų55.50%032%0.321CS..EExtended strand (participates in β ladder)trans-100146.4-176.5-58.5171.4000110.8P358 A384 S392 Y397 A438 T439 R441P358-I395 HydrophobicContact CB-CD1 4.05Å; P358-I395 HydrophobicContact CB-CG1 4.22Å; P358-I395 HydrophobicContact CB-CG2 4.43Å; P358-I395 HydrophobicContact CG-CG1 4.32Å; A384-I395 VanDerWaalsContact C-CD1 3.43Å; A384-I395 HydrophobicContact CB-CD1 3.99Å; A384-I395 WeakPolarHBondContact O-CD1 3.33Å; S392-I395 PolarHBondContact O-N 3.38Å; I395-Y397 HydrophobicContact CB-CE2 4.45Å; I395-Y397 HydrophobicContact CG2-CD2 4.38Å; I395-Y397 HydrophobicContact CG2-CE1 4.14Å; I395-Y397 HydrophobicContact CG2-CE2 3.92Å; I395-A438 HydrophobicContact CG2-CB 3.91Å; I395-T439 CarbonylContact C-O 3.56Å; I395-T439 WeakPolarHBondContact CA-O 3.26Å; I395-R441 PolarHBondContact O-NE 3.4Å
396R95.1Very high91.8Very high148 Ų14860.4 Ų60.456%0.55834%0.341SS*.EExtended strand (participates in β ladder)trans-125.7125.6170.7-169.5179.7-174.5175.70.3110.7S413 A438 T439 R441R396-S413 WeakPolarHBondContact CA-O 3.37Å; R396-A438 WeakPolarHBondContact O-CA 3.36Å; R396-T439 PolarHBondContact N-O 2.98Å; R396-T439 PolarHBondContact O-N 3.29Å; R396-T439 PolarHBondContact O-OG1 3.3Å; R396-R441 HydrophobicContact CB-CG 4.3Å
397Y96.3Very high91.7Very high5 Ų563 Ų632%0.0236%0.364CS..EExtended strand (participates in β ladder)trans-96.8145.3178.3-55.9-90000111.9F360 V382 A384 I395 I411 S413 V436 I437 A438F360-Y397 HydrophobicContact CE1-CD1 4.18Å; F360-Y397 HydrophobicContact CE1-CE1 4.01Å; F360-Y397 HydrophobicContact CZ-CD1 4.48Å; V382-Y397 HydrophobicContact CG2-CD1 4.01Å; V382-Y397 HydrophobicContact CG2-CE1 4.23Å; A384-Y397 HydrophobicContact CB-CE1 3.87Å; A384-Y397 PolarHBondContact N-OH 2.77Å; A384-Y397 PolarHBondContact O-OH 3.33Å; I395-Y397 HydrophobicContact CB-CE2 4.45Å; I395-Y397 HydrophobicContact CG2-CD2 4.38Å; I395-Y397 HydrophobicContact CG2-CE1 4.14Å; I395-Y397 HydrophobicContact CG2-CE2 3.92Å; Y397-I411 HydrophobicContact CG-CD1 4.39Å; Y397-S413 PolarHBondContact N-O 3.15Å; Y397-S413 WeakPolarHBondContact O-CA 3.44Å; Y397-V436 HydrophobicContact CD1-CG1 4.43Å; Y397-I437 CarbonylContact C-O 3.54Å; Y397-I437 WeakPolarHBondContact CA-O 3.21Å; Y397-A438 HydrophobicContact CD1-CB 4.21Å; Y397-A438 HydrophobicContact CE1-CB 4.27Å
398S95.8Very high91.8Very high50 Ų5063.1 Ų63.135%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-152.1151.4173.253.60000110.4V436 I437S398-V436 WeakPolarHBondContact O-CG1 3.43Å; S398-I437 PolarHBondContact N-O 3.3Å; S398-I437 PolarHBondContact O-N 2.92Å
399I96.2Very high92.1Very high23 Ų2361.8 Ų61.812%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-87.8137.1172.6-65.3164.2000107.8P401 D404 F409 I411 I434 V436I399-P401 VanDerWaalsContact O-CD 3.23Å; I399-P401 WeakPolarHBondContact O-CD 3.26Å; I399-D404 HydrophobicContact CG2-CB 3.89Å; I399-F409 HydrophobicContact CD1-CB 3.86Å; I399-F409 WeakPolarHBondContact CD1-O 3.44Å; I399-I411 HydrophobicContact CD1-CB 4.06Å; I399-I411 HydrophobicContact CD1-CG2 4.19Å; I399-I411 HydrophobicContact CG1-CB 4.01Å; I399-I411 HydrophobicContact CG1-CG2 3.79Å; I399-I434 HydrophobicContact CD1-CD1 4.08Å; I399-I434 HydrophobicContact CG1-CD1 4.25Å; I399-I434 HydrophobicContact CG2-CB 4.32Å; I399-V436 HydrophobicContact CG1-CG2 4.42Å
400D96.2Very high92.4Very high17 Ų1766.7 Ų66.79%0.09137%0.365CS..  trans-65.4115.1172.3-172.9-14000109.3Q402 S403 D404 S435 I437 R449D400-Q402 PolarHBondContact O-N 2.97Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.24Å; D400-Q402 PolarHBondContact OD1-N 2.9Å; D400-S403 PolarHBondContact O-N 2.73Å; D400-S403 PolarHBondContact O-OG 2.93Å; D400-D404 PolarHBondContact O-N 3.34Å; D400-S435 WeakPolarHBondContact CB-O 3.04Å; D400-S435 PolarHBondContact N-O 3.35Å; D400-I437 HydrophobicContact CB-CD1 3.9Å; D400-I437 HydrophobicContact CB-CG1 4.18Å; D400-R449 IonicContact OD2-CZ 2.84Å; D400-R449 IonicContact OD2-NH1 3.51Å; D400-R449 PolarHBondContact OD2-NH1 1.99Å; D400-R449 IonicContact OD2-NH2 3.89Å
401P94.1Very high93Very high99 Ų9965 Ų6564%0.64334%0.343SS*.THydrogen-bonded Turntrans-59.9-20.4-179.3-22.434.2000113.9I399 S403 D404I399-P401 VanDerWaalsContact O-CD 3.23Å; I399-P401 WeakPolarHBondContact O-CD 3.26Å; P401-S403 VanDerWaalsContact C-N 3.34Å; P401-D404 CarbonylContact O-C 3.55Å
402Q94.1Very high93.3Very high172 Ų17261.4 Ų61.480%0.80433%0.332SS*.THydrogen-bonded Turntrans-74.6-26.9175.4-63.5-171.6-15.700112.7D400D400-Q402 PolarHBondContact O-N 2.97Å; D400-Q402 WeakPolarHBondContact OD1-CB 3.24Å; D400-Q402 PolarHBondContact OD1-N 2.9Å
403S94.8Very high93.6Very high35 Ų3562.5 Ų62.525%0.24534%0.34CS..THydrogen-bonded Turntrans-88.1-18.4179.8690000113.7D400 P401 S435D400-S403 PolarHBondContact O-N 2.73Å; D400-S403 PolarHBondContact O-OG 2.93Å; P401-S403 VanDerWaalsContact C-N 3.34Å; S403-S435 VanDerWaalsContact CB-N 3.35Å; S403-S435 PolarHBondContact OG-N 3.16Å
404D93.9Very high93.9Very high13 Ų1362.7 Ų62.77%0.0734%0.335CS..  trans-135.371.5176.1-17613.2000109.6I399 D400 P401 E406 A407 L408 F409 I434I399-D404 HydrophobicContact CG2-CB 3.89Å; D400-D404 PolarHBondContact O-N 3.34Å; P401-D404 CarbonylContact O-C 3.55Å; D404-E406 PolarHBondContact O-N 3.34Å; D404-A407 PolarHBondContact O-N 3.1Å; D404-A407 VanDerWaalsContact O-N 3.17Å; D404-A407 WeakPolarHBondContact OD1-CA 3.44Å; D404-A407 PolarHBondContact OD1-N 2.91Å; D404-A407 VanDerWaalsContact OD1-N 3.12Å; D404-A407 WeakPolarHBondContact OD2-CA 3.39Å; D404-L408 PolarHBondContact OD1-N 3.2Å; D404-L408 PolarHBondContact OD2-N 2.98Å; D404-L408 VanDerWaalsContact OD2-N 3.1Å; D404-F409 PolarHBondContact OD2-N 2.85Å; D404-I434 HydrophobicContact CB-CG2 3.94Å
405P91.4Very high94Very high112 Ų11266.2 Ų66.273%0.72735%0.349SS*.THydrogen-bonded Turntrans-67.4-25.8-174.626.9-34.7000113.1A407P405-A407 VanDerWaalsContact C-N 3.32Å
406E90.9Very high94Very high142 Ų14266.2 Ų66.266%0.66435%0.349SS*.THydrogen-bonded Turntrans-87.5-4.3178-62.2-172.4-177.900112.5D404 L408D404-E406 PolarHBondContact O-N 3.34Å; E406-L408 VanDerWaalsContact C-N 3.28Å; E406-L408 HydrophobicContact CB-CD2 3.71Å; E406-L408 HydrophobicContact CB-CG 3.92Å; E406-L408 PolarHBondContact O-N 2.94Å
407A91.9Very high94Very high60 Ų6063.8 Ų63.850%0.49634%0.342SS..  trans53.443.9-177.600000112.5D404 P405 F409 V421D404-A407 PolarHBondContact O-N 3.1Å; D404-A407 VanDerWaalsContact O-N 3.17Å; D404-A407 WeakPolarHBondContact OD1-CA 3.44Å; D404-A407 PolarHBondContact OD1-N 2.91Å; D404-A407 VanDerWaalsContact OD1-N 3.12Å; D404-A407 WeakPolarHBondContact OD2-CA 3.39Å; P405-A407 VanDerWaalsContact C-N 3.32Å; A407-F409 PolarHBondContact O-N 2.87Å; A407-V421 WeakPolarHBondContact O-CG2 3.2Å
408L92.8Very high94Very high25 Ų2563.6 Ų63.613%0.13134%0.341CS..  trans-64.4-27.5179.4-53.3176.9000111.4D404 E406 V421 V422D404-L408 PolarHBondContact OD1-N 3.2Å; D404-L408 PolarHBondContact OD2-N 2.98Å; D404-L408 VanDerWaalsContact OD2-N 3.1Å; E406-L408 VanDerWaalsContact C-N 3.28Å; E406-L408 HydrophobicContact CB-CD2 3.71Å; E406-L408 HydrophobicContact CB-CG 3.92Å; E406-L408 PolarHBondContact O-N 2.94Å; L408-V421 VanDerWaalsContact O-CG2 3.26Å; L408-V421 WeakPolarHBondContact O-CG2 3.43Å; L408-V421 PolarHBondContact O-N 3.13Å; L408-V422 HydrophobicContact CB-CG2 4Å; L408-V422 HydrophobicContact CD2-CG2 3.58Å; L408-V422 HydrophobicContact CG-CG2 4.39Å
409F95.1Very high94Very high10 Ų1062.8 Ų62.84%0.04434%0.336CS..EExtended strand (participates in β ladder)trans-120.7150.2-176.3-56.9-80.5000112.5V379 I399 D404 A407 I418 S419 A420 L424 H432 I434 I454V379-F409 HydrophobicContact CG2-CD1 4.21Å; V379-F409 HydrophobicContact CG2-CE1 4.16Å; I399-F409 HydrophobicContact CD1-CB 3.86Å; I399-F409 WeakPolarHBondContact CD1-O 3.44Å; D404-F409 PolarHBondContact OD2-N 2.85Å; A407-F409 PolarHBondContact O-N 2.87Å; F409-I418 HydrophobicContact CB-CG2 4.21Å; F409-I418 HydrophobicContact CD1-CG2 4.27Å; F409-S419 WeakPolarHBondContact CA-O 3.44Å; F409-A420 HydrophobicContact CD1-CB 4.34Å; F409-A420 HydrophobicContact CE1-CB 4.27Å; F409-L424 HydrophobicContact CE1-CD1 3.98Å; F409-L424 HydrophobicContact CZ-CD1 4.05Å; F409-L424 HydrophobicContact CZ-CD2 4.22Å; F409-H432 HydrophobicContact CE2-CB 3.58Å; F409-H432 AromaticContact CE2-CG 3.84Å; F409-H432 HydrophobicContact CZ-CB 3.83Å; F409-H432 AromaticContact CZ-CD2 3.85Å; F409-H432 AromaticContact CZ-CG 3.87Å; F409-I434 HydrophobicContact CB-CD1 4.12Å; F409-I434 HydrophobicContact CD2-CD1 4.35Å; F409-I434 HydrophobicContact CD2-CG2 3.86Å; F409-I434 HydrophobicContact CE2-CG2 4.3Å; F409-I434 HydrophobicContact CG-CD1 4.26Å; F409-I454 HydrophobicContact CD1-CD1 3.7Å; F409-I454 HydrophobicContact CD2-CD1 4.2Å; F409-I454 HydrophobicContact CE1-CD1 3.51Å; F409-I454 HydrophobicContact CE1-CG2 4.15Å; F409-I454 HydrophobicContact CE2-CD1 4.05Å; F409-I454 HydrophobicContact CG-CD1 4.05Å; F409-I454 HydrophobicContact CZ-CB 4.39Å; F409-I454 HydrophobicContact CZ-CD1 3.7Å; F409-I454 HydrophobicContact CZ-CG2 4.2Å
410R94.8Very high93.9Very high181 Ų18161.7 Ų61.768%0.68333%0.33SS*.EExtended strand (participates in β ladder)trans-128.3140.1172.3-174.5176.6179.6-179.90.8110.5I418 S419 V421R410-I418 CarbonylContact O-C 3.5Å; R410-I418 WeakPolarHBondContact O-CA 3.42Å; R410-S419 PolarHBondContact N-O 2.83Å; R410-S419 PolarHBondContact O-N 2.75Å; R410-V421 HydrophobicContact CB-CG1 3.68Å
411I96.1Very high93.7Very high19 Ų1963.2 Ų63.210%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-111136.3175.2-166.8162.8000112.4V382 Y397 I399 S413 F417 I418 V436V382-I411 HydrophobicContact CG2-CD1 3.78Å; Y397-I411 HydrophobicContact CG-CD1 4.39Å; I399-I411 HydrophobicContact CD1-CB 4.06Å; I399-I411 HydrophobicContact CD1-CG2 4.19Å; I399-I411 HydrophobicContact CG1-CB 4.01Å; I399-I411 HydrophobicContact CG1-CG2 3.79Å; I411-S413 PolarHBondContact O-N 2.82Å; I411-F417 CarbonylContact C-O 3.59Å; I411-F417 VanDerWaalsContact CA-O 3.29Å; I411-F417 WeakPolarHBondContact CA-O 3.43Å; I411-I418 HydrophobicContact CB-CG1 4.38Å; I411-I418 HydrophobicContact CD1-CD1 4.45Å; I411-I418 HydrophobicContact CD1-CG1 3.93Å; I411-I418 HydrophobicContact CG1-CG1 4.06Å; I411-V436 HydrophobicContact CD1-CG1 3.5Å; I411-V436 HydrophobicContact CD1-CG2 4.14Å
412A95.1Very high93.5Very high36 Ų3661.1 Ų61.130%0.29833%0.325SS..  trans-71.4114169.200000109.6D414 K415 G416 F417A412-D414 PolarHBondContact O-N 3.06Å; A412-D414 VanDerWaalsContact O-N 3.14Å; A412-K415 PolarHBondContact O-N 2.89Å; A412-G416 WeakPolarHBondContact O-CA 3.41Å; A412-G416 PolarHBondContact O-N 2.9Å; A412-F417 HydrophobicContact CB-CB 4.11Å; A412-F417 PolarHBondContact N-O 2.84Å
413S93.4Very high93.3Very high54 Ų5460.1 Ų60.138%0.37832%0.321SS..THydrogen-bonded Turntrans-66.1-19.6-168.661.70000115.1R396 Y397 I411R396-S413 WeakPolarHBondContact CA-O 3.37Å; Y397-S413 PolarHBondContact N-O 3.15Å; Y397-S413 WeakPolarHBondContact O-CA 3.44Å; I411-S413 PolarHBondContact O-N 2.82Å
414D92.2Very high93.1Very high79 Ų7959.1 Ų59.142%0.42231%0.312SS..THydrogen-bonded Turntrans-95.5-32.8-178.863.9-30.7000113.3A412A412-D414 PolarHBondContact O-N 3.06Å; A412-D414 VanDerWaalsContact O-N 3.14Å
415K90.7Very high92.9Very high111 Ų11161.5 Ų61.548%0.48333%0.325SS..THydrogen-bonded Turntrans-116.2-15.2-171.6-70.3173.4-171.5178.90114.4R381 A412 F417R381-K415 PolarHBondContact NE-O 3.3Å; R381-K415 PolarHBondContact NH2-O 3.14Å; A412-K415 PolarHBondContact O-N 2.89Å; K415-F417 HydrophobicContact CB-CD2 3.6Å; K415-F417 HydrophobicContact CB-CE2 3.97Å; K415-F417 HydrophobicContact CD-CD2 4.33Å; K415-F417 HydrophobicContact CD-CE2 4.24Å
416G93.2Very high93Very high0 Ų059.3 Ų59.30%030%0.303CS..  trans76.118.9-179.900000114.5R381 V382 A412R381-G416 WeakPolarHBondContact CA-O 3.44Å; V382-G416 PolarHBondContact N-O 3.3Å; A412-G416 WeakPolarHBondContact O-CA 3.41Å; A412-G416 PolarHBondContact O-N 2.9Å
417F95.4Very high93Very high97 Ų9756.6 Ų56.643%0.42529%0.29SS..EExtended strand (participates in β ladder)trans-75.3129.8174.1-79.4-77.3000110.7G380 R381 I411 A412 K415G380-F417 CarbonylContact O-C 3.57Å; G380-F417 WeakPolarHBondContact O-CA 3.11Å; R381-F417 HydrophobicContact CB-CD1 3.85Å; R381-F417 HydrophobicContact CB-CE1 3.97Å; R381-F417 HydrophobicContact CB-CG 4.45Å; R381-F417 HydrophobicContact CG-CD1 4.26Å; R381-F417 HydrophobicContact CG-CE1 4.32Å; R381-F417 HydrophobicContact CG-CG 4.44Å; I411-F417 CarbonylContact C-O 3.59Å; I411-F417 VanDerWaalsContact CA-O 3.29Å; I411-F417 WeakPolarHBondContact CA-O 3.43Å; A412-F417 HydrophobicContact CB-CB 4.11Å; A412-F417 PolarHBondContact N-O 2.84Å; K415-F417 HydrophobicContact CB-CD2 3.6Å; K415-F417 HydrophobicContact CB-CE2 3.97Å; K415-F417 HydrophobicContact CD-CD2 4.33Å; K415-F417 HydrophobicContact CD-CE2 4.24Å
418I96.5Very high92.9Very high0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-103.7133.9179.7-59.1170.1000108.7L367 V379 G380 V382 F409 R410 I411 I434 V436 V452 I454L367-I418 HydrophobicContact CD1-CD1 4.2Å; V379-I418 HydrophobicContact CB-CG2 4.25Å; V379-I418 PolarHBondContact N-O 2.85Å; G380-I418 PolarHBondContact N-O 3.24Å; G380-I418 PolarHBondContact O-N 2.79Å; V382-I418 HydrophobicContact CG1-CD1 3.96Å; F409-I418 HydrophobicContact CB-CG2 4.21Å; F409-I418 HydrophobicContact CD1-CG2 4.27Å; R410-I418 CarbonylContact O-C 3.5Å; R410-I418 WeakPolarHBondContact O-CA 3.42Å; I411-I418 HydrophobicContact CB-CG1 4.38Å; I411-I418 HydrophobicContact CD1-CD1 4.45Å; I411-I418 HydrophobicContact CD1-CG1 3.93Å; I411-I418 HydrophobicContact CG1-CG1 4.06Å; I418-I434 HydrophobicContact CD1-CD1 4.45Å; I418-I434 HydrophobicContact CG2-CD1 4.43Å; I418-V436 HydrophobicContact CD1-CG2 4.13Å; I418-V452 HydrophobicContact CD1-CG1 4.04Å; I418-V452 HydrophobicContact CD1-CG2 4.16Å; I418-I454 HydrophobicContact CG2-CD1 4.48Å
419S95Very high92.9Very high33 Ų3364.4 Ų64.423%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-130.5140.3176.9-62.50000110.7C377 F409 R410C377-S419 CarbonylContact O-C 3.54Å; C377-S419 WeakPolarHBondContact O-CA 3.46Å; C377-S419 WeakPolarHBondContact O-CB 3.28Å; C377-S419 PolarHBondContact O-OG 3.37Å; F409-S419 WeakPolarHBondContact CA-O 3.44Å; R410-S419 PolarHBondContact N-O 2.83Å; R410-S419 PolarHBondContact O-N 2.75Å
420A94Very high92.8Very high1 Ų167.8 Ų67.81%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-74.8131.5168.300000108.4I376 C377 V379 F409 L424I376-A420 WeakPolarHBondContact CA-O 3.29Å; I376-A420 PolarHBondContact N-O 3.19Å; C377-A420 PolarHBondContact N-O 2.7Å; C377-A420 PolarHBondContact O-N 2.9Å; V379-A420 HydrophobicContact CG2-CB 4.11Å; F409-A420 HydrophobicContact CD1-CB 4.34Å; F409-A420 HydrophobicContact CE1-CB 4.27Å; A420-L424 HydrophobicContact CB-CD1 4.06Å; A420-L424 HydrophobicContact CB-CG 4.44Å
421V92.6Very high92.8Very high49 Ų4963.9 Ų63.930%0.29732%0.317SS..  trans-104.7-8.5179.9-68.30000113.2A407 L408 R410A407-V421 WeakPolarHBondContact O-CG2 3.2Å; L408-V421 VanDerWaalsContact O-CG2 3.26Å; L408-V421 WeakPolarHBondContact O-CG2 3.43Å; L408-V421 PolarHBondContact O-N 3.13Å; R410-V421 HydrophobicContact CB-CG1 3.68Å
422V89.9Confident92.6Very high54 Ų5463.6 Ų63.633%0.32732%0.315SS..SBendtrans-123163.7174.9-62.10000110L408 L424L408-V422 HydrophobicContact CB-CG2 4Å; L408-V422 HydrophobicContact CD2-CG2 3.58Å; L408-V422 HydrophobicContact CG-CG2 4.39Å; V422-L424 HydrophobicContact CG2-CD2 4.12Å
423E89.1Confident92.6Very high151 Ų15166.7 Ų66.771%0.70633%0.326SS*.  trans-69.8128.3167.2-65.1175.917400107.8P375P375-E423 HydrophobicContact CG-CG 3.95Å
424L90.7Very high92.8Very high14 Ų1464.3 Ų64.37%0.07331%0.309CS..  trans-96.7146.1176.5-60.2174000107.6V369 E371 F409 A420 V422 T456V369-L424 HydrophobicContact CG1-CD1 3.42Å; V369-L424 VanDerWaalsContact CG1-CD1 3.42Å; V369-L424 HydrophobicContact CG2-CD1 4.4Å; E371-L424 WeakPolarHBondContact CA-O 3.3Å; E371-L424 VanDerWaalsContact CB-O 3.26Å; E371-L424 WeakPolarHBondContact CB-O 3.33Å; F409-L424 HydrophobicContact CE1-CD1 3.98Å; F409-L424 HydrophobicContact CZ-CD1 4.05Å; F409-L424 HydrophobicContact CZ-CD2 4.22Å; A420-L424 HydrophobicContact CB-CD1 4.06Å; A420-L424 HydrophobicContact CB-CG 4.44Å; V422-L424 HydrophobicContact CG2-CD2 4.12Å; L424-T456 HydrophobicContact CB-CG2 4.05Å
425D90.4Very high93Very high64 Ų6461.5 Ų61.534%0.34230%0.296SS..  trans-129.2116.4179.8173.43.1000107.5E427 Q428 E429D425-E427 VanDerWaalsContact C-N 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.37Å; D425-E427 PolarHBondContact OD1-N 2.96Å; D425-Q428 HydrophobicContact CB-CB 4.04Å; D425-Q428 PolarHBondContact O-N 2.9Å; D425-Q428 PolarHBondContact OD1-N 3.27Å; D425-E429 PolarHBondContact O-N 2.85Å
426R92.6Very high93.3Very high66 Ų6656.2 Ų56.225%0.24927%0.273CS..THydrogen-bonded Turntrans-69.8-34.6-178.4-171.3-162.768.196.5-4.8111.5E371 Q428 E429 Q430 T456 D458E371-R426 WeakPolarHBondContact OE2-CB 3.42Å; E371-R426 PolarHBondContact OE2-N 2.86Å; R426-Q428 PolarHBondContact O-N 3.4Å; R426-E429 CarbonylContact O-C 3.52Å; R426-E429 PolarHBondContact O-N 2.81Å; R426-Q430 HydrophobicContact CG-CB 4.22Å; R426-Q430 HydrophobicContact CG-CG 4.25Å; R426-T456 HydrophobicContact CB-CG2 3.88Å; R426-T456 WeakPolarHBondContact CD-O 3.23Å; R426-T456 WeakPolarHBondContact CG-O 3.18Å; R426-D458 VanDerWaalsContact CD-CB 3.43Å; R426-D458 IonicContact CZ-OD1 3.78Å; R426-D458 IonicContact CZ-OD2 3.71Å; R426-D458 IonicContact NE-OD1 3.95Å; R426-D458 PolarHBondContact NE-OD1 2.75Å; R426-D458 IonicContact NE-OD2 3.39Å; R426-D458 IonicContact NH2-OD1 3.45Å; R426-D458 PolarHBondContact NH2-OD1 2.8Å; R426-D458 IonicContact NH2-OD2 3.11Å; R426-D458 PolarHBondContact NH2-OD2 2.8Å
427E91.8Very high93.4Very high85 Ų8557.2 Ų57.240%0.39728%0.278SS..THydrogen-bonded Turntrans-62.3-26.3176.5-81.162.8-130.900111.8D425 N462D425-E427 VanDerWaalsContact C-N 3.35Å; D425-E427 WeakPolarHBondContact OD1-CB 3.37Å; D425-E427 PolarHBondContact OD1-N 2.96Å; E427-N462 PolarHBondContact OE2-ND2 3.19Å
428Q90.5Very high93.5Very high152 Ų15252.6 Ų52.671%0.7126%0.258SS*.THydrogen-bonded Turntrans-82.1-54172.1-175.1176.5-17.700112.2D425 R426D425-Q428 HydrophobicContact CB-CB 4.04Å; D425-Q428 PolarHBondContact O-N 2.9Å; D425-Q428 PolarHBondContact OD1-N 3.27Å; R426-Q428 PolarHBondContact O-N 3.4Å
429E90.9Very high93.4Very high96 Ų9653.8 Ų53.845%0.44927%0.265SS..  trans-149.3116.2-179.2-170.7168.8-147.300112.1D425 R426 H432D425-E429 PolarHBondContact O-N 2.85Å; R426-E429 CarbonylContact O-C 3.52Å; R426-E429 PolarHBondContact O-N 2.81Å; E429-H432 IonicContact OE2-CE1 2.71Å; E429-H432 PolarHBondContact OE2-CE1 3.32Å; E429-H432 IonicContact OE2-ND1 2.58Å; E429-H432 PolarHBondContact OE2-ND1 2.95Å
430Q93.3Very high93.2Very high81 Ų8152.2 Ų52.238%0.37925%0.254SS..SBendtrans-76.9-35.5179.8-177-174.52.800113.3R426 E455 T456R426-Q430 HydrophobicContact CG-CB 4.22Å; R426-Q430 HydrophobicContact CG-CG 4.25Å; Q430-E455 HydrophobicContact CG-CG 4.41Å; Q430-E455 PolarHBondContact NE2-OE1 2.9Å; Q430-T456 PolarHBondContact O-N 3.38Å
431W94.4Very high93Very high100 Ų10058.7 Ų58.738%0.37928%0.278SS..EExtended strand (participates in β ladder)trans-125.6120.8-169.5-74.695.2000111.5A453 E455W431-A453 HydrophobicContact CE3-CB 4.34Å; W431-A453 HydrophobicContact CZ3-CB 4.19Å; W431-E455 HydrophobicContact CD2-CB 4.45Å; W431-E455 HydrophobicContact CE3-CB 4.08Å; W431-E455 HydrophobicContact CH2-CB 3.72Å; W431-E455 HydrophobicContact CH2-CG 4.01Å; W431-E455 HydrophobicContact CZ2-CB 4.11Å; W431-E455 VanDerWaalsContact CZ2-CD 3.46Å; W431-E455 HydrophobicContact CZ2-CG 3.88Å; W431-E455 HydrophobicContact CZ3-CB 3.71Å; W431-E455 HydrophobicContact CZ3-CG 4.38Å
432H93.6Very high92.8Very high13 Ų1361.8 Ų61.86%0.0629%0.293CS..EExtended strand (participates in β ladder)trans-110.6116.1172.8-52.2-79.6000110.2F409 E429 I454 T456F409-H432 HydrophobicContact CE2-CB 3.58Å; F409-H432 AromaticContact CE2-CG 3.84Å; F409-H432 HydrophobicContact CZ-CB 3.83Å; F409-H432 AromaticContact CZ-CD2 3.85Å; F409-H432 AromaticContact CZ-CG 3.87Å; E429-H432 IonicContact OE2-CE1 2.71Å; E429-H432 PolarHBondContact OE2-CE1 3.32Å; E429-H432 IonicContact OE2-ND1 2.58Å; E429-H432 PolarHBondContact OE2-ND1 2.95Å; H432-I454 HydrophobicContact CB-CB 4.35Å; H432-I454 PolarHBondContact N-O 2.72Å; H432-I454 PolarHBondContact O-N 3.29Å; H432-T456 PolarHBondContact CD2-OG1 2.79Å; H432-T456 PolarHBondContact NE2-OG1 3.5Å
433N95.3Very high92.7Very high101 Ų10161.4 Ų61.454%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-104.8100.2179.7-70.7-42.1000110.3A453N433-A453 WeakPolarHBondContact OD1-CA 3Å; N433-A453 WeakPolarHBondContact OD1-CB 3.45Å
434I95.9Very high92.6Very high4 Ų458 Ų582%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-103.1148.8177.968.2175.7000111I399 D404 F409 I418 V436 V452 I454I399-I434 HydrophobicContact CD1-CD1 4.08Å; I399-I434 HydrophobicContact CG1-CD1 4.25Å; I399-I434 HydrophobicContact CG2-CB 4.32Å; D404-I434 HydrophobicContact CB-CG2 3.94Å; F409-I434 HydrophobicContact CB-CD1 4.12Å; F409-I434 HydrophobicContact CD2-CD1 4.35Å; F409-I434 HydrophobicContact CD2-CG2 3.86Å; F409-I434 HydrophobicContact CE2-CG2 4.3Å; F409-I434 HydrophobicContact CG-CD1 4.26Å; I418-I434 HydrophobicContact CD1-CD1 4.45Å; I418-I434 HydrophobicContact CG2-CD1 4.43Å; I434-V436 HydrophobicContact CD1-CG2 4.5Å; I434-V452 HydrophobicContact CD1-CB 4.45Å; I434-V452 HydrophobicContact CG1-CB 3.8Å; I434-V452 HydrophobicContact CG1-CG1 4.47Å; I434-V452 HydrophobicContact CG1-CG2 4.49Å; I434-V452 PolarHBondContact N-O 2.82Å; I434-V452 PolarHBondContact O-N 3.36Å; I434-I454 HydrophobicContact CD1-CD1 3.87Å; I434-I454 HydrophobicContact CG1-CD1 4.25Å
435S96.8Very high92.6Very high20 Ų2064.2 Ų64.214%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-100.9119.6171.9-171.60000109.1D400 S403 A450D400-S435 WeakPolarHBondContact CB-O 3.04Å; D400-S435 PolarHBondContact N-O 3.35Å; S403-S435 VanDerWaalsContact CB-N 3.35Å; S403-S435 PolarHBondContact OG-N 3.16Å; S435-A450 WeakPolarHBondContact CA-O 3.19Å
436V97.2Very high92.6Very high0 Ų062.8 Ų62.80%031%0.306CS..EExtended strand (participates in β ladder)trans-95.1131.2173-178.40000109.6F360 V382 Y397 S398 I399 I411 I418 I434 R449 A450 V452F360-V436 HydrophobicContact CE1-CG1 4.32Å; F360-V436 HydrophobicContact CZ-CB 4.46Å; F360-V436 HydrophobicContact CZ-CG1 4.12Å; V382-V436 HydrophobicContact CG2-CG1 3.96Å; Y397-V436 HydrophobicContact CD1-CG1 4.43Å; S398-V436 WeakPolarHBondContact O-CG1 3.43Å; I399-V436 HydrophobicContact CG1-CG2 4.42Å; I411-V436 HydrophobicContact CD1-CG1 3.5Å; I411-V436 HydrophobicContact CD1-CG2 4.14Å; I418-V436 HydrophobicContact CD1-CG2 4.13Å; I434-V436 HydrophobicContact CD1-CG2 4.5Å; V436-R449 CarbonylContact O-C 3.54Å; V436-R449 VanDerWaalsContact O-CA 3.3Å; V436-R449 WeakPolarHBondContact O-CA 3.39Å; V436-A450 PolarHBondContact N-O 3.05Å; V436-A450 PolarHBondContact O-N 3.37Å; V436-V452 HydrophobicContact CB-CG2 4.38Å; V436-V452 HydrophobicContact CG2-CG2 3.59Å
437I96.3Very high92.7Very high21 Ų2162.8 Ų62.811%0.10831%0.313CS..EExtended strand (participates in β ladder)trans-101.3128.5177.5-55.2178.8000109Y397 S398 D400 T439 V447 S448 R449Y397-I437 CarbonylContact C-O 3.54Å; Y397-I437 WeakPolarHBondContact CA-O 3.21Å; S398-I437 PolarHBondContact N-O 3.3Å; S398-I437 PolarHBondContact O-N 2.92Å; D400-I437 HydrophobicContact CB-CD1 3.9Å; D400-I437 HydrophobicContact CB-CG1 4.18Å; I437-T439 HydrophobicContact CG2-CG2 4Å; I437-V447 HydrophobicContact CG2-CG1 3.31Å; I437-S448 WeakPolarHBondContact CA-O 3.29Å; I437-R449 HydrophobicContact CG1-CG 4.24Å
438A96.1Very high92.9Very high0 Ų059.7 Ų59.70%030%0.301CS..EExtended strand (participates in β ladder)trans-110135166.800000109.9P358 F360 A384 I395 R396 Y397 V447 S448P358-A438 HydrophobicContact CB-CB 4.03Å; P358-A438 HydrophobicContact CG-CB 4.47Å; F360-A438 HydrophobicContact CE1-CB 4.19Å; F360-A438 HydrophobicContact CE2-CB 3.6Å; F360-A438 HydrophobicContact CZ-CB 3.41Å; F360-A438 VanDerWaalsContact CZ-CB 3.41Å; A384-A438 HydrophobicContact CB-CB 4.11Å; I395-A438 HydrophobicContact CG2-CB 3.91Å; R396-A438 WeakPolarHBondContact O-CA 3.36Å; Y397-A438 HydrophobicContact CD1-CB 4.21Å; Y397-A438 HydrophobicContact CE1-CB 4.27Å; A438-V447 WeakPolarHBondContact O-CA 3.02Å; A438-S448 PolarHBondContact N-O 3.44Å; A438-S448 PolarHBondContact O-N 2.87Å
439T95Very high93.1Very high24 Ų2459.3 Ų59.315%0.14729%0.293CS..EExtended strand (participates in β ladder)trans-131.8148.6178.655.90000109.9I395 R396 I437 L446 V447I395-T439 CarbonylContact C-O 3.56Å; I395-T439 WeakPolarHBondContact CA-O 3.26Å; R396-T439 PolarHBondContact N-O 2.98Å; R396-T439 PolarHBondContact O-N 3.29Å; R396-T439 PolarHBondContact O-OG1 3.3Å; I437-T439 HydrophobicContact CG2-CG2 4Å; T439-L446 WeakPolarHBondContact CA-O 3.1Å; T439-V447 HydrophobicContact CG2-CB 4.41Å; T439-V447 HydrophobicContact CG2-CG1 4.16Å; T439-V447 HydrophobicContact CG2-CG2 3.9Å
440Q91.9Very high93.4Very high1 Ų154.9 Ų54.91%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-75.5148.3168.4-69174-23.600110.3D355 E356 P358 D386 N394 D442 N443 L446D355-Q440 PolarHBondContact OD1-NE2 3.43Å; D355-Q440 PolarHBondContact OD1-OE1 3.27Å; D355-Q440 PolarHBondContact OD2-OE1 3.05Å; E356-Q440 PolarHBondContact O-NE2 2.86Å; P358-Q440 HydrophobicContact CG-CG 3.78Å; D386-Q440 PolarHBondContact OD1-NE2 3.49Å; N394-Q440 CarbonylContact O-C 3.59Å; N394-Q440 WeakPolarHBondContact O-CA 3.27Å; Q440-D442 WeakPolarHBondContact CB-OD1 3.43Å; Q440-N443 CarbonylContact O-C 3.58Å; Q440-L446 VanDerWaalsContact OE1-CD1 3.22Å
441R89Confident93.5Very high137 Ų13754.1 Ų54.152%0.51727%0.273SS..SBendtrans-77.9-33.7-176.3-66.1172.5-176.9-1662.7112.9N394 I395 R396N394-R441 WeakPolarHBondContact O-CG 3.43Å; N394-R441 PolarHBondContact O-N 2.94Å; N394-R441 WeakPolarHBondContact OD1-CB 3.47Å; I395-R441 PolarHBondContact O-NE 3.4Å; R396-R441 HydrophobicContact CB-CG 4.3Å
442D88Confident93.7Very high113 Ų11349.3 Ų49.360%0.60426%0.255SS*.SBendtrans-81.7-31.8175.352.2-10.3000112.5N394 Q440N394-D442 PolarHBondContact ND2-OD1 3.01Å; N394-D442 PolarHBondContact ND2-OD2 3.5Å; N394-D442 VanDerWaalsContact ND2-OD2 3.13Å; Q440-D442 WeakPolarHBondContact CB-OD1 3.43Å
443N87.8Confident93.8Very high46 Ų4649 Ų4925%0.24625%0.254CS..  trans-128.183.7175.5-165.3-4.5000113.3D355 Q440 N445 L446D355-N443 PolarHBondContact OD2-ND2 3.36Å; Q440-N443 CarbonylContact O-C 3.58Å; N443-N445 PolarHBondContact O-N 2.91Å; N443-L446 HydrophobicContact CB-CD1 4.31Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.2Å; N443-L446 PolarHBondContact O-N 3.47Å; N443-L446 VanDerWaalsContact O-N 3.13Å
444P87.8Confident93.9Very high81 Ų8144.2 Ų44.253%0.52623%0.229SC..THydrogen-bonded Turntrans-65.6-9.6-177.9-21.933.7000115.3L446P444-L446 VanDerWaalsContact C-N 3.29Å
445N90.4Very high93.9Very high144 Ų14446.9 Ų46.977%0.7724%0.241SC*.THydrogen-bonded Turntrans-78.4-18177.5-61.5-46.6000112.2N443 V447N443-N445 PolarHBondContact O-N 2.91Å; N445-V447 PolarHBondContact O-N 3.25Å
446L91.3Very high93.7Very high34 Ų3446 Ų4618%0.17824%0.235CC..  trans-87.7104.6175.8-71.9-179.5000109.2D355 P357 T439 Q440 N443 P444D355-L446 HydrophobicContact CB-CD1 3.94Å; D355-L446 WeakPolarHBondContact O-CD1 3.14Å; D355-L446 WeakPolarHBondContact OD2-CD1 3.48Å; P357-L446 HydrophobicContact CB-CB 4.32Å; T439-L446 WeakPolarHBondContact CA-O 3.1Å; Q440-L446 VanDerWaalsContact OE1-CD1 3.22Å; N443-L446 HydrophobicContact CB-CD1 4.31Å; N443-L446 WeakPolarHBondContact ND2-CD1 3.2Å; N443-L446 PolarHBondContact O-N 3.47Å; N443-L446 VanDerWaalsContact O-N 3.13Å; P444-L446 VanDerWaalsContact C-N 3.29Å
447V93.6Very high93.5Very high65 Ų6548.9 Ų48.939%0.39425%0.25SS..EExtended strand (participates in β ladder)trans-125.4133.9-168.6-172.10000110.2I437 A438 T439 N445I437-V447 HydrophobicContact CG2-CG1 3.31Å; A438-V447 WeakPolarHBondContact O-CA 3.02Å; T439-V447 HydrophobicContact CG2-CB 4.41Å; T439-V447 HydrophobicContact CG2-CG1 4.16Å; T439-V447 HydrophobicContact CG2-CG2 3.9Å; N445-V447 PolarHBondContact O-N 3.25Å
448S95.1Very high93.3Very high20 Ų2052.2 Ų52.214%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-124.9160166.367.50000111.4P358 F360 I437 A438P358-S448 WeakPolarHBondContact O-CB 2.8Å; P358-S448 PolarHBondContact O-OG 3.18Å; F360-S448 WeakPolarHBondContact CD2-OG 2.92Å; F360-S448 VanDerWaalsContact CE2-OG 3.29Å; F360-S448 WeakPolarHBondContact CE2-OG 3.33Å; I437-S448 WeakPolarHBondContact CA-O 3.29Å; A438-S448 PolarHBondContact N-O 3.44Å; A438-S448 PolarHBondContact O-N 2.87Å
449R95.7Very high93Very high145 Ų14555.8 Ų55.855%0.54729%0.285SS..EExtended strand (participates in β ladder)trans-132.3139.6-176.4-68.4168.4175.3-1032109.7D400 V436 I437D400-R449 IonicContact OD2-CZ 2.84Å; D400-R449 IonicContact OD2-NH1 3.51Å; D400-R449 PolarHBondContact OD2-NH1 1.99Å; D400-R449 IonicContact OD2-NH2 3.89Å; V436-R449 CarbonylContact O-C 3.54Å; V436-R449 VanDerWaalsContact O-CA 3.3Å; V436-R449 WeakPolarHBondContact O-CA 3.39Å; I437-R449 HydrophobicContact CG1-CG 4.24Å
450A96.6Very high92.6Very high2 Ų262.2 Ų62.22%0.01732%0.318CS..EExtended strand (participates in β ladder)trans-128.2148.5168.800000109.9F360 Y365 S435 V436F360-A450 HydrophobicContact CB-CB 4.11Å; F360-A450 HydrophobicContact CD1-CB 3.8Å; F360-A450 HydrophobicContact CD2-CB 3.66Å; F360-A450 HydrophobicContact CE1-CB 4.06Å; F360-A450 HydrophobicContact CE2-CB 3.92Å; F360-A450 HydrophobicContact CG-CB 3.59Å; F360-A450 HydrophobicContact CZ-CB 4.11Å; Y365-A450 HydrophobicContact CD2-CB 4.21Å; Y365-A450 HydrophobicContact CE2-CB 3.98Å; S435-A450 WeakPolarHBondContact CA-O 3.19Å; V436-A450 PolarHBondContact N-O 3.05Å; V436-A450 PolarHBondContact O-N 3.37Å
451V96.7Very high92.2Very high65 Ų6566.2 Ų66.239%0.39434%0.339SS..EExtended strand (participates in β ladder)trans-89.5134.9173.5-179.90000108.5A363 V364 Y365A363-V451 PolarHBondContact O-N 3Å; V364-V451 CarbonylContact C-O 3.56Å; V364-V451 VanDerWaalsContact CA-O 3.3Å; V364-V451 WeakPolarHBondContact CA-O 3.26Å; V364-V451 HydrophobicContact CG1-CB 4.44Å; V364-V451 HydrophobicContact CG1-CG1 4.49Å; V364-V451 HydrophobicContact CG2-CB 4.39Å; Y365-V451 PolarHBondContact N-O 3.1Å
452V97.6Very high92Very high0 Ų064 Ų640%034%0.338CS..EExtended strand (participates in β ladder)trans-119.9108.4173.1-173.10000107.2Y365 L367 V382 I418 I434 V436 I454Y365-V452 HydrophobicContact CD2-CG2 4.38Å; Y365-V452 CarbonylContact O-C 3.54Å; Y365-V452 WeakPolarHBondContact O-CA 3.44Å; L367-V452 HydrophobicContact CD1-CG1 3.51Å; L367-V452 HydrophobicContact CG-CG1 3.98Å; V382-V452 HydrophobicContact CG1-CG2 3.61Å; I418-V452 HydrophobicContact CD1-CG1 4.04Å; I418-V452 HydrophobicContact CD1-CG2 4.16Å; I434-V452 HydrophobicContact CD1-CB 4.45Å; I434-V452 HydrophobicContact CG1-CB 3.8Å; I434-V452 HydrophobicContact CG1-CG1 4.47Å; I434-V452 HydrophobicContact CG1-CG2 4.49Å; I434-V452 PolarHBondContact N-O 2.82Å; I434-V452 PolarHBondContact O-N 3.36Å; V436-V452 HydrophobicContact CB-CG2 4.38Å; V436-V452 HydrophobicContact CG2-CG2 3.59Å; V452-I454 HydrophobicContact CG1-CD1 4.28Å; V452-I454 HydrophobicContact CG1-CG1 3.85Å
453A96.6Very high91.8Very high6 Ų662.3 Ų62.35%0.0534%0.34CS..EExtended strand (participates in β ladder)trans-91.1112.3174.300000108.1Y365 H366 L367 W431 N433Y365-A453 PolarHBondContact O-N 2.93Å; H366-A453 WeakPolarHBondContact CA-O 3.31Å; L367-A453 PolarHBondContact N-O 2.87Å; W431-A453 HydrophobicContact CE3-CB 4.34Å; W431-A453 HydrophobicContact CZ3-CB 4.19Å; N433-A453 WeakPolarHBondContact OD1-CA 3Å; N433-A453 WeakPolarHBondContact OD1-CB 3.45Å
454I96.1Very high91.7Very high0 Ų066.6 Ų66.60%037%0.37CS..EExtended strand (participates in β ladder)trans-104.9118.1-178.7-55.3170.4000107.8L367 V369 V379 F409 I418 H432 I434 V452L367-I454 HydrophobicContact CB-CG1 4.41Å; L367-I454 CarbonylContact O-C 3.53Å; L367-I454 VanDerWaalsContact O-CA 3.27Å; L367-I454 WeakPolarHBondContact O-CA 3.43Å; V369-I454 HydrophobicContact CB-CG2 4.46Å; V369-I454 HydrophobicContact CG1-CG2 3.64Å; V379-I454 HydrophobicContact CG1-CD1 4.13Å; V379-I454 HydrophobicContact CG1-CG1 4.17Å; V379-I454 HydrophobicContact CG1-CG2 3.76Å; F409-I454 HydrophobicContact CD1-CD1 3.7Å; F409-I454 HydrophobicContact CD2-CD1 4.2Å; F409-I454 HydrophobicContact CE1-CD1 3.51Å; F409-I454 HydrophobicContact CE1-CG2 4.15Å; F409-I454 HydrophobicContact CE2-CD1 4.05Å; F409-I454 HydrophobicContact CG-CD1 4.05Å; F409-I454 HydrophobicContact CZ-CB 4.39Å; F409-I454 HydrophobicContact CZ-CD1 3.7Å; F409-I454 HydrophobicContact CZ-CG2 4.2Å; I418-I454 HydrophobicContact CG2-CD1 4.48Å; H432-I454 HydrophobicContact CB-CB 4.35Å; H432-I454 PolarHBondContact N-O 2.72Å; H432-I454 PolarHBondContact O-N 3.29Å; I434-I454 HydrophobicContact CD1-CD1 3.87Å; I434-I454 HydrophobicContact CG1-CD1 4.25Å; V452-I454 HydrophobicContact CG1-CD1 4.28Å; V452-I454 HydrophobicContact CG1-CG1 3.85Å
455E95.7Very high91.4Very high60 Ų6071.5 Ų71.528%0.2839%0.386SS..EExtended strand (participates in β ladder)trans-93.1124.2173.7-171.8169.5-161.300110.2L367 D368 V369 Q430 W431 L457L367-E455 PolarHBondContact O-N 2.91Å; D368-E455 WeakPolarHBondContact CA-O 3.45Å; V369-E455 PolarHBondContact N-O 3.27Å; Q430-E455 HydrophobicContact CG-CG 4.41Å; Q430-E455 PolarHBondContact NE2-OE1 2.9Å; W431-E455 HydrophobicContact CD2-CB 4.45Å; W431-E455 HydrophobicContact CE3-CB 4.08Å; W431-E455 HydrophobicContact CH2-CB 3.72Å; W431-E455 HydrophobicContact CH2-CG 4.01Å; W431-E455 HydrophobicContact CZ2-CB 4.11Å; W431-E455 VanDerWaalsContact CZ2-CD 3.46Å; W431-E455 HydrophobicContact CZ2-CG 3.88Å; W431-E455 HydrophobicContact CZ3-CB 3.71Å; W431-E455 HydrophobicContact CZ3-CG 4.38Å; E455-L457 HydrophobicContact CG-CD2 4.38Å; E455-L457 PolarHBondContact O-N 3.24Å
456T94Very high91Very high1 Ų171 Ų711%0.00638%0.383CS..EExtended strand (participates in β ladder)trans-81.3115.5170.6-52.30000108.6V369 E371 L424 R426 Q430 H432V369-T456 CarbonylContact O-C 3.6Å; V369-T456 VanDerWaalsContact O-CA 3.31Å; V369-T456 WeakPolarHBondContact O-CA 3.33Å; E371-T456 HydrophobicContact CB-CG2 3.73Å; L424-T456 HydrophobicContact CB-CG2 4.05Å; R426-T456 HydrophobicContact CB-CG2 3.88Å; R426-T456 WeakPolarHBondContact CD-O 3.23Å; R426-T456 WeakPolarHBondContact CG-O 3.18Å; Q430-T456 PolarHBondContact O-N 3.38Å; H432-T456 PolarHBondContact CD2-OG1 2.79Å; H432-T456 PolarHBondContact NE2-OG1 3.5Å
457L93Very high90.4Very high62 Ų6276.3 Ų76.333%0.32541%0.411SS..EExtended strand (participates in β ladder)trans-81.8131.1-177.5-59.6179.8000111.4D368 V369 E371 E455D368-L457 HydrophobicContact CB-CD1 4.11Å; D368-L457 HydrophobicContact CB-CD2 4.18Å; D368-L457 HydrophobicContact CB-CG 4.09Å; V369-L457 PolarHBondContact O-N 2.94Å; E371-L457 PolarHBondContact N-O 2.67Å; E455-L457 HydrophobicContact CG-CD2 4.38Å; E455-L457 PolarHBondContact O-N 3.24Å
458D91.1Very high89.7Confident90 Ų9080.4 Ų80.448%0.48142%0.42SS..  trans-60.8136.1-178-167.229.3000112.2R426R426-D458 VanDerWaalsContact CD-CB 3.43Å; R426-D458 IonicContact CZ-OD1 3.78Å; R426-D458 IonicContact CZ-OD2 3.71Å; R426-D458 IonicContact NE-OD1 3.95Å; R426-D458 PolarHBondContact NE-OD1 2.75Å; R426-D458 IonicContact NE-OD2 3.39Å; R426-D458 IonicContact NH2-OD1 3.45Å; R426-D458 PolarHBondContact NH2-OD1 2.8Å; R426-D458 IonicContact NH2-OD2 3.11Å; R426-D458 PolarHBondContact NH2-OD2 2.8Å
459Q90.8Very high88.8Confident76 Ų7688.9 Ų88.936%0.35546%0.457SS..  trans-131.6148.6170.5-56.3-70.2-58.100108.5S370 E371 N372 D461S370-Q459 WeakPolarHBondContact OG-CG 3.13Å; E371-Q459 HydrophobicContact CG-CB 3.93Å; E371-Q459 HydrophobicContact CG-CG 3.82Å; E371-Q459 WeakPolarHBondContact OE1-CA 3.17Å; E371-Q459 WeakPolarHBondContact OE1-CB 3.41Å; E371-Q459 PolarHBondContact OE1-N 2.94Å; N372-Q459 HydrophobicContact CB-CG 4.34Å; N372-Q459 VanDerWaalsContact ND2-CB 3.32Å; N372-Q459 WeakPolarHBondContact ND2-CB 3.32Å; N372-Q459 VanDerWaalsContact ND2-CG 3.3Å; N372-Q459 WeakPolarHBondContact ND2-CG 3.35Å; Q459-D461 PolarHBondContact O-N 3.45Å
460N86.2Confident87.7Confident158 Ų15889.2 Ų89.285%0.84546%0.459SS*.SBendtrans-82.675.1-180-177.588.5000110.2
461D83.1Confident86.7Confident85 Ų8594.1 Ų94.146%0.45550%0.5SS..  trans-100.9-17.3178.271.1-19.1000113Q459Q459-D461 PolarHBondContact O-N 3.45Å
462N85.1Confident85.4Confident90 Ų9096 Ų9648%0.48151%0.512SS..SBendtrans-91.6129.5174.9-75.5-78.2000111.9E427E427-N462 PolarHBondContact OE2-ND2 3.19Å
463A84.6Confident84.3Confident79 Ų79101.2 Ų101.265%0.65355%0.548SS*.PPolyproline II helixtrans-85147.8175.200000110.9E465A463-E465 PolarHBondContact O-N 2.85Å; A463-E465 VanDerWaalsContact O-N 3.17Å
464P83.8Confident83.3Confident135 Ų135104.8 Ų104.888%0.87757%0.569SS**PPolyproline II helixtrans-63.1120.7174.925.5-33.1000110.5
465E82.1Confident82.2Confident184 Ų184109 Ų10986%0.8660%0.597SS**PPolyproline II helixtrans-99.4142.9175.2-64.7-162.9158.700111.6A463 D467A463-E465 PolarHBondContact O-N 2.85Å; A463-E465 VanDerWaalsContact O-N 3.17Å; E465-D467 PolarHBondContact O-N 3.46Å
466L81.3Confident81.1Confident133 Ų133114.6 Ų114.670%0.69663%0.629SS**PPolyproline II helixtrans-75.4124.3172.6-66.3168.8000108.6R468 Y470L466-R468 WeakPolarHBondContact CB-O 3.3Å; L466-R468 PolarHBondContact O-N 3.47Å; L466-Y470 HydrophobicContact CB-CD2 4.45Å; L466-Y470 HydrophobicContact CB-CE2 4.48Å; L466-Y470 HydrophobicContact CD1-CD2 4.22Å; L466-Y470 HydrophobicContact CD2-CD2 4.46Å; L466-Y470 HydrophobicContact CD2-CE2 4.37Å
467D79.5Confident80.3Confident147 Ų147119.9 Ų119.979%0.78667%0.667SS**SBendtrans-51.4-17.4176.5-177.345000114E465E465-D467 PolarHBondContact O-N 3.46Å
468R79.8Confident79.5Confident151 Ų151119.2 Ų119.257%0.5767%0.667SS**SBendtrans-151.6155168.768.1-169.785.8178.27.5111L466 Y470L466-R468 WeakPolarHBondContact CB-O 3.3Å; L466-R468 PolarHBondContact O-N 3.47Å; R468-Y470 HydrophobicContact CG-CD1 4.32Å; R468-Y470 HydrophobicContact CG-CD2 4.03Å; R468-Y470 HydrophobicContact CG-CE1 3.88Å; R468-Y470 HydrophobicContact CG-CE2 3.57Å; R468-Y470 HydrophobicContact CG-CG 4.4Å; R468-Y470 VanDerWaalsContact CG-CZ 3.49Å; R468-Y470 PolarHBondContact NE-OH 3.17Å; R468-Y470 VanDerWaalsContact O-CD2 3.23Å; R468-Y470 WeakPolarHBondContact O-CD2 3.45Å; R468-Y470 PolarHBondContact O-N 2.91Å
469Q75.3Confident78.7Confident197 Ų197117.7 Ų117.792%0.92167%0.667SS**  trans-68.5113.2168.1-70.6-177.1-11.800109.8
470Y73.6Confident77.8Confident152 Ų152120.7 Ų120.760%0.59669%0.693SS**  trans-88.6104.8170.3-65.7-86.1000108.8L466 R468L466-Y470 HydrophobicContact CB-CD2 4.45Å; L466-Y470 HydrophobicContact CB-CE2 4.48Å; L466-Y470 HydrophobicContact CD1-CD2 4.22Å; L466-Y470 HydrophobicContact CD2-CD2 4.46Å; L466-Y470 HydrophobicContact CD2-CE2 4.37Å; R468-Y470 HydrophobicContact CG-CD1 4.32Å; R468-Y470 HydrophobicContact CG-CD2 4.03Å; R468-Y470 HydrophobicContact CG-CE1 3.88Å; R468-Y470 HydrophobicContact CG-CE2 3.57Å; R468-Y470 HydrophobicContact CG-CG 4.4Å; R468-Y470 VanDerWaalsContact CG-CZ 3.49Å; R468-Y470 PolarHBondContact NE-OH 3.17Å; R468-Y470 VanDerWaalsContact O-CD2 3.23Å; R468-Y470 WeakPolarHBondContact O-CD2 3.45Å; R468-Y470 PolarHBondContact O-N 2.91Å
471A74.3Confident77.2Confident105 Ų105117.2 Ų117.287%0.86869%0.694SS**  trans-95.9120165.600000108.5
472T70.6Confident76.4Confident106 Ų106119.7 Ų119.765%0.6570%0.703SS**  trans-121146.1167.4-169.80000109V483T472-V483 HydrophobicContact CG2-CG1 4.49Å
473S74.5Confident75.2Confident108 Ų108122.8 Ų122.876%0.75573%0.725SS**  trans-118.4118.8176.757.80000108.7
474V74.1Confident74.7Confident81 Ų81125 Ų12549%0.49173%0.729SS.*  trans-97.7128.6174.5-175.90000108.3V483V474-V483 HydrophobicContact CG2-CG1 4.17Å
475C73.9Confident74.3Confident88 Ų88124.4 Ų124.460%0.59572%0.721SS**  trans-67.3141.3174.8-71.30000110.7S477 S478C475-S477 PolarHBondContact O-N 2.95Å; C475-S478 WeakPolarHBondContact O-CB 3.35Å; C475-S478 PolarHBondContact O-N 2.95Å; C475-S478 PolarHBondContact O-OG 3.13Å; C475-S478 VanDerWaalsContact O-OG 3.13Å
476D72.8Confident73.8Confident178 Ų178121.1 Ų121.195%0.95271%0.713SS**THydrogen-bonded Turntrans-60.7-12.7-179.3-163.721.3000113.7
477S77.5Confident73.4Confident113 Ų113120.4 Ų120.479%0.7971%0.714SS**THydrogen-bonded Turntrans-92.43.1175.262.40000114.8C475C475-S477 PolarHBondContact O-N 2.95Å
478S76.1Confident73Confident48 Ų48118.8 Ų118.834%0.33671%0.71SS.*PPolyproline II helixtrans-76.5131.4-176.1-65.10000112.3C475C475-S478 WeakPolarHBondContact O-CB 3.35Å; C475-S478 PolarHBondContact O-N 2.95Å; C475-S478 PolarHBondContact O-OG 3.13Å; C475-S478 VanDerWaalsContact O-OG 3.13Å
479A73.8Confident72.5Confident57 Ų57116.6 Ų116.647%0.47172%0.719SS.*PPolyproline II helixtrans-76.1155.1176.300000111.9G481 Q482A479-G481 PolarHBondContact O-N 3.2Å; A479-Q482 PolarHBondContact O-N 3.25Å
480P72.4Confident72.3Confident139 Ų139110.9 Ų110.990%0.90370%0.704SS**THydrogen-bonded Turntrans-54.1126180-25.233.7000112.5
481G73.5Confident72.2Confident85 Ų85107.7 Ų107.788%0.87671%0.713SS**THydrogen-bonded Turntrans95.35.4-179.800000115.7A479A479-G481 PolarHBondContact O-N 3.2Å
482Q66.4Low72.1Confident137 Ų137107.9 Ų107.964%0.6470%0.7SS**  trans-113.1120.5170.6-63.5-169.3-23.300110.2A479A479-Q482 PolarHBondContact O-N 3.25Å
483V59.3Low72.2Confident155 Ų155108.1 Ų108.194%0.93970%0.704SS**  trans-114.50174.2-1730000108.8T472 V474T472-V483 HydrophobicContact CG2-CG1 4.49Å; V474-V483 HydrophobicContact CG2-CG1 4.17Å

Retrieved 483 of 483 residues in 780.3 ms (Link to these results)