A0A913KVK8_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KVK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 347 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M39.6Very low54.8Low213 Ų213134 Ų134100%1.04966%0.659SS**  0118.60-78.9176.7176.300108.7Y3M1-Y3 HydrophobicContact CB-CD2 4.35Å; M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 PolarHBondContact O-N 3.33Å; M1-Y3 VanDerWaalsContact O-N 3.17Å; M1-Y3 HydrophobicContact SD-CE2 4.41Å
2R47.6Very low56.5Low248 Ų248128.9 Ų128.994%0.93665%0.647SS**  trans-73.299.7168.9-72.5179.4176.5174.6-1.2106.9I4R2-I4 PolarHBondContact O-N 2.92Å
3Y49.7Very low57.6Low203 Ų203124.8 Ų124.880%0.79663%0.633SS**  trans-72.5100.9168.5-94.3-87.1000107.7M1 L5M1-Y3 HydrophobicContact CB-CD2 4.35Å; M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 PolarHBondContact O-N 3.33Å; M1-Y3 VanDerWaalsContact O-N 3.17Å; M1-Y3 HydrophobicContact SD-CE2 4.41Å; Y3-L5 PolarHBondContact O-N 3.14Å
4I52.5Low58.6Low143 Ų143121 Ų12173%0.73362%0.622SS**  trans-67115.7163.5-60170.2000104.6R2 P6R2-I4 PolarHBondContact O-N 2.92Å; I4-P6 WeakPolarHBondContact O-CD 3.45Å; I4-P6 VanDerWaalsContact O-N 3.1Å
5L50.3Low59.5Low116 Ų116119.3 Ų119.361%0.60761%0.614SS**  trans-53121.7170-107.6107.8000107.1Y3 S7 F9Y3-L5 PolarHBondContact O-N 3.14Å; L5-S7 PolarHBondContact O-N 3.22Å; L5-F9 HydrophobicContact CD2-CB 4.14Å
6P54.3Low60.4Low67 Ų67118.4 Ų118.444%0.43561%0.61SS.*  trans-55.7136.4-178-2229.9000109.6I4 S8 F9I4-P6 WeakPolarHBondContact O-CD 3.45Å; I4-P6 VanDerWaalsContact O-N 3.1Å; P6-S8 PolarHBondContact O-N 2.93Å; P6-F9 HydrophobicContact CB-CD2 4.15Å; P6-F9 HydrophobicContact CG-CD2 3.98Å; P6-F9 HydrophobicContact CG-CE2 4.35Å; P6-F9 PolarHBondContact O-N 3.21Å
7S59.5Low61.1Low86 Ų86116.3 Ų116.360%0.60160%0.603SS**Hα-helixtrans-52-28179.553.90000113.1L5 F9 L10 I11L5-S7 PolarHBondContact O-N 3.22Å; S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.29Å; S7-L10 PolarHBondContact O-N 2.92Å; S7-I11 WeakPolarHBondContact O-CG1 3.42Å; S7-I11 PolarHBondContact O-N 3.06Å
8S63Low61.6Low72 Ų72114.5 Ų114.550%0.50359%0.594SS.*Hα-helixtrans-58.8-36.6173.657.40000113.6P6 S12P6-S8 PolarHBondContact O-N 2.93Å; S8-S12 WeakPolarHBondContact O-CB 3.43Å; S8-S12 PolarHBondContact O-N 2.99Å
9F56.3Low61.9Low125 Ų125113.4 Ų113.455%0.54859%0.588SS.*Hα-helixtrans-71.2-38.1176.3-83.1-83.8000112L5 P6 S7 S12 T13L5-F9 HydrophobicContact CD2-CB 4.14Å; P6-F9 HydrophobicContact CB-CD2 4.15Å; P6-F9 HydrophobicContact CG-CD2 3.98Å; P6-F9 HydrophobicContact CG-CE2 4.35Å; P6-F9 PolarHBondContact O-N 3.21Å; S7-F9 VanDerWaalsContact C-N 3.32Å; S7-F9 PolarHBondContact O-N 3.29Å; F9-S12 PolarHBondContact O-N 3.04Å; F9-T13 WeakPolarHBondContact O-CG2 3.47Å; F9-T13 PolarHBondContact O-N 3.32Å; F9-T13 PolarHBondContact O-OG1 2.86Å; F9-T13 VanDerWaalsContact O-OG1 3.09Å
10L60.9Low62.1Low98 Ų98111.8 Ų111.851%0.51358%0.58SS.*Hα-helixtrans-67.3-37.9177-64.2176.7000112S7 T13 C14S7-L10 PolarHBondContact O-N 2.92Å; L10-T13 PolarHBondContact O-OG1 2.84Å; L10-T13 VanDerWaalsContact O-OG1 3.1Å; L10-C14 VanDerWaalsContact O-CB 3.25Å; L10-C14 WeakPolarHBondContact O-CB 3.31Å; L10-C14 PolarHBondContact O-N 3.25Å; L10-C14 PolarHBondContact O-SG 3.32Å
11I68.6Low62Low103 Ų103109.5 Ų109.553%0.52857%0.571SS.*Hα-helixtrans-66.2-45.2175.1-64.9163.3000110S7 C14 L15S7-I11 WeakPolarHBondContact O-CG1 3.42Å; S7-I11 PolarHBondContact O-N 3.06Å; I11-C14 PolarHBondContact O-N 3.39Å; I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.36Å
12S75.2Confident63Low73 Ų73105.8 Ų105.851%0.5155%0.549SS..Hα-helixtrans-61.5-46178.8-1750000112.2S8 F9 L15 L16S8-S12 WeakPolarHBondContact O-CB 3.43Å; S8-S12 PolarHBondContact O-N 2.99Å; F9-S12 PolarHBondContact O-N 3.04Å; S12-L15 PolarHBondContact O-N 3.2Å; S12-L16 WeakPolarHBondContact O-CB 3.25Å; S12-L16 PolarHBondContact O-N 3.33Å
13T71.5Confident63.6Low76 Ų76101.2 Ų101.247%0.46654%0.536SS..Hα-helixtrans-67.4-40.1176.855.90000112F9 L10 L16 V17F9-T13 WeakPolarHBondContact O-CG2 3.47Å; F9-T13 PolarHBondContact O-N 3.32Å; F9-T13 PolarHBondContact O-OG1 2.86Å; F9-T13 VanDerWaalsContact O-OG1 3.09Å; L10-T13 PolarHBondContact O-OG1 2.84Å; L10-T13 VanDerWaalsContact O-OG1 3.1Å; T13-L16 PolarHBondContact O-N 3.14Å; T13-V17 WeakPolarHBondContact O-CB 3.33Å; T13-V17 VanDerWaalsContact O-CG2 3.25Å; T13-V17 WeakPolarHBondContact O-CG2 3.48Å; T13-V17 PolarHBondContact O-N 2.92Å
14C71.7Confident64Low71 Ų7197.1 Ų97.148%0.4852%0.523SS..Hα-helixtrans-62-43.9174.1-74.30000111.9L10 I11 L16 V17 I18L10-C14 VanDerWaalsContact O-CB 3.25Å; L10-C14 WeakPolarHBondContact O-CB 3.31Å; L10-C14 PolarHBondContact O-N 3.25Å; L10-C14 PolarHBondContact O-SG 3.32Å; I11-C14 PolarHBondContact O-N 3.39Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.25Å; C14-V17 PolarHBondContact O-N 2.89Å; C14-I18 WeakPolarHBondContact O-CB 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.45Å; C14-I18 WeakPolarHBondContact O-CG1 3.46Å; C14-I18 PolarHBondContact O-N 2.89Å
15L72.3Confident64.2Low96 Ų9695.9 Ų95.950%0.50352%0.518SS..Hα-helixtrans-61.9-42176.1-75169.2000111.3I11 S12 I18 L19I11-L15 HydrophobicContact CG2-CD1 3.81Å; I11-L15 HydrophobicContact CG2-CG 4.31Å; I11-L15 WeakPolarHBondContact O-CB 3.48Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 3.36Å; S12-L15 PolarHBondContact O-N 3.2Å; L15-I18 PolarHBondContact O-N 3.43Å; L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.05Å
16L74.2Confident65.1Low105 Ų10592.2 Ų92.255%0.5550%0.502SS..Hα-helixtrans-62.6-45.1175.6-158.998000111.4S12 T13 C14 L19 L20S12-L16 WeakPolarHBondContact O-CB 3.25Å; S12-L16 PolarHBondContact O-N 3.33Å; T13-L16 PolarHBondContact O-N 3.14Å; C14-L16 VanDerWaalsContact C-N 3.33Å; C14-L16 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-L20 HydrophobicContact CD2-CD1 3.94Å; L16-L20 HydrophobicContact CG-CD1 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3Å
17V71.6Confident66.4Low82 Ų8293.3 Ų93.350%0.49750%0.501SS..Hα-helixtrans-64.7-41176.8172.20000111.1T13 C14 L20 T21T13-V17 WeakPolarHBondContact O-CB 3.33Å; T13-V17 VanDerWaalsContact O-CG2 3.25Å; T13-V17 WeakPolarHBondContact O-CG2 3.48Å; T13-V17 PolarHBondContact O-N 2.92Å; C14-V17 PolarHBondContact O-N 2.89Å; V17-L20 PolarHBondContact O-N 3.14Å; V17-T21 HydrophobicContact CG1-CG2 4.3Å; V17-T21 WeakPolarHBondContact O-CB 3.44Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 3.33Å; V17-T21 PolarHBondContact O-OG1 3.27Å
18I69.7Low67.7Low84 Ų8489.8 Ų89.843%0.43148%0.475SS..Hα-helixtrans-65.8-41.7175.9-68.7163.4000110.8C14 L15 T21 K22C14-I18 WeakPolarHBondContact O-CB 3.29Å; C14-I18 WeakPolarHBondContact O-CD1 3.45Å; C14-I18 WeakPolarHBondContact O-CG1 3.46Å; C14-I18 PolarHBondContact O-N 2.89Å; L15-I18 PolarHBondContact O-N 3.43Å; I18-T21 VanDerWaalsContact CA-OG1 3.29Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 3.17Å; I18-K22 HydrophobicContact CG2-CD 4.4Å; I18-K22 WeakPolarHBondContact O-CB 3.11Å; I18-K22 VanDerWaalsContact O-CG 3.3Å; I18-K22 WeakPolarHBondContact O-CG 3.2Å; I18-K22 PolarHBondContact O-N 3.23Å
19L66.9Low69.1Low94 Ų9488.9 Ų88.949%0.49247%0.466SS..Hα-helixtrans-63.3-50.5175.6-79.5161.6000110.5L15 L16 T21 K22 F23L15-L19 VanDerWaalsContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 VanDerWaalsContact O-CG 3.27Å; L15-L19 WeakPolarHBondContact O-CG 3.42Å; L15-L19 PolarHBondContact O-N 3.05Å; L16-L19 PolarHBondContact O-N 3.47Å; L19-T21 PolarHBondContact O-N 2.91Å; L19-K22 WeakPolarHBondContact O-CB 3.48Å; L19-K22 PolarHBondContact O-N 3.32Å; L19-F23 WeakPolarHBondContact O-CD2 3.35Å; L19-F23 PolarHBondContact O-N 3.2Å
20L65.9Low70.8Confident80 Ų8083.7 Ų83.742%0.41945%0.445SS..Hα-helixtrans-59.8-47.4178.4-72.5168.5000111.2L16 V17 K22 F23 F24L16-L20 HydrophobicContact CD2-CD1 3.94Å; L16-L20 HydrophobicContact CG-CD1 4.15Å; L16-L20 WeakPolarHBondContact O-CB 3.48Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3Å; V17-L20 PolarHBondContact O-N 3.14Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.47Å; L20-F23 WeakPolarHBondContact O-CB 3.32Å; L20-F23 PolarHBondContact O-N 3.05Å; L20-F23 VanDerWaalsContact O-N 3.08Å; L20-F24 HydrophobicContact CB-CD2 4.38Å; L20-F24 HydrophobicContact CB-CE2 4.28Å; L20-F24 WeakPolarHBondContact O-CD2 3.48Å; L20-F24 PolarHBondContact O-N 3.22Å
21T60.5Low72.2Confident65 Ų6585.4 Ų85.440%0.39945%0.451SS..Hα-helixtrans-62.8-36.3177.251.20000112.5V17 I18 L19 N25V17-T21 HydrophobicContact CG1-CG2 4.3Å; V17-T21 WeakPolarHBondContact O-CB 3.44Å; V17-T21 WeakPolarHBondContact O-CG2 3.47Å; V17-T21 PolarHBondContact O-N 3.33Å; V17-T21 PolarHBondContact O-OG1 3.27Å; I18-T21 VanDerWaalsContact CA-OG1 3.29Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 3.17Å; L19-T21 PolarHBondContact O-N 2.91Å; T21-N25 WeakPolarHBondContact O-CB 3.44Å; T21-N25 VanDerWaalsContact O-CG 3.23Å; T21-N25 PolarHBondContact O-N 3.22Å; T21-N25 PolarHBondContact O-ND2 3.13Å
22K60.4Low73Confident135 Ų13583.2 Ų83.259%0.58744%0.438SS*.Hα-helixtrans-63.1-43.2170.3-78.7-179.7178.9-176.60111.9I18 L19 L20 N25 C26I18-K22 HydrophobicContact CG2-CD 4.4Å; I18-K22 WeakPolarHBondContact O-CB 3.11Å; I18-K22 VanDerWaalsContact O-CG 3.3Å; I18-K22 WeakPolarHBondContact O-CG 3.2Å; I18-K22 PolarHBondContact O-N 3.23Å; L19-K22 WeakPolarHBondContact O-CB 3.48Å; L19-K22 PolarHBondContact O-N 3.32Å; L20-K22 VanDerWaalsContact C-N 3.32Å; L20-K22 PolarHBondContact O-N 3.47Å; K22-N25 PolarHBondContact O-N 3.4Å; K22-C26 PolarHBondContact O-N 3.42Å; K22-C26 PolarHBondContact O-SG 3.04Å
23F60.2Low73.7Confident152 Ų15280 Ų8067%0.66742%0.415SS*.Hα-helixtrans-63.4-44.6176.4-86.9-74.5000112.3L19 L20 N25 C26L19-F23 WeakPolarHBondContact O-CD2 3.35Å; L19-F23 PolarHBondContact O-N 3.2Å; L20-F23 WeakPolarHBondContact O-CB 3.32Å; L20-F23 PolarHBondContact O-N 3.05Å; L20-F23 VanDerWaalsContact O-N 3.08Å; F23-N25 PolarHBondContact O-N 2.91Å; F23-C26 PolarHBondContact O-N 3.34Å
24F57.8Low74.5Confident117 Ų11782.6 Ų82.651%0.51342%0.42SS..Hα-helixtrans-63.4-39.2176.7-76.9-68.9000112.2L20 C26L20-F24 HydrophobicContact CB-CD2 4.38Å; L20-F24 HydrophobicContact CB-CE2 4.28Å; L20-F24 WeakPolarHBondContact O-CD2 3.48Å; L20-F24 PolarHBondContact O-N 3.22Å; F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 2.76Å
25N57.9Low75.1Confident116 Ų11685.7 Ų85.762%0.6243%0.432SS*.Hα-helixtrans-72-14.3177.3-73.9-22.4000114.2T21 K22 F23T21-N25 WeakPolarHBondContact O-CB 3.44Å; T21-N25 VanDerWaalsContact O-CG 3.23Å; T21-N25 PolarHBondContact O-N 3.22Å; T21-N25 PolarHBondContact O-ND2 3.13Å; K22-N25 PolarHBondContact O-N 3.4Å; F23-N25 PolarHBondContact O-N 2.91Å
26C68.8Low75.8Confident40 Ų4082.3 Ų82.327%0.2742%0.415SS..THydrogen-bonded Turntrans-97.66.6-178.9-74.20000113.8K22 F23 F24 F28 M269K22-C26 PolarHBondContact O-N 3.42Å; K22-C26 PolarHBondContact O-SG 3.04Å; F23-C26 PolarHBondContact O-N 3.34Å; F24-C26 VanDerWaalsContact C-N 3.26Å; F24-C26 PolarHBondContact O-N 2.76Å; C26-F28 PolarHBondContact O-N 3.39Å; C26-M269 WeakPolarHBondContact O-CE 3.34Å
27Q81.5Confident76.5Confident89 Ų8984 Ų8442%0.41642%0.418SS..  trans-72127.5178.1-69.2-171-13.100111.1T29 L193Q27-T29 PolarHBondContact O-N 3.23Å; Q27-L193 HydrophobicContact CB-CD1 3.77Å; Q27-L193 HydrophobicContact CG-CD1 4.05Å; Q27-L193 VanDerWaalsContact OE1-CD1 3.24Å
28F87.2Confident77.4Confident13 Ų1381.3 Ų81.36%0.05740%0.399CS..  trans-80.899-178.3-173.9-105.5000109.9C26 H32 I33 Y190 C192 L193 K266 M269C26-F28 PolarHBondContact O-N 3.39Å; F28-H32 HydrophobicContact CE2-CB 4.22Å; F28-H32 AromaticContact CE2-CG 3.98Å; F28-H32 AromaticContact CE2-ND1 3.72Å; F28-I33 HydrophobicContact CE1-CG2 4.37Å; F28-I33 HydrophobicContact CZ-CG2 3.66Å; F28-Y190 AromaticContact CE1-CD1 3.57Å; F28-Y190 HydrophobicContact CE1-CD1 3.57Å; F28-Y190 AromaticContact CE1-CE1 3.84Å; F28-Y190 HydrophobicContact CE1-CE1 3.84Å; F28-Y190 HydrophobicContact CE1-CG 4.16Å; F28-Y190 HydrophobicContact CZ-CD1 4Å; F28-Y190 AromaticContact CZ-CE1 3.86Å; F28-Y190 HydrophobicContact CZ-CE1 3.86Å; F28-C192 HydrophobicContact CD1-CB 3.64Å; F28-C192 HydrophobicContact CE1-CB 3.88Å; F28-C192 CarbonylContact O-C 3.57Å; F28-C192 WeakPolarHBondContact O-CA 3.33Å; F28-L193 PolarHBondContact O-N 2.99Å; F28-K266 HydrophobicContact CB-CG 4.35Å; F28-K266 HydrophobicContact CD1-CB 4.43Å; F28-K266 HydrophobicContact CD2-CB 4.17Å; F28-K266 HydrophobicContact CD2-CG 4.48Å; F28-K266 HydrophobicContact CE2-CB 4.26Å; F28-K266 HydrophobicContact CG-CB 4.25Å; F28-K266 HydrophobicContact CG-CG 4.22Å; F28-K266 HydrophobicContact CZ-CB 4.42Å; F28-M269 VanDerWaalsContact CA-CE 3.42Å; F28-M269 HydrophobicContact CB-CE 3.71Å; F28-M269 HydrophobicContact CD2-CE 3.86Å; F28-M269 HydrophobicContact CD2-SD 3.94Å; F28-M269 HydrophobicContact CG-CE 4.3Å
29T91.4Very high78.6Confident53 Ų5380.6 Ų80.633%0.32540%0.396SS..BIsolated β-bridgetrans-84.1151.1178.665.10000111Q27 E31 H32 L193Q27-T29 PolarHBondContact O-N 3.23Å; T29-E31 PolarHBondContact O-N 3.32Å; T29-H32 WeakPolarHBondContact O-CB 3.36Å; T29-H32 PolarHBondContact O-N 3.22Å; T29-L193 CarbonylContact C-O 3.54Å; T29-L193 WeakPolarHBondContact CA-O 3.32Å
30C92Very high79.9Confident16 Ų1680.2 Ų80.211%0.10839%0.39CS..G310 helixtrans-67.3-18.1179.7-58.20000113.3H32 I33 K34 C192 L193 V200 E202C30-H32 PolarHBondContact O-N 2.92Å; C30-I33 VanDerWaalsContact O-CG1 3.27Å; C30-I33 WeakPolarHBondContact O-CG1 3.19Å; C30-I33 PolarHBondContact O-N 3.1Å; C30-K34 PolarHBondContact O-N 2.84Å; C30-C192 WeakPolarHBondContact CA-SG 3.48Å; C30-C192 HydrophobicContact CB-CB 3.99Å; C30-C192 WeakPolarHBondContact CB-SG 3.44Å; C30-C192 VanDerWaalsContact SG-C 3.54Å; C30-C192 WeakPolarHBondContact SG-CB 3.38Å; C30-C192 CovalentContact SG-SG 2.04Å; C30-C192 PolarHBondContact SG-SG 3.39Å; C30-L193 PolarHBondContact N-O 2.89Å; C30-L193 PolarHBondContact SG-O 3.04Å; C30-V200 WeakPolarHBondContact SG-CG2 3.02Å; C30-E202 HydrophobicContact CB-CG 3.86Å; C30-E202 VanDerWaalsContact SG-CG 3.55Å
31E90.2Very high81.4Confident134 Ų13480.5 Ų80.563%0.62639%0.392SS*.G310 helixtrans-59.4-31.7175.4-173.8167.1-156.700112.4T29 I33 K34T29-E31 PolarHBondContact O-N 3.32Å; E31-I33 VanDerWaalsContact C-N 3.26Å; E31-I33 PolarHBondContact O-N 3.45Å; E31-K34 WeakPolarHBondContact O-CB 3.06Å; E31-K34 PolarHBondContact O-N 3.08Å
32H86.7Confident83.1Confident57 Ų5781.6 Ų81.626%0.26439%0.394SS..G310 helixtrans-63.2-30.6-178.9-176.1-80.1000113.8F28 T29 C30 G260F28-H32 HydrophobicContact CE2-CB 4.22Å; F28-H32 AromaticContact CE2-CG 3.98Å; F28-H32 AromaticContact CE2-ND1 3.72Å; T29-H32 WeakPolarHBondContact O-CB 3.36Å; T29-H32 PolarHBondContact O-N 3.22Å; C30-H32 PolarHBondContact O-N 2.92Å; H32-G260 PolarHBondContact CE1-O 3.22Å
33I89.9Confident84.9Confident4 Ų480.6 Ų80.62%0.02139%0.39CS..G310 helixtrans-109.10.5-178.357.2158.6000112.5F28 C30 E31 D35 V36 Y190 E202 Y204F28-I33 HydrophobicContact CE1-CG2 4.37Å; F28-I33 HydrophobicContact CZ-CG2 3.66Å; C30-I33 VanDerWaalsContact O-CG1 3.27Å; C30-I33 WeakPolarHBondContact O-CG1 3.19Å; C30-I33 PolarHBondContact O-N 3.1Å; E31-I33 VanDerWaalsContact C-N 3.26Å; E31-I33 PolarHBondContact O-N 3.45Å; I33-D35 PolarHBondContact O-N 3.42Å; I33-V36 WeakPolarHBondContact O-CG2 3.14Å; I33-V36 PolarHBondContact O-N 3.26Å; I33-Y190 HydrophobicContact CB-CD2 4.37Å; I33-Y190 HydrophobicContact CD1-CD2 3.75Å; I33-Y190 HydrophobicContact CD1-CG 3.71Å; I33-Y190 HydrophobicContact CG2-CD2 3.79Å; I33-Y190 HydrophobicContact CG2-CE2 3.86Å; I33-Y190 HydrophobicContact CG2-CG 4.4Å; I33-E202 HydrophobicContact CD1-CB 4.12Å; I33-Y204 HydrophobicContact CB-CD2 4.24Å; I33-Y204 HydrophobicContact CG2-CD2 4.35Å
34K87.8Confident86.7Confident132 Ų13277.1 Ų77.157%0.57438%0.376SS*.THydrogen-bonded Turntrans-62.5137.4-178-164.8-166.3169.2-159.20109.3C30 E31 V36C30-K34 PolarHBondContact O-N 2.84Å; E31-K34 WeakPolarHBondContact O-CB 3.06Å; E31-K34 PolarHBondContact O-N 3.08Å; K34-V36 PolarHBondContact O-N 3.29Å
35D84.4Confident88.6Confident136 Ų13674.7 Ų74.773%0.72737%0.369SS*.THydrogen-bonded Turntrans60.514176.9-49.8-45.1000114I33 K37I33-D35 PolarHBondContact O-N 3.42Å; D35-K37 PolarHBondContact O-N 3.32Å; D35-K37 VanDerWaalsContact O-N 3.09Å
36V87.7Confident90.3Very high25 Ų2575.4 Ų75.415%0.15238%0.377CS..  trans-70.2110.4172.6179.80000109I33 K34 Y204 N205 R261I33-V36 WeakPolarHBondContact O-CG2 3.14Å; I33-V36 PolarHBondContact O-N 3.26Å; K34-V36 PolarHBondContact O-N 3.29Å; V36-Y204 HydrophobicContact CB-CD2 4.11Å; V36-Y204 HydrophobicContact CB-CE2 3.91Å; V36-Y204 HydrophobicContact CG1-CD2 4.17Å; V36-Y204 HydrophobicContact CG1-CE2 3.48Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.48Å; V36-N205 PolarHBondContact O-N 3.45Å; V36-R261 HydrophobicContact CG2-CB 4.27Å
37K88.7Confident91.7Very high141 Ų14176 Ų7661%0.61338%0.382SS*.  trans-137.9127.2174.1-174.3-176.8178-172.50108.5D35 D39D35-K37 PolarHBondContact O-N 3.32Å; D35-K37 VanDerWaalsContact O-N 3.09Å; K37-D39 IonicContact NZ-OD2 3.69Å
38Y90.7Very high92.4Very high25 Ų2575 Ų7510%0.09838%0.375CS..  trans-122.9118.8168.9-177.2-81.7000108K40 D52 H53 Y54 N205 M246Y38-K40 HydrophobicContact CE1-CB 4.09Å; Y38-D52 WeakPolarHBondContact CD1-O 3.42Å; Y38-D52 HydrophobicContact CE1-CB 4.31Å; Y38-D52 WeakPolarHBondContact CE1-O 2.94Å; Y38-H53 VanDerWaalsContact O-CA 3.3Å; Y38-H53 WeakPolarHBondContact O-CA 3.06Å; Y38-Y54 VanDerWaalsContact CD1-N 3.34Å; Y38-N205 PolarHBondContact N-OD1 3.16Å; Y38-M246 HydrophobicContact CD2-CE 3.24Å; Y38-M246 HydrophobicContact CE2-CE 3.5Å; Y38-M246 HydrophobicContact CG-CE 4.07Å
39D93.2Very high93Very high69 Ų6976 Ų7637%0.36938%0.378SS..  trans-145.4107.4-178.7-179.6-1000107.8K37 H53K37-D39 IonicContact NZ-OD2 3.69Å; D39-H53 IonicContact OD1-CE1 3.87Å; D39-H53 PolarHBondContact OD1-CE1 3.19Å; D39-H53 VanDerWaalsContact OD1-CE1 3.29Å; D39-H53 IonicContact OD1-ND1 2.97Å; D39-H53 IonicContact OD1-NE2 3.06Å; D39-H53 IonicContact OD2-CE1 2.8Å
40K94.8Very high93.3Very high85 Ų8576.2 Ų76.237%0.3737%0.373SS..EExtended strand (participates in β ladder)trans-118.5106.5-179.8-177.9175.7-169157.90109.1Y38 I42 S51 D52 D245Y38-K40 HydrophobicContact CE1-CB 4.09Å; K40-I42 PolarHBondContact O-N 3.08Å; K40-S51 CarbonylContact O-C 3.58Å; K40-S51 VanDerWaalsContact O-CA 3.29Å; K40-S51 WeakPolarHBondContact O-CA 3.39Å; K40-S51 WeakPolarHBondContact O-CB 3.41Å; K40-D52 HydrophobicContact CB-CB 4.29Å; K40-D52 PolarHBondContact N-O 3.32Å; K40-D52 PolarHBondContact O-N 2.03Å; K40-D245 IonicContact NZ-OD1 3.83Å; K40-D245 IonicContact NZ-OD2 3.91Å; K40-D245 PolarHBondContact NZ-OD2 2.85Å
41L97.3Very high93.6Very high87 Ų8775.5 Ų75.546%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-67.7124.5172.4-171.663.7000110E44 R49L41-E44 HydrophobicContact CD1-CB 4.17Å; L41-E44 HydrophobicContact CD2-CB 4.12Å; L41-R49 HydrophobicContact CD1-CG 3.88Å
42I97Very high93.9Very high87 Ų8769.4 Ų69.445%0.44634%0.34SS..EExtended strand (participates in β ladder)trans-98.7-45.1178-64.5170.1000109.8K40 Y50 D52 F57K40-I42 PolarHBondContact O-N 3.08Å; I42-Y50 HydrophobicContact CB-CD1 3.68Å; I42-Y50 HydrophobicContact CB-CE1 4.21Å; I42-Y50 HydrophobicContact CD1-CD1 3.73Å; I42-Y50 HydrophobicContact CD1-CE1 3.39Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.66Å; I42-Y50 HydrophobicContact CG2-CE1 4.05Å; I42-Y50 PolarHBondContact N-O 3.35Å; I42-D52 HydrophobicContact CD1-CB 4.01Å; I42-F57 HydrophobicContact CD1-CD1 4.49Å; I42-F57 HydrophobicContact CD1-CE1 4.42Å
43F97.8Very high94.4Very high114 Ų11466.9 Ų66.950%0.533%0.328SS..EExtended strand (participates in β ladder)trans-155.9141.3179.9-180-93.8000110.9N45 Y48 R49 Y50F43-N45 HydrophobicContact CE1-CB 4.24Å; F43-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F43-N45 HydrophobicContact CZ-CB 4.3Å; F43-Y48 AromaticContact CD1-CD1 3.48Å; F43-Y48 HydrophobicContact CD1-CD1 3.48Å; F43-Y48 VanDerWaalsContact CD1-CD1 3.48Å; F43-Y48 AromaticContact CD1-CE1 3.66Å; F43-Y48 HydrophobicContact CD1-CE1 3.66Å; F43-Y48 AromaticContact CE1-CD1 3.74Å; F43-Y48 HydrophobicContact CE1-CD1 3.74Å; F43-Y48 HydrophobicContact CE1-CE1 4.25Å; F43-R49 CarbonylContact O-C 3.5Å; F43-R49 WeakPolarHBondContact O-CA 3.15Å; F43-Y50 PolarHBondContact N-O 2.86Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.02Å
44E98.1Very high94.6Very high79 Ų7966.8 Ų66.837%0.36933%0.328SS..EExtended strand (participates in β ladder)trans-146138.2174.7-166.5172.683.400110.4L41 Y48 R49 F213L41-E44 HydrophobicContact CD1-CB 4.17Å; L41-E44 HydrophobicContact CD2-CB 4.12Å; E44-Y48 WeakPolarHBondContact CA-O 3.39Å; E44-R49 HydrophobicContact CB-CG 4.49Å; E44-R49 HydrophobicContact CG-CB 4.27Å; E44-R49 HydrophobicContact CG-CG 4.2Å; E44-R49 VanDerWaalsContact OE2-CD 3.27Å; E44-R49 WeakPolarHBondContact OE2-CD 2.97Å; E44-R49 IonicContact OE2-CZ 3.37Å; E44-R49 IonicContact OE2-NE 2.56Å; E44-R49 IonicContact OE2-NH1 2.74Å; E44-R49 PolarHBondContact OE2-NH1 3.22Å; E44-F213 HydrophobicContact CG-CE2 4.25Å; E44-F213 HydrophobicContact CG-CZ 4.1Å
45N97.1Very high95Very high67 Ų6760.6 Ų60.636%0.35830%0.301SS..  trans-140.2-170.7165.371.431.9000109.2F43 S47 Y48F43-N45 HydrophobicContact CE1-CB 4.24Å; F43-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F43-N45 HydrophobicContact CZ-CB 4.3Å; N45-S47 VanDerWaalsContact C-N 3.26Å; N45-S47 PolarHBondContact O-N 3.26Å; N45-S47 PolarHBondContact OD1-N 3.04Å; N45-S47 PolarHBondContact OD1-OG 2.84Å; N45-Y48 PolarHBondContact N-O 3.43Å; N45-Y48 WeakPolarHBondContact OD1-CB 2.97Å; N45-Y48 PolarHBondContact OD1-N 2.01Å
46T95.1Very high95.6Very high131 Ų13154.2 Ų54.280%0.80427%0.267SS*.SBendtrans-62.6-25.5-175.451.20000115.2L62T46-L62 WeakPolarHBondContact O-CD1 3.4Å
47S96.2Very high96.1Very high52 Ų5254.6 Ų54.636%0.36427%0.266SS..SBendtrans-125.2-1-174.163.10000114.1N45 R61 L62N45-S47 VanDerWaalsContact C-N 3.26Å; N45-S47 PolarHBondContact O-N 3.26Å; N45-S47 PolarHBondContact OD1-N 3.04Å; N45-S47 PolarHBondContact OD1-OG 2.84Å; S47-R61 WeakPolarHBondContact O-CA 3.38Å; S47-L62 PolarHBondContact O-N 3.39Å
48Y98.1Very high96.6Very high68 Ų6847.9 Ų47.927%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-146.3139.1-173.7179.9-81.7000111.5F43 E44 N45 T59 I60 R61F43-Y48 AromaticContact CD1-CD1 3.48Å; F43-Y48 HydrophobicContact CD1-CD1 3.48Å; F43-Y48 VanDerWaalsContact CD1-CD1 3.48Å; F43-Y48 AromaticContact CD1-CE1 3.66Å; F43-Y48 HydrophobicContact CD1-CE1 3.66Å; F43-Y48 AromaticContact CE1-CD1 3.74Å; F43-Y48 HydrophobicContact CE1-CD1 3.74Å; F43-Y48 HydrophobicContact CE1-CE1 4.25Å; E44-Y48 WeakPolarHBondContact CA-O 3.39Å; N45-Y48 PolarHBondContact N-O 3.43Å; N45-Y48 WeakPolarHBondContact OD1-CB 2.97Å; N45-Y48 PolarHBondContact OD1-N 2.01Å; Y48-T59 HydrophobicContact CE2-CG2 3.67Å; Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.37Å; Y48-R61 HydrophobicContact CD2-CG 3.93Å; Y48-R61 HydrophobicContact CE2-CG 4.23Å
49R98.5Very high97Very high33 Ų3347 Ų4713%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-138.6140.1171.6-176-175.7171.2135.2-11.1110.7L41 F43 E44 T59 I60 F213L41-R49 HydrophobicContact CD1-CG 3.88Å; F43-R49 CarbonylContact O-C 3.5Å; F43-R49 WeakPolarHBondContact O-CA 3.15Å; E44-R49 HydrophobicContact CB-CG 4.49Å; E44-R49 HydrophobicContact CG-CB 4.27Å; E44-R49 HydrophobicContact CG-CG 4.2Å; E44-R49 VanDerWaalsContact OE2-CD 3.27Å; E44-R49 WeakPolarHBondContact OE2-CD 2.97Å; E44-R49 IonicContact OE2-CZ 3.37Å; E44-R49 IonicContact OE2-NE 2.56Å; E44-R49 IonicContact OE2-NH1 2.74Å; E44-R49 PolarHBondContact OE2-NH1 3.22Å; R49-T59 CarbonylContact O-C 3.54Å; R49-T59 WeakPolarHBondContact O-CA 3.3Å; R49-I60 HydrophobicContact CB-CB 4.23Å; R49-I60 HydrophobicContact CB-CD1 4.48Å; R49-I60 HydrophobicContact CB-CG1 4.46Å; R49-I60 PolarHBondContact N-O 3.18Å; R49-I60 PolarHBondContact O-N 3.1Å; R49-F213 HydrophobicContact CB-CE1 4.13Å; R49-F213 HydrophobicContact CB-CE2 4.04Å; R49-F213 HydrophobicContact CB-CZ 3.75Å
50Y98.6Very high97.2Very high59 Ų5943.7 Ų43.723%0.23122%0.217CC..EExtended strand (participates in β ladder)trans-135.4129.5173.4-176.7-122.3000111.1I42 F43 F57 Q58 T59I42-Y50 HydrophobicContact CB-CD1 3.68Å; I42-Y50 HydrophobicContact CB-CE1 4.21Å; I42-Y50 HydrophobicContact CD1-CD1 3.73Å; I42-Y50 HydrophobicContact CD1-CE1 3.39Å; I42-Y50 HydrophobicContact CG1-CD1 4.28Å; I42-Y50 HydrophobicContact CG1-CE1 4.39Å; I42-Y50 HydrophobicContact CG2-CD1 3.66Å; I42-Y50 HydrophobicContact CG2-CE1 4.05Å; I42-Y50 PolarHBondContact N-O 3.35Å; F43-Y50 PolarHBondContact N-O 2.86Å; F43-Y50 VanDerWaalsContact N-O 3.13Å; F43-Y50 PolarHBondContact O-N 2.02Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.25Å; Y50-F57 HydrophobicContact CE2-CG 4.25Å; Y50-F57 AromaticContact CZ-CD1 3.84Å; Y50-F57 VanDerWaalsContact OH-CD1 3.28Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.44Å; Y50-F57 WeakPolarHBondContact OH-CG 3.26Å; Y50-Q58 WeakPolarHBondContact CA-O 3.48Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.35Å
51S98.2Very high97.4Very high0 Ų044.2 Ų44.20%022%0.216CC..EExtended strand (participates in β ladder)trans-147.1147.5-174.945.70000112.6K40 H53 F57 Q58K40-S51 CarbonylContact O-C 3.58Å; K40-S51 VanDerWaalsContact O-CA 3.29Å; K40-S51 WeakPolarHBondContact O-CA 3.39Å; K40-S51 WeakPolarHBondContact O-CB 3.41Å; S51-H53 WeakPolarHBondContact CB-NE2 3.25Å; S51-H53 PolarHBondContact OG-NE2 3.32Å; S51-F57 CarbonylContact O-C 3.21Å; S51-F57 WeakPolarHBondContact O-CA 3.16Å; S51-Q58 PolarHBondContact N-O 2.82Å; S51-Q58 PolarHBondContact O-N 3.38Å
52D96.4Very high97.4Very high6 Ų640.8 Ų40.83%0.03220%0.198CC..EExtended strand (participates in β ladder)trans-99.8119.4173.9178.93.2000109.4Y38 K40 I42 Y54 F57 N225 K243Y38-D52 WeakPolarHBondContact CD1-O 3.42Å; Y38-D52 HydrophobicContact CE1-CB 4.31Å; Y38-D52 WeakPolarHBondContact CE1-O 2.94Å; K40-D52 HydrophobicContact CB-CB 4.29Å; K40-D52 PolarHBondContact N-O 3.32Å; K40-D52 PolarHBondContact O-N 2.03Å; I42-D52 HydrophobicContact CD1-CB 4.01Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.37Å; D52-Y54 PolarHBondContact OD1-N 3.06Å; D52-F57 HydrophobicContact CB-CD1 3.84Å; D52-F57 HydrophobicContact CB-CE1 3.71Å; D52-N225 PolarHBondContact OD1-ND2 2.75Å; D52-K243 IonicContact OD2-NZ 3.26Å; D52-K243 PolarHBondContact OD2-NZ 2.88Å; D52-K243 VanDerWaalsContact OD2-NZ 3.16Å
53H96.1Very high97.3Very high5 Ų541.7 Ų41.72%0.02320%0.204CC..  trans-112.228.8178.7-62.9-91.8000112.1Y38 D39 S51 E55 Y56 N205 I207Y38-H53 VanDerWaalsContact O-CA 3.3Å; Y38-H53 WeakPolarHBondContact O-CA 3.06Å; D39-H53 IonicContact OD1-CE1 3.87Å; D39-H53 PolarHBondContact OD1-CE1 3.19Å; D39-H53 VanDerWaalsContact OD1-CE1 3.29Å; D39-H53 IonicContact OD1-ND1 2.97Å; D39-H53 IonicContact OD1-NE2 3.06Å; D39-H53 IonicContact OD2-CE1 2.8Å; S51-H53 WeakPolarHBondContact CB-NE2 3.25Å; S51-H53 PolarHBondContact OG-NE2 3.32Å; H53-E55 VanDerWaalsContact C-N 3.26Å; H53-E55 PolarHBondContact O-N 3.23Å; H53-Y56 WeakPolarHBondContact CA-O 3.43Å; H53-Y56 WeakPolarHBondContact CB-O 3.38Å; H53-Y56 PolarHBondContact N-O 3.41Å; H53-N205 PolarHBondContact O-ND2 3.34Å; H53-I207 HydrophobicContact CB-CD1 3.46Å; H53-I207 VanDerWaalsContact CB-CD1 3.46Å; H53-I207 HydrophobicContact CB-CG1 3.65Å; H53-I207 HydrophobicContact CB-CG2 4.32Å
54Y94.9Very high97.2Very high2 Ų239.4 Ų39.41%0.00820%0.195CC..SBendtrans66.7-59.3179.5-172.7-97.8000115.1Y38 D52 N225 S228 C229 F230 M246 N259 D262Y38-Y54 VanDerWaalsContact CD1-N 3.34Å; D52-Y54 WeakPolarHBondContact OD1-CA 3.37Å; D52-Y54 PolarHBondContact OD1-N 3.06Å; Y54-N225 VanDerWaalsContact O-CB 3.29Å; Y54-N225 WeakPolarHBondContact O-CB 3.3Å; Y54-N225 PolarHBondContact O-ND2 3.3Å; Y54-S228 VanDerWaalsContact O-CB 3.24Å; Y54-S228 WeakPolarHBondContact O-CB 3.38Å; Y54-S228 PolarHBondContact O-OG 3.05Å; Y54-C229 VanDerWaalsContact OH-CB 3.32Å; Y54-C229 WeakPolarHBondContact OH-CB 3.38Å; Y54-F230 HydrophobicContact CD1-CD1 4.35Å; Y54-F230 HydrophobicContact CD1-CE1 4.41Å; Y54-F230 AromaticContact CE1-CD1 3.63Å; Y54-F230 HydrophobicContact CE1-CD1 3.63Å; Y54-F230 HydrophobicContact CE1-CE1 4.12Å; Y54-M246 HydrophobicContact CD2-CE 3.49Å; Y54-M246 VanDerWaalsContact CD2-CE 3.49Å; Y54-M246 HydrophobicContact CD2-CG 3.99Å; Y54-M246 HydrophobicContact CD2-SD 3.97Å; Y54-M246 HydrophobicContact CE2-CE 3.75Å; Y54-M246 HydrophobicContact CE2-CG 3.56Å; Y54-M246 HydrophobicContact CE2-SD 3.55Å; Y54-M246 VanDerWaalsContact CE2-SD 3.55Å; Y54-M246 HydrophobicContact CG-CE 4.24Å; Y54-N259 VanDerWaalsContact CZ-ND2 3.31Å; Y54-N259 PolarHBondContact OH-ND2 2.82Å; Y54-D262 HydrophobicContact CD1-CB 4.44Å; Y54-D262 HydrophobicContact CE1-CB 3.36Å; Y54-D262 WeakPolarHBondContact OH-CB 3.45Å; Y54-D262 PolarHBondContact OH-OD2 2.81Å
55E96.1Very high96.9Very high2 Ų241.9 Ų41.91%0.00921%0.211CC..SBendtrans-82.1-25.5172.9-73.484.7-171.800113.5H53 Y92 Y204 N205 N225 F230 T263H53-E55 VanDerWaalsContact C-N 3.26Å; H53-E55 PolarHBondContact O-N 3.23Å; E55-Y92 HydrophobicContact CB-CD1 3.68Å; E55-Y92 HydrophobicContact CB-CE1 4.03Å; E55-Y92 HydrophobicContact CB-CG 4.25Å; E55-Y92 HydrophobicContact CG-CD1 3.51Å; E55-Y92 HydrophobicContact CG-CE1 4.15Å; E55-Y92 HydrophobicContact CG-CG 4.24Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.39Å; E55-Y204 PolarHBondContact OE1-OH 2.85Å; E55-N205 PolarHBondContact OE2-ND2 3.23Å; E55-N225 PolarHBondContact O-N 3.44Å; E55-F230 HydrophobicContact CB-CE1 4.21Å; E55-F230 HydrophobicContact CB-CZ 3.99Å; E55-F230 HydrophobicContact CG-CD1 4.38Å; E55-F230 HydrophobicContact CG-CE1 3.67Å; E55-F230 HydrophobicContact CG-CE2 4.28Å; E55-F230 HydrophobicContact CG-CZ 3.62Å; E55-T263 HydrophobicContact CG-CG2 4.27Å
56Y98Very high96.5Very high2 Ų242.3 Ų42.31%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-137.6146.5-178.1-71.8-89.2000111.5H53 Y91 Y92 M166 I186 I207 F222 E223 P224H53-Y56 WeakPolarHBondContact CA-O 3.43Å; H53-Y56 WeakPolarHBondContact CB-O 3.38Å; H53-Y56 PolarHBondContact N-O 3.41Å; Y56-Y91 WeakPolarHBondContact OH-CA 3.47Å; Y56-Y92 HydrophobicContact CD2-CD2 4.29Å; Y56-Y92 HydrophobicContact CD2-CE2 4.12Å; Y56-Y92 AromaticContact CE2-CD2 3.5Å; Y56-Y92 HydrophobicContact CE2-CD2 3.5Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.5Å; Y56-Y92 AromaticContact CE2-CE2 3.69Å; Y56-Y92 HydrophobicContact CE2-CE2 3.69Å; Y56-Y92 AromaticContact CE2-CG 3.97Å; Y56-Y92 HydrophobicContact CE2-CG 3.97Å; Y56-Y92 PolarHBondContact OH-N 3.04Å; Y56-M166 HydrophobicContact CD1-CE 4.39Å; Y56-M166 HydrophobicContact CE1-CE 3.64Å; Y56-M166 HydrophobicContact CE2-CE 4.43Å; Y56-I186 HydrophobicContact CD2-CD1 4.23Å; Y56-I186 HydrophobicContact CE2-CD1 4.4Å; Y56-I207 HydrophobicContact CD2-CD1 4.04Å; Y56-I207 HydrophobicContact CG-CD1 4.34Å; Y56-F222 HydrophobicContact CD1-CB 3.79Å; Y56-F222 HydrophobicContact CE1-CB 4.33Å; Y56-F222 HydrophobicContact CG-CB 4.34Å; Y56-E223 CarbonylContact C-O 3.54Å; Y56-E223 VanDerWaalsContact CA-O 3.24Å; Y56-E223 WeakPolarHBondContact CA-O 3.48Å; Y56-E223 VanDerWaalsContact CD1-C 3.48Å; Y56-P224 HydrophobicContact CD1-CG 4.4Å; Y56-P224 HydrophobicContact CE1-CB 4.32Å; Y56-P224 HydrophobicContact CE1-CG 3.84Å
57F98.1Very high96.1Very high33 Ų3337.5 Ų37.515%0.14519%0.187CC..EExtended strand (participates in β ladder)trans-85.3137.9153.4-62.9-73.3000109I42 Y50 S51 D52 F222 E223 N225I42-F57 HydrophobicContact CD1-CD1 4.49Å; I42-F57 HydrophobicContact CD1-CE1 4.42Å; Y50-F57 HydrophobicContact CE2-CB 3.8Å; Y50-F57 HydrophobicContact CE2-CD1 4.25Å; Y50-F57 HydrophobicContact CE2-CG 4.25Å; Y50-F57 AromaticContact CZ-CD1 3.84Å; Y50-F57 VanDerWaalsContact OH-CD1 3.28Å; Y50-F57 WeakPolarHBondContact OH-CD1 3.44Å; Y50-F57 WeakPolarHBondContact OH-CG 3.26Å; S51-F57 CarbonylContact O-C 3.21Å; S51-F57 WeakPolarHBondContact O-CA 3.16Å; D52-F57 HydrophobicContact CB-CD1 3.84Å; D52-F57 HydrophobicContact CB-CE1 3.71Å; F57-F222 WeakPolarHBondContact O-CA 3.36Å; F57-E223 PolarHBondContact N-O 3.48Å; F57-E223 PolarHBondContact O-N 3.48Å; F57-N225 HydrophobicContact CD2-CB 4.02Å; F57-N225 HydrophobicContact CE2-CB 3.82Å; F57-N225 VanDerWaalsContact CE2-CG 3.41Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.22Å; F57-N225 HydrophobicContact CZ-CB 4.38Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.27Å
58Q98.5Very high95.4Very high0 Ų041.8 Ų41.80%021%0.21CC..EExtended strand (participates in β ladder)trans-110.9122.4173.6-176.5-171.759.500109.3Y50 S51 I60 H208 V220 E221 F222Y50-Q58 WeakPolarHBondContact CA-O 3.48Å; S51-Q58 PolarHBondContact N-O 2.82Å; S51-Q58 PolarHBondContact O-N 3.38Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.12Å; Q58-H208 PolarHBondContact NE2-O 2.88Å; Q58-H208 VanDerWaalsContact NE2-O 3.08Å; Q58-V220 HydrophobicContact CG-CG1 4.17Å; Q58-E221 VanDerWaalsContact CA-O 3.3Å; Q58-E221 WeakPolarHBondContact CA-O 3.3Å; Q58-F222 HydrophobicContact CB-CD1 4.32Å; Q58-F222 HydrophobicContact CB-CE1 4.37Å; Q58-F222 HydrophobicContact CG-CD1 4.23Å; Q58-F222 HydrophobicContact CG-CE1 3.93Å
59T98.6Very high94.5Very high6 Ų640.2 Ų40.24%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-113.4131.8171.7-50.90000109.2Y48 R49 Y50 R61 V220 E221Y48-T59 HydrophobicContact CE2-CG2 3.67Å; R49-T59 CarbonylContact O-C 3.54Å; R49-T59 WeakPolarHBondContact O-CA 3.3Å; Y50-T59 WeakPolarHBondContact CD2-OG1 3.35Å; T59-R61 HydrophobicContact CG2-CG 4.25Å; T59-V220 CarbonylContact O-C 3.48Å; T59-V220 WeakPolarHBondContact O-CA 3.32Å; T59-E221 PolarHBondContact N-O 3.13Å; T59-E221 PolarHBondContact O-N 2.95Å; T59-E221 PolarHBondContact OG1-OE1 3.37Å
60I98.5Very high93.3Very high0 Ų042.8 Ų42.80%023%0.231CC..EExtended strand (participates in β ladder)trans-124.3134.9176-47.3179.5000109.2Y48 R49 Q58 V209 P210 F213 T218 F219 V220Y48-I60 VanDerWaalsContact CA-O 3.28Å; Y48-I60 WeakPolarHBondContact CA-O 3.37Å; R49-I60 HydrophobicContact CB-CB 4.23Å; R49-I60 HydrophobicContact CB-CD1 4.48Å; R49-I60 HydrophobicContact CB-CG1 4.46Å; R49-I60 PolarHBondContact N-O 3.18Å; R49-I60 PolarHBondContact O-N 3.1Å; Q58-I60 HydrophobicContact CG-CD1 4.43Å; Q58-I60 HydrophobicContact CG-CG1 4.12Å; I60-V209 HydrophobicContact CD1-CG1 4.18Å; I60-P210 VanDerWaalsContact CD1-CD 3.43Å; I60-P210 HydrophobicContact CD1-CG 4.11Å; I60-F213 HydrophobicContact CB-CD1 4.19Å; I60-F213 HydrophobicContact CD1-CB 4.24Å; I60-F213 HydrophobicContact CD1-CG 4.37Å; I60-F213 HydrophobicContact CG2-CB 3.88Å; I60-F213 HydrophobicContact CG2-CD1 3.65Å; I60-F213 HydrophobicContact CG2-CG 4.02Å; I60-T218 HydrophobicContact CG2-CG2 3.65Å; I60-F219 CarbonylContact C-O 3.54Å; I60-F219 WeakPolarHBondContact CA-O 3.25Å; I60-V220 HydrophobicContact CG1-CG1 4.26Å; I60-V220 HydrophobicContact CG1-CG2 4.34Å; I60-V220 HydrophobicContact CG2-CG2 4.11Å
61R98.2Very high92Very high95 Ų9542.2 Ų42.236%0.35824%0.243SC..EExtended strand (participates in β ladder)trans-134.9127.2179.2-52.3-177.6-171.7160.94.9109.4S47 Y48 T59 Q64 F219S47-R61 WeakPolarHBondContact O-CA 3.38Å; Y48-R61 HydrophobicContact CD2-CG 3.93Å; Y48-R61 HydrophobicContact CE2-CG 4.23Å; T59-R61 HydrophobicContact CG2-CG 4.25Å; R61-Q64 HydrophobicContact CB-CG 3.77Å; R61-F219 PolarHBondContact N-O 3.09Å; R61-F219 PolarHBondContact O-N 2.95Å
62L96.6Very high91.2Very high16 Ų1649.6 Ų49.68%0.08428%0.283CS..SBendtrans-86.8164.9174-57.7-171.8000111.3T46 S47 Q64 F213 K215 T218T46-L62 WeakPolarHBondContact O-CD1 3.4Å; S47-L62 PolarHBondContact O-N 3.39Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.87Å; L62-Q64 PolarHBondContact O-NE2 2.96Å; L62-F213 HydrophobicContact CD1-CD1 4.3Å; L62-F213 HydrophobicContact CD1-CE1 4.49Å; L62-F213 HydrophobicContact CD2-CB 4.49Å; L62-F213 HydrophobicContact CD2-CD1 3.8Å; L62-F213 HydrophobicContact CG-CD1 3.99Å; L62-F213 HydrophobicContact CG-CE1 4.32Å; L62-K215 HydrophobicContact CD1-CD 4.35Å; L62-T218 HydrophobicContact CD2-CG2 3.89Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.13Å
63D95.4Very high90.7Very high106 Ų10651.8 Ų51.857%0.56729%0.294SS*.SBendtrans55.636.9174-56-52.4000114.4R217D63-R217 PolarHBondContact N-O 3.35Å
64Q95.8Very high90.5Very high66 Ų6654.7 Ų54.731%0.30832%0.315SS..PPolyproline II helixtrans-83.5154178-57.1-58.5-80.200111.3R61 L62 Y169 R217 F219R61-Q64 HydrophobicContact CB-CG 3.77Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.87Å; L62-Q64 PolarHBondContact O-NE2 2.96Å; Q64-Y169 HydrophobicContact CB-CE2 4.43Å; Q64-Y169 PolarHBondContact O-OH 2.82Å; Q64-R217 PolarHBondContact N-O 3.35Å; Q64-R217 PolarHBondContact O-NE 2.95Å; Q64-F219 HydrophobicContact CB-CB 4.09Å; Q64-F219 HydrophobicContact CG-CB 3.68Å
65D92.9Very high90.4Very high130 Ų13061.1 Ų61.170%0.69534%0.343SS*.PPolyproline II helixtrans-80.1155.6171.8-64.8-32.9000111.1R217D65-R217 IonicContact OD1-NH2 3.02Å; D65-R217 PolarHBondContact OD1-NH2 2.89Å
66T87.6Confident90.2Very high76 Ų7663.8 Ų63.847%0.46636%0.355SS..PPolyproline II helixtrans-61.1125.7-179.6-60.80000110.1V68 Y169T66-V68 PolarHBondContact O-N 2.95Å; T66-Y169 WeakPolarHBondContact CA-OH 3.46Å; T66-Y169 HydrophobicContact CG2-CE1 3.88Å; T66-Y169 PolarHBondContact N-OH 3.38Å; T66-Y169 WeakPolarHBondContact OG1-CE1 3.41Å; T66-Y169 PolarHBondContact OG1-OH 3.19Å
67P87.3Confident89.6Confident31 Ų3171.7 Ų71.720%0.20139%0.392CS..PPolyproline II helixtrans-65.9138-179.328-34.9000110.2V69 L157 L159 Y169P67-V69 PolarHBondContact O-N 3.39Å; P67-L157 HydrophobicContact CG-CD2 3.72Å; P67-L159 HydrophobicContact CG-CD1 4.44Å; P67-Y169 VanDerWaalsContact CD-CD1 3.4Å; P67-Y169 HydrophobicContact CG-CD1 4.12Å; P67-Y169 HydrophobicContact CG-CG 4.07Å
68V80.7Confident89Confident141 Ų14172.4 Ų72.486%0.85540%0.401SS*.  trans-76.1113.1175.7-178.20000108.8T66T66-V68 PolarHBondContact O-N 2.95Å
69V79.5Confident88.7Confident35 Ų3579.8 Ų79.821%0.21243%0.433CS..  trans-98.5114.7171.3-176.70000108P67 G71 F138 A140 L157 L159P67-V69 PolarHBondContact O-N 3.39Å; V69-G71 PolarHBondContact O-N 2.85Å; V69-G71 VanDerWaalsContact O-N 3.09Å; V69-F138 HydrophobicContact CG1-CD2 4.31Å; V69-F138 HydrophobicContact CG1-CE1 4.38Å; V69-F138 HydrophobicContact CG1-CE2 3.41Å; V69-F138 VanDerWaalsContact CG1-CE2 3.41Å; V69-F138 HydrophobicContact CG1-CZ 3.46Å; V69-F138 VanDerWaalsContact CG1-CZ 3.46Å; V69-A140 HydrophobicContact CG1-CB 4.29Å; V69-L157 HydrophobicContact CG2-CD2 3.77Å; V69-L159 HydrophobicContact CG2-CD2 4.05Å
70S74.4Confident88.6Confident87 Ų8782.7 Ų82.761%0.60845%0.451SS*.  trans-77.792.4178.456.50000110.3F138S70-F138 WeakPolarHBondContact O-CZ 3.41Å
71G69.8Low88.5Confident48 Ų4885.5 Ų85.550%0.49546%0.464SS..SBendtrans144.4161.6174.400000113.1V69V69-G71 PolarHBondContact O-N 2.85Å; V69-G71 VanDerWaalsContact O-N 3.09Å
72D81.3Confident88.5Confident154 Ų15486.9 Ų86.982%0.82447%0.472SS*.  trans-80.9121.9178.4-68.8-31.1000110.6S74D72-S74 PolarHBondContact O-N 2.81Å
73L87.5Confident88.5Confident53 Ų5386.7 Ų86.728%0.27747%0.472SS..  trans-73.6114.7170.4-63.2154.8000109K75 N131 A133 A140 A142L73-K75 PolarHBondContact O-N 3.06Å; L73-N131 HydrophobicContact CB-CB 3.8Å; L73-A133 HydrophobicContact CD2-CB 3.97Å; L73-A140 HydrophobicContact CD2-CB 3.61Å; L73-A142 HydrophobicContact CD1-CB 4.28Å
74S90.3Very high88.6Confident66 Ų6686.1 Ų86.146%0.46247%0.473SS..EExtended strand (participates in β ladder)trans-74.4124.8178.3-67.20000110.7D72 N131 T132D72-S74 PolarHBondContact O-N 2.81Å; S74-N131 WeakPolarHBondContact O-CA 3.49Å; S74-T132 PolarHBondContact N-O 2.97Å; S74-T132 PolarHBondContact O-N 3.43Å
75K92.9Very high88.7Confident136 Ų13683.9 Ų83.959%0.59146%0.464SS*.EExtended strand (participates in β ladder)trans-64.5134.3173.1-170.6173-176172.10111L73 N129L73-K75 PolarHBondContact O-N 3.06Å; K75-N129 HydrophobicContact CD-CB 4.47Å; K75-N129 VanDerWaalsContact CE-CB 3.41Å; K75-N129 VanDerWaalsContact CE-CG 3.41Å; K75-N129 WeakPolarHBondContact CE-ND2 3.27Å; K75-N129 HydrophobicContact CG-CB 4.23Å
76K91.5Very high89Confident59 Ų5983 Ų8326%0.25745%0.454SS..EExtended strand (participates in β ladder)trans-117.3130176.3-56.1-58.5174.8-173.40109.4N129 F130 T132K76-N129 VanDerWaalsContact O-CA 3.22Å; K76-N129 WeakPolarHBondContact O-CA 3.25Å; K76-N129 WeakPolarHBondContact O-CB 3.2Å; K76-N129 PolarHBondContact O-OD1 3.04Å; K76-F130 HydrophobicContact CB-CD2 4.48Å; K76-F130 HydrophobicContact CB-CE1 4.41Å; K76-F130 HydrophobicContact CB-CE2 4.2Å; K76-F130 HydrophobicContact CB-CZ 4.19Å; K76-F130 WeakPolarHBondContact CB-O 3.29Å; K76-F130 HydrophobicContact CG-CE2 4.33Å; K76-F130 PolarHBondContact N-O 3.48Å; K76-F130 PolarHBondContact O-N 3.22Å; K76-T132 WeakPolarHBondContact CE-OG1 3.42Å; K76-T132 HydrophobicContact CG-CG2 4.08Å
77Q86.4Confident89.5Confident167 Ų16780.6 Ų80.678%0.7844%0.437SS*.  trans-11271.3175.3-174.2171.218.800108.8N129Q77-N129 VanDerWaalsContact CA-OD1 3.24Å; Q77-N129 WeakPolarHBondContact CA-OD1 3.48Å; Q77-N129 WeakPolarHBondContact CB-OD1 3.46Å; Q77-N129 VanDerWaalsContact CG-OD1 3.23Å; Q77-N129 WeakPolarHBondContact CG-OD1 3.36Å
78S86.3Confident89.9Confident48 Ų4886 Ų8634%0.33646%0.459SS..SBendtrans-150.8153.3179.9-179.90000109.2V80 F130S78-V80 VanDerWaalsContact C-N 3.27Å; S78-V80 WeakPolarHBondContact CB-O 3.33Å; S78-V80 PolarHBondContact OG-N 3.36Å; S78-V80 PolarHBondContact OG-O 2.92Å; S78-F130 WeakPolarHBondContact O-CE1 3.25Å
79F92.1Very high90.8Very high155 Ų15579.7 Ų79.768%0.6842%0.42SS*.SBendtrans-65.7-33.6169.4-67.2-70.4000112.2L102 N103F79-L102 WeakPolarHBondContact O-CA 3.2Å; F79-N103 PolarHBondContact O-N 2.78Å
80V95.9Very high91.6Very high68 Ų6883.4 Ų83.441%0.41243%0.434SS..EExtended strand (participates in β ladder)trans-141137.3-178.461.70000111.1S78 I101 L102S78-V80 VanDerWaalsContact C-N 3.27Å; S78-V80 WeakPolarHBondContact CB-O 3.33Å; S78-V80 PolarHBondContact OG-N 3.36Å; S78-V80 PolarHBondContact OG-O 2.92Å; V80-I101 CarbonylContact C-O 3.51Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.29Å; V80-L102 HydrophobicContact CG2-CD1 4.36Å
81Q96.3Very high92.7Very high59 Ų5979.2 Ų79.228%0.27641%0.405SS..EExtended strand (participates in β ladder)trans-120.1120.7171.3177.962.860.100109.3V83 I101 F130Q81-V83 HydrophobicContact CG-CG2 3.95Å; Q81-I101 HydrophobicContact CB-CB 4.5Å; Q81-I101 PolarHBondContact N-O 3.19Å; Q81-I101 PolarHBondContact O-N 2.58Å; Q81-F130 HydrophobicContact CB-CE2 4.03Å; Q81-F130 HydrophobicContact CB-CZ 3.71Å
82K97.4Very high94Very high123 Ų12377 Ų7754%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-82133.6170.5-67.1-173.8165.1-134.60110.4E98 L99K82-E98 WeakPolarHBondContact CD-OE1 3.4Å; K82-E98 WeakPolarHBondContact CE-OE1 3.48Å; K82-E98 IonicContact NZ-OE1 3.64Å; K82-E98 PolarHBondContact NZ-OE1 2.74Å; K82-E98 IonicContact NZ-OE2 2.81Å; K82-L99 CarbonylContact C-O 3.58Å; K82-L99 WeakPolarHBondContact CA-O 3.5Å
83V97.2Very high94.6Very high12 Ų1270.2 Ų70.27%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-132.2119.9-179.8177.90000109.1Q81 P85 L99 I101 N134Q81-V83 HydrophobicContact CG-CG2 3.95Å; V83-P85 WeakPolarHBondContact O-CD 3.32Å; V83-L99 HydrophobicContact CB-CB 4.36Å; V83-L99 PolarHBondContact N-O 3.16Å; V83-L99 PolarHBondContact O-N 3.18Å; V83-I101 HydrophobicContact CB-CD1 4.33Å; V83-I101 HydrophobicContact CG2-CD1 3.57Å; V83-N134 HydrophobicContact CG1-CB 3.9Å
84T98.3Very high95Very high95 Ų9569.6 Ų69.658%0.58334%0.343SS*.  trans-88.4114.9164.9-53.50000108.1K86 N134T84-K86 PolarHBondContact O-N 2.82Å; T84-N134 PolarHBondContact O-ND2 3.08Å
85P98.1Very high95.3Very high18 Ų1871.7 Ų71.712%0.11734%0.344CS..  trans-55.7135.7178.3-27.437000112.4V83 F87 F89 V96 K97 L99 I139V83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-F87 WeakPolarHBondContact CB-O 3.5Å; P85-F87 PolarHBondContact O-N 3.22Å; P85-F89 HydrophobicContact CB-CD1 4.35Å; P85-F89 HydrophobicContact CB-CE1 4.02Å; P85-F89 HydrophobicContact CG-CD1 4.41Å; P85-F89 HydrophobicContact CG-CE1 3.66Å; P85-V96 HydrophobicContact CG-CG1 4.42Å; P85-K97 WeakPolarHBondContact CD-O 3.24Å; P85-L99 HydrophobicContact CG-CG 4.46Å; P85-I139 HydrophobicContact CB-CD1 3.79Å; P85-I139 HydrophobicContact CG-CD1 3.9Å
86K97.6Very high95.6Very high112 Ų11265.7 Ų65.749%0.48732%0.319SS..SBendtrans-72.2-10.7173.3-70.4-179.7-179.1161.70113.4T84 N134 E135T84-K86 PolarHBondContact O-N 2.82Å; K86-N134 VanDerWaalsContact CD-O 3.22Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 WeakPolarHBondContact CE-O 3.18Å; K86-N134 PolarHBondContact N-OD1 2.91Å; K86-N134 PolarHBondContact NZ-O 2.84Å; K86-E135 IonicContact NZ-OE2 2.82Å; K86-E135 PolarHBondContact NZ-OE2 3.29Å
87F98Very high95.9Very high25 Ų2568 Ų6811%0.1133%0.329CS..SBendtrans-128.3159.9178.352.7-97.1000111.1P85 F89 E135 N136 I139 I160 P162P85-F87 WeakPolarHBondContact CB-O 3.5Å; P85-F87 PolarHBondContact O-N 3.22Å; F87-F89 HydrophobicContact CD2-CB 4.22Å; F87-F89 AromaticContact CD2-CD1 3.91Å; F87-F89 HydrophobicContact CD2-CD1 3.91Å; F87-F89 HydrophobicContact CD2-CG 4.45Å; F87-F89 HydrophobicContact CE2-CB 4.2Å; F87-F89 AromaticContact CE2-CD1 3.57Å; F87-F89 HydrophobicContact CE2-CD1 3.57Å; F87-F89 HydrophobicContact CE2-CE1 4.21Å; F87-F89 HydrophobicContact CE2-CG 4.1Å; F87-E135 WeakPolarHBondContact CD1-O 3.16Å; F87-E135 WeakPolarHBondContact CE1-O 3.43Å; F87-N136 VanDerWaalsContact CD1-O 3.28Å; F87-N136 WeakPolarHBondContact CD1-O 3.39Å; F87-I139 HydrophobicContact CE1-CD1 4.28Å; F87-I139 HydrophobicContact CE1-CG1 3.9Å; F87-I139 HydrophobicContact CZ-CB 4.49Å; F87-I139 HydrophobicContact CZ-CD1 3.88Å; F87-I139 HydrophobicContact CZ-CG1 3.79Å; F87-I160 HydrophobicContact CE2-CG2 4.39Å; F87-I160 HydrophobicContact CZ-CG2 4.48Å; F87-P162 HydrophobicContact CB-CB 4.28Å; F87-P162 HydrophobicContact CB-CG 4.16Å; F87-P162 HydrophobicContact CD1-CG 4.04Å; F87-P162 HydrophobicContact CD2-CB 3.98Å; F87-P162 HydrophobicContact CD2-CG 3.95Å; F87-P162 HydrophobicContact CE1-CG 4.42Å; F87-P162 HydrophobicContact CE2-CG 4.32Å; F87-P162 HydrophobicContact CG-CB 4.13Å; F87-P162 HydrophobicContact CG-CG 3.78Å
88Q97.4Very high96.5Very high145 Ų14562.6 Ų62.668%0.67830%0.303SS*.  trans-90.1128.6174.5-60.4-172.625.200110
89F97.9Very high97.1Very high8 Ų860.3 Ų60.34%0.03529%0.287CS..  trans-14117217175.6-80000110.6P85 F87 V96 L99 I160P85-F89 HydrophobicContact CB-CD1 4.35Å; P85-F89 HydrophobicContact CB-CE1 4.02Å; P85-F89 HydrophobicContact CG-CD1 4.41Å; P85-F89 HydrophobicContact CG-CE1 3.66Å; F87-F89 HydrophobicContact CD2-CB 4.22Å; F87-F89 AromaticContact CD2-CD1 3.91Å; F87-F89 HydrophobicContact CD2-CD1 3.91Å; F87-F89 HydrophobicContact CD2-CG 4.45Å; F87-F89 HydrophobicContact CE2-CB 4.2Å; F87-F89 AromaticContact CE2-CD1 3.57Å; F87-F89 HydrophobicContact CE2-CD1 3.57Å; F87-F89 HydrophobicContact CE2-CE1 4.21Å; F87-F89 HydrophobicContact CE2-CG 4.1Å; F89-V96 HydrophobicContact CD1-CB 4.32Å; F89-V96 HydrophobicContact CD2-CG2 4.07Å; F89-V96 HydrophobicContact CE1-CB 3.83Å; F89-V96 HydrophobicContact CE1-CG1 3.87Å; F89-V96 HydrophobicContact CE1-CG2 4.21Å; F89-V96 HydrophobicContact CE2-CB 4.11Å; F89-V96 HydrophobicContact CE2-CG1 4.46Å; F89-V96 HydrophobicContact CE2-CG2 3.54Å; F89-V96 HydrophobicContact CZ-CB 3.71Å; F89-V96 HydrophobicContact CZ-CG1 3.68Å; F89-V96 HydrophobicContact CZ-CG2 3.63Å; F89-V96 PolarHBondContact O-N 3.47Å; F89-L99 HydrophobicContact CZ-CD2 4.35Å; F89-I160 HydrophobicContact CD1-CG2 4.42Å; F89-I160 HydrophobicContact CD2-CG2 3.97Å; F89-I160 HydrophobicContact CE1-CG2 4.16Å; F89-I160 HydrophobicContact CE2-CG2 3.7Å; F89-I160 HydrophobicContact CG-CG2 4.32Å; F89-I160 HydrophobicContact CZ-CD1 4.43Å; F89-I160 HydrophobicContact CZ-CG2 3.8Å
90K97Very high97.3Very high113 Ų11353.2 Ų53.249%0.49126%0.257SS..EExtended strand (participates in β ladder)trans-119.2142.8178.3-67.2175.7178.3176.90110.9Q94K90-Q94 CarbonylContact C-O 3.6Å; K90-Q94 WeakPolarHBondContact CA-O 3.45Å
91Y97.8Very high97.4Very high0 Ų050 Ų500%024%0.238CC..EExtended strand (participates in β ladder)trans-119122.7171.6-179.5-96.8000109.1Y56 G93 Q94 I109 G116 Q117 I118 M166 D187Y56-Y91 WeakPolarHBondContact OH-CA 3.47Å; Y91-G93 PolarHBondContact O-N 3.46Å; Y91-G93 VanDerWaalsContact O-N 3.11Å; Y91-Q94 PolarHBondContact N-O 2.9Å; Y91-Q94 WeakPolarHBondContact O-CB 3.45Å; Y91-Q94 PolarHBondContact O-N 3.31Å; Y91-I109 HydrophobicContact CD1-CD1 3.74Å; Y91-I109 HydrophobicContact CD1-CG2 4.39Å; Y91-I109 HydrophobicContact CD2-CD1 3.3Å; Y91-I109 HydrophobicContact CE1-CD1 3.77Å; Y91-I109 HydrophobicContact CE2-CD1 3.31Å; Y91-I109 HydrophobicContact CG-CD1 3.49Å; Y91-I109 VanDerWaalsContact CG-CD1 3.49Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; Y91-G116 VanDerWaalsContact CE1-CA 3.46Å; Y91-Q117 PolarHBondContact OH-O 2.98Å; Y91-I118 HydrophobicContact CE2-CG1 4.37Å; Y91-M166 HydrophobicContact CD2-CE 3.94Å; Y91-M166 HydrophobicContact CD2-SD 3.8Å; Y91-M166 HydrophobicContact CE2-CE 3.81Å; Y91-M166 HydrophobicContact CE2-SD 3.93Å; Y91-D187 VanDerWaalsContact CE1-O 3.25Å; Y91-D187 WeakPolarHBondContact CE1-O 3.14Å; Y91-D187 PolarHBondContact OH-N 2.81Å; Y91-D187 PolarHBondContact OH-O 3Å
92Y96.8Very high97.5Very high1 Ų149.1 Ų49.10%0.00424%0.235CC..THydrogen-bonded Turntrans49.535.6-170.7-80-107.8000112.8E55 Y56 Q94 I186 Y188 Y204 N205 T263E55-Y92 HydrophobicContact CB-CD1 3.68Å; E55-Y92 HydrophobicContact CB-CE1 4.03Å; E55-Y92 HydrophobicContact CB-CG 4.25Å; E55-Y92 HydrophobicContact CG-CD1 3.51Å; E55-Y92 HydrophobicContact CG-CE1 4.15Å; E55-Y92 HydrophobicContact CG-CG 4.24Å; Y56-Y92 HydrophobicContact CD2-CD2 4.29Å; Y56-Y92 HydrophobicContact CD2-CE2 4.12Å; Y56-Y92 AromaticContact CE2-CD2 3.5Å; Y56-Y92 HydrophobicContact CE2-CD2 3.5Å; Y56-Y92 VanDerWaalsContact CE2-CD2 3.5Å; Y56-Y92 AromaticContact CE2-CE2 3.69Å; Y56-Y92 HydrophobicContact CE2-CE2 3.69Å; Y56-Y92 AromaticContact CE2-CG 3.97Å; Y56-Y92 HydrophobicContact CE2-CG 3.97Å; Y56-Y92 PolarHBondContact OH-N 3.04Å; Y92-Q94 VanDerWaalsContact C-N 3.25Å; Y92-Q94 PolarHBondContact O-N 3.23Å; Y92-I186 HydrophobicContact CE2-CD1 4.19Å; Y92-I186 HydrophobicContact CE2-CG1 4.34Å; Y92-I186 PolarHBondContact OH-O 3.18Å; Y92-Y188 HydrophobicContact CD1-CG 4.45Å; Y92-Y188 HydrophobicContact CG-CD2 4.22Å; Y92-Y188 HydrophobicContact CG-CG 4.4Å; Y92-Y204 HydrophobicContact CD1-CD1 4.45Å; Y92-Y204 HydrophobicContact CD1-CE1 4.33Å; Y92-Y204 HydrophobicContact CE1-CD1 4.45Å; Y92-Y204 HydrophobicContact CE1-CE1 4.43Å; Y92-N205 HydrophobicContact CE1-CB 4.43Å; Y92-N205 PolarHBondContact OH-O 2.97Å; Y92-T263 HydrophobicContact CD1-CG2 4.19Å; Y92-T263 PolarHBondContact O-OG1 3.41Å
93G94.6Very high97.4Very high11 Ų1144.5 Ų44.511%0.11322%0.216CC..THydrogen-bonded Turntrans77.7-6-176.500000116.2Y91Y91-G93 PolarHBondContact O-N 3.46Å; Y91-G93 VanDerWaalsContact O-N 3.11Å
94Q95.2Very high97.2Very high41 Ų4146.5 Ų46.519%0.19223%0.23CC..EExtended strand (participates in β ladder)trans-91.6141.5178.4-55.9-51.8-45.800111.6K90 Y91 Y92 V96 I115 Y188K90-Q94 CarbonylContact C-O 3.6Å; K90-Q94 WeakPolarHBondContact CA-O 3.45Å; Y91-Q94 PolarHBondContact N-O 2.9Å; Y91-Q94 WeakPolarHBondContact O-CB 3.45Å; Y91-Q94 PolarHBondContact O-N 3.31Å; Y92-Q94 VanDerWaalsContact C-N 3.25Å; Y92-Q94 PolarHBondContact O-N 3.23Å; Q94-V96 PolarHBondContact O-N 3.15Å; Q94-I115 HydrophobicContact CB-CD1 3.88Å; Q94-Y188 HydrophobicContact CB-CE2 4.46Å; Q94-Y188 HydrophobicContact CG-CE2 3.57Å
95K96.8Very high97.1Very high110 Ų11042 Ų4248%0.47820%0.203SC..EExtended strand (participates in β ladder)trans-69.2128.8178.6-177.3172.3179.1166.20110.3
96V98.5Very high97Very high9 Ų941.8 Ų41.86%0.05520%0.201CC..PPolyproline II helixtrans-87.5140.2175.5-177.30000110.3P85 F89 Q94 L99 I109 I115P85-V96 HydrophobicContact CG-CG1 4.42Å; F89-V96 HydrophobicContact CD1-CB 4.32Å; F89-V96 HydrophobicContact CD2-CG2 4.07Å; F89-V96 HydrophobicContact CE1-CB 3.83Å; F89-V96 HydrophobicContact CE1-CG1 3.87Å; F89-V96 HydrophobicContact CE1-CG2 4.21Å; F89-V96 HydrophobicContact CE2-CB 4.11Å; F89-V96 HydrophobicContact CE2-CG1 4.46Å; F89-V96 HydrophobicContact CE2-CG2 3.54Å; F89-V96 HydrophobicContact CZ-CB 3.71Å; F89-V96 HydrophobicContact CZ-CG1 3.68Å; F89-V96 HydrophobicContact CZ-CG2 3.63Å; F89-V96 PolarHBondContact O-N 3.47Å; Q94-V96 PolarHBondContact O-N 3.15Å; V96-L99 HydrophobicContact CG1-CD2 3.87Å; V96-L99 HydrophobicContact CG1-CG 4.5Å; V96-I109 HydrophobicContact CB-CG2 4.32Å; V96-I109 HydrophobicContact CG1-CG2 3.78Å; V96-I109 HydrophobicContact CG2-CG2 3.62Å; V96-I115 HydrophobicContact CG2-CD1 4.21Å
97K98.4Very high97Very high109 Ų10936.5 Ų36.547%0.47418%0.178SC..  trans-116.7-41.1175.7-66.1-170.6-179.8-179.90112.8P85 Y110 D112P85-K97 WeakPolarHBondContact CD-O 3.24Å; K97-Y110 PolarHBondContact N-O 3.09Å; K97-D112 WeakPolarHBondContact CE-OD1 3.05Å; K97-D112 IonicContact NZ-OD1 3.98Å; K97-D112 PolarHBondContact NZ-OD1 2.98Å
98E98.6Very high97.1Very high52 Ų5237.6 Ų37.624%0.24318%0.184CC..EExtended strand (participates in β ladder)trans-143.6147.1-177.6178.5172.5104.700109.7K82 Y110K82-E98 WeakPolarHBondContact CD-OE1 3.4Å; K82-E98 WeakPolarHBondContact CE-OE1 3.48Å; K82-E98 IonicContact NZ-OE1 3.64Å; K82-E98 PolarHBondContact NZ-OE1 2.74Å; K82-E98 IonicContact NZ-OE2 2.81Å; E98-Y110 PolarHBondContact N-O 3.23Å; E98-Y110 PolarHBondContact O-N 3.45Å
99L98.5Very high97.1Very high0 Ų030.7 Ų30.70%015%0.152CC..EExtended strand (participates in β ladder)trans-113136.9166.8-56.4177.1000108.5K82 V83 P85 F89 V96 I107 E108 I109 I139 I160K82-L99 CarbonylContact C-O 3.58Å; K82-L99 WeakPolarHBondContact CA-O 3.5Å; V83-L99 HydrophobicContact CB-CB 4.36Å; V83-L99 PolarHBondContact N-O 3.16Å; V83-L99 PolarHBondContact O-N 3.18Å; P85-L99 HydrophobicContact CG-CG 4.46Å; F89-L99 HydrophobicContact CZ-CD2 4.35Å; V96-L99 HydrophobicContact CG1-CD2 3.87Å; V96-L99 HydrophobicContact CG1-CG 4.5Å; L99-I107 HydrophobicContact CB-CG2 4.18Å; L99-I107 HydrophobicContact CD2-CG2 4.19Å; L99-E108 WeakPolarHBondContact CA-O 3.33Å; L99-I109 HydrophobicContact CD2-CB 4.24Å; L99-I109 HydrophobicContact CD2-CG1 3.94Å; L99-I109 HydrophobicContact CD2-CG2 3.97Å; L99-I139 HydrophobicContact CD1-CD1 3.86Å; L99-I139 HydrophobicContact CD1-CG2 4.43Å; L99-I160 HydrophobicContact CD1-CD1 3.79Å
100S98.2Very high97.2Very high7 Ų733.4 Ų33.45%0.04916%0.162CC..EExtended strand (participates in β ladder)trans-108.8111.4163.8-67.50000108.4L102 I107 E108S100-L102 WeakPolarHBondContact O-CD1 3.33Å; S100-I107 WeakPolarHBondContact O-CA 3.48Å; S100-E108 PolarHBondContact N-O 3.39Å; S100-E108 PolarHBondContact O-N 2.92Å
101I97.9Very high97.2Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-97.5119.2-177.7-57.6165.2000108V80 Q81 V83 I107 F130 T132 V141 W143V80-I101 CarbonylContact C-O 3.51Å; V80-I101 VanDerWaalsContact CA-O 3.3Å; V80-I101 WeakPolarHBondContact CA-O 3.29Å; Q81-I101 HydrophobicContact CB-CB 4.5Å; Q81-I101 PolarHBondContact N-O 3.19Å; Q81-I101 PolarHBondContact O-N 2.58Å; V83-I101 HydrophobicContact CB-CD1 4.33Å; V83-I101 HydrophobicContact CG2-CD1 3.57Å; I101-I107 HydrophobicContact CG1-CG2 4.35Å; I101-F130 HydrophobicContact CB-CE2 4.04Å; I101-F130 HydrophobicContact CB-CZ 4.38Å; I101-F130 HydrophobicContact CG2-CD2 3.92Å; I101-F130 HydrophobicContact CG2-CE2 3.38Å; I101-F130 HydrophobicContact CG2-CZ 3.97Å; I101-T132 HydrophobicContact CD1-CG2 4.09Å; I101-V141 HydrophobicContact CD1-CG2 3.63Å; I101-V141 HydrophobicContact CG1-CG2 4.26Å; I101-V141 HydrophobicContact CG2-CG1 3.6Å; I101-V141 HydrophobicContact CG2-CG2 4.26Å; I101-W143 HydrophobicContact CG2-CH2 4.47Å; I101-W143 HydrophobicContact CG2-CZ2 3.73Å
102L97.1Very high97Very high40 Ų4035.2 Ų35.221%0.20918%0.18CC..EExtended strand (participates in β ladder)trans-99.8145-179.6-70.172.7000110.2F79 V80 S100 S104 G105 V106 E108 W143F79-L102 WeakPolarHBondContact O-CA 3.2Å; V80-L102 HydrophobicContact CG2-CD1 4.36Å; S100-L102 WeakPolarHBondContact O-CD1 3.33Å; L102-S104 WeakPolarHBondContact CB-OG 3.25Å; L102-S104 PolarHBondContact O-N 3.04Å; L102-S104 VanDerWaalsContact O-N 3.16Å; L102-G105 PolarHBondContact O-N 2.67Å; L102-V106 HydrophobicContact CB-CB 4.29Å; L102-V106 PolarHBondContact N-O 2.86Å; L102-E108 HydrophobicContact CD1-CG 4.23Å; L102-W143 PolarHBondContact O-NE1 3.38Å
103N95.1Very high97Very high26 Ų2638.3 Ų38.314%0.13920%0.197CC..THydrogen-bonded Turntrans-63.5-18.2174.467.8-7000113.2F79 G105 F126 E128 F130F79-N103 PolarHBondContact O-N 2.78Å; N103-G105 PolarHBondContact O-N 2.83Å; N103-G105 VanDerWaalsContact O-N 3.15Å; N103-F126 WeakPolarHBondContact O-CB 3.05Å; N103-E128 WeakPolarHBondContact CB-O 3.42Å; N103-E128 PolarHBondContact ND2-O 3.34Å; N103-E128 VanDerWaalsContact ND2-O 3.16Å; N103-F130 HydrophobicContact CB-CD1 3.55Å; N103-F130 HydrophobicContact CB-CE1 3.77Å
104S93.9Very high97.1Very high54 Ų5439 Ų3938%0.37820%0.198SC..THydrogen-bonded Turntrans-72.77.2175.759.20000115.1L102 F126L102-S104 WeakPolarHBondContact CB-OG 3.25Å; L102-S104 PolarHBondContact O-N 3.04Å; L102-S104 VanDerWaalsContact O-N 3.16Å; S104-F126 VanDerWaalsContact C-CD2 3.47Å; S104-F126 WeakPolarHBondContact O-CD2 3.39Å
105G94.9Very high97.2Very high1 Ų137.7 Ų37.71%0.0119%0.192CC..THydrogen-bonded Turntrans74.934.9-177.200000112.7L102 N103 I120L102-G105 PolarHBondContact O-N 2.67Å; N103-G105 PolarHBondContact O-N 2.83Å; N103-G105 VanDerWaalsContact O-N 3.15Å; G105-I120 WeakPolarHBondContact O-CB 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.39Å; G105-I120 PolarHBondContact O-N 2.84Å
106V96.9Very high97.3Very high14 Ų1432.5 Ų32.59%0.08517%0.169CC..EExtended strand (participates in β ladder)trans-123.6136.4177.2179.60000109.3L102 E108 Q117 I118L102-V106 HydrophobicContact CB-CB 4.29Å; L102-V106 PolarHBondContact N-O 2.86Å; V106-E108 HydrophobicContact CG1-CG 4.41Å; V106-Q117 HydrophobicContact CG1-CG 3.78Å; V106-I118 VanDerWaalsContact CA-O 3.32Å; V106-I118 WeakPolarHBondContact CA-O 3.21Å
107I98.2Very high97.2Very high1 Ų133.5 Ų33.51%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-116.2121166.6-49177.9000108.1L99 S100 I101 I109 Q117 I118 V141 W143 Y158L99-I107 HydrophobicContact CB-CG2 4.18Å; L99-I107 HydrophobicContact CD2-CG2 4.19Å; S100-I107 WeakPolarHBondContact O-CA 3.48Å; I101-I107 HydrophobicContact CG1-CG2 4.35Å; I107-I109 HydrophobicContact CG2-CG1 4.42Å; I107-Q117 WeakPolarHBondContact O-CA 3.21Å; I107-I118 HydrophobicContact CB-CB 4.13Å; I107-I118 HydrophobicContact CB-CD1 4.14Å; I107-I118 HydrophobicContact CD1-CD1 4.15Å; I107-I118 PolarHBondContact N-O 2.77Å; I107-I118 PolarHBondContact O-N 3.25Å; I107-V141 HydrophobicContact CD1-CG2 4.37Å; I107-W143 HydrophobicContact CD1-CH2 3.92Å; I107-W143 HydrophobicContact CG1-CH2 3.78Å; I107-W143 HydrophobicContact CG1-CZ2 4.18Å; I107-Y158 HydrophobicContact CD1-CD1 3.93Å; I107-Y158 HydrophobicContact CD1-CE1 4.32Å; I107-Y158 HydrophobicContact CD1-CG 4.23Å
108E98.5Very high97.2Very high47 Ų4728.3 Ų28.322%0.2215%0.151CC..EExtended strand (participates in β ladder)trans-93.1134.4168.2-62.4-178.5157.700109.7L99 S100 L102 V106 Y110 L114 Q117L99-E108 WeakPolarHBondContact CA-O 3.33Å; S100-E108 PolarHBondContact N-O 3.39Å; S100-E108 PolarHBondContact O-N 2.92Å; L102-E108 HydrophobicContact CD1-CG 4.23Å; V106-E108 HydrophobicContact CG1-CG 4.41Å; E108-Y110 HydrophobicContact CB-CD2 4.32Å; E108-Y110 HydrophobicContact CB-CE2 3.5Å; E108-Y110 VanDerWaalsContact CB-CE2 3.5Å; E108-Y110 PolarHBondContact OE2-OH 3.44Å; E108-L114 HydrophobicContact CB-CD1 4.05Å; E108-Q117 HydrophobicContact CG-CG 4.49Å
109I98.7Very high97.1Very high1 Ų127 Ų271%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-113.9124.9-173.2-51.6177.8000108.5Y91 V96 L99 I107 I115 G116 I118Y91-I109 HydrophobicContact CD1-CD1 3.74Å; Y91-I109 HydrophobicContact CD1-CG2 4.39Å; Y91-I109 HydrophobicContact CD2-CD1 3.3Å; Y91-I109 HydrophobicContact CE1-CD1 3.77Å; Y91-I109 HydrophobicContact CE2-CD1 3.31Å; Y91-I109 HydrophobicContact CG-CD1 3.49Å; Y91-I109 VanDerWaalsContact CG-CD1 3.49Å; Y91-I109 HydrophobicContact CG-CG2 4.27Å; V96-I109 HydrophobicContact CB-CG2 4.32Å; V96-I109 HydrophobicContact CG1-CG2 3.78Å; V96-I109 HydrophobicContact CG2-CG2 3.62Å; L99-I109 HydrophobicContact CD2-CB 4.24Å; L99-I109 HydrophobicContact CD2-CG1 3.94Å; L99-I109 HydrophobicContact CD2-CG2 3.97Å; I107-I109 HydrophobicContact CG2-CG1 4.42Å; I109-I115 HydrophobicContact CB-CG1 4.23Å; I109-I115 HydrophobicContact CG2-CD1 3.91Å; I109-I115 HydrophobicContact CG2-CG1 3.83Å; I109-I115 WeakPolarHBondContact O-CG1 3.32Å; I109-I115 PolarHBondContact O-N 3.22Å; I109-G116 PolarHBondContact N-O 3.17Å; I109-G116 PolarHBondContact O-N 3.17Å; I109-I118 HydrophobicContact CD1-CD1 3.73Å; I109-I118 HydrophobicContact CD1-CG1 4.1Å; I109-I118 HydrophobicContact CG1-CD1 4.41Å
110Y98.7Very high96.9Very high65 Ų6527 Ų2726%0.25515%0.145SC..EExtended strand (participates in β ladder)trans-116.3130.3-175.6-67.4-91.1000111.5K97 E98 E108 D113 L114K97-Y110 PolarHBondContact N-O 3.09Å; E98-Y110 PolarHBondContact N-O 3.23Å; E98-Y110 PolarHBondContact O-N 3.45Å; E108-Y110 HydrophobicContact CB-CD2 4.32Å; E108-Y110 HydrophobicContact CB-CE2 3.5Å; E108-Y110 VanDerWaalsContact CB-CE2 3.5Å; E108-Y110 PolarHBondContact OE2-OH 3.44Å; Y110-D113 WeakPolarHBondContact CA-O 3.47Å; Y110-L114 HydrophobicContact CD1-CB 4.21Å; Y110-L114 HydrophobicContact CD1-CD1 4.48Å; Y110-L114 HydrophobicContact CE1-CB 3.88Å; Y110-L114 HydrophobicContact CE1-CD1 4.02Å; Y110-L114 HydrophobicContact CE2-CD1 4.28Å
111G97.2Very high96.4Very high13 Ų1326.9 Ų26.913%0.13414%0.143CC..SBendtrans-96.7-119.3160.600000108.6D113G111-D113 PolarHBondContact N-O 2.98Å
112D94.9Very high95.8Very high137 Ų13731.7 Ų31.773%0.73317%0.166SC*.SBendtrans-74.4-31.4164.9-67.6-41.8000112.5K97K97-D112 WeakPolarHBondContact CE-OD1 3.05Å; K97-D112 IonicContact NZ-OD1 3.98Å; K97-D112 PolarHBondContact NZ-OD1 2.98Å
113D95.6Very high95.2Very high66 Ų6634.4 Ų34.435%0.35318%0.176SC..SBendtrans-126.4-179.7173.2-72.1-67.2000108.4Y110 G111 I115 K191 F201Y110-D113 WeakPolarHBondContact CA-O 3.47Å; G111-D113 PolarHBondContact N-O 2.98Å; D113-I115 PolarHBondContact O-N 3.34Å; D113-K191 HydrophobicContact CB-CD 4.44Å; D113-K191 IonicContact OD1-NZ 2.75Å; D113-K191 PolarHBondContact OD1-NZ 2.85Å; D113-K191 VanDerWaalsContact OD2-CD 3.3Å; D113-K191 WeakPolarHBondContact OD2-CD 3.43Å; D113-K191 IonicContact OD2-NZ 3.67Å; D113-K191 PolarHBondContact OD2-NZ 2.99Å; D113-F201 HydrophobicContact CB-CE1 3.87Å; D113-F201 HydrophobicContact CB-CZ 3.98Å
114L97.8Very high94.7Very high27 Ų2733.7 Ų33.714%0.14117%0.172CC..EExtended strand (participates in β ladder)trans-58.3124.6165.317969.7000109.3E108 Y110 R189 F201E108-L114 HydrophobicContact CB-CD1 4.05Å; Y110-L114 HydrophobicContact CD1-CB 4.21Å; Y110-L114 HydrophobicContact CD1-CD1 4.48Å; Y110-L114 HydrophobicContact CE1-CB 3.88Å; Y110-L114 HydrophobicContact CE1-CD1 4.02Å; Y110-L114 HydrophobicContact CE2-CD1 4.28Å; L114-R189 HydrophobicContact CD2-CB 4.1Å; L114-R189 HydrophobicContact CD2-CG 4.03Å; L114-R189 HydrophobicContact CG-CB 4Å; L114-R189 HydrophobicContact CG-CG 4.12Å; L114-F201 HydrophobicContact CB-CD1 3.99Å; L114-F201 HydrophobicContact CB-CE1 3.91Å; L114-F201 HydrophobicContact CB-CG 4.41Å; L114-F201 HydrophobicContact CB-CZ 4.27Å; L114-F201 HydrophobicContact CD2-CB 4.18Å; L114-F201 HydrophobicContact CD2-CD1 4.41Å; L114-F201 HydrophobicContact CD2-CG 4.17Å; L114-F201 HydrophobicContact CG-CD1 4.5Å; L114-F201 WeakPolarHBondContact O-CD1 3.31Å; L114-F201 VanDerWaalsContact O-CE1 3.26Å; L114-F201 WeakPolarHBondContact O-CE1 3.29Å
115I97.3Very high94.5Very high13 Ų1333 Ų337%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-117.8-16.7179.859.5168.3000113.1Q94 V96 I109 D113 Y188 R189Q94-I115 HydrophobicContact CB-CD1 3.88Å; V96-I115 HydrophobicContact CG2-CD1 4.21Å; I109-I115 HydrophobicContact CB-CG1 4.23Å; I109-I115 HydrophobicContact CG2-CD1 3.91Å; I109-I115 HydrophobicContact CG2-CG1 3.83Å; I109-I115 WeakPolarHBondContact O-CG1 3.32Å; I109-I115 PolarHBondContact O-N 3.22Å; D113-I115 PolarHBondContact O-N 3.34Å; I115-Y188 HydrophobicContact CB-CE2 3.89Å; I115-Y188 HydrophobicContact CG2-CE2 4.44Å; I115-Y188 WeakPolarHBondContact O-CA 3.4Å; I115-Y188 WeakPolarHBondContact O-CD2 3.01Å; I115-Y188 WeakPolarHBondContact O-CE2 3.43Å; I115-R189 PolarHBondContact O-N 2.88Å
116G98Very high94.4Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-165159-173.100000113.9Y91 I109 D187Y91-G116 VanDerWaalsContact CE1-CA 3.46Å; I109-G116 PolarHBondContact N-O 3.17Å; I109-G116 PolarHBondContact O-N 3.17Å; G116-D187 VanDerWaalsContact CA-O 3.32Å; G116-D187 WeakPolarHBondContact CA-O 3.44Å
117Q97.7Very high94.3Very high30 Ų3035.7 Ų35.714%0.1418%0.177CC..EExtended strand (participates in β ladder)trans-140.2136.6172.8-15617141.200110.7Y91 V106 I107 E108 H119 I186 D187 R189Y91-Q117 PolarHBondContact OH-O 2.98Å; V106-Q117 HydrophobicContact CG1-CG 3.78Å; I107-Q117 WeakPolarHBondContact O-CA 3.21Å; E108-Q117 HydrophobicContact CG-CG 4.49Å; Q117-H119 WeakPolarHBondContact CG-NE2 3.5Å; Q117-H119 PolarHBondContact OE1-NE2 2.98Å; Q117-I186 WeakPolarHBondContact O-CA 3.44Å; Q117-D187 PolarHBondContact N-O 3.42Å; Q117-D187 VanDerWaalsContact N-O 3.07Å; Q117-D187 PolarHBondContact O-N 3.29Å; Q117-R189 HydrophobicContact CB-CG 4.34Å
118I97.7Very high94Very high0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-111.5126.2171.1-62.8156.9000106.7Y91 V106 I107 I109 I120 Y158 M166 I186Y91-I118 HydrophobicContact CE2-CG1 4.37Å; V106-I118 VanDerWaalsContact CA-O 3.32Å; V106-I118 WeakPolarHBondContact CA-O 3.21Å; I107-I118 HydrophobicContact CB-CB 4.13Å; I107-I118 HydrophobicContact CB-CD1 4.14Å; I107-I118 HydrophobicContact CD1-CD1 4.15Å; I107-I118 PolarHBondContact N-O 2.77Å; I107-I118 PolarHBondContact O-N 3.25Å; I109-I118 HydrophobicContact CD1-CD1 3.73Å; I109-I118 HydrophobicContact CD1-CG1 4.1Å; I109-I118 HydrophobicContact CG1-CD1 4.41Å; I118-I120 HydrophobicContact CG2-CD1 3.87Å; I118-Y158 HydrophobicContact CD1-CE1 3.77Å; I118-Y158 HydrophobicContact CD1-CE2 4.34Å; I118-Y158 VanDerWaalsContact CD1-OH 3.23Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.28Å; I118-Y158 HydrophobicContact CG2-CD2 4.14Å; I118-Y158 HydrophobicContact CG2-CE2 3.5Å; I118-M166 HydrophobicContact CD1-SD 4.32Å; I118-I186 HydrophobicContact CB-CG2 4.28Å; I118-I186 HydrophobicContact CG1-CB 4.41Å; I118-I186 HydrophobicContact CG1-CG2 3.8Å; I118-I186 HydrophobicContact CG2-CG2 4.09Å
119H96.3Very high93.8Very high25 Ų2541.2 Ų41.212%0.11620%0.203CC..EExtended strand (participates in β ladder)trans-115116.5172.9-76.9-101.1000109.1Q117 S184 W185Q117-H119 WeakPolarHBondContact CG-NE2 3.5Å; Q117-H119 PolarHBondContact OE1-NE2 2.98Å; H119-S184 WeakPolarHBondContact O-CA 3.23Å; H119-S184 PolarHBondContact O-OG 3.28Å; H119-W185 HydrophobicContact CB-CD2 3.84Å; H119-W185 HydrophobicContact CB-CE3 4.16Å; H119-W185 HydrophobicContact CB-CG 4.39Å; H119-W185 HydrophobicContact CB-CH2 4.04Å; H119-W185 HydrophobicContact CB-CZ2 3.72Å; H119-W185 HydrophobicContact CB-CZ3 4.25Å; H119-W185 AromaticContact CD2-CE2 3.44Å; H119-W185 VanDerWaalsContact CD2-CE2 3.44Å; H119-W185 AromaticContact CD2-CZ2 3.45Å; H119-W185 VanDerWaalsContact CD2-CZ2 3.45Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.39Å; H119-W185 AromaticContact CD2-NE1 3.27Å; H119-W185 PolarHBondContact CD2-NE1 3.22Å; H119-W185 VanDerWaalsContact CD2-NE1 3.27Å; H119-W185 AromaticContact CE1-CZ2 3.92Å; H119-W185 AromaticContact CG-CE2 3.53Å; H119-W185 AromaticContact CG-CH2 3.93Å; H119-W185 AromaticContact CG-CZ2 3.33Å; H119-W185 AromaticContact CG-NE1 3.81Å; H119-W185 PolarHBondContact N-O 3.28Å; H119-W185 AromaticContact ND1-CZ2 3.66Å; H119-W185 AromaticContact NE2-CZ2 3.78Å; H119-W185 PolarHBondContact O-N 3.27Å
120I93.8Very high93.7Very high0 Ų041.1 Ų41.10%020%0.203CC..SBendtrans-74.1-62.6179.8-54.1-58.8000109.9G105 I118 F126 W143 V156 Y158 S184G105-I120 WeakPolarHBondContact O-CB 3.29Å; G105-I120 WeakPolarHBondContact O-CG1 3.39Å; G105-I120 PolarHBondContact O-N 2.84Å; I118-I120 HydrophobicContact CG2-CD1 3.87Å; I120-F126 HydrophobicContact CB-CZ 4.35Å; I120-F126 HydrophobicContact CG2-CZ 4.24Å; I120-W143 HydrophobicContact CD1-CH2 4.45Å; I120-W143 HydrophobicContact CD1-CZ3 4.12Å; I120-W143 HydrophobicContact CG1-CE3 4.24Å; I120-W143 HydrophobicContact CG1-CH2 4.04Å; I120-W143 HydrophobicContact CG1-CZ3 3.79Å; I120-V156 HydrophobicContact CG2-CB 4.14Å; I120-V156 HydrophobicContact CG2-CG1 3.64Å; I120-V156 HydrophobicContact CG2-CG2 3.58Å; I120-Y158 HydrophobicContact CD1-CD2 3.43Å; I120-Y158 VanDerWaalsContact CD1-CD2 3.43Å; I120-Y158 HydrophobicContact CD1-CE2 4.04Å; I120-Y158 HydrophobicContact CD1-CG 4.29Å; I120-S184 VanDerWaalsContact O-CA 3.3Å; I120-S184 WeakPolarHBondContact O-CA 3.39Å; I120-S184 WeakPolarHBondContact O-CB 3.42Å; I120-S184 PolarHBondContact O-OG 3.29Å
121F89Confident93.5Very high5 Ų539.8 Ų39.82%0.02220%0.2CC..  trans-142.7106176-60.4-49.8000110.7K123 I124 F126 V156 I170 I173 Q183 I214F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 3.49Å; F121-I124 HydrophobicContact CB-CB 3.74Å; F121-I124 HydrophobicContact CB-CD1 3.49Å; F121-I124 VanDerWaalsContact CB-CD1 3.49Å; F121-I124 HydrophobicContact CB-CG1 3.66Å; F121-I124 HydrophobicContact CD1-CD1 4.17Å; F121-I124 HydrophobicContact CD2-CD1 3.42Å; F121-I124 VanDerWaalsContact CD2-CD1 3.42Å; F121-I124 HydrophobicContact CD2-CG1 4.42Å; F121-I124 HydrophobicContact CE2-CD1 4.2Å; F121-I124 HydrophobicContact CG-CD1 3.43Å; F121-I124 VanDerWaalsContact CG-CD1 3.43Å; F121-I124 HydrophobicContact CG-CG1 4.19Å; F121-I124 PolarHBondContact O-N 2.88Å; F121-F126 HydrophobicContact CB-CE2 4.31Å; F121-F126 HydrophobicContact CB-CZ 4.1Å; F121-F126 HydrophobicContact CD2-CE1 4.19Å; F121-F126 AromaticContact CD2-CZ 3.63Å; F121-F126 HydrophobicContact CD2-CZ 3.63Å; F121-F126 HydrophobicContact CG-CZ 4.31Å; F121-V156 HydrophobicContact CE2-CB 4.14Å; F121-V156 HydrophobicContact CE2-CG1 4.26Å; F121-V156 HydrophobicContact CE2-CG2 4.36Å; F121-I170 HydrophobicContact CE1-CD1 4.21Å; F121-I170 HydrophobicContact CZ-CD1 3.96Å; F121-I170 HydrophobicContact CZ-CG1 4.05Å; F121-I170 HydrophobicContact CZ-CG2 4.15Å; F121-I173 HydrophobicContact CD1-CD1 4.33Å; F121-I173 HydrophobicContact CD2-CD1 4.4Å; F121-I173 HydrophobicContact CE1-CD1 3.85Å; F121-I173 HydrophobicContact CE2-CD1 3.91Å; F121-I173 HydrophobicContact CZ-CD1 3.63Å; F121-Q183 WeakPolarHBondContact CA-O 3.5Å; F121-I214 HydrophobicContact CD1-CG2 4.46Å; F121-I214 HydrophobicContact CE1-CG2 3.66Å; F121-I214 HydrophobicContact CZ-CG2 4.33Å
122Q85.5Confident93.4Very high101 Ų10139.8 Ų39.847%0.47220%0.197SC..THydrogen-bonded Turntrans-60.2-38.4-173.1-173.4-176.612.400114.3Q183 W185Q122-Q183 HydrophobicContact CB-CB 4.37Å; Q122-Q183 PolarHBondContact N-O 3.18Å; Q122-Q183 VanDerWaalsContact OE1-OE1 3.06Å; Q122-W185 HydrophobicContact CB-CH2 3.77Å; Q122-W185 HydrophobicContact CB-CZ3 3.8Å; Q122-W185 HydrophobicContact CG-CH2 3.87Å; Q122-W185 HydrophobicContact CG-CZ3 4.35Å
123K83.6Confident93.4Very high96 Ų9633.6 Ų33.642%0.41717%0.165SC..THydrogen-bonded Turntrans-106.212.8-173.4-50.1-167-159.9169.70113.6F121 N181F121-K123 VanDerWaalsContact C-N 3.34Å; F121-K123 PolarHBondContact O-N 3.49Å; K123-N181 HydrophobicContact CB-CB 4.22Å; K123-N181 VanDerWaalsContact CB-O 3.31Å; K123-N181 WeakPolarHBondContact CB-O 3.3Å; K123-N181 HydrophobicContact CD-CB 3.73Å; K123-N181 WeakPolarHBondContact CD-OD1 2.85Å; K123-N181 HydrophobicContact CG-CB 4.45Å; K123-N181 WeakPolarHBondContact CG-O 3.19Å; K123-N181 PolarHBondContact NZ-OD1 3.46Å
124I85.7Confident93.4Very high12 Ų1232.2 Ų32.26%0.06216%0.158CC..  trans-97.4141.5173.7-60.6-179.5000109.5F121 V145 Y150 I173 F177 L182F121-I124 HydrophobicContact CB-CB 3.74Å; F121-I124 HydrophobicContact CB-CD1 3.49Å; F121-I124 VanDerWaalsContact CB-CD1 3.49Å; F121-I124 HydrophobicContact CB-CG1 3.66Å; F121-I124 HydrophobicContact CD1-CD1 4.17Å; F121-I124 HydrophobicContact CD2-CD1 3.42Å; F121-I124 VanDerWaalsContact CD2-CD1 3.42Å; F121-I124 HydrophobicContact CD2-CG1 4.42Å; F121-I124 HydrophobicContact CE2-CD1 4.2Å; F121-I124 HydrophobicContact CG-CD1 3.43Å; F121-I124 VanDerWaalsContact CG-CD1 3.43Å; F121-I124 HydrophobicContact CG-CG1 4.19Å; F121-I124 PolarHBondContact O-N 2.88Å; I124-V145 HydrophobicContact CG2-CB 4.37Å; I124-V145 HydrophobicContact CG2-CG1 3.79Å; I124-V145 HydrophobicContact CG2-CG2 3.81Å; I124-Y150 HydrophobicContact CG2-CE2 4.22Å; I124-I173 HydrophobicContact CD1-CD1 3.84Å; I124-I173 HydrophobicContact CD1-CG1 4.26Å; I124-F177 HydrophobicContact CD1-CE1 4.23Å; I124-F177 HydrophobicContact CD1-CE2 3.89Å; I124-F177 HydrophobicContact CD1-CZ 3.74Å; I124-F177 HydrophobicContact CG1-CE1 3.87Å; I124-F177 HydrophobicContact CG1-CE2 4.43Å; I124-F177 HydrophobicContact CG1-CZ 3.83Å; I124-F177 HydrophobicContact CG2-CZ 4.48Å; I124-L182 HydrophobicContact CD1-CD2 3.48Å; I124-L182 VanDerWaalsContact CD1-CD2 3.48Å; I124-L182 HydrophobicContact CG1-CD2 3.9Å
125T89.5Confident93.3Very high38 Ų3834.1 Ų34.123%0.23317%0.166CC..  trans-95.3115.9171.9-51.60000109.1N146 R149T125-N146 HydrophobicContact CG2-CB 4.22Å; T125-N146 WeakPolarHBondContact O-CB 3.46Å; T125-N146 PolarHBondContact O-N 3.22Å; T125-R149 PolarHBondContact OG1-NH1 3.3Å
126F92.4Very high93.2Very high14 Ų1438.5 Ų38.56%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-84.9165.7173.4-65.6-80.2000111.7N103 S104 I120 F121 W143 H144 V145 V156N103-F126 WeakPolarHBondContact O-CB 3.05Å; S104-F126 VanDerWaalsContact C-CD2 3.47Å; S104-F126 WeakPolarHBondContact O-CD2 3.39Å; I120-F126 HydrophobicContact CB-CZ 4.35Å; I120-F126 HydrophobicContact CG2-CZ 4.24Å; F121-F126 HydrophobicContact CB-CE2 4.31Å; F121-F126 HydrophobicContact CB-CZ 4.1Å; F121-F126 HydrophobicContact CD2-CE1 4.19Å; F121-F126 AromaticContact CD2-CZ 3.63Å; F121-F126 HydrophobicContact CD2-CZ 3.63Å; F121-F126 HydrophobicContact CG-CZ 4.31Å; F126-W143 HydrophobicContact CD1-CB 3.45Å; F126-W143 VanDerWaalsContact CD1-CB 3.45Å; F126-W143 HydrophobicContact CD1-CG 4.25Å; F126-W143 HydrophobicContact CE1-CB 3.69Å; F126-W143 HydrophobicContact CE1-CG 4.46Å; F126-W143 HydrophobicContact CG-CB 4.15Å; F126-H144 CarbonylContact C-O 3.57Å; F126-H144 WeakPolarHBondContact CA-O 3.11Å; F126-V145 HydrophobicContact CD1-CG2 4.4Å; F126-V145 HydrophobicContact CE1-CG2 4.32Å; F126-V156 HydrophobicContact CE1-CG1 3.79Å; F126-V156 HydrophobicContact CZ-CG1 4.25Å
127E93.6Very high93Very high59 Ų5944.3 Ų44.328%0.27622%0.217SC..EExtended strand (participates in β ladder)trans-61.7158.7168.5-68.3-168.1172.600112N129 H144E127-N129 PolarHBondContact O-N 3.23Å; E127-H144 HydrophobicContact CG-CB 4.08Å; E127-H144 PolarHBondContact N-O 2.86Å
128E93.3Very high93Very high136 Ų13643.3 Ų43.364%0.63621%0.212SC*.EExtended strand (participates in β ladder)trans-64.7-30.4175.1-67-178.4178.500112.3N103N103-E128 WeakPolarHBondContact CB-O 3.42Å; N103-E128 PolarHBondContact ND2-O 3.34Å; N103-E128 VanDerWaalsContact ND2-O 3.16Å
129N94Very high92.9Very high27 Ų2743.4 Ų43.414%0.14421%0.213CC..EExtended strand (participates in β ladder)trans-98.5148.4179.3-56-59.7000110.7K75 K76 Q77 E127K75-N129 HydrophobicContact CD-CB 4.47Å; K75-N129 VanDerWaalsContact CE-CB 3.41Å; K75-N129 VanDerWaalsContact CE-CG 3.41Å; K75-N129 WeakPolarHBondContact CE-ND2 3.27Å; K75-N129 HydrophobicContact CG-CB 4.23Å; K76-N129 VanDerWaalsContact O-CA 3.22Å; K76-N129 WeakPolarHBondContact O-CA 3.25Å; K76-N129 WeakPolarHBondContact O-CB 3.2Å; K76-N129 PolarHBondContact O-OD1 3.04Å; Q77-N129 VanDerWaalsContact CA-OD1 3.24Å; Q77-N129 WeakPolarHBondContact CA-OD1 3.48Å; Q77-N129 WeakPolarHBondContact CB-OD1 3.46Å; Q77-N129 VanDerWaalsContact CG-OD1 3.23Å; Q77-N129 WeakPolarHBondContact CG-OD1 3.36Å; E127-N129 PolarHBondContact O-N 3.23Å
130F95.4Very high92.9Very high0 Ų042.2 Ų42.20%021%0.207CC..EExtended strand (participates in β ladder)trans-143.6162.6171.560.4-84.1000109.3K76 S78 Q81 I101 N103 T132 V141 A142 W143K76-F130 HydrophobicContact CB-CD2 4.48Å; K76-F130 HydrophobicContact CB-CE1 4.41Å; K76-F130 HydrophobicContact CB-CE2 4.2Å; K76-F130 HydrophobicContact CB-CZ 4.19Å; K76-F130 WeakPolarHBondContact CB-O 3.29Å; K76-F130 HydrophobicContact CG-CE2 4.33Å; K76-F130 PolarHBondContact N-O 3.48Å; K76-F130 PolarHBondContact O-N 3.22Å; S78-F130 WeakPolarHBondContact O-CE1 3.25Å; Q81-F130 HydrophobicContact CB-CE2 4.03Å; Q81-F130 HydrophobicContact CB-CZ 3.71Å; I101-F130 HydrophobicContact CB-CE2 4.04Å; I101-F130 HydrophobicContact CB-CZ 4.38Å; I101-F130 HydrophobicContact CG2-CD2 3.92Å; I101-F130 HydrophobicContact CG2-CE2 3.38Å; I101-F130 HydrophobicContact CG2-CZ 3.97Å; N103-F130 HydrophobicContact CB-CD1 3.55Å; N103-F130 HydrophobicContact CB-CE1 3.77Å; F130-T132 HydrophobicContact CD2-CG2 3.58Å; F130-T132 HydrophobicContact CE2-CG2 3.45Å; F130-T132 VanDerWaalsContact CE2-CG2 3.45Å; F130-V141 HydrophobicContact CD2-CG1 4.09Å; F130-A142 WeakPolarHBondContact CB-O 3.28Å; F130-W143 HydrophobicContact CB-CG 4.17Å
131N95.2Very high93.1Very high37 Ų3742.3 Ų42.320%0.19821%0.208CC..EExtended strand (participates in β ladder)trans-111.4137.6-172.4-70.115.8000109.3L73 S74 V141 A142L73-N131 HydrophobicContact CB-CB 3.8Å; S74-N131 WeakPolarHBondContact O-CA 3.49Å; N131-V141 CarbonylContact O-C 3.51Å; N131-V141 WeakPolarHBondContact O-CA 3.42Å; N131-A142 HydrophobicContact CB-CB 4.26Å; N131-A142 PolarHBondContact N-O 2.86Å; N131-A142 PolarHBondContact O-N 2.83Å
132T95.6Very high93.4Very high12 Ų1242.6 Ų42.67%0.07421%0.211CC..EExtended strand (participates in β ladder)trans-137146.5-177.563.90000112.3S74 K76 I101 F130 A140 V141S74-T132 PolarHBondContact N-O 2.97Å; S74-T132 PolarHBondContact O-N 3.43Å; K76-T132 WeakPolarHBondContact CE-OG1 3.42Å; K76-T132 HydrophobicContact CG-CG2 4.08Å; I101-T132 HydrophobicContact CD1-CG2 4.09Å; F130-T132 HydrophobicContact CD2-CG2 3.58Å; F130-T132 HydrophobicContact CE2-CG2 3.45Å; F130-T132 VanDerWaalsContact CE2-CG2 3.45Å; T132-A140 CarbonylContact C-O 3.59Å; T132-A140 VanDerWaalsContact CA-O 3.26Å; T132-A140 WeakPolarHBondContact CA-O 3.48Å; T132-V141 HydrophobicContact CG2-CG1 4.23Å
133A95.3Very high93.9Very high7 Ų737.9 Ų37.96%0.05819%0.189CC..EExtended strand (participates in β ladder)trans-131.1143.916300000109.9L73 F138 I139 A140L73-A133 HydrophobicContact CD2-CB 3.97Å; A133-F138 HydrophobicContact CB-CE2 4.05Å; A133-I139 CarbonylContact O-C 3.54Å; A133-I139 WeakPolarHBondContact O-CA 3.23Å; A133-A140 HydrophobicContact CB-CB 4.26Å; A133-A140 PolarHBondContact N-O 3.47Å; A133-A140 PolarHBondContact O-N 3.21Å
134N95.6Very high94.4Very high38 Ų3836.5 Ų36.520%0.20318%0.184CC..EExtended strand (participates in β ladder)trans-133.489.8176.6175.429.4000106.9V83 T84 K86 I139V83-N134 HydrophobicContact CG1-CB 3.9Å; T84-N134 PolarHBondContact O-ND2 3.08Å; K86-N134 VanDerWaalsContact CD-O 3.22Å; K86-N134 WeakPolarHBondContact CD-O 3.33Å; K86-N134 WeakPolarHBondContact CE-O 3.18Å; K86-N134 PolarHBondContact N-OD1 2.91Å; K86-N134 PolarHBondContact NZ-O 2.84Å; N134-I139 HydrophobicContact CB-CG1 4.48Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.4Å
135E95.1Very high94.7Very high66 Ų6636.1 Ų36.131%0.30818%0.182SC..  trans-108.8175.8-176.9-56.9-45.5140.700111.7K86 F87 E137 F138K86-E135 IonicContact NZ-OE2 2.82Å; K86-E135 PolarHBondContact NZ-OE2 3.29Å; F87-E135 WeakPolarHBondContact CD1-O 3.16Å; F87-E135 WeakPolarHBondContact CE1-O 3.43Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-F138 CarbonylContact C-O 3.55Å; E135-F138 WeakPolarHBondContact CA-O 3.13Å; E135-F138 HydrophobicContact CB-CE1 4.39Å; E135-F138 HydrophobicContact CB-CZ 4.37Å; E135-F138 HydrophobicContact CG-CE2 4.32Å; E135-F138 HydrophobicContact CG-CZ 4.06Å; E135-F138 PolarHBondContact N-O 3.39Å
136N95.4Very high94.7Very high105 Ų10536.2 Ų36.256%0.56118%0.181SC*.SBendtrans-71.4-32.4179.4-67.5-31.6000111.4F87F87-N136 VanDerWaalsContact CD1-O 3.28Å; F87-N136 WeakPolarHBondContact CD1-O 3.39Å
137E94.5Very high94.4Very high122 Ų12241.4 Ų41.457%0.5721%0.206SC*.SBendtrans-89.7-22.8-178.9-57.588.8175.800113.9E135 Y161 P162E135-E137 VanDerWaalsContact C-N 3.33Å; E137-Y161 WeakPolarHBondContact O-CD1 3.41Å; E137-P162 WeakPolarHBondContact O-CD 3.42Å
138F95.7Very high94.1Very high10 Ų1050 Ų504%0.04424%0.236CC..  trans-163161.3-177.863.2-91.7000113.3V69 S70 A133 E135 A140 L159 I160 Y161V69-F138 HydrophobicContact CG1-CD2 4.31Å; V69-F138 HydrophobicContact CG1-CE1 4.38Å; V69-F138 HydrophobicContact CG1-CE2 3.41Å; V69-F138 VanDerWaalsContact CG1-CE2 3.41Å; V69-F138 HydrophobicContact CG1-CZ 3.46Å; V69-F138 VanDerWaalsContact CG1-CZ 3.46Å; S70-F138 WeakPolarHBondContact O-CZ 3.41Å; A133-F138 HydrophobicContact CB-CE2 4.05Å; E135-F138 CarbonylContact C-O 3.55Å; E135-F138 WeakPolarHBondContact CA-O 3.13Å; E135-F138 HydrophobicContact CB-CE1 4.39Å; E135-F138 HydrophobicContact CB-CZ 4.37Å; E135-F138 HydrophobicContact CG-CE2 4.32Å; E135-F138 HydrophobicContact CG-CZ 4.06Å; E135-F138 PolarHBondContact N-O 3.39Å; F138-A140 HydrophobicContact CD2-CB 3.85Å; F138-A140 HydrophobicContact CE2-CB 3.87Å; F138-L159 HydrophobicContact CD2-CD2 4.44Å; F138-I160 CarbonylContact C-O 3.59Å; F138-I160 VanDerWaalsContact CA-O 3.23Å; F138-I160 WeakPolarHBondContact CA-O 3.28Å; F138-Y161 HydrophobicContact CB-CD1 4.15Å; F138-Y161 HydrophobicContact CB-CE1 4.03Å
139I96.8Very high93.6Very high2 Ų251.6 Ų51.61%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-111134158.8-65.1164.4000107.2P85 F87 L99 A133 N134 V141 L159 I160P85-I139 HydrophobicContact CB-CD1 3.79Å; P85-I139 HydrophobicContact CG-CD1 3.9Å; F87-I139 HydrophobicContact CE1-CD1 4.28Å; F87-I139 HydrophobicContact CE1-CG1 3.9Å; F87-I139 HydrophobicContact CZ-CB 4.49Å; F87-I139 HydrophobicContact CZ-CD1 3.88Å; F87-I139 HydrophobicContact CZ-CG1 3.79Å; L99-I139 HydrophobicContact CD1-CD1 3.86Å; L99-I139 HydrophobicContact CD1-CG2 4.43Å; A133-I139 CarbonylContact O-C 3.54Å; A133-I139 WeakPolarHBondContact O-CA 3.23Å; N134-I139 HydrophobicContact CB-CG1 4.48Å; N134-I139 WeakPolarHBondContact OD1-CG1 3.4Å; I139-V141 HydrophobicContact CG2-CG2 4.49Å; I139-L159 CarbonylContact O-C 3.53Å; I139-L159 WeakPolarHBondContact O-CA 3.49Å; I139-I160 HydrophobicContact CB-CB 4.26Å; I139-I160 PolarHBondContact N-O 2.86Å; I139-I160 PolarHBondContact O-N 2.7Å
140A96.7Very high93.1Very high0 Ų052.7 Ų52.70%024%0.238CC..EExtended strand (participates in β ladder)trans-124.5139.5177.900000110.6V69 L73 T132 A133 F138 L157 Y158 L159V69-A140 HydrophobicContact CG1-CB 4.29Å; L73-A140 HydrophobicContact CD2-CB 3.61Å; T132-A140 CarbonylContact C-O 3.59Å; T132-A140 VanDerWaalsContact CA-O 3.26Å; T132-A140 WeakPolarHBondContact CA-O 3.48Å; A133-A140 HydrophobicContact CB-CB 4.26Å; A133-A140 PolarHBondContact N-O 3.47Å; A133-A140 PolarHBondContact O-N 3.21Å; F138-A140 HydrophobicContact CD2-CB 3.85Å; F138-A140 HydrophobicContact CE2-CB 3.87Å; A140-L157 HydrophobicContact CB-CD1 4.23Å; A140-Y158 CarbonylContact C-O 3.59Å; A140-Y158 VanDerWaalsContact CA-O 3.31Å; A140-Y158 WeakPolarHBondContact CA-O 3.18Å; A140-L159 HydrophobicContact CB-CD2 3.56Å
141V96.7Very high92.4Very high2 Ų258 Ų581%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-135.7123174-169.10000109.1I101 I107 F130 N131 T132 I139 W143 L157 Y158I101-V141 HydrophobicContact CD1-CG2 3.63Å; I101-V141 HydrophobicContact CG1-CG2 4.26Å; I101-V141 HydrophobicContact CG2-CG1 3.6Å; I101-V141 HydrophobicContact CG2-CG2 4.26Å; I107-V141 HydrophobicContact CD1-CG2 4.37Å; F130-V141 HydrophobicContact CD2-CG1 4.09Å; N131-V141 CarbonylContact O-C 3.51Å; N131-V141 WeakPolarHBondContact O-CA 3.42Å; T132-V141 HydrophobicContact CG2-CG1 4.23Å; I139-V141 HydrophobicContact CG2-CG2 4.49Å; V141-W143 HydrophobicContact CB-CE3 4.31Å; V141-W143 HydrophobicContact CB-CH2 3.69Å; V141-W143 HydrophobicContact CB-CZ2 4.25Å; V141-W143 HydrophobicContact CB-CZ3 3.7Å; V141-W143 HydrophobicContact CG1-CD2 3.89Å; V141-W143 HydrophobicContact CG1-CE3 3.8Å; V141-W143 HydrophobicContact CG1-CH2 3.3Å; V141-W143 HydrophobicContact CG1-CZ2 3.36Å; V141-W143 HydrophobicContact CG1-CZ3 3.51Å; V141-W143 HydrophobicContact CG2-CH2 4.44Å; V141-L157 CarbonylContact O-C 3.55Å; V141-L157 WeakPolarHBondContact O-CA 3.03Å; V141-Y158 PolarHBondContact N-O 2.95Å; V141-Y158 PolarHBondContact O-N 2.82Å
142A95.9Very high91.7Very high11 Ų1160.8 Ų60.89%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-117129176.200000110.4L73 F130 N131 V156 L157L73-A142 HydrophobicContact CD1-CB 4.28Å; F130-A142 WeakPolarHBondContact CB-O 3.28Å; N131-A142 HydrophobicContact CB-CB 4.26Å; N131-A142 PolarHBondContact N-O 2.86Å; N131-A142 PolarHBondContact O-N 2.83Å; A142-V156 VanDerWaalsContact CA-O 3.29Å; A142-V156 WeakPolarHBondContact CA-O 3.44Å; A142-L157 HydrophobicContact CB-CD1 4.09Å
143W95.6Very high91.3Very high1 Ų160.3 Ų60.30%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-114.8145.8172.9-63.1-97.8000110.3I101 L102 I107 I120 F126 F130 V141 S155 V156I101-W143 HydrophobicContact CG2-CH2 4.47Å; I101-W143 HydrophobicContact CG2-CZ2 3.73Å; L102-W143 PolarHBondContact O-NE1 3.38Å; I107-W143 HydrophobicContact CD1-CH2 3.92Å; I107-W143 HydrophobicContact CG1-CH2 3.78Å; I107-W143 HydrophobicContact CG1-CZ2 4.18Å; I120-W143 HydrophobicContact CD1-CH2 4.45Å; I120-W143 HydrophobicContact CD1-CZ3 4.12Å; I120-W143 HydrophobicContact CG1-CE3 4.24Å; I120-W143 HydrophobicContact CG1-CH2 4.04Å; I120-W143 HydrophobicContact CG1-CZ3 3.79Å; F126-W143 HydrophobicContact CD1-CB 3.45Å; F126-W143 VanDerWaalsContact CD1-CB 3.45Å; F126-W143 HydrophobicContact CD1-CG 4.25Å; F126-W143 HydrophobicContact CE1-CB 3.69Å; F126-W143 HydrophobicContact CE1-CG 4.46Å; F126-W143 HydrophobicContact CG-CB 4.15Å; F130-W143 HydrophobicContact CB-CG 4.17Å; V141-W143 HydrophobicContact CB-CE3 4.31Å; V141-W143 HydrophobicContact CB-CH2 3.69Å; V141-W143 HydrophobicContact CB-CZ2 4.25Å; V141-W143 HydrophobicContact CB-CZ3 3.7Å; V141-W143 HydrophobicContact CG1-CD2 3.89Å; V141-W143 HydrophobicContact CG1-CE3 3.8Å; V141-W143 HydrophobicContact CG1-CH2 3.3Å; V141-W143 HydrophobicContact CG1-CZ2 3.36Å; V141-W143 HydrophobicContact CG1-CZ3 3.51Å; V141-W143 HydrophobicContact CG2-CH2 4.44Å; W143-S155 WeakPolarHBondContact O-CA 3.41Å; W143-V156 HydrophobicContact CB-CG1 4.04Å; W143-V156 HydrophobicContact CE3-CG1 4.19Å; W143-V156 PolarHBondContact N-O 2.81Å; W143-V156 PolarHBondContact O-N 2.75Å
144H94.4Very high91Very high68 Ų6860.4 Ų60.432%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-110.3138.5172.3-63.2-82.6000109.4F126 E127 G154F126-H144 CarbonylContact C-O 3.57Å; F126-H144 WeakPolarHBondContact CA-O 3.11Å; E127-H144 HydrophobicContact CG-CB 4.08Å; E127-H144 PolarHBondContact N-O 2.86Å; H144-G154 CarbonylContact C-O 3.5Å; H144-G154 WeakPolarHBondContact CA-O 3.24Å
145V91.9Very high90.9Very high4 Ų459.4 Ų59.42%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-72.2139.5175.7176.30000108.8I124 F126 E147 Y150 G154I124-V145 HydrophobicContact CG2-CB 4.37Å; I124-V145 HydrophobicContact CG2-CG1 3.79Å; I124-V145 HydrophobicContact CG2-CG2 3.81Å; F126-V145 HydrophobicContact CD1-CG2 4.4Å; F126-V145 HydrophobicContact CE1-CG2 4.32Å; V145-E147 PolarHBondContact O-N 3.14Å; V145-Y150 HydrophobicContact CG1-CD2 3.31Å; V145-Y150 HydrophobicContact CG1-CE2 4.16Å; V145-Y150 HydrophobicContact CG1-CG 3.79Å; V145-G154 PolarHBondContact N-O 3.33Å
146N90.2Very high90.9Very high39 Ų3956.3 Ų56.321%0.20927%0.268CS..  trans-66.7106.2-178.2-172.8-31.2000111.5T125 R148 R149 Y150T125-N146 HydrophobicContact CG2-CB 4.22Å; T125-N146 WeakPolarHBondContact O-CB 3.46Å; T125-N146 PolarHBondContact O-N 3.22Å; N146-R148 PolarHBondContact O-N 3.3Å; N146-R148 VanDerWaalsContact O-N 3.15Å; N146-R148 WeakPolarHBondContact OD1-CB 3.47Å; N146-R148 PolarHBondContact OD1-N 3.11Å; N146-R149 PolarHBondContact O-N 3.08Å; N146-Y150 PolarHBondContact O-N 3.47Å
147E86.3Confident90.9Very high124 Ų12452.2 Ų52.258%0.57925%0.246SC*.THydrogen-bonded Turntrans-62.5-23.4-176-64.3-172.9164.900113.9V145 R149 Y150V145-E147 PolarHBondContact O-N 3.14Å; E147-R149 VanDerWaalsContact C-N 3.25Å; E147-R149 PolarHBondContact O-N 2.6Å; E147-Y150 VanDerWaalsContact CA-O 3.32Å; E147-Y150 WeakPolarHBondContact CA-O 3.24Å; E147-Y150 CarbonylContact O-C 3.39Å; E147-Y150 PolarHBondContact O-N 3.13Å
148R86.9Confident91Very high240 Ų24046.4 Ų46.491%0.90622%0.219SC*.THydrogen-bonded Turntrans-68.5-26.6175.3-59.7-175.9-178.11752112.7N146N146-R148 PolarHBondContact O-N 3.3Å; N146-R148 VanDerWaalsContact O-N 3.15Å; N146-R148 WeakPolarHBondContact OD1-CB 3.47Å; N146-R148 PolarHBondContact OD1-N 3.11Å
149R82.6Confident91.1Very high169 Ų16946.1 Ų46.164%0.63822%0.217SC*.THydrogen-bonded Turntrans-94.9-27.6174.9-71.5-166.7178.4175-1.5112.2T125 N146 E147T125-R149 PolarHBondContact OG1-NH1 3.3Å; N146-R149 PolarHBondContact O-N 3.08Å; E147-R149 VanDerWaalsContact C-N 3.25Å; E147-R149 PolarHBondContact O-N 2.6Å
150Y82.9Confident91.1Very high49 Ų4946.1 Ų46.119%0.19222%0.217CC..  trans-136.893.4-170.6-61.6-65.2000109.2I124 V145 N146 E147 E152 G153 L174 F177I124-Y150 HydrophobicContact CG2-CE2 4.22Å; V145-Y150 HydrophobicContact CG1-CD2 3.31Å; V145-Y150 HydrophobicContact CG1-CE2 4.16Å; V145-Y150 HydrophobicContact CG1-CG 3.79Å; N146-Y150 PolarHBondContact O-N 3.47Å; E147-Y150 VanDerWaalsContact CA-O 3.32Å; E147-Y150 WeakPolarHBondContact CA-O 3.24Å; E147-Y150 CarbonylContact O-C 3.39Å; E147-Y150 PolarHBondContact O-N 3.13Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 2.94Å; Y150-E152 VanDerWaalsContact O-N 3.14Å; Y150-G153 WeakPolarHBondContact O-CA 3.09Å; Y150-G153 PolarHBondContact O-N 2.85Å; Y150-L174 HydrophobicContact CD1-CD1 3.49Å; Y150-L174 VanDerWaalsContact CD1-CD1 3.49Å; Y150-L174 HydrophobicContact CE1-CD1 4.43Å; Y150-L174 HydrophobicContact CG-CD1 4Å; Y150-F177 AromaticContact CD1-CE1 3.88Å; Y150-F177 HydrophobicContact CD1-CE1 3.88Å; Y150-F177 AromaticContact CD1-CZ 3.92Å; Y150-F177 HydrophobicContact CD1-CZ 3.92Å; Y150-F177 HydrophobicContact CE1-CD1 4.33Å; Y150-F177 AromaticContact CE1-CE1 3.34Å; Y150-F177 HydrophobicContact CE1-CE1 3.34Å; Y150-F177 AromaticContact CE1-CZ 3.84Å; Y150-F177 HydrophobicContact CE1-CZ 3.84Å; Y150-F177 HydrophobicContact CG-CZ 4.36Å; Y150-F177 AromaticContact CZ-CE1 3.68Å
151S80.2Confident91.2Very high113 Ų11349.7 Ų49.779%0.7923%0.231SC*.THydrogen-bonded Turntrans-61.3-26.8-166.951.80000115.4
152E81.8Confident91.2Very high95 Ų9552.1 Ų52.144%0.44425%0.247SC..THydrogen-bonded Turntrans-82.3-4.1174.6-34.6-177.8157.100112.8Y150 K172 L174Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 2.94Å; Y150-E152 VanDerWaalsContact O-N 3.14Å; E152-K172 WeakPolarHBondContact O-CE 3.5Å; E152-K172 PolarHBondContact O-NZ 3.5Å; E152-L174 HydrophobicContact CB-CD2 3.35Å; E152-L174 HydrophobicContact CG-CD2 3.4Å; E152-L174 VanDerWaalsContact CG-CD2 3.4Å; E152-L174 WeakPolarHBondContact OE2-CD2 3.28Å
153G86.1Confident91.2Very high2 Ų256.4 Ų56.42%0.02127%0.269CS..  trans62.7-157.6-176.100000112.8Y150Y150-G153 WeakPolarHBondContact O-CA 3.09Å; Y150-G153 PolarHBondContact O-N 2.85Å
154G90.2Very high91.3Very high9 Ų956.4 Ų56.49%0.09327%0.269CS..  trans167.9154.8-179.300000110.6H144 V145 K172H144-G154 CarbonylContact C-O 3.5Å; H144-G154 WeakPolarHBondContact CA-O 3.24Å; V145-G154 PolarHBondContact N-O 3.33Å; G154-K172 CarbonylContact C-O 3.57Å; G154-K172 WeakPolarHBondContact CA-O 3.36Å
155S93.4Very high91.4Very high16 Ų1655 Ų5511%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-146.6143.3179.948.30000110.6W143 E171 K172W143-S155 WeakPolarHBondContact O-CA 3.41Å; S155-E171 WeakPolarHBondContact CB-OE2 3.21Å; S155-E171 PolarHBondContact O-N 2.91Å; S155-E171 WeakPolarHBondContact OG-CB 3.43Å; S155-E171 PolarHBondContact OG-OE2 2.87Å; S155-K172 PolarHBondContact N-O 3.36Å; S155-K172 PolarHBondContact O-N 3.4Å
156V94.9Very high91.7Very high2 Ų254.9 Ų54.91%0.01226%0.261CS..EExtended strand (participates in β ladder)trans-141135.1179.161.40000109.3I120 F121 F126 A142 W143 I168 Y169 I170I120-V156 HydrophobicContact CG2-CB 4.14Å; I120-V156 HydrophobicContact CG2-CG1 3.64Å; I120-V156 HydrophobicContact CG2-CG2 3.58Å; F121-V156 HydrophobicContact CE2-CB 4.14Å; F121-V156 HydrophobicContact CE2-CG1 4.26Å; F121-V156 HydrophobicContact CE2-CG2 4.36Å; F126-V156 HydrophobicContact CE1-CG1 3.79Å; F126-V156 HydrophobicContact CZ-CG1 4.25Å; A142-V156 VanDerWaalsContact CA-O 3.29Å; A142-V156 WeakPolarHBondContact CA-O 3.44Å; W143-V156 HydrophobicContact CB-CG1 4.04Å; W143-V156 HydrophobicContact CE3-CG1 4.19Å; W143-V156 PolarHBondContact N-O 2.81Å; W143-V156 PolarHBondContact O-N 2.75Å; V156-I168 HydrophobicContact CG2-CG2 3.66Å; V156-Y169 WeakPolarHBondContact CA-O 3.47Å; V156-I170 HydrophobicContact CG2-CG1 4.48Å
157L95.9Very high92.1Very high18 Ų1854 Ų549%0.09426%0.256CS..EExtended strand (participates in β ladder)trans-115.7130.2178.4173.670.2000109P67 V69 A140 V141 A142 L159 I168 Y169P67-L157 HydrophobicContact CG-CD2 3.72Å; V69-L157 HydrophobicContact CG2-CD2 3.77Å; A140-L157 HydrophobicContact CB-CD1 4.23Å; V141-L157 CarbonylContact O-C 3.55Å; V141-L157 WeakPolarHBondContact O-CA 3.03Å; A142-L157 HydrophobicContact CB-CD1 4.09Å; L157-L159 HydrophobicContact CD1-CD2 4.3Å; L157-L159 HydrophobicContact CD2-CD1 4.16Å; L157-L159 HydrophobicContact CD2-CD2 4.33Å; L157-L159 HydrophobicContact CD2-CG 4.21Å; L157-L159 HydrophobicContact CG-CD2 4.34Å; L157-L159 HydrophobicContact CG-CG 4.16Å; L157-I168 WeakPolarHBondContact O-CA 3.39Å; L157-Y169 PolarHBondContact N-O 2.81Å; L157-Y169 PolarHBondContact O-N 2.85Å
158Y96.9Very high92.6Very high1 Ų148.2 Ų48.20%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-110.6133.4171.6-159.7-84.5000110I107 I118 I120 A140 V141 I160 M166 F167 I168I107-Y158 HydrophobicContact CD1-CD1 3.93Å; I107-Y158 HydrophobicContact CD1-CE1 4.32Å; I107-Y158 HydrophobicContact CD1-CG 4.23Å; I118-Y158 HydrophobicContact CD1-CE1 3.77Å; I118-Y158 HydrophobicContact CD1-CE2 4.34Å; I118-Y158 VanDerWaalsContact CD1-OH 3.23Å; I118-Y158 WeakPolarHBondContact CD1-OH 3.28Å; I118-Y158 HydrophobicContact CG2-CD2 4.14Å; I118-Y158 HydrophobicContact CG2-CE2 3.5Å; I120-Y158 HydrophobicContact CD1-CD2 3.43Å; I120-Y158 VanDerWaalsContact CD1-CD2 3.43Å; I120-Y158 HydrophobicContact CD1-CE2 4.04Å; I120-Y158 HydrophobicContact CD1-CG 4.29Å; A140-Y158 CarbonylContact C-O 3.59Å; A140-Y158 VanDerWaalsContact CA-O 3.31Å; A140-Y158 WeakPolarHBondContact CA-O 3.18Å; V141-Y158 PolarHBondContact N-O 2.95Å; V141-Y158 PolarHBondContact O-N 2.82Å; Y158-I160 HydrophobicContact CD1-CD1 4.34Å; Y158-I160 HydrophobicContact CD1-CG1 3.87Å; Y158-I160 HydrophobicContact CE1-CD1 4.06Å; Y158-I160 HydrophobicContact CE1-CG1 3.58Å; Y158-M166 HydrophobicContact CE1-CB 4.02Å; Y158-M166 HydrophobicContact CE1-CG 4.35Å; Y158-M166 HydrophobicContact CE1-SD 4.42Å; Y158-M166 WeakPolarHBondContact OH-CB 3.3Å; Y158-M166 PolarHBondContact OH-SD 3.02Å; Y158-F167 CarbonylContact C-O 3.55Å; Y158-F167 VanDerWaalsContact CA-O 3.26Å; Y158-F167 WeakPolarHBondContact CA-O 3.4Å; Y158-I168 HydrophobicContact CD2-CD1 4.43Å; Y158-I168 HydrophobicContact CD2-CG1 3.62Å; Y158-I168 HydrophobicContact CE2-CD1 4.06Å; Y158-I168 HydrophobicContact CE2-CG1 3.5Å; Y158-I168 VanDerWaalsContact CE2-CG1 3.5Å
159L96.9Very high93Very high3 Ų337 Ų372%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-123.9139.8178.6-62165.1000110.4P67 V69 F138 I139 A140 L157 Y161 M166 F167P67-L159 HydrophobicContact CG-CD1 4.44Å; V69-L159 HydrophobicContact CG2-CD2 4.05Å; F138-L159 HydrophobicContact CD2-CD2 4.44Å; I139-L159 CarbonylContact O-C 3.53Å; I139-L159 WeakPolarHBondContact O-CA 3.49Å; A140-L159 HydrophobicContact CB-CD2 3.56Å; L157-L159 HydrophobicContact CD1-CD2 4.3Å; L157-L159 HydrophobicContact CD2-CD1 4.16Å; L157-L159 HydrophobicContact CD2-CD2 4.33Å; L157-L159 HydrophobicContact CD2-CG 4.21Å; L157-L159 HydrophobicContact CG-CD2 4.34Å; L157-L159 HydrophobicContact CG-CG 4.16Å; L159-Y161 HydrophobicContact CB-CD2 4.44Å; L159-Y161 HydrophobicContact CB-CE2 3.8Å; L159-Y161 HydrophobicContact CD1-CE2 4.35Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 VanDerWaalsContact O-CA 3.22Å; L159-M166 WeakPolarHBondContact O-CA 3.27Å; L159-F167 HydrophobicContact CB-CB 4.21Å; L159-F167 HydrophobicContact CB-CD2 4.32Å; L159-F167 PolarHBondContact N-O 3.25Å; L159-F167 PolarHBondContact O-N 2.87Å
160I97.8Very high93.6Very high2 Ų229 Ų291%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-126.8129.9172.6-56.9170.4000108F87 F89 L99 F138 I139 Y158 M166F87-I160 HydrophobicContact CE2-CG2 4.39Å; F87-I160 HydrophobicContact CZ-CG2 4.48Å; F89-I160 HydrophobicContact CD1-CG2 4.42Å; F89-I160 HydrophobicContact CD2-CG2 3.97Å; F89-I160 HydrophobicContact CE1-CG2 4.16Å; F89-I160 HydrophobicContact CE2-CG2 3.7Å; F89-I160 HydrophobicContact CG-CG2 4.32Å; F89-I160 HydrophobicContact CZ-CD1 4.43Å; F89-I160 HydrophobicContact CZ-CG2 3.8Å; L99-I160 HydrophobicContact CD1-CD1 3.79Å; F138-I160 CarbonylContact C-O 3.59Å; F138-I160 VanDerWaalsContact CA-O 3.23Å; F138-I160 WeakPolarHBondContact CA-O 3.28Å; I139-I160 HydrophobicContact CB-CB 4.26Å; I139-I160 PolarHBondContact N-O 2.86Å; I139-I160 PolarHBondContact O-N 2.7Å; Y158-I160 HydrophobicContact CD1-CD1 4.34Å; Y158-I160 HydrophobicContact CD1-CG1 3.87Å; Y158-I160 HydrophobicContact CE1-CD1 4.06Å; Y158-I160 HydrophobicContact CE1-CG1 3.58Å; I160-M166 HydrophobicContact CG1-CG 4.26Å; I160-M166 HydrophobicContact CG2-CG 4.49Å
161Y97.3Very high94.2Very high75 Ų7530.7 Ų30.729%0.29417%0.166SC..  trans-110.7158.8179.8-71.1-90.5000112.4E137 F138 L159 N163 G164 K165 F167E137-Y161 WeakPolarHBondContact O-CD1 3.41Å; F138-Y161 HydrophobicContact CB-CD1 4.15Å; F138-Y161 HydrophobicContact CB-CE1 4.03Å; L159-Y161 HydrophobicContact CB-CD2 4.44Å; L159-Y161 HydrophobicContact CB-CE2 3.8Å; L159-Y161 HydrophobicContact CD1-CE2 4.35Å; Y161-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y161-N163 PolarHBondContact O-N 2.77Å; Y161-N163 VanDerWaalsContact O-N 3.16Å; Y161-G164 PolarHBondContact O-N 2.85Å; Y161-K165 PolarHBondContact N-O 3.14Å; Y161-F167 AromaticContact CD2-CD2 3.56Å; Y161-F167 HydrophobicContact CD2-CD2 3.56Å; Y161-F167 AromaticContact CD2-CE2 3.36Å; Y161-F167 HydrophobicContact CD2-CE2 3.36Å; Y161-F167 AromaticContact CE2-CD2 3.35Å; Y161-F167 HydrophobicContact CE2-CD2 3.35Å; Y161-F167 AromaticContact CE2-CE2 3.34Å; Y161-F167 HydrophobicContact CE2-CE2 3.34Å; Y161-F167 HydrophobicContact CG-CE2 4.46Å
162P97.6Very high94.7Very high53 Ų5329.7 Ų29.734%0.34415%0.147SC..THydrogen-bonded Turntrans-55.1-32.2179.6-29.132.8000115.3F87 E137 G164F87-P162 HydrophobicContact CB-CB 4.28Å; F87-P162 HydrophobicContact CB-CG 4.16Å; F87-P162 HydrophobicContact CD1-CG 4.04Å; F87-P162 HydrophobicContact CD2-CB 3.98Å; F87-P162 HydrophobicContact CD2-CG 3.95Å; F87-P162 HydrophobicContact CE1-CG 4.42Å; F87-P162 HydrophobicContact CE2-CG 4.32Å; F87-P162 HydrophobicContact CG-CB 4.13Å; F87-P162 HydrophobicContact CG-CG 3.78Å; E137-P162 WeakPolarHBondContact O-CD 3.42Å; P162-G164 PolarHBondContact O-N 2.94Å
163N96.2Very high95Very high102 Ų10225.7 Ų25.755%0.54513%0.129SC..THydrogen-bonded Turntrans-74-1.4176.664.30.2000113.5Y161 K165Y161-N163 WeakPolarHBondContact CB-OD1 3.47Å; Y161-N163 PolarHBondContact O-N 2.77Å; Y161-N163 VanDerWaalsContact O-N 3.16Å; N163-K165 VanDerWaalsContact C-N 3.32Å; N163-K165 VanDerWaalsContact OD1-CB 3.29Å; N163-K165 WeakPolarHBondContact OD1-CB 3.27Å; N163-K165 WeakPolarHBondContact OD1-CG 3.36Å; N163-K165 PolarHBondContact OD1-N 3.15Å
164G96.8Very high94.4Very high1 Ų126.2 Ų26.21%0.0113%0.131CC..SBendtrans83.52.8-177.700000114.3Y161 P162 P224Y161-G164 PolarHBondContact O-N 2.85Å; P162-G164 PolarHBondContact O-N 2.94Å; G164-P224 WeakPolarHBondContact O-CG 3.37Å
165K97.9Very high93.3Very high39 Ų3935.7 Ų35.717%0.1717%0.17CC..  trans-65138.6168.3-69.3-167.7178.1-143.30109.7Y161 N163 F167 E221 F222 E223Y161-K165 PolarHBondContact N-O 3.14Å; N163-K165 VanDerWaalsContact C-N 3.32Å; N163-K165 VanDerWaalsContact OD1-CB 3.29Å; N163-K165 WeakPolarHBondContact OD1-CB 3.27Å; N163-K165 WeakPolarHBondContact OD1-CG 3.36Å; N163-K165 PolarHBondContact OD1-N 3.15Å; K165-F167 HydrophobicContact CB-CE2 3.82Å; K165-F167 HydrophobicContact CB-CZ 4.12Å; K165-F167 HydrophobicContact CD-CZ 4.14Å; K165-E221 IonicContact NZ-OE2 3.01Å; K165-E221 PolarHBondContact NZ-OE2 3.47Å; K165-F222 WeakPolarHBondContact CA-O 3.2Å; K165-E223 WeakPolarHBondContact CE-OE1 3.2Å; K165-E223 HydrophobicContact CG-CB 4.45Å; K165-E223 HydrophobicContact CG-CG 4.47Å; K165-E223 IonicContact NZ-OE1 2.78Å; K165-E223 PolarHBondContact NZ-OE1 3.27Å; K165-E223 IonicContact NZ-OE2 3.99Å; K165-E223 PolarHBondContact NZ-OE2 2.88Å
166M98.2Very high91.7Very high1 Ų142.4 Ų42.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-127.8146.3176.7-56.2175.2-65.900109.8Y56 Y91 I118 Y158 L159 I160 I186 F222Y56-M166 HydrophobicContact CD1-CE 4.39Å; Y56-M166 HydrophobicContact CE1-CE 3.64Å; Y56-M166 HydrophobicContact CE2-CE 4.43Å; Y91-M166 HydrophobicContact CD2-CE 3.94Å; Y91-M166 HydrophobicContact CD2-SD 3.8Å; Y91-M166 HydrophobicContact CE2-CE 3.81Å; Y91-M166 HydrophobicContact CE2-SD 3.93Å; I118-M166 HydrophobicContact CD1-SD 4.32Å; Y158-M166 HydrophobicContact CE1-CB 4.02Å; Y158-M166 HydrophobicContact CE1-CG 4.35Å; Y158-M166 HydrophobicContact CE1-SD 4.42Å; Y158-M166 WeakPolarHBondContact OH-CB 3.3Å; Y158-M166 PolarHBondContact OH-SD 3.02Å; L159-M166 CarbonylContact O-C 3.55Å; L159-M166 VanDerWaalsContact O-CA 3.22Å; L159-M166 WeakPolarHBondContact O-CA 3.27Å; I160-M166 HydrophobicContact CG1-CG 4.26Å; I160-M166 HydrophobicContact CG2-CG 4.49Å; M166-I186 HydrophobicContact CE-CD1 3.76Å; M166-F222 HydrophobicContact CB-CB 4.38Å; M166-F222 HydrophobicContact CB-CD2 4.49Å; M166-F222 HydrophobicContact CE-CB 3.98Å; M166-F222 PolarHBondContact N-O 2.97Å; M166-F222 PolarHBondContact O-N 3.33Å
167F96.8Very high90.2Very high20 Ų2043.5 Ų43.59%0.08820%0.204CC..EExtended strand (participates in β ladder)trans-134.2143-178.7-56.4-88.3000111.6Y158 L159 Y161 K165 F219 V220 E221Y158-F167 CarbonylContact C-O 3.55Å; Y158-F167 VanDerWaalsContact CA-O 3.26Å; Y158-F167 WeakPolarHBondContact CA-O 3.4Å; L159-F167 HydrophobicContact CB-CB 4.21Å; L159-F167 HydrophobicContact CB-CD2 4.32Å; L159-F167 PolarHBondContact N-O 3.25Å; L159-F167 PolarHBondContact O-N 2.87Å; Y161-F167 AromaticContact CD2-CD2 3.56Å; Y161-F167 HydrophobicContact CD2-CD2 3.56Å; Y161-F167 AromaticContact CD2-CE2 3.36Å; Y161-F167 HydrophobicContact CD2-CE2 3.36Å; Y161-F167 AromaticContact CE2-CD2 3.35Å; Y161-F167 HydrophobicContact CE2-CD2 3.35Å; Y161-F167 AromaticContact CE2-CE2 3.34Å; Y161-F167 HydrophobicContact CE2-CE2 3.34Å; Y161-F167 HydrophobicContact CG-CE2 4.46Å; K165-F167 HydrophobicContact CB-CE2 3.82Å; K165-F167 HydrophobicContact CB-CZ 4.12Å; K165-F167 HydrophobicContact CD-CZ 4.14Å; F167-F219 HydrophobicContact CB-CE2 4.14Å; F167-F219 HydrophobicContact CB-CZ 3.96Å; F167-F219 HydrophobicContact CD1-CD1 4.21Å; F167-F219 AromaticContact CD1-CE1 3.14Å; F167-F219 HydrophobicContact CD1-CE1 3.14Å; F167-F219 HydrophobicContact CD1-CE2 4Å; F167-F219 AromaticContact CD1-CZ 3Å; F167-F219 HydrophobicContact CD1-CZ 3Å; F167-F219 AromaticContact CE1-CE1 3.43Å; F167-F219 HydrophobicContact CE1-CE1 3.43Å; F167-F219 VanDerWaalsContact CE1-CE1 3.43Å; F167-F219 AromaticContact CE1-CZ 3.46Å; F167-F219 HydrophobicContact CE1-CZ 3.46Å; F167-F219 VanDerWaalsContact CE1-CZ 3.46Å; F167-F219 HydrophobicContact CG-CE1 4.18Å; F167-F219 HydrophobicContact CG-CE2 4.3Å; F167-F219 AromaticContact CG-CZ 3.64Å; F167-F219 HydrophobicContact CG-CZ 3.64Å; F167-F219 HydrophobicContact CZ-CZ 4.45Å; F167-V220 CarbonylContact C-O 3.59Å; F167-V220 WeakPolarHBondContact CA-O 3.45Å; F167-E221 HydrophobicContact CD1-CB 3.59Å; F167-E221 HydrophobicContact CD1-CG 3.82Å; F167-E221 HydrophobicContact CE1-CB 3.53Å; F167-E221 HydrophobicContact CE1-CG 3.3Å; F167-E221 VanDerWaalsContact CE1-OE2 3.23Å; F167-E221 WeakPolarHBondContact CE1-OE2 3.48Å; F167-E221 HydrophobicContact CZ-CG 4Å; F167-E221 WeakPolarHBondContact CZ-OE2 3.45Å
168I96.8Very high88.7Confident2 Ų246.6 Ų46.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-115.8119.7166.2-49174.7000106.7V156 L157 Y158 I170 V209 F219 V220 F222V156-I168 HydrophobicContact CG2-CG2 3.66Å; L157-I168 WeakPolarHBondContact O-CA 3.39Å; Y158-I168 HydrophobicContact CD2-CD1 4.43Å; Y158-I168 HydrophobicContact CD2-CG1 3.62Å; Y158-I168 HydrophobicContact CE2-CD1 4.06Å; Y158-I168 HydrophobicContact CE2-CG1 3.5Å; Y158-I168 VanDerWaalsContact CE2-CG1 3.5Å; I168-I170 HydrophobicContact CG2-CG1 4.09Å; I168-V209 HydrophobicContact CD1-CG2 4.27Å; I168-F219 WeakPolarHBondContact O-CA 3.5Å; I168-V220 HydrophobicContact CB-CB 4.11Å; I168-V220 PolarHBondContact N-O 3.46Å; I168-V220 PolarHBondContact O-N 3.18Å; I168-F222 HydrophobicContact CD1-CE2 3.83Å; I168-F222 HydrophobicContact CD1-CZ 4.47Å; I168-F222 HydrophobicContact CG1-CE2 4.21Å
169Y97.1Very high87Confident5 Ų552.7 Ų52.72%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-108.3111.8167.7179-112.1000109.3Q64 T66 P67 V156 L157 E171 T218 F219Q64-Y169 HydrophobicContact CB-CE2 4.43Å; Q64-Y169 PolarHBondContact O-OH 2.82Å; T66-Y169 WeakPolarHBondContact CA-OH 3.46Å; T66-Y169 HydrophobicContact CG2-CE1 3.88Å; T66-Y169 PolarHBondContact N-OH 3.38Å; T66-Y169 WeakPolarHBondContact OG1-CE1 3.41Å; T66-Y169 PolarHBondContact OG1-OH 3.19Å; P67-Y169 VanDerWaalsContact CD-CD1 3.4Å; P67-Y169 HydrophobicContact CG-CD1 4.12Å; P67-Y169 HydrophobicContact CG-CG 4.07Å; V156-Y169 WeakPolarHBondContact CA-O 3.47Å; L157-Y169 PolarHBondContact N-O 2.81Å; L157-Y169 PolarHBondContact O-N 2.85Å; Y169-E171 HydrophobicContact CD1-CB 4.01Å; Y169-E171 HydrophobicContact CE1-CB 3.55Å; Y169-E171 HydrophobicContact CE1-CG 4.02Å; Y169-E171 PolarHBondContact O-N 3.02Å; Y169-T218 WeakPolarHBondContact CA-O 3.25Å; Y169-F219 HydrophobicContact CD2-CB 4.48Å; Y169-F219 HydrophobicContact CD2-CD2 4.11Å
170I95.2Very high85.6Confident2 Ų257.8 Ų57.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-88.495.8175.2-52.3176000106.2F121 V156 I168 I173 I214 K215 S216 R217 T218F121-I170 HydrophobicContact CE1-CD1 4.21Å; F121-I170 HydrophobicContact CZ-CD1 3.96Å; F121-I170 HydrophobicContact CZ-CG1 4.05Å; F121-I170 HydrophobicContact CZ-CG2 4.15Å; V156-I170 HydrophobicContact CG2-CG1 4.48Å; I168-I170 HydrophobicContact CG2-CG1 4.09Å; I170-I173 HydrophobicContact CG2-CB 3.95Å; I170-I173 HydrophobicContact CG2-CG2 3.99Å; I170-I214 HydrophobicContact CD1-CB 4.49Å; I170-I214 HydrophobicContact CD1-CG2 3.97Å; I170-K215 WeakPolarHBondContact CG2-O 3.45Å; I170-S216 CarbonylContact O-C 3.51Å; I170-R217 VanDerWaalsContact O-CA 3.28Å; I170-R217 WeakPolarHBondContact O-CA 3.38Å; I170-R217 PolarHBondContact O-N 3.25Å; I170-T218 PolarHBondContact N-O 2.8Å; I170-T218 PolarHBondContact O-N 3.28Å
171E94.1Very high84.4Confident84 Ų8460.3 Ų60.339%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-70.9-50.2-178.7177.9172.1-142.900110.3S155 Y169 R217S155-E171 WeakPolarHBondContact CB-OE2 3.21Å; S155-E171 PolarHBondContact O-N 2.91Å; S155-E171 WeakPolarHBondContact OG-CB 3.43Å; S155-E171 PolarHBondContact OG-OE2 2.87Å; Y169-E171 HydrophobicContact CD1-CB 4.01Å; Y169-E171 HydrophobicContact CE1-CB 3.55Å; Y169-E171 HydrophobicContact CE1-CG 4.02Å; Y169-E171 PolarHBondContact O-N 3.02Å; E171-R217 PolarHBondContact O-N 2.88Å
172K91.5Very high83.7Confident92 Ų9257.4 Ų57.440%0.428%0.279SS..EExtended strand (participates in β ladder)trans-144.1132179.1-172.5-179-173.7-175.60111.4E152 G154 S155E152-K172 WeakPolarHBondContact O-CE 3.5Å; E152-K172 PolarHBondContact O-NZ 3.5Å; G154-K172 CarbonylContact C-O 3.57Å; G154-K172 WeakPolarHBondContact CA-O 3.36Å; S155-K172 PolarHBondContact N-O 3.36Å; S155-K172 PolarHBondContact O-N 3.4Å
173I86.8Confident83.4Confident10 Ų1058.2 Ų58.25%0.05128%0.279CS..  trans-142.7147.7170.5-161.3170.7000110.1F121 I124 I170 F177 L182 I214 S216F121-I173 HydrophobicContact CD1-CD1 4.33Å; F121-I173 HydrophobicContact CD2-CD1 4.4Å; F121-I173 HydrophobicContact CE1-CD1 3.85Å; F121-I173 HydrophobicContact CE2-CD1 3.91Å; F121-I173 HydrophobicContact CZ-CD1 3.63Å; I124-I173 HydrophobicContact CD1-CD1 3.84Å; I124-I173 HydrophobicContact CD1-CG1 4.26Å; I170-I173 HydrophobicContact CG2-CB 3.95Å; I170-I173 HydrophobicContact CG2-CG2 3.99Å; I173-F177 HydrophobicContact CD1-CD2 4.4Å; I173-F177 HydrophobicContact CD1-CE2 4.33Å; I173-F177 HydrophobicContact CG1-CD2 3.96Å; I173-F177 HydrophobicContact CG1-CE2 3.65Å; I173-L182 HydrophobicContact CD1-CD1 4Å; I173-L182 HydrophobicContact CD1-CD2 3.87Å; I173-I214 HydrophobicContact CD1-CG2 3.77Å; I173-S216 PolarHBondContact N-OG 3.43Å; I173-S216 PolarHBondContact O-OG 2.9Å
174L75.2Confident83.3Confident13 Ų1353.5 Ų53.57%0.06825%0.253CS..  trans-63.4147178-57176.7000111.6Y150 E152 E176 F177Y150-L174 HydrophobicContact CD1-CD1 3.49Å; Y150-L174 VanDerWaalsContact CD1-CD1 3.49Å; Y150-L174 HydrophobicContact CE1-CD1 4.43Å; Y150-L174 HydrophobicContact CG-CD1 4Å; E152-L174 HydrophobicContact CB-CD2 3.35Å; E152-L174 HydrophobicContact CG-CD2 3.4Å; E152-L174 VanDerWaalsContact CG-CD2 3.4Å; E152-L174 WeakPolarHBondContact OE2-CD2 3.28Å; L174-E176 VanDerWaalsContact C-N 3.3Å; L174-F177 HydrophobicContact CB-CD2 3.67Å; L174-F177 HydrophobicContact CB-CE2 3.46Å; L174-F177 VanDerWaalsContact CB-CE2 3.46Å; L174-F177 HydrophobicContact CB-CZ 4.23Å; L174-F177 HydrophobicContact CD1-CE1 4.39Å; L174-F177 HydrophobicContact CD1-CE2 3.89Å; L174-F177 HydrophobicContact CD1-CZ 3.78Å; L174-F177 HydrophobicContact CG-CD2 4.42Å; L174-F177 HydrophobicContact CG-CE2 3.74Å; L174-F177 HydrophobicContact CG-CZ 4.1Å; L174-F177 WeakPolarHBondContact O-CD2 3.43Å
175K66.1Low83.3Confident208 Ų20853.8 Ų53.890%0.90425%0.254SS*.SBendtrans-76.7-17.9166.3-69.2-179.4179.5176.80113.1
176E59.6Low83.3Confident157 Ų15752 Ų5273%0.73425%0.246SC*.  trans-84.6-4.9-170-62-17216700114.9L174 D178L174-E176 VanDerWaalsContact C-N 3.3Å; E176-D178 PolarHBondContact O-N 3.43Å
177F62.8Low83.2Confident26 Ų2651.9 Ų51.911%0.11425%0.246CC..SBendtrans-64125.9173.5-66.8-69.9000108.7I124 Y150 I173 L174 E179 L182I124-F177 HydrophobicContact CD1-CE1 4.23Å; I124-F177 HydrophobicContact CD1-CE2 3.89Å; I124-F177 HydrophobicContact CD1-CZ 3.74Å; I124-F177 HydrophobicContact CG1-CE1 3.87Å; I124-F177 HydrophobicContact CG1-CE2 4.43Å; I124-F177 HydrophobicContact CG1-CZ 3.83Å; I124-F177 HydrophobicContact CG2-CZ 4.48Å; Y150-F177 AromaticContact CD1-CE1 3.88Å; Y150-F177 HydrophobicContact CD1-CE1 3.88Å; Y150-F177 AromaticContact CD1-CZ 3.92Å; Y150-F177 HydrophobicContact CD1-CZ 3.92Å; Y150-F177 HydrophobicContact CE1-CD1 4.33Å; Y150-F177 AromaticContact CE1-CE1 3.34Å; Y150-F177 HydrophobicContact CE1-CE1 3.34Å; Y150-F177 AromaticContact CE1-CZ 3.84Å; Y150-F177 HydrophobicContact CE1-CZ 3.84Å; Y150-F177 HydrophobicContact CG-CZ 4.36Å; Y150-F177 AromaticContact CZ-CE1 3.68Å; I173-F177 HydrophobicContact CD1-CD2 4.4Å; I173-F177 HydrophobicContact CD1-CE2 4.33Å; I173-F177 HydrophobicContact CG1-CD2 3.96Å; I173-F177 HydrophobicContact CG1-CE2 3.65Å; L174-F177 HydrophobicContact CB-CD2 3.67Å; L174-F177 HydrophobicContact CB-CE2 3.46Å; L174-F177 VanDerWaalsContact CB-CE2 3.46Å; L174-F177 HydrophobicContact CB-CZ 4.23Å; L174-F177 HydrophobicContact CD1-CE1 4.39Å; L174-F177 HydrophobicContact CD1-CE2 3.89Å; L174-F177 HydrophobicContact CD1-CZ 3.78Å; L174-F177 HydrophobicContact CG-CD2 4.42Å; L174-F177 HydrophobicContact CG-CE2 3.74Å; L174-F177 HydrophobicContact CG-CZ 4.1Å; L174-F177 WeakPolarHBondContact O-CD2 3.43Å; F177-E179 PolarHBondContact O-N 2.81Å; F177-L182 HydrophobicContact CB-CD1 3.62Å; F177-L182 HydrophobicContact CB-CD2 3.94Å; F177-L182 HydrophobicContact CB-CG 3.61Å; F177-L182 HydrophobicContact CD1-CD2 4.19Å; F177-L182 HydrophobicContact CD2-CD1 3.96Å; F177-L182 HydrophobicContact CD2-CD2 3.8Å; F177-L182 HydrophobicContact CD2-CG 4.24Å; F177-L182 HydrophobicContact CE2-CD2 4.35Å; F177-L182 HydrophobicContact CG-CD1 4.06Å; F177-L182 HydrophobicContact CG-CD2 3.72Å; F177-L182 HydrophobicContact CG-CG 3.98Å
178D65.3Low83.3Confident82 Ų8252 Ų5244%0.43925%0.246SC..  trans-48.7116160.6167.812.8000106.2E176 N180 N181E176-D178 PolarHBondContact O-N 3.43Å; D178-N180 PolarHBondContact O-N 3.09Å; D178-N180 WeakPolarHBondContact OD1-CB 3.42Å; D178-N180 PolarHBondContact OD1-N 3.03Å; D178-N180 PolarHBondContact OD1-ND2 3.31Å; D178-N181 VanDerWaalsContact O-CB 3.32Å; D178-N181 WeakPolarHBondContact O-CB 3.38Å; D178-N181 PolarHBondContact O-N 3.33Å; D178-N181 PolarHBondContact OD2-ND2 3.5Å
179E62.4Low83.2Confident129 Ų12954.1 Ų54.160%0.60325%0.254SS*.G310 helixtrans-48.1-40.4-172.7-68-174.216600108.9F177 N181 L182 I211F177-E179 PolarHBondContact O-N 2.81Å; E179-N181 PolarHBondContact O-N 2.95Å; E179-L182 PolarHBondContact O-N 2.95Å; E179-I211 HydrophobicContact CB-CD1 3.89Å; E179-I211 HydrophobicContact CB-CG1 4.01Å; E179-I211 WeakPolarHBondContact O-CD1 3.34Å; E179-I211 WeakPolarHBondContact O-CG1 3.41Å
180N66.7Low83.1Confident110 Ų11054.1 Ų54.159%0.58825%0.254SS*.G310 helixtrans-58.8-13.3179.9-58.9-56.2000115.5D178D178-N180 PolarHBondContact O-N 3.09Å; D178-N180 WeakPolarHBondContact OD1-CB 3.42Å; D178-N180 PolarHBondContact OD1-N 3.03Å; D178-N180 PolarHBondContact OD1-ND2 3.31Å
181N72.1Confident83Confident55 Ų5557.3 Ų57.329%0.29427%0.267SS..G310 helixtrans-96.4-16.8179.4-67.8-30.6000113.8K123 D178 E179 Q183K123-N181 HydrophobicContact CB-CB 4.22Å; K123-N181 VanDerWaalsContact CB-O 3.31Å; K123-N181 WeakPolarHBondContact CB-O 3.3Å; K123-N181 HydrophobicContact CD-CB 3.73Å; K123-N181 WeakPolarHBondContact CD-OD1 2.85Å; K123-N181 HydrophobicContact CG-CB 4.45Å; K123-N181 WeakPolarHBondContact CG-O 3.19Å; K123-N181 PolarHBondContact NZ-OD1 3.46Å; D178-N181 VanDerWaalsContact O-CB 3.32Å; D178-N181 WeakPolarHBondContact O-CB 3.38Å; D178-N181 PolarHBondContact O-N 3.33Å; D178-N181 PolarHBondContact OD2-ND2 3.5Å; E179-N181 PolarHBondContact O-N 2.95Å; N181-Q183 PolarHBondContact O-N 3.29Å
182L83.1Confident82.9Confident14 Ų1453.5 Ų53.57%0.07325%0.25CS..  trans-88.194.7178.7-68.8-179.4000110.6I124 I173 F177 E179 I214I124-L182 HydrophobicContact CD1-CD2 3.48Å; I124-L182 VanDerWaalsContact CD1-CD2 3.48Å; I124-L182 HydrophobicContact CG1-CD2 3.9Å; I173-L182 HydrophobicContact CD1-CD1 4Å; I173-L182 HydrophobicContact CD1-CD2 3.87Å; F177-L182 HydrophobicContact CB-CD1 3.62Å; F177-L182 HydrophobicContact CB-CD2 3.94Å; F177-L182 HydrophobicContact CB-CG 3.61Å; F177-L182 HydrophobicContact CD1-CD2 4.19Å; F177-L182 HydrophobicContact CD2-CD1 3.96Å; F177-L182 HydrophobicContact CD2-CD2 3.8Å; F177-L182 HydrophobicContact CD2-CG 4.24Å; F177-L182 HydrophobicContact CE2-CD2 4.35Å; F177-L182 HydrophobicContact CG-CD1 4.06Å; F177-L182 HydrophobicContact CG-CD2 3.72Å; F177-L182 HydrophobicContact CG-CG 3.98Å; E179-L182 PolarHBondContact O-N 2.95Å; L182-I214 HydrophobicContact CB-CD1 4.31Å; L182-I214 HydrophobicContact CB-CG2 4.44Å; L182-I214 HydrophobicContact CD1-CG2 4.11Å
183Q90.5Very high83Confident71 Ų7150.5 Ų50.533%0.33224%0.238SC..  trans-117.3125.8175-61.7-169.6-4.900110.6F121 Q122 N181 W185F121-Q183 WeakPolarHBondContact CA-O 3.5Å; Q122-Q183 HydrophobicContact CB-CB 4.37Å; Q122-Q183 PolarHBondContact N-O 3.18Å; Q122-Q183 VanDerWaalsContact OE1-OE1 3.06Å; N181-Q183 PolarHBondContact O-N 3.29Å; Q183-W185 HydrophobicContact CB-CE3 3.92Å; Q183-W185 HydrophobicContact CB-CZ3 3.53Å
184S94.5Very high83.3Confident2 Ų251.9 Ų51.91%0.01425%0.246CC..  trans-129.1135.7174.7-171.90000109H119 I120 H208 V209H119-S184 WeakPolarHBondContact O-CA 3.23Å; H119-S184 PolarHBondContact O-OG 3.28Å; I120-S184 VanDerWaalsContact O-CA 3.3Å; I120-S184 WeakPolarHBondContact O-CA 3.39Å; I120-S184 WeakPolarHBondContact O-CB 3.42Å; I120-S184 PolarHBondContact O-OG 3.29Å; S184-H208 WeakPolarHBondContact O-CA 3.07Å; S184-V209 PolarHBondContact O-N 3.42Å
185W96.6Very high84.1Confident8 Ų859.3 Ų59.33%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-160.7164177.966.586000113.4H119 Q122 Q183 R206 I207H119-W185 HydrophobicContact CB-CD2 3.84Å; H119-W185 HydrophobicContact CB-CE3 4.16Å; H119-W185 HydrophobicContact CB-CG 4.39Å; H119-W185 HydrophobicContact CB-CH2 4.04Å; H119-W185 HydrophobicContact CB-CZ2 3.72Å; H119-W185 HydrophobicContact CB-CZ3 4.25Å; H119-W185 AromaticContact CD2-CE2 3.44Å; H119-W185 VanDerWaalsContact CD2-CE2 3.44Å; H119-W185 AromaticContact CD2-CZ2 3.45Å; H119-W185 VanDerWaalsContact CD2-CZ2 3.45Å; H119-W185 WeakPolarHBondContact CD2-CZ2 3.39Å; H119-W185 AromaticContact CD2-NE1 3.27Å; H119-W185 PolarHBondContact CD2-NE1 3.22Å; H119-W185 VanDerWaalsContact CD2-NE1 3.27Å; H119-W185 AromaticContact CE1-CZ2 3.92Å; H119-W185 AromaticContact CG-CE2 3.53Å; H119-W185 AromaticContact CG-CH2 3.93Å; H119-W185 AromaticContact CG-CZ2 3.33Å; H119-W185 AromaticContact CG-NE1 3.81Å; H119-W185 PolarHBondContact N-O 3.28Å; H119-W185 AromaticContact ND1-CZ2 3.66Å; H119-W185 AromaticContact NE2-CZ2 3.78Å; H119-W185 PolarHBondContact O-N 3.27Å; Q122-W185 HydrophobicContact CB-CH2 3.77Å; Q122-W185 HydrophobicContact CB-CZ3 3.8Å; Q122-W185 HydrophobicContact CG-CH2 3.87Å; Q122-W185 HydrophobicContact CG-CZ3 4.35Å; Q183-W185 HydrophobicContact CB-CE3 3.92Å; Q183-W185 HydrophobicContact CB-CZ3 3.53Å; W185-R206 HydrophobicContact CB-CG 3.71Å; W185-R206 VanDerWaalsContact CD1-CD 3.49Å; W185-R206 VanDerWaalsContact CD1-NE 3.35Å; W185-R206 HydrophobicContact CG-CG 3.71Å; W185-I207 CarbonylContact C-O 3.53Å; W185-I207 WeakPolarHBondContact CA-O 3.3Å; W185-I207 VanDerWaalsContact CB-O 3.25Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å
186I98Very high85.3Confident0 Ų056 Ų560%027%0.265CS..EExtended strand (participates in β ladder)trans-119144.2162.867.7170.1000109Y56 Y92 Q117 I118 M166 R206 I207 F222Y56-I186 HydrophobicContact CD2-CD1 4.23Å; Y56-I186 HydrophobicContact CE2-CD1 4.4Å; Y92-I186 HydrophobicContact CE2-CD1 4.19Å; Y92-I186 HydrophobicContact CE2-CG1 4.34Å; Y92-I186 PolarHBondContact OH-O 3.18Å; Q117-I186 WeakPolarHBondContact O-CA 3.44Å; I118-I186 HydrophobicContact CB-CG2 4.28Å; I118-I186 HydrophobicContact CG1-CB 4.41Å; I118-I186 HydrophobicContact CG1-CG2 3.8Å; I118-I186 HydrophobicContact CG2-CG2 4.09Å; M166-I186 HydrophobicContact CE-CD1 3.76Å; I186-R206 CarbonylContact O-C 3.54Å; I186-R206 WeakPolarHBondContact O-CA 3.4Å; I186-I207 HydrophobicContact CD1-CD1 4.17Å; I186-I207 HydrophobicContact CG1-CB 3.9Å; I186-I207 HydrophobicContact CG1-CD1 4.22Å; I186-I207 HydrophobicContact CG1-CG1 4.39Å; I186-I207 PolarHBondContact N-O 3.13Å; I186-I207 PolarHBondContact O-N 3.28Å; I186-F222 HydrophobicContact CD1-CB 4.24Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.19Å; I186-F222 HydrophobicContact CD1-CE1 3.85Å; I186-F222 HydrophobicContact CD1-CE2 4.44Å; I186-F222 HydrophobicContact CD1-CG 3.74Å; I186-F222 HydrophobicContact CD1-CZ 4.28Å; I186-F222 HydrophobicContact CG1-CD1 4.25Å; I186-F222 HydrophobicContact CG1-CE1 4.02Å; I186-F222 HydrophobicContact CG1-CZ 4.26Å; I186-F222 HydrophobicContact CG2-CE2 4.1Å; I186-F222 HydrophobicContact CG2-CZ 4.21Å
187D97.2Very high86.8Confident0 Ų051.6 Ų51.60%026%0.256CS..EExtended strand (participates in β ladder)trans-143.6157.9172.165.930.2000113Y91 G116 Q117 R189 P203 R206Y91-D187 VanDerWaalsContact CE1-O 3.25Å; Y91-D187 WeakPolarHBondContact CE1-O 3.14Å; Y91-D187 PolarHBondContact OH-N 2.81Å; Y91-D187 PolarHBondContact OH-O 3Å; G116-D187 VanDerWaalsContact CA-O 3.32Å; G116-D187 WeakPolarHBondContact CA-O 3.44Å; Q117-D187 PolarHBondContact N-O 3.42Å; Q117-D187 VanDerWaalsContact N-O 3.07Å; Q117-D187 PolarHBondContact O-N 3.29Å; D187-R189 WeakPolarHBondContact OD1-CD 3.29Å; D187-R189 IonicContact OD2-NH1 2.91Å; D187-P203 HydrophobicContact CB-CB 4.42Å; D187-P203 WeakPolarHBondContact OD2-CB 3.29Å; D187-R206 HydrophobicContact CB-CB 3.91Å; D187-R206 HydrophobicContact CB-CG 4.15Å; D187-R206 IonicContact OD2-CZ 2.81Å; D187-R206 IonicContact OD2-NE 3.16Å; D187-R206 PolarHBondContact OD2-NE 3.16Å; D187-R206 IonicContact OD2-NH2 3.73Å; D187-R206 PolarHBondContact OD2-NH2 3.04Å
188Y97.2Very high88.3Confident21 Ų2154.8 Ų54.88%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-85.2146.4163.8-173.7-108.5000109.3Y92 Q94 I115 Y190 P203 Y204 T263Y92-Y188 HydrophobicContact CD1-CG 4.45Å; Y92-Y188 HydrophobicContact CG-CD2 4.22Å; Y92-Y188 HydrophobicContact CG-CG 4.4Å; Q94-Y188 HydrophobicContact CB-CE2 4.46Å; Q94-Y188 HydrophobicContact CG-CE2 3.57Å; I115-Y188 HydrophobicContact CB-CE2 3.89Å; I115-Y188 HydrophobicContact CG2-CE2 4.44Å; I115-Y188 WeakPolarHBondContact O-CA 3.4Å; I115-Y188 WeakPolarHBondContact O-CD2 3.01Å; I115-Y188 WeakPolarHBondContact O-CE2 3.43Å; Y188-Y190 AromaticContact CD1-CD2 3.57Å; Y188-Y190 HydrophobicContact CD1-CD2 3.57Å; Y188-Y190 AromaticContact CD1-CE2 3.97Å; Y188-Y190 HydrophobicContact CD1-CE2 3.97Å; Y188-Y190 AromaticContact CD1-CG 3.88Å; Y188-Y190 HydrophobicContact CD1-CG 3.88Å; Y188-Y190 AromaticContact CE1-CD1 3.77Å; Y188-Y190 HydrophobicContact CE1-CD1 3.77Å; Y188-Y190 AromaticContact CE1-CD2 3.61Å; Y188-Y190 HydrophobicContact CE1-CD2 3.61Å; Y188-Y190 AromaticContact CE1-CE1 3.94Å; Y188-Y190 HydrophobicContact CE1-CE1 3.94Å; Y188-Y190 AromaticContact CE1-CE2 3.83Å; Y188-Y190 HydrophobicContact CE1-CE2 3.83Å; Y188-Y190 AromaticContact CE1-CG 3.58Å; Y188-Y190 HydrophobicContact CE1-CG 3.58Å; Y188-Y190 AromaticContact CE1-CZ 3.96Å; Y188-P203 CarbonylContact O-C 3.54Å; Y188-P203 WeakPolarHBondContact O-CA 3.31Å; Y188-Y204 HydrophobicContact CD1-CD1 4.13Å; Y188-Y204 HydrophobicContact CD1-CG 4.43Å; Y188-Y204 HydrophobicContact CG-CD1 4.31Å; Y188-Y204 PolarHBondContact N-O 2.99Å; Y188-Y204 PolarHBondContact O-N 3.26Å; Y188-T263 HydrophobicContact CD1-CG2 4.24Å; Y188-T263 HydrophobicContact CD2-CG2 4.37Å; Y188-T263 HydrophobicContact CE1-CG2 4.49Å; Y188-T263 HydrophobicContact CG-CG2 4.19Å
189R96.3Very high89.7Confident48 Ų4855 Ų5518%0.18128%0.278CS..EExtended strand (participates in β ladder)trans-110.2103.4176.9-61.4-59-68-166.6-3.3109.3L114 I115 Q117 D187 F201 E202L114-R189 HydrophobicContact CD2-CB 4.1Å; L114-R189 HydrophobicContact CD2-CG 4.03Å; L114-R189 HydrophobicContact CG-CB 4Å; L114-R189 HydrophobicContact CG-CG 4.12Å; I115-R189 PolarHBondContact O-N 2.88Å; Q117-R189 HydrophobicContact CB-CG 4.34Å; D187-R189 WeakPolarHBondContact OD1-CD 3.29Å; D187-R189 IonicContact OD2-NH1 2.91Å; R189-F201 HydrophobicContact CB-CB 4.27Å; R189-F201 HydrophobicContact CB-CD1 4.49Å; R189-F201 PolarHBondContact NE-O 3.29Å; R189-F201 PolarHBondContact NH2-O 2.9Å; R189-E202 CarbonylContact C-O 3.6Å; R189-E202 WeakPolarHBondContact CA-O 3.33Å
190Y93.2Very high91.3Very high5 Ų550.5 Ų50.52%0.0226%0.26CS..EExtended strand (participates in β ladder)trans-85.4122.4-177.6-118.6-54.8000111.4F28 I33 Y188 C192 F201 E202 Y204 D262 T263 S265 K266F28-Y190 AromaticContact CE1-CD1 3.57Å; F28-Y190 HydrophobicContact CE1-CD1 3.57Å; F28-Y190 AromaticContact CE1-CE1 3.84Å; F28-Y190 HydrophobicContact CE1-CE1 3.84Å; F28-Y190 HydrophobicContact CE1-CG 4.16Å; F28-Y190 HydrophobicContact CZ-CD1 4Å; F28-Y190 AromaticContact CZ-CE1 3.86Å; F28-Y190 HydrophobicContact CZ-CE1 3.86Å; I33-Y190 HydrophobicContact CB-CD2 4.37Å; I33-Y190 HydrophobicContact CD1-CD2 3.75Å; I33-Y190 HydrophobicContact CD1-CG 3.71Å; I33-Y190 HydrophobicContact CG2-CD2 3.79Å; I33-Y190 HydrophobicContact CG2-CE2 3.86Å; I33-Y190 HydrophobicContact CG2-CG 4.4Å; Y188-Y190 AromaticContact CD1-CD2 3.57Å; Y188-Y190 HydrophobicContact CD1-CD2 3.57Å; Y188-Y190 AromaticContact CD1-CE2 3.97Å; Y188-Y190 HydrophobicContact CD1-CE2 3.97Å; Y188-Y190 AromaticContact CD1-CG 3.88Å; Y188-Y190 HydrophobicContact CD1-CG 3.88Å; Y188-Y190 AromaticContact CE1-CD1 3.77Å; Y188-Y190 HydrophobicContact CE1-CD1 3.77Å; Y188-Y190 AromaticContact CE1-CD2 3.61Å; Y188-Y190 HydrophobicContact CE1-CD2 3.61Å; Y188-Y190 AromaticContact CE1-CE1 3.94Å; Y188-Y190 HydrophobicContact CE1-CE1 3.94Å; Y188-Y190 AromaticContact CE1-CE2 3.83Å; Y188-Y190 HydrophobicContact CE1-CE2 3.83Å; Y188-Y190 AromaticContact CE1-CG 3.58Å; Y188-Y190 HydrophobicContact CE1-CG 3.58Å; Y188-Y190 AromaticContact CE1-CZ 3.96Å; Y190-C192 PolarHBondContact O-N 3.46Å; Y190-F201 CarbonylContact O-C 3.59Å; Y190-F201 VanDerWaalsContact O-CA 3.29Å; Y190-F201 WeakPolarHBondContact O-CA 3.15Å; Y190-E202 PolarHBondContact N-O 2.88Å; Y190-E202 PolarHBondContact O-N 2.83Å; Y190-Y204 HydrophobicContact CD2-CD1 4.49Å; Y190-Y204 HydrophobicContact CD2-CD2 4.03Å; Y190-Y204 AromaticContact CD2-CG 3.8Å; Y190-Y204 HydrophobicContact CD2-CG 3.8Å; Y190-Y204 HydrophobicContact CE2-CD2 4.09Å; Y190-Y204 HydrophobicContact CE2-CG 4.1Å; Y190-D262 PolarHBondContact OH-O 2.82Å; Y190-T263 WeakPolarHBondContact OH-CA 3.38Å; Y190-T263 PolarHBondContact OH-O 3.18Å; Y190-S265 WeakPolarHBondContact OH-CB 2.8Å; Y190-S265 PolarHBondContact OH-N 3.06Å; Y190-S265 VanDerWaalsContact OH-N 3.14Å; Y190-K266 HydrophobicContact CE1-CB 4.28Å
191K93.4Very high92.6Very high68 Ų6848 Ų4830%0.29624%0.244SC..EExtended strand (participates in β ladder)trans-75.3107.9171.6-170.4171.7-178.7171.70110.7D113 T199 V200 F201D113-K191 HydrophobicContact CB-CD 4.44Å; D113-K191 IonicContact OD1-NZ 2.75Å; D113-K191 PolarHBondContact OD1-NZ 2.85Å; D113-K191 VanDerWaalsContact OD2-CD 3.3Å; D113-K191 WeakPolarHBondContact OD2-CD 3.43Å; D113-K191 IonicContact OD2-NZ 3.67Å; D113-K191 PolarHBondContact OD2-NZ 2.99Å; K191-T199 HydrophobicContact CD-CG2 4.25Å; K191-T199 HydrophobicContact CG-CG2 3.69Å; K191-V200 WeakPolarHBondContact CA-O 3.38Å; K191-F201 HydrophobicContact CB-CD1 4.03Å; K191-F201 HydrophobicContact CB-CE1 3.74Å; K191-F201 HydrophobicContact CB-CZ 4.42Å; K191-F201 HydrophobicContact CD-CE1 4Å; K191-F201 HydrophobicContact CD-CZ 3.96Å; K191-F201 HydrophobicContact CG-CE1 3.99Å; K191-F201 HydrophobicContact CG-CZ 4.17Å
192C93Very high93.7Very high4 Ų449.2 Ų49.23%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-142.2169.6-175.1570000112F28 C30 Y190 V200F28-C192 HydrophobicContact CD1-CB 3.64Å; F28-C192 HydrophobicContact CE1-CB 3.88Å; F28-C192 CarbonylContact O-C 3.57Å; F28-C192 WeakPolarHBondContact O-CA 3.33Å; C30-C192 WeakPolarHBondContact CA-SG 3.48Å; C30-C192 HydrophobicContact CB-CB 3.99Å; C30-C192 WeakPolarHBondContact CB-SG 3.44Å; C30-C192 VanDerWaalsContact SG-C 3.54Å; C30-C192 WeakPolarHBondContact SG-CB 3.38Å; C30-C192 CovalentContact SG-SG 2.04Å; C30-C192 PolarHBondContact SG-SG 3.39Å; Y190-C192 PolarHBondContact O-N 3.46Å; C192-V200 PolarHBondContact N-O 2.82Å; C192-V200 PolarHBondContact O-N 2.97Å
193L93.4Very high94.3Very high30 Ų3050.8 Ų50.816%0.15726%0.259CS..EExtended strand (participates in β ladder)trans-92127.4173.5-60.8-176000111.1Q27 F28 T29 C30 N198Q27-L193 HydrophobicContact CB-CD1 3.77Å; Q27-L193 HydrophobicContact CG-CD1 4.05Å; Q27-L193 VanDerWaalsContact OE1-CD1 3.24Å; F28-L193 PolarHBondContact O-N 2.99Å; T29-L193 CarbonylContact C-O 3.54Å; T29-L193 WeakPolarHBondContact CA-O 3.32Å; C30-L193 PolarHBondContact N-O 2.89Å; C30-L193 PolarHBondContact SG-O 3.04Å; L193-N198 WeakPolarHBondContact CA-O 3.31Å
194D93.1Very high94.5Very high38 Ų3847.6 Ų47.620%0.20324%0.244CC..  trans-72.9-176171.973.47.6000111.9Q196 A197 N198 V200D194-Q196 PolarHBondContact O-N 2.95Å; D194-Q196 VanDerWaalsContact OD1-CA 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.33Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.48Å; D194-Q196 PolarHBondContact OD1-N 2.9Å; D194-A197 PolarHBondContact O-N 2.78Å; D194-A197 VanDerWaalsContact O-N 3.09Å; D194-A197 PolarHBondContact OD1-N 3.43Å; D194-N198 PolarHBondContact N-O 2.68Å; D194-N198 PolarHBondContact OD1-N 2.8Å; D194-N198 WeakPolarHBondContact OD2-CB 3.38Å; D194-N198 PolarHBondContact OD2-ND2 3.45Å; D194-V200 HydrophobicContact CB-CG1 4.27Å; D194-V200 HydrophobicContact CB-CG2 4Å
195K90.9Very high94.5Very high170 Ų17047.6 Ų47.674%0.73924%0.244SC*.THydrogen-bonded Turntrans-66-18.4179.3-67.1-178.9178179.60113.5
196Q92.6Very high94.5Very high137 Ų13750.8 Ų50.864%0.6426%0.256SS*.THydrogen-bonded Turntrans-98.57.1178.5-67.877.41600111.8D194 N198D194-Q196 PolarHBondContact O-N 2.95Å; D194-Q196 VanDerWaalsContact OD1-CA 3.27Å; D194-Q196 WeakPolarHBondContact OD1-CA 3.33Å; D194-Q196 WeakPolarHBondContact OD1-CB 3.48Å; D194-Q196 PolarHBondContact OD1-N 2.9Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.32Å; Q196-N198 PolarHBondContact O-N 3.05Å
197A90.4Very high94.5Very high65 Ų6550.8 Ų50.854%0.53726%0.256SS..SBendtrans62.422.5-175.800000114.6D194D194-A197 PolarHBondContact O-N 2.78Å; D194-A197 VanDerWaalsContact O-N 3.09Å; D194-A197 PolarHBondContact OD1-N 3.43Å
198N94.4Very high94.4Very high93 Ų9354.4 Ų54.450%0.49727%0.272SS..  trans-80.8144.4169.2-55.5-57.2000110.1L193 D194 Q196 V200L193-N198 WeakPolarHBondContact CA-O 3.31Å; D194-N198 PolarHBondContact N-O 2.68Å; D194-N198 PolarHBondContact OD1-N 2.8Å; D194-N198 WeakPolarHBondContact OD2-CB 3.38Å; D194-N198 PolarHBondContact OD2-ND2 3.45Å; Q196-N198 WeakPolarHBondContact CB-ND2 3.32Å; Q196-N198 PolarHBondContact O-N 3.05Å; N198-V200 HydrophobicContact CB-CG1 4.47Å; N198-V200 PolarHBondContact O-N 3.11Å
199T94.4Very high94.3Very high86 Ų8653.8 Ų53.853%0.52827%0.271SS..EExtended strand (participates in β ladder)trans-76118.1170.6-61.40000109.5K191K191-T199 HydrophobicContact CD-CG2 4.25Å; K191-T199 HydrophobicContact CG-CG2 3.69Å
200V95.6Very high94.2Very high36 Ų3652.3 Ų52.322%0.21827%0.267CS..EExtended strand (participates in β ladder)trans-127.2167178.6-62.20000110.5C30 K191 C192 D194 N198 E202C30-V200 WeakPolarHBondContact SG-CG2 3.02Å; K191-V200 WeakPolarHBondContact CA-O 3.38Å; C192-V200 PolarHBondContact N-O 2.82Å; C192-V200 PolarHBondContact O-N 2.97Å; D194-V200 HydrophobicContact CB-CG1 4.27Å; D194-V200 HydrophobicContact CB-CG2 4Å; N198-V200 HydrophobicContact CB-CG1 4.47Å; N198-V200 PolarHBondContact O-N 3.11Å; V200-E202 HydrophobicContact CG2-CG 3.97Å
201F95.2Very high94.1Very high58 Ų5855.1 Ų55.125%0.25428%0.282SS..EExtended strand (participates in β ladder)trans-113.6102.1173.6-69.2-87.9000108.7D113 L114 R189 Y190 K191D113-F201 HydrophobicContact CB-CE1 3.87Å; D113-F201 HydrophobicContact CB-CZ 3.98Å; L114-F201 HydrophobicContact CB-CD1 3.99Å; L114-F201 HydrophobicContact CB-CE1 3.91Å; L114-F201 HydrophobicContact CB-CG 4.41Å; L114-F201 HydrophobicContact CB-CZ 4.27Å; L114-F201 HydrophobicContact CD2-CB 4.18Å; L114-F201 HydrophobicContact CD2-CD1 4.41Å; L114-F201 HydrophobicContact CD2-CG 4.17Å; L114-F201 HydrophobicContact CG-CD1 4.5Å; L114-F201 WeakPolarHBondContact O-CD1 3.31Å; L114-F201 VanDerWaalsContact O-CE1 3.26Å; L114-F201 WeakPolarHBondContact O-CE1 3.29Å; R189-F201 HydrophobicContact CB-CB 4.27Å; R189-F201 HydrophobicContact CB-CD1 4.49Å; R189-F201 PolarHBondContact NE-O 3.29Å; R189-F201 PolarHBondContact NH2-O 2.9Å; Y190-F201 CarbonylContact O-C 3.59Å; Y190-F201 VanDerWaalsContact O-CA 3.29Å; Y190-F201 WeakPolarHBondContact O-CA 3.15Å; K191-F201 HydrophobicContact CB-CD1 4.03Å; K191-F201 HydrophobicContact CB-CE1 3.74Å; K191-F201 HydrophobicContact CB-CZ 4.42Å; K191-F201 HydrophobicContact CD-CE1 4Å; K191-F201 HydrophobicContact CD-CZ 3.96Å; K191-F201 HydrophobicContact CG-CE1 3.99Å; K191-F201 HydrophobicContact CG-CZ 4.17Å
202E95.1Very high94Very high80 Ų8055.3 Ų55.337%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-93.8145.5-178.4-72.1-66.8168.200111.6C30 I33 R189 Y190 V200C30-E202 HydrophobicContact CB-CG 3.86Å; C30-E202 VanDerWaalsContact SG-CG 3.55Å; I33-E202 HydrophobicContact CD1-CB 4.12Å; R189-E202 CarbonylContact C-O 3.6Å; R189-E202 WeakPolarHBondContact CA-O 3.33Å; Y190-E202 PolarHBondContact N-O 2.88Å; Y190-E202 PolarHBondContact O-N 2.83Å; V200-E202 HydrophobicContact CG2-CG 3.97Å
203P95.2Very high94Very high47 Ų4755.4 Ų55.431%0.30529%0.286SS..EExtended strand (participates in β ladder)trans-67.2137.4174.529.4-30.1000110.4D187 Y188D187-P203 HydrophobicContact CB-CB 4.42Å; D187-P203 WeakPolarHBondContact OD2-CB 3.29Å; Y188-P203 CarbonylContact O-C 3.54Å; Y188-P203 WeakPolarHBondContact O-CA 3.31Å
204Y95.1Very high93.9Very high3 Ų354.4 Ų54.41%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-128.3137.9175161-84.5000109.8I33 V36 E55 Y92 Y188 Y190 R206 R261 D262 T263I33-Y204 HydrophobicContact CB-CD2 4.24Å; I33-Y204 HydrophobicContact CG2-CD2 4.35Å; V36-Y204 HydrophobicContact CB-CD2 4.11Å; V36-Y204 HydrophobicContact CB-CE2 3.91Å; V36-Y204 HydrophobicContact CG1-CD2 4.17Å; V36-Y204 HydrophobicContact CG1-CE2 3.48Å; V36-Y204 VanDerWaalsContact CG1-CE2 3.48Å; E55-Y204 WeakPolarHBondContact OE1-CE1 3.39Å; E55-Y204 PolarHBondContact OE1-OH 2.85Å; Y92-Y204 HydrophobicContact CD1-CD1 4.45Å; Y92-Y204 HydrophobicContact CD1-CE1 4.33Å; Y92-Y204 HydrophobicContact CE1-CD1 4.45Å; Y92-Y204 HydrophobicContact CE1-CE1 4.43Å; Y188-Y204 HydrophobicContact CD1-CD1 4.13Å; Y188-Y204 HydrophobicContact CD1-CG 4.43Å; Y188-Y204 HydrophobicContact CG-CD1 4.31Å; Y188-Y204 PolarHBondContact N-O 2.99Å; Y188-Y204 PolarHBondContact O-N 3.26Å; Y190-Y204 HydrophobicContact CD2-CD1 4.49Å; Y190-Y204 HydrophobicContact CD2-CD2 4.03Å; Y190-Y204 AromaticContact CD2-CG 3.8Å; Y190-Y204 HydrophobicContact CD2-CG 3.8Å; Y190-Y204 HydrophobicContact CE2-CD2 4.09Å; Y190-Y204 HydrophobicContact CE2-CG 4.1Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 2.89Å; Y204-R261 WeakPolarHBondContact CE2-O 3.45Å; Y204-D262 WeakPolarHBondContact OH-CA 3.32Å; Y204-T263 HydrophobicContact CD1-CG2 4.33Å; Y204-T263 HydrophobicContact CE1-CG2 3.88Å
205N94.3Very high93.8Very high3 Ų357.7 Ų57.72%0.01629%0.294CS..EExtended strand (participates in β ladder)trans38.160.7177.9-163.136.5000112.9V36 Y38 H53 E55 Y92 I207V36-N205 PolarHBondContact O-N 3.45Å; Y38-N205 PolarHBondContact N-OD1 3.16Å; H53-N205 PolarHBondContact O-ND2 3.34Å; E55-N205 PolarHBondContact OE2-ND2 3.23Å; Y92-N205 HydrophobicContact CE1-CB 4.43Å; Y92-N205 PolarHBondContact OH-O 2.97Å; N205-I207 PolarHBondContact O-N 3.16Å
206R96.2Very high93.9Very high75 Ų7551.9 Ų51.928%0.28327%0.274SS..EExtended strand (participates in β ladder)trans-67.7125179.2178175.8-69.1179-5.4110.4W185 I186 D187 Y204 H208W185-R206 HydrophobicContact CB-CG 3.71Å; W185-R206 VanDerWaalsContact CD1-CD 3.49Å; W185-R206 VanDerWaalsContact CD1-NE 3.35Å; W185-R206 HydrophobicContact CG-CG 3.71Å; I186-R206 CarbonylContact O-C 3.54Å; I186-R206 WeakPolarHBondContact O-CA 3.4Å; D187-R206 HydrophobicContact CB-CB 3.91Å; D187-R206 HydrophobicContact CB-CG 4.15Å; D187-R206 IonicContact OD2-CZ 2.81Å; D187-R206 IonicContact OD2-NE 3.16Å; D187-R206 PolarHBondContact OD2-NE 3.16Å; D187-R206 IonicContact OD2-NH2 3.73Å; D187-R206 PolarHBondContact OD2-NH2 3.04Å; Y204-R206 VanDerWaalsContact C-N 3.33Å; Y204-R206 PolarHBondContact O-N 2.89Å; R206-H208 WeakPolarHBondContact CD-NE2 3.06Å
207I97.3Very high94.1Very high0 Ų050.3 Ų50.30%026%0.262CS..EExtended strand (participates in β ladder)trans-102.5109.1179.1-53.4172.4000108.4H53 Y56 W185 I186 N205 F222H53-I207 HydrophobicContact CB-CD1 3.46Å; H53-I207 VanDerWaalsContact CB-CD1 3.46Å; H53-I207 HydrophobicContact CB-CG1 3.65Å; H53-I207 HydrophobicContact CB-CG2 4.32Å; Y56-I207 HydrophobicContact CD2-CD1 4.04Å; Y56-I207 HydrophobicContact CG-CD1 4.34Å; W185-I207 CarbonylContact C-O 3.53Å; W185-I207 WeakPolarHBondContact CA-O 3.3Å; W185-I207 VanDerWaalsContact CB-O 3.25Å; W185-I207 WeakPolarHBondContact CB-O 3.42Å; I186-I207 HydrophobicContact CD1-CD1 4.17Å; I186-I207 HydrophobicContact CG1-CB 3.9Å; I186-I207 HydrophobicContact CG1-CD1 4.22Å; I186-I207 HydrophobicContact CG1-CG1 4.39Å; I186-I207 PolarHBondContact N-O 3.13Å; I186-I207 PolarHBondContact O-N 3.28Å; N205-I207 PolarHBondContact O-N 3.16Å; I207-F222 HydrophobicContact CB-CE1 4.32Å; I207-F222 HydrophobicContact CG2-CD1 4.37Å; I207-F222 HydrophobicContact CG2-CE1 3.71Å
208H96.2Very high94.3Very high75 Ų7547.2 Ų47.235%0.34724%0.237SC..EExtended strand (participates in β ladder)trans-83.9146.2176.9-74.2-86000111.4Q58 S184 R206Q58-H208 PolarHBondContact NE2-O 2.88Å; Q58-H208 VanDerWaalsContact NE2-O 3.08Å; S184-H208 WeakPolarHBondContact O-CA 3.07Å; R206-H208 WeakPolarHBondContact CD-NE2 3.06Å
209V95.6Very high94.5Very high8 Ų844.5 Ų44.55%0.04822%0.221CC..PPolyproline II helixtrans-79.3122.8158.6-173.80000107.3I60 I168 S184 I211 I214 V220 F222I60-V209 HydrophobicContact CD1-CG1 4.18Å; I168-V209 HydrophobicContact CD1-CG2 4.27Å; S184-V209 PolarHBondContact O-N 3.42Å; V209-I211 PolarHBondContact O-N 3.42Å; V209-I214 HydrophobicContact CB-CD1 4.36Å; V209-I214 HydrophobicContact CB-CG1 4.27Å; V209-I214 HydrophobicContact CG1-CD1 4.44Å; V209-I214 HydrophobicContact CG1-CG1 3.82Å; V209-V220 HydrophobicContact CG1-CG2 3.85Å; V209-V220 HydrophobicContact CG2-CG1 4.13Å; V209-V220 HydrophobicContact CG2-CG2 4.26Å; V209-F222 HydrophobicContact CG2-CZ 4.31Å
210P94.1Very high94.7Very high17 Ų1740.4 Ų40.411%0.1120%0.196CC..PPolyproline II helixtrans-59.5133.2177-21.632.6000111.5I60 N212 F213 I214I60-P210 VanDerWaalsContact CD1-CD 3.43Å; I60-P210 HydrophobicContact CD1-CG 4.11Å; P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 WeakPolarHBondContact CB-OD1 3.19Å; P210-N212 PolarHBondContact O-N 3.28Å; P210-F213 HydrophobicContact CB-CD2 4.11Å; P210-F213 WeakPolarHBondContact O-CB 3.4Å; P210-F213 PolarHBondContact O-N 3.39Å; P210-I214 PolarHBondContact O-N 3.18Å
211I90.6Very high94.8Very high64 Ų6439.7 Ų39.733%0.32819%0.19SC..G310 helixtrans-56.4-39.4-172.1-158.6160.7000113.5E179 V209 F213 I214E179-I211 HydrophobicContact CB-CD1 3.89Å; E179-I211 HydrophobicContact CB-CG1 4.01Å; E179-I211 WeakPolarHBondContact O-CD1 3.34Å; E179-I211 WeakPolarHBondContact O-CG1 3.41Å; V209-I211 PolarHBondContact O-N 3.42Å; I211-F213 PolarHBondContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 2.89Å
212N90.6Very high94.9Very high72 Ų7237 Ų3739%0.38518%0.178SC..G310 helixtrans-66.9-15.517956.3-37.3000113.5P210 K215P210-N212 VanDerWaalsContact C-N 3.28Å; P210-N212 WeakPolarHBondContact CB-OD1 3.19Å; P210-N212 PolarHBondContact O-N 3.28Å; N212-K215 WeakPolarHBondContact O-CE 3.29Å; N212-K215 PolarHBondContact O-NZ 3.02Å
213F93.1Very high95.1Very high6 Ų636.3 Ų36.33%0.02618%0.175CC..G310 helixtrans-101.8-7.2174.1-75-92.3000113.2E44 R49 I60 L62 P210 I211 K215 T218E44-F213 HydrophobicContact CG-CE2 4.25Å; E44-F213 HydrophobicContact CG-CZ 4.1Å; R49-F213 HydrophobicContact CB-CE1 4.13Å; R49-F213 HydrophobicContact CB-CE2 4.04Å; R49-F213 HydrophobicContact CB-CZ 3.75Å; I60-F213 HydrophobicContact CB-CD1 4.19Å; I60-F213 HydrophobicContact CD1-CB 4.24Å; I60-F213 HydrophobicContact CD1-CG 4.37Å; I60-F213 HydrophobicContact CG2-CB 3.88Å; I60-F213 HydrophobicContact CG2-CD1 3.65Å; I60-F213 HydrophobicContact CG2-CG 4.02Å; L62-F213 HydrophobicContact CD1-CD1 4.3Å; L62-F213 HydrophobicContact CD1-CE1 4.49Å; L62-F213 HydrophobicContact CD2-CB 4.49Å; L62-F213 HydrophobicContact CD2-CD1 3.8Å; L62-F213 HydrophobicContact CG-CD1 3.99Å; L62-F213 HydrophobicContact CG-CE1 4.32Å; P210-F213 HydrophobicContact CB-CD2 4.11Å; P210-F213 WeakPolarHBondContact O-CB 3.4Å; P210-F213 PolarHBondContact O-N 3.39Å; I211-F213 PolarHBondContact O-N 3.1Å; F213-K215 VanDerWaalsContact C-N 3.29Å; F213-K215 PolarHBondContact O-N 3.05Å; F213-T218 VanDerWaalsContact O-CG2 3.29Å; F213-T218 WeakPolarHBondContact O-CG2 3.41Å; F213-T218 PolarHBondContact O-OG1 2.73Å; F213-T218 VanDerWaalsContact O-OG1 3.06Å
214I91.6Very high95.2Very high10 Ų1035.6 Ų35.65%0.05117%0.17CC..  trans-77.183.2175.9-60179.3000108.8F121 I170 I173 L182 V209 P210 I211F121-I214 HydrophobicContact CD1-CG2 4.46Å; F121-I214 HydrophobicContact CE1-CG2 3.66Å; F121-I214 HydrophobicContact CZ-CG2 4.33Å; I170-I214 HydrophobicContact CD1-CB 4.49Å; I170-I214 HydrophobicContact CD1-CG2 3.97Å; I173-I214 HydrophobicContact CD1-CG2 3.77Å; L182-I214 HydrophobicContact CB-CD1 4.31Å; L182-I214 HydrophobicContact CB-CG2 4.44Å; L182-I214 HydrophobicContact CD1-CG2 4.11Å; V209-I214 HydrophobicContact CB-CD1 4.36Å; V209-I214 HydrophobicContact CB-CG1 4.27Å; V209-I214 HydrophobicContact CG1-CD1 4.44Å; V209-I214 HydrophobicContact CG1-CG1 3.82Å; P210-I214 PolarHBondContact O-N 3.18Å; I211-I214 PolarHBondContact O-N 2.89Å
215K91.6Very high95.3Very high107 Ų10735.5 Ų35.547%0.46517%0.17SC..  trans-133.1160.9-178.2-65.2174.7178.51600110.9L62 I170 N212 F213 T218L62-K215 HydrophobicContact CD1-CD 4.35Å; I170-K215 WeakPolarHBondContact CG2-O 3.45Å; N212-K215 WeakPolarHBondContact O-CE 3.29Å; N212-K215 PolarHBondContact O-NZ 3.02Å; F213-K215 VanDerWaalsContact C-N 3.29Å; F213-K215 PolarHBondContact O-N 3.05Å; K215-T218 PolarHBondContact N-OG1 2.84Å; K215-T218 WeakPolarHBondContact O-CB 3.43Å; K215-T218 PolarHBondContact O-N 3.27Å; K215-T218 PolarHBondContact O-OG1 2.85Å
216S93.1Very high95.2Very high48 Ų4839 Ų3934%0.33619%0.192SC..THydrogen-bonded Turntrans-54.8146.4169.4-58.80000110.5I170 I173 T218I170-S216 CarbonylContact O-C 3.51Å; I173-S216 PolarHBondContact N-OG 3.43Å; I173-S216 PolarHBondContact O-OG 2.9Å; S216-T218 VanDerWaalsContact C-N 3.27Å; S216-T218 PolarHBondContact O-N 3.38Å
217R95.5Very high95Very high103 Ų10340 Ų4039%0.38920%0.2SC..THydrogen-bonded Turntrans58.333.4-175.7-56.4178.865.9-162.27114.3D63 Q64 D65 I170 E171D63-R217 PolarHBondContact N-O 3.35Å; Q64-R217 PolarHBondContact N-O 3.35Å; Q64-R217 PolarHBondContact O-NE 2.95Å; D65-R217 IonicContact OD1-NH2 3.02Å; D65-R217 PolarHBondContact OD1-NH2 2.89Å; I170-R217 VanDerWaalsContact O-CA 3.28Å; I170-R217 WeakPolarHBondContact O-CA 3.38Å; I170-R217 PolarHBondContact O-N 3.25Å; E171-R217 PolarHBondContact O-N 2.88Å
218T96.3Very high94.8Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-95.9135.5174.8-590000110.9I60 L62 Y169 I170 F213 K215 S216 V220I60-T218 HydrophobicContact CG2-CG2 3.65Å; L62-T218 HydrophobicContact CD2-CG2 3.89Å; L62-T218 WeakPolarHBondContact CD2-OG1 3.13Å; Y169-T218 WeakPolarHBondContact CA-O 3.25Å; I170-T218 PolarHBondContact N-O 2.8Å; I170-T218 PolarHBondContact O-N 3.28Å; F213-T218 VanDerWaalsContact O-CG2 3.29Å; F213-T218 WeakPolarHBondContact O-CG2 3.41Å; F213-T218 PolarHBondContact O-OG1 2.73Å; F213-T218 VanDerWaalsContact O-OG1 3.06Å; K215-T218 PolarHBondContact N-OG1 2.84Å; K215-T218 WeakPolarHBondContact O-CB 3.43Å; K215-T218 PolarHBondContact O-N 3.27Å; K215-T218 PolarHBondContact O-OG1 2.85Å; S216-T218 VanDerWaalsContact C-N 3.27Å; S216-T218 PolarHBondContact O-N 3.38Å; T218-V220 HydrophobicContact CG2-CG2 4.1Å
219F97.5Very high94.8Very high37 Ų3736.6 Ų36.616%0.16218%0.184CC..EExtended strand (participates in β ladder)trans-113.2121.9171.5-167.5-96.8000110.3I60 R61 Q64 F167 I168 Y169 E221I60-F219 CarbonylContact C-O 3.54Å; I60-F219 WeakPolarHBondContact CA-O 3.25Å; R61-F219 PolarHBondContact N-O 3.09Å; R61-F219 PolarHBondContact O-N 2.95Å; Q64-F219 HydrophobicContact CB-CB 4.09Å; Q64-F219 HydrophobicContact CG-CB 3.68Å; F167-F219 HydrophobicContact CB-CE2 4.14Å; F167-F219 HydrophobicContact CB-CZ 3.96Å; F167-F219 HydrophobicContact CD1-CD1 4.21Å; F167-F219 AromaticContact CD1-CE1 3.14Å; F167-F219 HydrophobicContact CD1-CE1 3.14Å; F167-F219 HydrophobicContact CD1-CE2 4Å; F167-F219 AromaticContact CD1-CZ 3Å; F167-F219 HydrophobicContact CD1-CZ 3Å; F167-F219 AromaticContact CE1-CE1 3.43Å; F167-F219 HydrophobicContact CE1-CE1 3.43Å; F167-F219 VanDerWaalsContact CE1-CE1 3.43Å; F167-F219 AromaticContact CE1-CZ 3.46Å; F167-F219 HydrophobicContact CE1-CZ 3.46Å; F167-F219 VanDerWaalsContact CE1-CZ 3.46Å; F167-F219 HydrophobicContact CG-CE1 4.18Å; F167-F219 HydrophobicContact CG-CE2 4.3Å; F167-F219 AromaticContact CG-CZ 3.64Å; F167-F219 HydrophobicContact CG-CZ 3.64Å; F167-F219 HydrophobicContact CZ-CZ 4.45Å; I168-F219 WeakPolarHBondContact O-CA 3.5Å; Y169-F219 HydrophobicContact CD2-CB 4.48Å; Y169-F219 HydrophobicContact CD2-CD2 4.11Å; F219-E221 HydrophobicContact CE1-CB 4.3Å
220V98.1Very high94.7Very high0 Ų036.6 Ų36.60%018%0.183CC..EExtended strand (participates in β ladder)trans-112.2124.7174.4-176.70000108.1Q58 T59 I60 F167 I168 V209 T218 F222Q58-V220 HydrophobicContact CG-CG1 4.17Å; T59-V220 CarbonylContact O-C 3.48Å; T59-V220 WeakPolarHBondContact O-CA 3.32Å; I60-V220 HydrophobicContact CG1-CG1 4.26Å; I60-V220 HydrophobicContact CG1-CG2 4.34Å; I60-V220 HydrophobicContact CG2-CG2 4.11Å; F167-V220 CarbonylContact C-O 3.59Å; F167-V220 WeakPolarHBondContact CA-O 3.45Å; I168-V220 HydrophobicContact CB-CB 4.11Å; I168-V220 PolarHBondContact N-O 3.46Å; I168-V220 PolarHBondContact O-N 3.18Å; V209-V220 HydrophobicContact CG1-CG2 3.85Å; V209-V220 HydrophobicContact CG2-CG1 4.13Å; V209-V220 HydrophobicContact CG2-CG2 4.26Å; T218-V220 HydrophobicContact CG2-CG2 4.1Å; V220-F222 HydrophobicContact CG1-CD2 4.39Å; V220-F222 HydrophobicContact CG1-CE1 4.41Å; V220-F222 HydrophobicContact CG1-CE2 3.74Å; V220-F222 HydrophobicContact CG1-CZ 3.77Å
221E98.3Very high94.7Very high21 Ų2138.5 Ų38.510%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-110.1134.8174.4173.4179.454.800109.5Q58 T59 K165 F167 F219Q58-E221 VanDerWaalsContact CA-O 3.3Å; Q58-E221 WeakPolarHBondContact CA-O 3.3Å; T59-E221 PolarHBondContact N-O 3.13Å; T59-E221 PolarHBondContact O-N 2.95Å; T59-E221 PolarHBondContact OG1-OE1 3.37Å; K165-E221 IonicContact NZ-OE2 3.01Å; K165-E221 PolarHBondContact NZ-OE2 3.47Å; F167-E221 HydrophobicContact CD1-CB 3.59Å; F167-E221 HydrophobicContact CD1-CG 3.82Å; F167-E221 HydrophobicContact CE1-CB 3.53Å; F167-E221 HydrophobicContact CE1-CG 3.3Å; F167-E221 VanDerWaalsContact CE1-OE2 3.23Å; F167-E221 WeakPolarHBondContact CE1-OE2 3.48Å; F167-E221 HydrophobicContact CZ-CG 4Å; F167-E221 WeakPolarHBondContact CZ-OE2 3.45Å; F219-E221 HydrophobicContact CE1-CB 4.3Å
222F98.6Very high94.9Very high0 Ų037 Ų370%018%0.183CC..EExtended strand (participates in β ladder)trans-113112.5165-58.7-81.2000108.8Y56 F57 Q58 K165 M166 I168 I186 I207 V209 V220Y56-F222 HydrophobicContact CD1-CB 3.79Å; Y56-F222 HydrophobicContact CE1-CB 4.33Å; Y56-F222 HydrophobicContact CG-CB 4.34Å; F57-F222 WeakPolarHBondContact O-CA 3.36Å; Q58-F222 HydrophobicContact CB-CD1 4.32Å; Q58-F222 HydrophobicContact CB-CE1 4.37Å; Q58-F222 HydrophobicContact CG-CD1 4.23Å; Q58-F222 HydrophobicContact CG-CE1 3.93Å; K165-F222 WeakPolarHBondContact CA-O 3.2Å; M166-F222 HydrophobicContact CB-CB 4.38Å; M166-F222 HydrophobicContact CB-CD2 4.49Å; M166-F222 HydrophobicContact CE-CB 3.98Å; M166-F222 PolarHBondContact N-O 2.97Å; M166-F222 PolarHBondContact O-N 3.33Å; I168-F222 HydrophobicContact CD1-CE2 3.83Å; I168-F222 HydrophobicContact CD1-CZ 4.47Å; I168-F222 HydrophobicContact CG1-CE2 4.21Å; I186-F222 HydrophobicContact CD1-CB 4.24Å; I186-F222 HydrophobicContact CD1-CD1 3.57Å; I186-F222 HydrophobicContact CD1-CD2 4.19Å; I186-F222 HydrophobicContact CD1-CE1 3.85Å; I186-F222 HydrophobicContact CD1-CE2 4.44Å; I186-F222 HydrophobicContact CD1-CG 3.74Å; I186-F222 HydrophobicContact CD1-CZ 4.28Å; I186-F222 HydrophobicContact CG1-CD1 4.25Å; I186-F222 HydrophobicContact CG1-CE1 4.02Å; I186-F222 HydrophobicContact CG1-CZ 4.26Å; I186-F222 HydrophobicContact CG2-CE2 4.1Å; I186-F222 HydrophobicContact CG2-CZ 4.21Å; I207-F222 HydrophobicContact CB-CE1 4.32Å; I207-F222 HydrophobicContact CG2-CD1 4.37Å; I207-F222 HydrophobicContact CG2-CE1 3.71Å; V209-F222 HydrophobicContact CG2-CZ 4.31Å; V220-F222 HydrophobicContact CG1-CD2 4.39Å; V220-F222 HydrophobicContact CG1-CE1 4.41Å; V220-F222 HydrophobicContact CG1-CE2 3.74Å; V220-F222 HydrophobicContact CG1-CZ 3.77Å
223E98.3Very high95.1Very high67 Ų6739.7 Ų39.731%0.31320%0.201SC..EExtended strand (participates in β ladder)trans-106.4124.2177.9172.3160.2-151.900110.3Y56 F57 K165 N225Y56-E223 CarbonylContact C-O 3.54Å; Y56-E223 VanDerWaalsContact CA-O 3.24Å; Y56-E223 WeakPolarHBondContact CA-O 3.48Å; Y56-E223 VanDerWaalsContact CD1-C 3.48Å; F57-E223 PolarHBondContact N-O 3.48Å; F57-E223 PolarHBondContact O-N 3.48Å; K165-E223 WeakPolarHBondContact CE-OE1 3.2Å; K165-E223 HydrophobicContact CG-CB 4.45Å; K165-E223 HydrophobicContact CG-CG 4.47Å; K165-E223 IonicContact NZ-OE1 2.78Å; K165-E223 PolarHBondContact NZ-OE1 3.27Å; K165-E223 IonicContact NZ-OE2 3.99Å; K165-E223 PolarHBondContact NZ-OE2 2.88Å; E223-N225 PolarHBondContact O-N 3.46Å
224P97.8Very high95.3Very high31 Ų3141.4 Ų41.420%0.20121%0.214CC..EExtended strand (participates in β ladder)trans-54126.7177.2-2633.5000112Y56 G164 T226Y56-P224 HydrophobicContact CD1-CG 4.4Å; Y56-P224 HydrophobicContact CE1-CB 4.32Å; Y56-P224 HydrophobicContact CE1-CG 3.84Å; G164-P224 WeakPolarHBondContact O-CG 3.37Å; P224-T226 PolarHBondContact O-N 3.35Å
225N95.8Very high95.5Very high1 Ų145.9 Ų45.91%0.00523%0.233CC..  trans-80.3102.4178.8-175.1-15.4000110.2D52 Y54 E55 F57 E223 E227 S228 M231D52-N225 PolarHBondContact OD1-ND2 2.75Å; Y54-N225 VanDerWaalsContact O-CB 3.29Å; Y54-N225 WeakPolarHBondContact O-CB 3.3Å; Y54-N225 PolarHBondContact O-ND2 3.3Å; E55-N225 PolarHBondContact O-N 3.44Å; F57-N225 HydrophobicContact CD2-CB 4.02Å; F57-N225 HydrophobicContact CE2-CB 3.82Å; F57-N225 VanDerWaalsContact CE2-CG 3.41Å; F57-N225 WeakPolarHBondContact CE2-OD1 3.22Å; F57-N225 HydrophobicContact CZ-CB 4.38Å; F57-N225 WeakPolarHBondContact CZ-ND2 3.27Å; E223-N225 PolarHBondContact O-N 3.46Å; N225-E227 PolarHBondContact O-N 2.97Å; N225-E227 WeakPolarHBondContact OD1-CA 3.45Å; N225-E227 WeakPolarHBondContact OD1-CB 3.23Å; N225-E227 PolarHBondContact OD1-N 3.43Å; N225-S228 PolarHBondContact ND2-OG 3.18Å; N225-S228 PolarHBondContact OD1-N 2.98Å; N225-M231 WeakPolarHBondContact O-CG 3.33Å
226T92.5Very high95.7Very high77 Ų7747.4 Ų47.447%0.47224%0.242SC..THydrogen-bonded Turntrans-76.1-8.1178.7580000113.8P224 M231 K232P224-T226 PolarHBondContact O-N 3.35Å; T226-M231 HydrophobicContact CG2-CE 4.46Å; T226-K232 PolarHBondContact O-NZ 3.3Å
227E91.5Very high95.9Very high97 Ų9747.9 Ų47.945%0.45324%0.243SC..THydrogen-bonded Turntrans-93.6-11-175.9-59.5-44.1121.300114.6N225 K232N225-E227 PolarHBondContact O-N 2.97Å; N225-E227 WeakPolarHBondContact OD1-CA 3.45Å; N225-E227 WeakPolarHBondContact OD1-CB 3.23Å; N225-E227 PolarHBondContact OD1-N 3.43Å; E227-K232 WeakPolarHBondContact O-CE 3.34Å; E227-K232 IonicContact OE1-NZ 3.23Å; E227-K232 IonicContact OE2-NZ 3.29Å; E227-K232 PolarHBondContact OE2-NZ 2.85Å
228S93.7Very high96Very high3 Ų343 Ų432%0.02122%0.224CC..SBendtrans-78.2157.5-179.5-68.10000113.9Y54 N225 F230 M231Y54-S228 VanDerWaalsContact O-CB 3.24Å; Y54-S228 WeakPolarHBondContact O-CB 3.38Å; Y54-S228 PolarHBondContact O-OG 3.05Å; N225-S228 PolarHBondContact ND2-OG 3.18Å; N225-S228 PolarHBondContact OD1-N 2.98Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 3.5Å; S228-M231 WeakPolarHBondContact O-CB 3.28Å; S228-M231 PolarHBondContact O-N 3.35Å; S228-M231 VanDerWaalsContact O-N 3.09Å
229C96.1Very high95.9Very high0 Ų046.9 Ų46.90%025%0.245CC..G310 helixtrans-52.7-48-172.4-45.70000112.4Y54 M231 K232 C248 C257Y54-C229 VanDerWaalsContact OH-CB 3.32Å; Y54-C229 WeakPolarHBondContact OH-CB 3.38Å; C229-M231 PolarHBondContact O-N 3.49Å; C229-K232 PolarHBondContact O-N 2.04Å; C229-C248 VanDerWaalsContact CA-SG 3.52Å; C229-C248 HydrophobicContact CB-CB 3.7Å; C229-C248 WeakPolarHBondContact CB-SG 3.47Å; C229-C248 WeakPolarHBondContact SG-CA 3.22Å; C229-C248 WeakPolarHBondContact SG-CB 3.21Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 2.88Å; C229-C257 WeakPolarHBondContact O-CB 3.39Å; C229-C257 PolarHBondContact O-SG 2.81Å
230F94.1Very high95.8Very high8 Ų851 Ų514%0.03527%0.269CS..G310 helixtrans-62.2-13.6-175.577.9-81.1000115.2Y54 E55 S228 D262 R264Y54-F230 HydrophobicContact CD1-CD1 4.35Å; Y54-F230 HydrophobicContact CD1-CE1 4.41Å; Y54-F230 AromaticContact CE1-CD1 3.63Å; Y54-F230 HydrophobicContact CE1-CD1 3.63Å; Y54-F230 HydrophobicContact CE1-CE1 4.12Å; E55-F230 HydrophobicContact CB-CE1 4.21Å; E55-F230 HydrophobicContact CB-CZ 3.99Å; E55-F230 HydrophobicContact CG-CD1 4.38Å; E55-F230 HydrophobicContact CG-CE1 3.67Å; E55-F230 HydrophobicContact CG-CE2 4.28Å; E55-F230 HydrophobicContact CG-CZ 3.62Å; S228-F230 VanDerWaalsContact C-N 3.33Å; S228-F230 PolarHBondContact O-N 3.5Å; F230-D262 HydrophobicContact CB-CB 4.28Å; F230-R264 HydrophobicContact CB-CG 3.98Å
231M94.1Very high95.7Very high57 Ų5751.7 Ų51.728%0.28127%0.274SS..G310 helixtrans-93.3-14.1177.7-68.2-63-74.900113.3N225 T226 S228 C229N225-M231 WeakPolarHBondContact O-CG 3.33Å; T226-M231 HydrophobicContact CG2-CE 4.46Å; S228-M231 WeakPolarHBondContact O-CB 3.28Å; S228-M231 PolarHBondContact O-N 3.35Å; S228-M231 VanDerWaalsContact O-N 3.09Å; C229-M231 PolarHBondContact O-N 3.49Å
232K95.5Very high95.4Very high32 Ų3252.9 Ų52.914%0.13929%0.285CS..  trans-82.7132.7-176.9-52.6-53.6-173.6-173.30111.1T226 E227 C229 T237 C238 A241 C257T226-K232 PolarHBondContact O-NZ 3.3Å; E227-K232 WeakPolarHBondContact O-CE 3.34Å; E227-K232 IonicContact OE1-NZ 3.23Å; E227-K232 IonicContact OE2-NZ 3.29Å; E227-K232 PolarHBondContact OE2-NZ 2.85Å; C229-K232 PolarHBondContact O-N 2.04Å; K232-T237 WeakPolarHBondContact CG-O 3.17Å; K232-C238 HydrophobicContact CB-CB 4.23Å; K232-A241 HydrophobicContact CD-CB 4.21Å; K232-A241 HydrophobicContact CG-CB 3.76Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.34Å
233V94.7Very high95Very high129 Ų12955.7 Ų55.778%0.78230%0.297SS*.  trans-107.52.1-171.1-61.40000114.3W250V233-W250 WeakPolarHBondContact O-CH2 3.26Å
234S95.9Very high94.3Very high41 Ų4159.5 Ų59.529%0.28733%0.328SS..SBendtrans-138.1157.6177.780.50000111E236 T237 C238 W250S234-E236 VanDerWaalsContact C-N 3.33Å; S234-E236 PolarHBondContact O-N 3.01Å; S234-T237 PolarHBondContact N-OG1 2.83Å; S234-T237 PolarHBondContact O-OG1 3.09Å; S234-T237 WeakPolarHBondContact OG-CB 3.47Å; S234-T237 WeakPolarHBondContact OG-CG2 3.36Å; S234-T237 PolarHBondContact OG-N 3.25Å; S234-T237 VanDerWaalsContact OG-N 3.13Å; S234-T237 PolarHBondContact OG-OG1 2.82Å; S234-C238 WeakPolarHBondContact O-CB 3.43Å; S234-C238 PolarHBondContact O-N 2.94Å; S234-W250 WeakPolarHBondContact O-CZ3 3.44Å
235K96.5Very high93.6Very high104 Ų10461.7 Ų61.745%0.45234%0.338SS..Hα-helixtrans-57.5-45.5176.9-176.5178179.3-173.20111.8C238 L239 W250K235-C238 WeakPolarHBondContact O-CB 3.27Å; K235-C238 PolarHBondContact O-N 3.29Å; K235-L239 HydrophobicContact CG-CD1 4.09Å; K235-L239 VanDerWaalsContact O-CG 3.32Å; K235-L239 WeakPolarHBondContact O-CG 3.49Å; K235-L239 PolarHBondContact O-N 2.9Å; K235-W250 HydrophobicContact CB-CB 4.3Å; K235-W250 HydrophobicContact CB-CD2 3.86Å; K235-W250 HydrophobicContact CB-CG 3.72Å; K235-W250 HydrophobicContact CD-CG 4.47Å; K235-W250 HydrophobicContact CG-CB 3.89Å; K235-W250 HydrophobicContact CG-CD2 4.41Å; K235-W250 HydrophobicContact CG-CG 3.75Å
236E96.5Very high93.1Very high139 Ų13962.9 Ų62.965%0.6534%0.343SS*.Hα-helixtrans-64-53.8-178.5-177.1-178.6173.900111.5S234 C238 L239 N240S234-E236 VanDerWaalsContact C-N 3.33Å; S234-E236 PolarHBondContact O-N 3.01Å; E236-C238 PolarHBondContact O-N 2.88Å; E236-L239 PolarHBondContact O-N 2.98Å; E236-N240 WeakPolarHBondContact O-CB 2.94Å; E236-N240 VanDerWaalsContact O-CG 3.31Å; E236-N240 PolarHBondContact O-N 3.08Å
237T96.6Very high93.1Very high59 Ų5964.7 Ų64.736%0.36235%0.347SS..Hα-helixtrans-63.9-27.5179.1590000112.7K232 S234 A241K232-T237 WeakPolarHBondContact CG-O 3.17Å; S234-T237 PolarHBondContact N-OG1 2.83Å; S234-T237 PolarHBondContact O-OG1 3.09Å; S234-T237 WeakPolarHBondContact OG-CB 3.47Å; S234-T237 WeakPolarHBondContact OG-CG2 3.36Å; S234-T237 PolarHBondContact OG-N 3.25Å; S234-T237 VanDerWaalsContact OG-N 3.13Å; S234-T237 PolarHBondContact OG-OG1 2.82Å; T237-A241 WeakPolarHBondContact O-CB 3.43Å; T237-A241 PolarHBondContact O-N 2.83Å
238C97.1Very high93.3Very high0 Ų060.1 Ų60.10%033%0.325CS..Hα-helixtrans-65.7-53173.1-179.80000112.3K232 S234 K235 E236 N240 A241 C248 H249 W250 C257K232-C238 HydrophobicContact CB-CB 4.23Å; S234-C238 WeakPolarHBondContact O-CB 3.43Å; S234-C238 PolarHBondContact O-N 2.94Å; K235-C238 WeakPolarHBondContact O-CB 3.27Å; K235-C238 PolarHBondContact O-N 3.29Å; E236-C238 PolarHBondContact O-N 2.88Å; C238-N240 VanDerWaalsContact C-N 3.34Å; C238-N240 PolarHBondContact O-N 3.02Å; C238-A241 WeakPolarHBondContact O-CB 3.08Å; C238-A241 PolarHBondContact O-N 3.21Å; C238-C248 WeakPolarHBondContact O-CB 3.4Å; C238-H249 PolarHBondContact SG-O 2.79Å; C238-W250 HydrophobicContact CB-CB 4.48Å; C238-W250 HydrophobicContact CB-CE3 3.8Å; C238-C257 WeakPolarHBondContact CA-SG 3.31Å; C238-C257 HydrophobicContact CB-CB 3.48Å; C238-C257 VanDerWaalsContact CB-CB 3.48Å; C238-C257 WeakPolarHBondContact CB-SG 3.42Å; C238-C257 VanDerWaalsContact SG-CA 3.58Å; C238-C257 WeakPolarHBondContact SG-CB 3.29Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.83Å
239L95.6Very high93.4Very high82 Ų8262.5 Ų62.543%0.42934%0.336SS..Hα-helixtrans-66.4-39-176.7-64.3175.5000111.3K235 E236 A241 S242K235-L239 HydrophobicContact CG-CD1 4.09Å; K235-L239 VanDerWaalsContact O-CG 3.32Å; K235-L239 WeakPolarHBondContact O-CG 3.49Å; K235-L239 PolarHBondContact O-N 2.9Å; E236-L239 PolarHBondContact O-N 2.98Å; L239-A241 PolarHBondContact O-N 2.65Å; L239-S242 WeakPolarHBondContact O-CB 3.3Å; L239-S242 PolarHBondContact O-N 3.22Å; L239-S242 PolarHBondContact O-OG 3.07Å
240N95.2Very high93.4Very high124 Ų12463.7 Ų63.766%0.66334%0.34SS*.Hα-helixtrans-66.4-19.6176.5-68-10.8000113.6E236 C238 S242E236-N240 WeakPolarHBondContact O-CB 2.94Å; E236-N240 VanDerWaalsContact O-CG 3.31Å; E236-N240 PolarHBondContact O-N 3.08Å; C238-N240 VanDerWaalsContact C-N 3.34Å; C238-N240 PolarHBondContact O-N 3.02Å; N240-S242 VanDerWaalsContact C-N 3.29Å
241A94.5Very high93.6Very high13 Ų1363.3 Ų63.311%0.10734%0.339CS..THydrogen-bonded Turntrans-81.4-8.2177.600000113.7K232 T237 C238 L239 K243K232-A241 HydrophobicContact CD-CB 4.21Å; K232-A241 HydrophobicContact CG-CB 3.76Å; T237-A241 WeakPolarHBondContact O-CB 3.43Å; T237-A241 PolarHBondContact O-N 2.83Å; C238-A241 WeakPolarHBondContact O-CB 3.08Å; C238-A241 PolarHBondContact O-N 3.21Å; L239-A241 PolarHBondContact O-N 2.65Å; A241-K243 PolarHBondContact O-N 2.95Å
242S93.8Very high93.6Very high47 Ų4764.1 Ų64.133%0.32935%0.35SS..  trans-60.6134.3179.5-56.20000110.9L239 N240 C248L239-S242 WeakPolarHBondContact O-CB 3.3Å; L239-S242 PolarHBondContact O-N 3.22Å; L239-S242 PolarHBondContact O-OG 3.07Å; N240-S242 VanDerWaalsContact C-N 3.29Å; S242-C248 WeakPolarHBondContact OG-CB 3.36Å; S242-C248 PolarHBondContact OG-N 2.9Å; S242-C248 VanDerWaalsContact OG-N 3.08Å; S242-C248 PolarHBondContact OG-O 2.86Å
243K88.3Confident93.5Very high59 Ų5966.5 Ų66.526%0.25737%0.367SS..BIsolated β-bridgetrans-114.8158.7174.8-54.9176.1-176.61700109.2D52 A241 D245 M246D52-K243 IonicContact OD2-NZ 3.26Å; D52-K243 PolarHBondContact OD2-NZ 2.88Å; D52-K243 VanDerWaalsContact OD2-NZ 3.16Å; A241-K243 PolarHBondContact O-N 2.95Å; K243-D245 VanDerWaalsContact CB-OD1 3.32Å; K243-D245 WeakPolarHBondContact CB-OD1 3.21Å; K243-D245 PolarHBondContact O-N 3.34Å; K243-D245 VanDerWaalsContact O-N 3.1Å; K243-M246 HydrophobicContact CB-CB 4.23Å; K243-M246 PolarHBondContact N-O 3.22Å; K243-M246 CarbonylContact O-C 3.51Å; K243-M246 PolarHBondContact O-N 2.78Å; K243-M246 VanDerWaalsContact O-O 3.13Å
244P84.1Confident93.4Very high147 Ų14761.6 Ų61.696%0.95534%0.341SS*.THydrogen-bonded Turntrans-54.6-30.7179.3-27.835.8000114.6
245D83.3Confident93.4Very high77 Ų7765.3 Ų65.341%0.41236%0.357SS..THydrogen-bonded Turntrans-97.3-1.4178.847.4-9.8000113.6K40 K243K40-D245 IonicContact NZ-OD1 3.83Å; K40-D245 IonicContact NZ-OD2 3.91Å; K40-D245 PolarHBondContact NZ-OD2 2.85Å; K243-D245 VanDerWaalsContact CB-OD1 3.32Å; K243-D245 WeakPolarHBondContact CB-OD1 3.21Å; K243-D245 PolarHBondContact O-N 3.34Å; K243-D245 VanDerWaalsContact O-N 3.1Å
246M85.4Confident93.4Very high26 Ų2661.5 Ų61.513%0.12834%0.342CS..BIsolated β-bridgetrans-155.589.3-172.5-172.564.368.200111.4Y38 Y54 K243 N259Y38-M246 HydrophobicContact CD2-CE 3.24Å; Y38-M246 HydrophobicContact CE2-CE 3.5Å; Y38-M246 HydrophobicContact CG-CE 4.07Å; Y54-M246 HydrophobicContact CD2-CE 3.49Å; Y54-M246 VanDerWaalsContact CD2-CE 3.49Å; Y54-M246 HydrophobicContact CD2-CG 3.99Å; Y54-M246 HydrophobicContact CD2-SD 3.97Å; Y54-M246 HydrophobicContact CE2-CE 3.75Å; Y54-M246 HydrophobicContact CE2-CG 3.56Å; Y54-M246 HydrophobicContact CE2-SD 3.55Å; Y54-M246 VanDerWaalsContact CE2-SD 3.55Å; Y54-M246 HydrophobicContact CG-CE 4.24Å; K243-M246 HydrophobicContact CB-CB 4.23Å; K243-M246 PolarHBondContact N-O 3.22Å; K243-M246 CarbonylContact O-C 3.51Å; K243-M246 PolarHBondContact O-N 2.78Å; K243-M246 VanDerWaalsContact O-O 3.13Å; M246-N259 HydrophobicContact CG-CB 4.36Å; M246-N259 HydrophobicContact SD-CB 3.41Å; M246-N259 WeakPolarHBondContact SD-CB 3.39Å; M246-N259 PolarHBondContact SD-ND2 2.56Å
247E91.9Very high93.4Very high115 Ų11555 Ų5554%0.53731%0.311SS..  trans-76.6126.2177.2-164.6177173.700110.9H249 N259E247-H249 IonicContact OE1-CE1 3.53Å; E247-H249 PolarHBondContact OE1-CE1 2.74Å; E247-H249 VanDerWaalsContact OE1-CE1 3.23Å; E247-H249 IonicContact OE1-ND1 3.92Å; E247-H249 IonicContact OE2-CE1 3.92Å; E247-N259 WeakPolarHBondContact O-CA 3.26Å
248C95.9Very high93.4Very high1 Ų152.1 Ų52.11%0.00729%0.294CS..  trans-95.6138175.6-61.20000110.1C229 C238 S242C229-C248 VanDerWaalsContact CA-SG 3.52Å; C229-C248 HydrophobicContact CB-CB 3.7Å; C229-C248 WeakPolarHBondContact CB-SG 3.47Å; C229-C248 WeakPolarHBondContact SG-CA 3.22Å; C229-C248 WeakPolarHBondContact SG-CB 3.21Å; C229-C248 CovalentContact SG-SG 2.03Å; C229-C248 PolarHBondContact SG-SG 2.88Å; C238-C248 WeakPolarHBondContact O-CB 3.4Å; S242-C248 WeakPolarHBondContact OG-CB 3.36Å; S242-C248 PolarHBondContact OG-N 2.9Å; S242-C248 VanDerWaalsContact OG-N 3.08Å; S242-C248 PolarHBondContact OG-O 2.86Å
249H96.4Very high93.2Very high53 Ų5353.5 Ų53.525%0.24530%0.301CS..EExtended strand (participates in β ladder)trans-128.3139.2179.4-59.2-69000111.3C238 E247 S258 W268 N277C238-H249 PolarHBondContact SG-O 2.79Å; E247-H249 IonicContact OE1-CE1 3.53Å; E247-H249 PolarHBondContact OE1-CE1 2.74Å; E247-H249 VanDerWaalsContact OE1-CE1 3.23Å; E247-H249 IonicContact OE1-ND1 3.92Å; E247-H249 IonicContact OE2-CE1 3.92Å; H249-S258 PolarHBondContact N-O 2.86Å; H249-S258 PolarHBondContact O-N 3.37Å; H249-W268 HydrophobicContact CB-CH2 3.41Å; H249-W268 VanDerWaalsContact CB-CH2 3.41Å; H249-W268 HydrophobicContact CB-CZ2 4.12Å; H249-W268 HydrophobicContact CB-CZ3 4.25Å; H249-W268 WeakPolarHBondContact O-CZ3 3.48Å; H249-N277 WeakPolarHBondContact CB-ND2 3.42Å
250W96.9Very high93Very high24 Ų2450 Ų509%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-90.7127.1176.6-177-103.8000111.2V233 S234 K235 C238 N255 C257 N277V233-W250 WeakPolarHBondContact O-CH2 3.26Å; S234-W250 WeakPolarHBondContact O-CZ3 3.44Å; K235-W250 HydrophobicContact CB-CB 4.3Å; K235-W250 HydrophobicContact CB-CD2 3.86Å; K235-W250 HydrophobicContact CB-CG 3.72Å; K235-W250 HydrophobicContact CD-CG 4.47Å; K235-W250 HydrophobicContact CG-CB 3.89Å; K235-W250 HydrophobicContact CG-CD2 4.41Å; K235-W250 HydrophobicContact CG-CG 3.75Å; C238-W250 HydrophobicContact CB-CB 4.48Å; C238-W250 HydrophobicContact CB-CE3 3.8Å; W250-N255 WeakPolarHBondContact CZ2-OD1 3.23Å; W250-C257 HydrophobicContact CE3-CB 3.95Å; W250-C257 HydrophobicContact CZ3-CB 4.16Å; W250-N277 PolarHBondContact O-OD1 2.86Å; W250-N277 VanDerWaalsContact O-OD1 3.05Å
251C96.5Very high92.8Very high1 Ų151.1 Ų51.11%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-101.9102173-174.50000111.5T253 A254 N255 L256 W268 C273C251-T253 VanDerWaalsContact C-N 3.31Å; C251-T253 PolarHBondContact O-N 2.85Å; C251-T253 PolarHBondContact SG-OG1 2.89Å; C251-A254 HydrophobicContact CB-CB 4.21Å; C251-A254 PolarHBondContact O-N 3.25Å; C251-N255 WeakPolarHBondContact O-CA 3.41Å; C251-N255 PolarHBondContact O-N 3.21Å; C251-L256 HydrophobicContact CB-CD1 4.43Å; C251-L256 PolarHBondContact N-O 2.82Å; C251-L256 PolarHBondContact O-N 3.28Å; C251-W268 HydrophobicContact CB-CE3 3.92Å; C251-W268 HydrophobicContact CB-CH2 4.34Å; C251-W268 HydrophobicContact CB-CZ3 3.61Å; C251-C273 HydrophobicContact CB-CB 3.57Å; C251-C273 WeakPolarHBondContact CB-SG 3.38Å; C251-C273 WeakPolarHBondContact SG-CB 3.28Å; C251-C273 CovalentContact SG-SG 2.01Å; C251-C273 PolarHBondContact SG-SG 3.17Å
252S94.8Very high92.8Very high74 Ų7450.5 Ų50.552%0.51728%0.275SS..THydrogen-bonded Turntrans-63.8-32.3-179.8-57.50000113.9A254S252-A254 VanDerWaalsContact C-N 3.34Å
253T93.3Very high92.8Very high81 Ų8148.6 Ų48.650%0.49726%0.261SS..THydrogen-bonded Turntrans-70.5-30.7178.641.80000112.8C251 N271 N276C251-T253 VanDerWaalsContact C-N 3.31Å; C251-T253 PolarHBondContact O-N 2.85Å; C251-T253 PolarHBondContact SG-OG1 2.89Å; T253-N271 PolarHBondContact OG1-O 3.27Å; T253-N271 VanDerWaalsContact OG1-O 3.08Å; T253-N276 WeakPolarHBondContact CG2-ND2 3.29Å; T253-N276 PolarHBondContact OG1-ND2 2.88Å
254A93.9Very high93.1Very high27 Ų2749.5 Ų49.522%0.22326%0.263CS..THydrogen-bonded Turntrans-102.2-8.1179.700000113.8C251 S252 L256 N271C251-A254 HydrophobicContact CB-CB 4.21Å; C251-A254 PolarHBondContact O-N 3.25Å; S252-A254 VanDerWaalsContact C-N 3.34Å; A254-L256 VanDerWaalsContact C-N 3.33Å; A254-L256 HydrophobicContact CB-CD2 3.62Å; A254-L256 HydrophobicContact CB-CG 3.78Å; A254-L256 PolarHBondContact O-N 2.81Å; A254-N271 HydrophobicContact CB-CB 3.78Å
255N95.5Very high93.5Very high119 Ų11942.5 Ų42.564%0.63622%0.218SC*.THydrogen-bonded Turntrans51.546.8-174-162.646.4000113.4W250 C251W250-N255 WeakPolarHBondContact CZ2-OD1 3.23Å; C251-N255 WeakPolarHBondContact O-CA 3.41Å; C251-N255 PolarHBondContact O-N 3.21Å
256L95.8Very high93.8Very high23 Ų2343.1 Ų43.112%0.1222%0.217CC..EExtended strand (participates in β ladder)trans-141.5156.2-179.167.584000112.3C251 A254 R264 A267 W268C251-L256 HydrophobicContact CB-CD1 4.43Å; C251-L256 PolarHBondContact N-O 2.82Å; C251-L256 PolarHBondContact O-N 3.28Å; A254-L256 VanDerWaalsContact C-N 3.33Å; A254-L256 HydrophobicContact CB-CD2 3.62Å; A254-L256 HydrophobicContact CB-CG 3.78Å; A254-L256 PolarHBondContact O-N 2.81Å; L256-R264 HydrophobicContact CD1-CB 3.96Å; L256-R264 HydrophobicContact CD1-CG 4.46Å; L256-R264 HydrophobicContact CD2-CB 4.37Å; L256-A267 HydrophobicContact CD2-CB 3.64Å; L256-W268 HydrophobicContact CD1-CE3 3.89Å; L256-W268 HydrophobicContact CD1-CZ3 4.4Å
257C97.1Very high94.1Very high2 Ų243.6 Ų43.61%0.01423%0.225CC..EExtended strand (participates in β ladder)trans-100.1141.6169.7-173.10000110.4C229 K232 C238 W250C229-C257 WeakPolarHBondContact O-CB 3.39Å; C229-C257 PolarHBondContact O-SG 2.81Å; K232-C257 HydrophobicContact CB-CB 3.98Å; K232-C257 WeakPolarHBondContact O-CB 3.34Å; C238-C257 WeakPolarHBondContact CA-SG 3.31Å; C238-C257 HydrophobicContact CB-CB 3.48Å; C238-C257 VanDerWaalsContact CB-CB 3.48Å; C238-C257 WeakPolarHBondContact CB-SG 3.42Å; C238-C257 VanDerWaalsContact SG-CA 3.58Å; C238-C257 WeakPolarHBondContact SG-CB 3.29Å; C238-C257 CovalentContact SG-SG 2.02Å; C238-C257 PolarHBondContact SG-SG 2.83Å; W250-C257 HydrophobicContact CE3-CB 3.95Å; W250-C257 HydrophobicContact CZ3-CB 4.16Å
258S96Very high94.1Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-159155.3177.5-178.60000111H249 G260 D262 W268H249-S258 PolarHBondContact N-O 2.86Å; H249-S258 PolarHBondContact O-N 3.37Å; S258-G260 PolarHBondContact OG-N 2.83Å; S258-D262 WeakPolarHBondContact CA-OD2 3.22Å; S258-D262 PolarHBondContact OG-OD1 3.28Å; S258-D262 PolarHBondContact OG-OD2 3.04Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å
259N93.4Very high93.9Very high29 Ų2940.3 Ų40.316%0.15521%0.209CC..  trans-81.95.4163.769.20.1000112.5Y54 M246 E247 R261 D262Y54-N259 VanDerWaalsContact CZ-ND2 3.31Å; Y54-N259 PolarHBondContact OH-ND2 2.82Å; M246-N259 HydrophobicContact CG-CB 4.36Å; M246-N259 HydrophobicContact SD-CB 3.41Å; M246-N259 WeakPolarHBondContact SD-CB 3.39Å; M246-N259 PolarHBondContact SD-ND2 2.56Å; E247-N259 WeakPolarHBondContact O-CA 3.26Å; N259-R261 VanDerWaalsContact C-N 3.26Å; N259-R261 PolarHBondContact O-N 3.23Å; N259-R261 WeakPolarHBondContact OD1-CA 3.45Å; N259-R261 PolarHBondContact OD1-N 2.95Å; N259-D262 PolarHBondContact N-OD2 3.24Å; N259-D262 VanDerWaalsContact OD1-CB 3.25Å; N259-D262 WeakPolarHBondContact OD1-CB 3.35Å; N259-D262 VanDerWaalsContact OD1-CG 3.29Å; N259-D262 PolarHBondContact OD1-N 2.86Å; N259-D262 PolarHBondContact OD1-OD2 3.35Å
260G91.3Very high93.5Very high8 Ų841.8 Ų41.88%0.08222%0.218CC..SBendtrans82.8-15.3-17700000115.1H32 S258H32-G260 PolarHBondContact CE1-O 3.22Å; S258-G260 PolarHBondContact OG-N 2.83Å
261R91.4Very high93.2Very high148 Ų14843.4 Ų43.456%0.55823%0.228SC*.SBendtrans-127.25.8-178.8-70.9-169-65.1-177.1-0.9115V36 Y204 N259 S265V36-R261 HydrophobicContact CG2-CB 4.27Å; Y204-R261 WeakPolarHBondContact CE2-O 3.45Å; N259-R261 VanDerWaalsContact C-N 3.26Å; N259-R261 PolarHBondContact O-N 3.23Å; N259-R261 WeakPolarHBondContact OD1-CA 3.45Å; N259-R261 PolarHBondContact OD1-N 2.95Å; R261-S265 WeakPolarHBondContact CA-OG 3.44Å; R261-S265 PolarHBondContact O-OG 3.38Å
262D94.1Very high92.8Very high0 Ų046.7 Ų46.70%025%0.246CC..SBendtrans-80.9-170.3179.258.235000114.1Y54 Y190 Y204 F230 S258 N259 R264 S265Y54-D262 HydrophobicContact CD1-CB 4.44Å; Y54-D262 HydrophobicContact CE1-CB 3.36Å; Y54-D262 WeakPolarHBondContact OH-CB 3.45Å; Y54-D262 PolarHBondContact OH-OD2 2.81Å; Y190-D262 PolarHBondContact OH-O 2.82Å; Y204-D262 WeakPolarHBondContact OH-CA 3.32Å; F230-D262 HydrophobicContact CB-CB 4.28Å; S258-D262 WeakPolarHBondContact CA-OD2 3.22Å; S258-D262 PolarHBondContact OG-OD1 3.28Å; S258-D262 PolarHBondContact OG-OD2 3.04Å; N259-D262 PolarHBondContact N-OD2 3.24Å; N259-D262 VanDerWaalsContact OD1-CB 3.25Å; N259-D262 WeakPolarHBondContact OD1-CB 3.35Å; N259-D262 VanDerWaalsContact OD1-CG 3.29Å; N259-D262 PolarHBondContact OD1-N 2.86Å; N259-D262 PolarHBondContact OD1-OD2 3.35Å; D262-R264 PolarHBondContact O-N 2.94Å; D262-R264 WeakPolarHBondContact OD1-CA 3.44Å; D262-R264 VanDerWaalsContact OD1-CB 3.23Å; D262-R264 WeakPolarHBondContact OD1-CB 2.96Å; D262-R264 PolarHBondContact OD1-N 3.24Å; D262-S265 PolarHBondContact N-OG 3.21Å; D262-S265 VanDerWaalsContact O-CB 3.25Å; D262-S265 WeakPolarHBondContact O-CB 3.32Å; D262-S265 PolarHBondContact O-N 3.37Å; D262-S265 PolarHBondContact O-OG 3.35Å
263T94Very high92.7Very high7 Ų743.2 Ų43.24%0.04322%0.222CC..THydrogen-bonded Turntrans-61.1-6176.965.70000115E55 Y92 Y188 Y190 Y204E55-T263 HydrophobicContact CG-CG2 4.27Å; Y92-T263 HydrophobicContact CD1-CG2 4.19Å; Y92-T263 PolarHBondContact O-OG1 3.41Å; Y188-T263 HydrophobicContact CD1-CG2 4.24Å; Y188-T263 HydrophobicContact CD2-CG2 4.37Å; Y188-T263 HydrophobicContact CE1-CG2 4.49Å; Y188-T263 HydrophobicContact CG-CG2 4.19Å; Y190-T263 WeakPolarHBondContact OH-CA 3.38Å; Y190-T263 PolarHBondContact OH-O 3.18Å; Y204-T263 HydrophobicContact CD1-CG2 4.33Å; Y204-T263 HydrophobicContact CE1-CG2 3.88Å
264R93.4Very high92.4Very high78 Ų7842.7 Ų42.729%0.29422%0.221SC..THydrogen-bonded Turntrans-95.51.3169.7-53.1-62.6-174.7-177.7-3.7113.9F230 L256 D262 K266 A267 W268F230-R264 HydrophobicContact CB-CG 3.98Å; L256-R264 HydrophobicContact CD1-CB 3.96Å; L256-R264 HydrophobicContact CD1-CG 4.46Å; L256-R264 HydrophobicContact CD2-CB 4.37Å; D262-R264 PolarHBondContact O-N 2.94Å; D262-R264 WeakPolarHBondContact OD1-CA 3.44Å; D262-R264 VanDerWaalsContact OD1-CB 3.23Å; D262-R264 WeakPolarHBondContact OD1-CB 2.96Å; D262-R264 PolarHBondContact OD1-N 3.24Å; R264-K266 VanDerWaalsContact C-N 3.3Å; R264-K266 PolarHBondContact O-N 3.07Å; R264-K266 VanDerWaalsContact O-N 3.15Å; R264-A267 PolarHBondContact O-N 2.8Å; R264-W268 WeakPolarHBondContact O-CB 3.43Å; R264-W268 PolarHBondContact O-N 2.89Å
265S92.4Very high91.8Very high0 Ų047.8 Ų47.80%024%0.239CC..Hα-helixtrans-49.1-43.3-177.1-66.30000114.7Y190 R261 D262 W268 M269Y190-S265 WeakPolarHBondContact OH-CB 2.8Å; Y190-S265 PolarHBondContact OH-N 3.06Å; Y190-S265 VanDerWaalsContact OH-N 3.14Å; R261-S265 WeakPolarHBondContact CA-OG 3.44Å; R261-S265 PolarHBondContact O-OG 3.38Å; D262-S265 PolarHBondContact N-OG 3.21Å; D262-S265 VanDerWaalsContact O-CB 3.25Å; D262-S265 WeakPolarHBondContact O-CB 3.32Å; D262-S265 PolarHBondContact O-N 3.37Å; D262-S265 PolarHBondContact O-OG 3.35Å; S265-W268 WeakPolarHBondContact O-CB 3.43Å; S265-W268 PolarHBondContact O-N 2.66Å; S265-M269 WeakPolarHBondContact O-CB 3.39Å; S265-M269 PolarHBondContact O-N 3.43Å
266K91.2Very high90.8Very high90 Ų9044.2 Ų44.239%0.39122%0.219SC..Hα-helixtrans-62.3-47.6179.2-178.3175.9179177.10111.6F28 Y190 R264 W268 M269 I270F28-K266 HydrophobicContact CB-CG 4.35Å; F28-K266 HydrophobicContact CD1-CB 4.43Å; F28-K266 HydrophobicContact CD2-CB 4.17Å; F28-K266 HydrophobicContact CD2-CG 4.48Å; F28-K266 HydrophobicContact CE2-CB 4.26Å; F28-K266 HydrophobicContact CG-CB 4.25Å; F28-K266 HydrophobicContact CG-CG 4.22Å; F28-K266 HydrophobicContact CZ-CB 4.42Å; Y190-K266 HydrophobicContact CE1-CB 4.28Å; R264-K266 VanDerWaalsContact C-N 3.3Å; R264-K266 PolarHBondContact O-N 3.07Å; R264-K266 VanDerWaalsContact O-N 3.15Å; K266-W268 VanDerWaalsContact C-N 3.33Å; K266-M269 PolarHBondContact O-N 2.94Å; K266-I270 HydrophobicContact CG-CD1 3.85Å; K266-I270 WeakPolarHBondContact O-CB 3.45Å; K266-I270 VanDerWaalsContact O-CG1 3.27Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.85Å; K266-I270 VanDerWaalsContact O-N 3.08Å
267A91.9Very high89.6Confident36 Ų3644.2 Ų44.230%0.29822%0.219SC..Hα-helixtrans-66.8-37.6176.800000111.3L256 R264 N271L256-A267 HydrophobicContact CD2-CB 3.64Å; R264-A267 PolarHBondContact O-N 2.8Å; A267-N271 WeakPolarHBondContact O-CB 3.32Å; A267-N271 PolarHBondContact O-N 2.98Å; A267-N271 PolarHBondContact O-ND2 2.68Å
268W91.9Very high88.2Confident6 Ų650.3 Ų50.32%0.02325%0.249CC..Hα-helixtrans-56.3-49.2174.5-176.5-94.1000112.4H249 C251 L256 S258 R264 S265 K266 N272 C273 S274 N277H249-W268 HydrophobicContact CB-CH2 3.41Å; H249-W268 VanDerWaalsContact CB-CH2 3.41Å; H249-W268 HydrophobicContact CB-CZ2 4.12Å; H249-W268 HydrophobicContact CB-CZ3 4.25Å; H249-W268 WeakPolarHBondContact O-CZ3 3.48Å; C251-W268 HydrophobicContact CB-CE3 3.92Å; C251-W268 HydrophobicContact CB-CH2 4.34Å; C251-W268 HydrophobicContact CB-CZ3 3.61Å; L256-W268 HydrophobicContact CD1-CE3 3.89Å; L256-W268 HydrophobicContact CD1-CZ3 4.4Å; S258-W268 VanDerWaalsContact CB-CE3 3.48Å; R264-W268 WeakPolarHBondContact O-CB 3.43Å; R264-W268 PolarHBondContact O-N 2.89Å; S265-W268 WeakPolarHBondContact O-CB 3.43Å; S265-W268 PolarHBondContact O-N 2.66Å; K266-W268 VanDerWaalsContact C-N 3.33Å; W268-N272 PolarHBondContact O-N 3.06Å; W268-C273 HydrophobicContact CD2-CB 3.35Å; W268-C273 HydrophobicContact CE3-CB 3.56Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.83Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 3.82Å; W268-C273 WeakPolarHBondContact O-CB 3.35Å; W268-C273 PolarHBondContact O-N 2.88Å; W268-C273 VanDerWaalsContact O-N 3.16Å; W268-C273 PolarHBondContact O-SG 2.95Å; W268-S274 PolarHBondContact NE1-OG 3.44Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.47Å
269M90Very high86.6Confident41 Ų4155.3 Ų55.320%0.20227%0.273CS..Hα-helixtrans-71.6-46.8-176.7-165.5-165.969.800112.1C26 F28 S265 K266 N271 N272C26-M269 WeakPolarHBondContact O-CE 3.34Å; F28-M269 VanDerWaalsContact CA-CE 3.42Å; F28-M269 HydrophobicContact CB-CE 3.71Å; F28-M269 HydrophobicContact CD2-CE 3.86Å; F28-M269 HydrophobicContact CD2-SD 3.94Å; F28-M269 HydrophobicContact CG-CE 4.3Å; S265-M269 WeakPolarHBondContact O-CB 3.39Å; S265-M269 PolarHBondContact O-N 3.43Å; K266-M269 PolarHBondContact O-N 2.94Å; M269-N271 PolarHBondContact O-N 2.83Å; M269-N272 PolarHBondContact O-N 3.21Å
270I88.9Confident85.1Confident84 Ų8456.3 Ų56.343%0.43128%0.278SS..Hα-helixtrans-57.8-36.6179.1-70.7169.8000111.5K266 N272K266-I270 HydrophobicContact CG-CD1 3.85Å; K266-I270 WeakPolarHBondContact O-CB 3.45Å; K266-I270 VanDerWaalsContact O-CG1 3.27Å; K266-I270 WeakPolarHBondContact O-CG1 3.44Å; K266-I270 PolarHBondContact O-N 2.85Å; K266-I270 VanDerWaalsContact O-N 3.08Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 2.88Å
271N90Very high83.5Confident57 Ų5760.8 Ų60.831%0.30530%0.298SS..THydrogen-bonded Turntrans-88.59.8-178.9-72.2-77.9000114.2T253 A254 A267 M269 C273T253-N271 PolarHBondContact OG1-O 3.27Å; T253-N271 VanDerWaalsContact OG1-O 3.08Å; A254-N271 HydrophobicContact CB-CB 3.78Å; A267-N271 WeakPolarHBondContact O-CB 3.32Å; A267-N271 PolarHBondContact O-N 2.98Å; A267-N271 PolarHBondContact O-ND2 2.68Å; M269-N271 PolarHBondContact O-N 2.83Å; N271-C273 PolarHBondContact O-N 3.01Å
272N88.7Confident82Confident70 Ų7059.7 Ų59.737%0.37430%0.299SS..THydrogen-bonded Turntrans52.235.9179.2-71.7-80.2000113.8W268 M269 I270 S274 K275 N276W268-N272 PolarHBondContact O-N 3.06Å; M269-N272 PolarHBondContact O-N 3.21Å; I270-N272 VanDerWaalsContact C-N 3.31Å; I270-N272 PolarHBondContact O-N 2.88Å; N272-S274 PolarHBondContact O-N 2.96Å; N272-K275 PolarHBondContact O-N 3.22Å; N272-N276 PolarHBondContact O-N 2.9Å
273C92.3Very high80.2Confident1 Ų165.9 Ų65.91%0.00733%0.326CS..Hα-helixtrans-60.7-39-171.4-61.70000113.4C251 W268 N271 K275 N276 N277C251-C273 HydrophobicContact CB-CB 3.57Å; C251-C273 WeakPolarHBondContact CB-SG 3.38Å; C251-C273 WeakPolarHBondContact SG-CB 3.28Å; C251-C273 CovalentContact SG-SG 2.01Å; C251-C273 PolarHBondContact SG-SG 3.17Å; W268-C273 HydrophobicContact CD2-CB 3.35Å; W268-C273 HydrophobicContact CE3-CB 3.56Å; W268-C273 HydrophobicContact CG-CB 3.89Å; W268-C273 HydrophobicContact CH2-CB 3.83Å; W268-C273 HydrophobicContact CZ2-CB 3.65Å; W268-C273 HydrophobicContact CZ3-CB 3.82Å; W268-C273 WeakPolarHBondContact O-CB 3.35Å; W268-C273 PolarHBondContact O-N 2.88Å; W268-C273 VanDerWaalsContact O-N 3.16Å; W268-C273 PolarHBondContact O-SG 2.95Å; N271-C273 PolarHBondContact O-N 3.01Å; C273-K275 VanDerWaalsContact C-N 3.32Å; C273-K275 PolarHBondContact O-N 2.84Å; C273-N276 PolarHBondContact O-N 2.87Å; C273-N277 PolarHBondContact O-N 2.97Å
274S87.6Confident78.6Confident70 Ų7069.3 Ų69.349%0.4934%0.344SS..Hα-helixtrans-58.6-40.4178.4-50.70000112.9W268 N272 M278W268-S274 PolarHBondContact NE1-OG 3.44Å; N272-S274 PolarHBondContact O-N 2.96Å; S274-M278 PolarHBondContact O-N 2.84Å
275K80.8Confident76.5Confident135 Ų13572.4 Ų72.459%0.58736%0.36SS*.Hα-helixtrans-71.5-41.3179.3-68.3179-179.3169.90111.7N272 C273 N277 M278 Q279N272-K275 PolarHBondContact O-N 3.22Å; C273-K275 VanDerWaalsContact C-N 3.32Å; C273-K275 PolarHBondContact O-N 2.84Å; K275-N277 VanDerWaalsContact C-N 3.28Å; K275-N277 PolarHBondContact O-N 2.8Å; K275-M278 PolarHBondContact O-N 3.5Å; K275-Q279 WeakPolarHBondContact O-CG 3.48Å; K275-Q279 PolarHBondContact O-N 3.3Å; K275-Q279 VanDerWaalsContact O-N 3.14Å
276N74.8Confident74.3Confident43 Ų4379.8 Ų79.823%0.2339%0.392CS..Hα-helixtrans-65.2-35179.7-67-16.1000111.5T253 N272 C273 Q279 N280T253-N276 WeakPolarHBondContact CG2-ND2 3.29Å; T253-N276 PolarHBondContact OG1-ND2 2.88Å; N272-N276 PolarHBondContact O-N 2.9Å; C273-N276 PolarHBondContact O-N 2.87Å; N276-Q279 PolarHBondContact O-N 2.9Å; N276-N280 WeakPolarHBondContact O-CB 3.42Å; N276-N280 VanDerWaalsContact O-CG 3.27Å; N276-N280 PolarHBondContact O-N 2.84Å; N276-N280 PolarHBondContact O-ND2 3.32Å
277N70.6Confident72.1Confident23 Ų2378 Ų7812%0.12339%0.391CS..Hα-helixtrans-68.5-42.1176.1-72.2-11.4000112.7H249 W250 W268 C273 K275 Q279 N280 M281H249-N277 WeakPolarHBondContact CB-ND2 3.42Å; W250-N277 PolarHBondContact O-OD1 2.86Å; W250-N277 VanDerWaalsContact O-OD1 3.05Å; W268-N277 WeakPolarHBondContact CH2-ND2 3.47Å; C273-N277 PolarHBondContact O-N 2.97Å; K275-N277 VanDerWaalsContact C-N 3.28Å; K275-N277 PolarHBondContact O-N 2.8Å; N277-Q279 VanDerWaalsContact C-N 3.25Å; N277-Q279 PolarHBondContact O-N 3.27Å; N277-N280 PolarHBondContact O-N 2.86Å; N277-M281 WeakPolarHBondContact O-CG 3.35Å; N277-M281 PolarHBondContact O-N 2.86Å
278M66.5Low69.6Low130 Ų13081.5 Ų81.564%0.6440%0.404SS*.Hα-helixtrans-58.9-39172.8-68.5179.270.200112S274 K275 Q282S274-M278 PolarHBondContact O-N 2.84Å; K275-M278 PolarHBondContact O-N 3.5Å; M278-Q282 WeakPolarHBondContact O-CG 3.26Å; M278-Q282 PolarHBondContact O-N 3.47Å
279Q64.4Low67.2Low106 Ų10687.7 Ų87.750%0.49543%0.434SS..Hα-helixtrans-69.9-38.3176.5-69.7179.80.900112.8K275 N276 N277 Q282 K283K275-Q279 WeakPolarHBondContact O-CG 3.48Å; K275-Q279 PolarHBondContact O-N 3.3Å; K275-Q279 VanDerWaalsContact O-N 3.14Å; N276-Q279 PolarHBondContact O-N 2.9Å; N277-Q279 VanDerWaalsContact C-N 3.25Å; N277-Q279 PolarHBondContact O-N 3.27Å; Q279-Q282 PolarHBondContact O-N 3.01Å; Q279-K283 WeakPolarHBondContact O-CG 3.43Å; Q279-K283 PolarHBondContact O-N 2.86Å; Q279-K283 VanDerWaalsContact O-N 3.14Å
280N60.7Low64.6Low50 Ų5094 Ų9427%0.26746%0.46SS..Hα-helixtrans-69.4-42.1177.4-72.9-17.2000111.6N276 N277 Q282 K283 D284N276-N280 WeakPolarHBondContact O-CB 3.42Å; N276-N280 VanDerWaalsContact O-CG 3.27Å; N276-N280 PolarHBondContact O-N 2.84Å; N276-N280 PolarHBondContact O-ND2 3.32Å; N277-N280 PolarHBondContact O-N 2.86Å; N280-Q282 PolarHBondContact O-N 2.73Å; N280-K283 CarbonylContact O-C 3.55Å; N280-K283 WeakPolarHBondContact O-CA 3.36Å; N280-K283 WeakPolarHBondContact O-CB 3.46Å; N280-K283 PolarHBondContact O-N 3.19Å; N280-D284 PolarHBondContact O-N 2.99Å
281M58.1Low62.1Low102 Ų10296.6 Ų96.650%0.50247%0.474SS..Hα-helixtrans-60.1-33.3173.8-68.3178.591.800112.3N277 K285N277-M281 WeakPolarHBondContact O-CG 3.35Å; N277-M281 PolarHBondContact O-N 2.86Å; M281-K285 VanDerWaalsContact O-CB 3.31Å; M281-K285 WeakPolarHBondContact O-CB 3.33Å; M281-K285 VanDerWaalsContact O-CG 3.25Å; M281-K285 WeakPolarHBondContact O-CG 3.32Å; M281-K285 PolarHBondContact O-N 2.9Å
282Q59.1Low59.3Low124 Ų124102.4 Ų102.458%0.57950%0.497SS*.Hα-helixtrans-71.3-28.6172.5-74.6179.2-9.400113.3M278 Q279 N280 K286M278-Q282 WeakPolarHBondContact O-CG 3.26Å; M278-Q282 PolarHBondContact O-N 3.47Å; Q279-Q282 PolarHBondContact O-N 3.01Å; N280-Q282 PolarHBondContact O-N 2.73Å; Q282-K286 WeakPolarHBondContact O-CB 3.34Å; Q282-K286 VanDerWaalsContact O-CG 3.29Å; Q282-K286 WeakPolarHBondContact O-CG 3.11Å; Q282-K286 PolarHBondContact O-N 2.98Å
283K56.7Low56.4Low131 Ų131108 Ų10857%0.5752%0.518SS*.Hα-helixtrans-76.3-43.3174.2-72.4175.9-177.5173.90111.3Q279 N280 K286 S287Q279-K283 WeakPolarHBondContact O-CG 3.43Å; Q279-K283 PolarHBondContact O-N 2.86Å; Q279-K283 VanDerWaalsContact O-N 3.14Å; N280-K283 CarbonylContact O-C 3.55Å; N280-K283 WeakPolarHBondContact O-CA 3.36Å; N280-K283 WeakPolarHBondContact O-CB 3.46Å; N280-K283 PolarHBondContact O-N 3.19Å; K283-K286 CarbonylContact O-C 3.51Å; K283-K286 WeakPolarHBondContact O-CA 3.31Å; K283-K286 WeakPolarHBondContact O-CB 3.42Å; K283-K286 PolarHBondContact O-N 3.27Å; K283-S287 PolarHBondContact O-N 2.98Å
284D59.8Low53.5Low79 Ų79112.6 Ų112.642%0.42255%0.55SS.*Hα-helixtrans-66.7-41.7178.7-62.8-18.1000110.4N280 K286 S287 D288N280-D284 PolarHBondContact O-N 2.99Å; D284-K286 PolarHBondContact O-N 3.43Å; D284-S287 PolarHBondContact O-N 2.73Å; D284-S287 PolarHBondContact O-OG 3.41Å; D284-D288 PolarHBondContact O-N 3.31Å
285K50.5Low50.7Low143 Ų143118 Ų11862%0.62257%0.568SS**Hα-helixtrans-61.1-28.8170-75.4-178.1-179-173.40113.4M281 H289M281-K285 VanDerWaalsContact O-CB 3.31Å; M281-K285 WeakPolarHBondContact O-CB 3.33Å; M281-K285 VanDerWaalsContact O-CG 3.25Å; M281-K285 WeakPolarHBondContact O-CG 3.32Å; M281-K285 PolarHBondContact O-N 2.9Å; K285-H289 PolarHBondContact O-N 2.89Å
286K45.7Very low48.1Very low154 Ų154120.6 Ų120.667%0.6758%0.581SS**Hα-helixtrans-79.8-26.4174.7-81.1178.5-178.5179.80112.7Q282 K283 D284 K290Q282-K286 WeakPolarHBondContact O-CB 3.34Å; Q282-K286 VanDerWaalsContact O-CG 3.29Å; Q282-K286 WeakPolarHBondContact O-CG 3.11Å; Q282-K286 PolarHBondContact O-N 2.98Å; K283-K286 CarbonylContact O-C 3.51Å; K283-K286 WeakPolarHBondContact O-CA 3.31Å; K283-K286 WeakPolarHBondContact O-CB 3.42Å; K283-K286 PolarHBondContact O-N 3.27Å; D284-K286 PolarHBondContact O-N 3.43Å; K286-K290 WeakPolarHBondContact O-CG 3.38Å; K286-K290 PolarHBondContact O-N 2.63Å
287S46Very low45.7Very low53 Ų53126.5 Ų126.537%0.37161%0.61SS.*Hα-helixtrans-74.9-42.4170.660.60000111K283 D284 H289 K290 D291K283-S287 PolarHBondContact O-N 2.98Å; D284-S287 PolarHBondContact O-N 2.73Å; D284-S287 PolarHBondContact O-OG 3.41Å; S287-H289 VanDerWaalsContact C-N 3.27Å; S287-H289 PolarHBondContact O-N 2.94Å; S287-K290 WeakPolarHBondContact O-CA 3.39Å; S287-K290 WeakPolarHBondContact O-CB 3.43Å; S287-K290 PolarHBondContact O-N 2.87Å; S287-D291 PolarHBondContact O-N 3.23Å; S287-D291 VanDerWaalsContact O-N 3.14Å
288D39.5Very low43.6Very low109 Ų109132.1 Ų132.158%0.58364%0.64SS**Hα-helixtrans-64.3-32.6177.9-69.6-15.2000112.4D284 K290D284-D288 PolarHBondContact O-N 3.31Å; D288-K290 VanDerWaalsContact C-N 3.35Å
289H40Very low41.6Very low137 Ų137132.7 Ų132.763%0.63465%0.645SS**THydrogen-bonded Turntrans-76.7-18.2171.9-108-43.6000114.3K285 S287K285-H289 PolarHBondContact O-N 2.89Å; S287-H289 VanDerWaalsContact C-N 3.27Å; S287-H289 PolarHBondContact O-N 2.94Å
290K36.7Very low39.8Very low173 Ų173137 Ų13775%0.75266%0.663SS**THydrogen-bonded Turntrans-78.8-27.8172.1-86.4-176.4174.1-173.90111.9K286 S287 D288K286-K290 WeakPolarHBondContact O-CG 3.38Å; K286-K290 PolarHBondContact O-N 2.63Å; S287-K290 WeakPolarHBondContact O-CA 3.39Å; S287-K290 WeakPolarHBondContact O-CB 3.43Å; S287-K290 PolarHBondContact O-N 2.87Å; D288-K290 VanDerWaalsContact C-N 3.35Å
291D35.1Very low38.1Very low138 Ų138139.4 Ų139.474%0.73868%0.683SS**THydrogen-bonded Turntrans-87.5-3179.4-67.7-22.1000114.2S287S287-D291 PolarHBondContact O-N 3.23Å; S287-D291 VanDerWaalsContact O-N 3.14Å
292K31.6Very low36.7Very low179 Ų179143.9 Ų143.978%0.77870%0.703SS**THydrogen-bonded Turntrans-119.923.8172.2-80.4-173.1177.1179.30115.2
293K28.3Very low34.9Very low189 Ų189145.7 Ų145.782%0.82271%0.711SS**  trans-105.761166.6-93.8-174.9174.1-178.10111.4
294S31.1Very low33.6Very low97 Ų97148 Ų14868%0.67873%0.726SS**SBendtrans-123.6131.2143.863.60000106.5
295E29.2Very low31.9Very low183 Ų183150.3 Ų150.386%0.85574%0.738SS**SBendtrans97.9102.8178.2-54.3-176.116900116.7
296H26.5Very low30.9Very low189 Ų189151.3 Ų151.388%0.87575%0.75SS**  trans75.4117.5155.3-91.6-72.8000122.7
297M23.5Very low29.8Very low168 Ų168153.7 Ų153.783%0.82876%0.761SS**  trans-58.3127.7156.3-65.9178.3168.400110.5
298D26Very low28.8Very low140 Ų140156.1 Ų156.175%0.74978%0.778SS**  177.9133.9111.9-91.7-28.8000112.6
299N25.6Very low28.2Very low142 Ų142159 Ų15976%0.75979%0.794SS**  trans58.4120146-73-33.8000124.2
300K25.9Very low27.8Very low198 Ų198161.2 Ų161.286%0.86180%0.804SS**  trans85.6139130.6-110177.9179.4176.90120.8
301S25Very low27.4Very low99 Ų99162.5 Ų162.569%0.69281%0.809SS**  trans-57147.4179.656.60000114
302E28.9Very low27.3Very low197 Ų197163 Ų16392%0.92181%0.813SS**  trans-150.8130.8130.3-111.7166.6-157.600110.5
303Q22.3Very low27.4Very low162 Ų162162 Ų16276%0.75782%0.815SS**  trans-88.5122.5-179.9179.7-177.1-20.200106.8
304M28.6Very low27.4Very low179 Ų179162 Ų16288%0.88282%0.815SS**  trans-110.7106.2168-96.1-174.3163.500109.5
305D24.3Very low27.5Very low127 Ų127160.5 Ų160.568%0.67980%0.804SS**  trans-63.2122.6161.3-71.5-39.6000109.4
306N30Very low28.1Very low164 Ų164160.4 Ų160.488%0.87781%0.805SS**  trans-116.291.6158.9-84.9-20.9000108.4
307K21.7Very low29.1Very low205 Ų205156.9 Ų156.989%0.89179%0.787SS**  trans-89.8122.8158.4-86177.8176.2169.30108.4
308S25.9Very low30.3Very low104 Ų104154.4 Ų154.473%0.72778%0.778SS**  trans-165.698.9149.357.30000106.6
309D26Very low31.4Very low170 Ų170156.1 Ų156.191%0.90978%0.775SS**  70.291.999-76-27.4000113.2
310Q31.3Very low32.8Very low182 Ų182154.3 Ų154.385%0.8577%0.765SS**  trans-135.7112.5150.7-160.6165.8-17.300108.9D312Q310-D312 PolarHBondContact O-N 2.72Å
311K27.7Very low34.5Very low200 Ų200152.6 Ų152.687%0.8775%0.754SS**  trans-62.6107.5176.8-89171167169.80110N313K311-N313 PolarHBondContact O-N 3.38Å
312D35Very low36.5Very low150 Ų150152.8 Ų152.880%0.80275%0.751SS**  trans-79.6108.5165.4-72.9-33.3000110Q310 K314Q310-D312 PolarHBondContact O-N 2.72Å; D312-K314 PolarHBondContact O-N 3.05Å
313N32.8Very low38.1Very low157 Ų157147.9 Ų147.984%0.8473%0.73SS**  trans-56.2112.7163.7-87.9-26.3000108.9K311 P315K311-N313 PolarHBondContact O-N 3.38Å; N313-P315 VanDerWaalsContact O-CD 3.24Å; N313-P315 WeakPolarHBondContact O-CD 3.47Å
314K28.3Very low40.4Very low188 Ų188144 Ų14482%0.81771%0.714SS**  trans-70.6125.9169.5-88.9175.8171.3172.70110.8D312D312-K314 PolarHBondContact O-N 3.05Å
315P33.9Very low42.5Very low67 Ų67139.1 Ų139.144%0.43570%0.696SS.*  trans-113.5117.3151.424.4-4.5000109.7N313 F317N313-P315 VanDerWaalsContact O-CD 3.24Å; N313-P315 WeakPolarHBondContact O-CD 3.47Å; P315-F317 VanDerWaalsContact C-N 3.28Å; P315-F317 WeakPolarHBondContact O-CD2 3.38Å; P315-F317 PolarHBondContact O-N 2.88Å
316M40.9Very low44.8Very low180 Ų180136 Ų13689%0.88768%0.684SS**SBendtrans41.112.7148.4-122.8-177.6-144.600123.2N318M316-N318 PolarHBondContact O-N 2.75Å; M316-N318 VanDerWaalsContact O-N 3.16Å
317F47.7Very low47.1Very low115 Ų115132.1 Ų132.150%0.50467%0.666SS.*THydrogen-bonded Turntrans-70.4-4.7172.5-85.6-77.3000114.5P315 Y319P315-F317 VanDerWaalsContact C-N 3.28Å; P315-F317 WeakPolarHBondContact O-CD2 3.38Å; P315-F317 PolarHBondContact O-N 2.88Å; F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 2.95Å
318N48.7Very low49.8Very low116 Ų116127.1 Ų127.162%0.6265%0.648SS**Hα-helixtrans-65-25.4-178.9-92.98.8000114.3M316 V322M316-N318 PolarHBondContact O-N 2.75Å; M316-N318 VanDerWaalsContact O-N 3.16Å; N318-V322 WeakPolarHBondContact O-CG2 3.46Å
319Y49.5Very low52.3Low177 Ų177123.8 Ų123.869%0.69463%0.63SS**Hα-helixtrans-78.1-37.4-176.5-107.3-86.7000113.2F317 V322 L323F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 2.95Å; Y319-V322 PolarHBondContact O-N 2.82Å; Y319-L323 HydrophobicContact CD1-CD1 4.07Å; Y319-L323 WeakPolarHBondContact O-CB 3.34Å; Y319-L323 PolarHBondContact O-N 2.84Å
320L54Low54.9Low104 Ų104121.3 Ų121.355%0.54562%0.616SS.*Hα-helixtrans-70.5-36.4179.8-90.4141.7000112.5V322 I324L320-V322 VanDerWaalsContact C-N 3.26Å; L320-V322 PolarHBondContact O-N 3Å; L320-I324 HydrophobicContact CD2-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 2.85Å
321Y62.4Low57.5Low161 Ų161116.8 Ų116.863%0.63160%0.6SS**Hα-helixtrans-67.8-21.7176.2-90.5-81.7000114.1P325Y321-P325 WeakPolarHBondContact O-CD 3.05Å; Y321-P325 WeakPolarHBondContact O-CG 3.48Å
322V66.8Low60.2Low103 Ų103112 Ų11262%0.62459%0.588SS**Hα-helixtrans-93.9-40.7177.1178.10000110.8N318 Y319 L320 S326N318-V322 WeakPolarHBondContact O-CG2 3.46Å; Y319-V322 PolarHBondContact O-N 2.82Å; L320-V322 VanDerWaalsContact C-N 3.26Å; L320-V322 PolarHBondContact O-N 3Å; V322-S326 WeakPolarHBondContact O-CB 3.3Å; V322-S326 PolarHBondContact O-N 2.82Å; V322-S326 VanDerWaalsContact O-N 3.13Å
323L62.8Low62.4Low95 Ų95108.6 Ų108.650%0.49757%0.573SS.*Hα-helixtrans-67.4-43.5-177.9-82.1164.9000112.8Y319 S326 V327Y319-L323 HydrophobicContact CD1-CD1 4.07Å; Y319-L323 WeakPolarHBondContact O-CB 3.34Å; Y319-L323 PolarHBondContact O-N 2.84Å; L323-S326 PolarHBondContact O-N 2.88Å; L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.47Å; L323-V327 PolarHBondContact O-N 2.82Å
324I70.4Confident64.7Low80 Ų80102.6 Ų102.641%0.4155%0.548SS..Hα-helixtrans-65.8-48.9-174.7-63.3168.6000111.6L320 S326 V327 I328L320-I324 HydrophobicContact CD2-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CG1 3.33Å; L320-I324 PolarHBondContact O-N 2.85Å; I324-S326 VanDerWaalsContact C-N 3.31Å; I324-S326 PolarHBondContact O-N 3.43Å; I324-V327 PolarHBondContact O-N 2.8Å; I324-I328 HydrophobicContact CG2-CD1 3.94Å; I324-I328 VanDerWaalsContact O-CG1 3.29Å; I324-I328 WeakPolarHBondContact O-CG1 3.45Å; I324-I328 PolarHBondContact O-N 3.22Å
325P71.6Confident67.4Low77 Ų7797.7 Ų97.750%0.553%0.533SS..Hα-helixtrans-65.4-32.9173.8-22.335.7000113Y321 I328 G329Y321-P325 WeakPolarHBondContact O-CD 3.05Å; Y321-P325 WeakPolarHBondContact O-CG 3.48Å; P325-I328 PolarHBondContact O-N 2.94Å; P325-G329 PolarHBondContact O-N 3.09Å
326S72.9Confident69.7Low61 Ų6196.4 Ų96.443%0.42753%0.532SS..Hα-helixtrans-66.7-41.1176.4-173.40000112V322 L323 I324 G329 L330V322-S326 WeakPolarHBondContact O-CB 3.3Å; V322-S326 PolarHBondContact O-N 2.82Å; V322-S326 VanDerWaalsContact O-N 3.13Å; L323-S326 PolarHBondContact O-N 2.88Å; I324-S326 VanDerWaalsContact C-N 3.31Å; I324-S326 PolarHBondContact O-N 3.43Å; S326-G329 PolarHBondContact O-N 2.69Å; S326-L330 WeakPolarHBondContact O-CB 3.33Å; S326-L330 VanDerWaalsContact O-CG 3.31Å; S326-L330 WeakPolarHBondContact O-CG 3.37Å; S326-L330 PolarHBondContact O-N 2.96Å
327V78.4Confident71.6Confident83 Ų8393.7 Ų93.750%0.50352%0.516SS..Hα-helixtrans-68.2-43.3176.3174.70000110.3L323 I324 G329 L330 V331L323-V327 VanDerWaalsContact O-CG2 3.31Å; L323-V327 WeakPolarHBondContact O-CG2 3.47Å; L323-V327 PolarHBondContact O-N 2.82Å; I324-V327 PolarHBondContact O-N 2.8Å; V327-G329 VanDerWaalsContact C-N 3.3Å; V327-G329 PolarHBondContact O-N 3Å; V327-L330 PolarHBondContact O-N 3.28Å; V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CG2 3.21Å; V327-V331 PolarHBondContact O-N 3.16Å
328I79.6Confident73.3Confident100 Ų10093.9 Ų93.951%0.51352%0.521SS..Hα-helixtrans-59.9-44.2174.6-66.5167.7000110.2I324 P325 L330 V331 V332I324-I328 HydrophobicContact CG2-CD1 3.94Å; I324-I328 VanDerWaalsContact O-CG1 3.29Å; I324-I328 WeakPolarHBondContact O-CG1 3.45Å; I324-I328 PolarHBondContact O-N 3.22Å; P325-I328 PolarHBondContact O-N 2.94Å; I328-L330 PolarHBondContact O-N 3.43Å; I328-V331 PolarHBondContact O-N 3.28Å; I328-V332 HydrophobicContact CG2-CG2 4.45Å; I328-V332 VanDerWaalsContact O-CG2 3.28Å; I328-V332 WeakPolarHBondContact O-CG2 3.11Å; I328-V332 PolarHBondContact O-N 3.16Å
329G77.9Confident74.9Confident34 Ų3492 Ų9235%0.35151%0.514SS..Hα-helixtrans-59.5-45.7175.600000112.5P325 S326 V327 V332 V333P325-G329 PolarHBondContact O-N 3.09Å; S326-G329 PolarHBondContact O-N 2.69Å; V327-G329 VanDerWaalsContact C-N 3.3Å; V327-G329 PolarHBondContact O-N 3Å; G329-V332 PolarHBondContact O-N 2.98Å; G329-V333 WeakPolarHBondContact O-CB 3.43Å; G329-V333 WeakPolarHBondContact O-CG2 3.33Å; G329-V333 PolarHBondContact O-N 3.15Å
330L81.5Confident76.4Confident117 Ų11791.2 Ų91.261%0.61351%0.509SS*.Hα-helixtrans-64.4-39177.1-77169.5000112.8S326 V327 I328 V333 G334S326-L330 WeakPolarHBondContact O-CB 3.33Å; S326-L330 VanDerWaalsContact O-CG 3.31Å; S326-L330 WeakPolarHBondContact O-CG 3.37Å; S326-L330 PolarHBondContact O-N 2.96Å; V327-L330 PolarHBondContact O-N 3.28Å; I328-L330 PolarHBondContact O-N 3.43Å; L330-V333 PolarHBondContact O-N 2.64Å; L330-G334 PolarHBondContact O-N 3.03Å
331V83.9Confident77.6Confident87 Ų8792.8 Ų92.853%0.52751%0.512SS..Hα-helixtrans-65.3-45.3175.4172.50000110.5V327 I328 V333 G334 V335V327-V331 HydrophobicContact CG1-CG2 4.43Å; V327-V331 WeakPolarHBondContact O-CG2 3.21Å; V327-V331 PolarHBondContact O-N 3.16Å; I328-V331 PolarHBondContact O-N 3.28Å; V331-V333 VanDerWaalsContact C-N 3.34Å; V331-V333 PolarHBondContact O-N 2.82Å; V331-G334 PolarHBondContact O-N 2.81Å; V331-V335 HydrophobicContact CG1-CG2 4.46Å; V331-V335 VanDerWaalsContact O-CG2 3.31Å; V331-V335 WeakPolarHBondContact O-CG2 3.36Å; V331-V335 PolarHBondContact O-N 2.88Å
332V84.4Confident78.4Confident99 Ų9993.3 Ų93.360%0.651%0.513SS*.Hα-helixtrans-62.4-42.5177.5172.20000111.2I328 G329 G336I328-V332 HydrophobicContact CG2-CG2 4.45Å; I328-V332 VanDerWaalsContact O-CG2 3.28Å; I328-V332 WeakPolarHBondContact O-CG2 3.11Å; I328-V332 PolarHBondContact O-N 3.16Å; G329-V332 PolarHBondContact O-N 2.98Å; V332-G336 PolarHBondContact O-N 3.27Å
333V82.3Confident78.8Confident80 Ų8093.5 Ų93.549%0.48551%0.51SS..Hα-helixtrans-65.4-43.5175.9170.30000110.8G329 L330 V331 G336 F337G329-V333 WeakPolarHBondContact O-CB 3.43Å; G329-V333 WeakPolarHBondContact O-CG2 3.33Å; G329-V333 PolarHBondContact O-N 3.15Å; L330-V333 PolarHBondContact O-N 2.64Å; V331-V333 VanDerWaalsContact C-N 3.34Å; V331-V333 PolarHBondContact O-N 2.82Å; V333-G336 CarbonylContact O-C 3.59Å; V333-G336 WeakPolarHBondContact O-CA 3.24Å; V333-G336 PolarHBondContact O-N 3.05Å; V333-F337 HydrophobicContact CG1-CD2 3.64Å; V333-F337 HydrophobicContact CG1-CE2 3.64Å; V333-F337 WeakPolarHBondContact O-CD2 3.45Å; V333-F337 PolarHBondContact O-N 2.87Å
334G80.7Confident79.5Confident31 Ų3191.7 Ų91.732%0.3251%0.505SS..Hα-helixtrans-61.7-45.2177.400000112.8L330 V331 G336 F337 I338L330-G334 PolarHBondContact O-N 3.03Å; V331-G334 PolarHBondContact O-N 2.81Å; G334-G336 VanDerWaalsContact C-N 3.31Å; G334-G336 PolarHBondContact O-N 2.7Å; G334-F337 PolarHBondContact O-N 3.44Å; G334-I338 WeakPolarHBondContact O-CG1 3.44Å; G334-I338 PolarHBondContact O-N 2.83Å
335V85.3Confident79.7Confident85 Ų8596 Ų9652%0.51552%0.521SS..Hα-helixtrans-61.7-41.8173.3174.10000110.6V331 F337 I338 V339V331-V335 HydrophobicContact CG1-CG2 4.46Å; V331-V335 VanDerWaalsContact O-CG2 3.31Å; V331-V335 WeakPolarHBondContact O-CG2 3.36Å; V331-V335 PolarHBondContact O-N 2.88Å; V335-F337 PolarHBondContact O-N 2.76Å; V335-I338 PolarHBondContact O-N 2.93Å; V335-V339 HydrophobicContact CG1-CG2 4.45Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.22Å; V335-V339 PolarHBondContact O-N 2.76Å
336G82.1Confident79.3Confident40 Ų40101.3 Ų101.341%0.41253%0.531SS..Hα-helixtrans-59.3-43.7174.800000113.1V332 V333 G334 V339 W340V332-G336 PolarHBondContact O-N 3.27Å; V333-G336 CarbonylContact O-C 3.59Å; V333-G336 WeakPolarHBondContact O-CA 3.24Å; V333-G336 PolarHBondContact O-N 3.05Å; G334-G336 VanDerWaalsContact C-N 3.31Å; G334-G336 PolarHBondContact O-N 2.7Å; G336-V339 PolarHBondContact O-N 2.94Å; G336-W340 WeakPolarHBondContact O-CB 3.23Å; G336-W340 PolarHBondContact O-N 3.26Å
337F80.9Confident78.4Confident122 Ų122109.5 Ų109.554%0.53556%0.562SS.*Hα-helixtrans-65.6-41.5176.3-92.2-76000112.5V333 G334 V335 W340 F341V333-F337 HydrophobicContact CG1-CD2 3.64Å; V333-F337 HydrophobicContact CG1-CE2 3.64Å; V333-F337 WeakPolarHBondContact O-CD2 3.45Å; V333-F337 PolarHBondContact O-N 2.87Å; G334-F337 PolarHBondContact O-N 3.44Å; V335-F337 PolarHBondContact O-N 2.76Å; F337-W340 AromaticContact CD1-CE3 3.81Å; F337-W340 HydrophobicContact CD1-CE3 3.81Å; F337-W340 HydrophobicContact CD1-CZ3 4.1Å; F337-W340 HydrophobicContact CE1-CE3 4.03Å; F337-W340 AromaticContact CE1-CZ3 3.95Å; F337-W340 HydrophobicContact CE1-CZ3 3.95Å; F337-W340 PolarHBondContact O-N 2.83Å; F337-F341 VanDerWaalsContact O-CB 3.3Å; F337-F341 WeakPolarHBondContact O-CB 3.32Å; F337-F341 PolarHBondContact O-N 3.45Å
338I83Confident78.4Confident119 Ų119110.8 Ų110.861%0.6157%0.565SS**Hα-helixtrans-61.4-47.3176.6-68.6165.6000110G334 V335 W340 F341 W342G334-I338 WeakPolarHBondContact O-CG1 3.44Å; G334-I338 PolarHBondContact O-N 2.83Å; V335-I338 PolarHBondContact O-N 2.93Å; I338-W340 PolarHBondContact O-N 3.36Å; I338-F341 PolarHBondContact O-N 3.14Å; I338-W342 WeakPolarHBondContact O-CB 3.33Å; I338-W342 PolarHBondContact O-N 3.42Å
339V82.4Confident78.3Confident78 Ų78111.4 Ų111.447%0.47357%0.568SS.*Hα-helixtrans-62.8-43.6178173.50000110.9V335 G336 W342 L343V335-V339 HydrophobicContact CG1-CG2 4.45Å; V335-V339 VanDerWaalsContact O-CG2 3.29Å; V335-V339 WeakPolarHBondContact O-CG2 3.22Å; V335-V339 PolarHBondContact O-N 2.76Å; G336-V339 PolarHBondContact O-N 2.94Å; V339-W342 PolarHBondContact O-N 3.05Å; V339-L343 HydrophobicContact CG1-CD1 4.04Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.37Å; V339-L343 PolarHBondContact O-N 2.66Å
340W81.2Confident78.3Confident159 Ų159115.7 Ų115.760%0.60258%0.58SS**Hα-helixtrans-63-45.5177.9177.756.6000112.6G336 F337 I338 W342 L343 S344G336-W340 WeakPolarHBondContact O-CB 3.23Å; G336-W340 PolarHBondContact O-N 3.26Å; F337-W340 AromaticContact CD1-CE3 3.81Å; F337-W340 HydrophobicContact CD1-CE3 3.81Å; F337-W340 HydrophobicContact CD1-CZ3 4.1Å; F337-W340 HydrophobicContact CE1-CE3 4.03Å; F337-W340 AromaticContact CE1-CZ3 3.95Å; F337-W340 HydrophobicContact CE1-CZ3 3.95Å; F337-W340 PolarHBondContact O-N 2.83Å; I338-W340 PolarHBondContact O-N 3.36Å; W340-W342 VanDerWaalsContact C-N 3.29Å; W340-W342 PolarHBondContact O-N 3.16Å; W340-L343 WeakPolarHBondContact O-CB 3.2Å; W340-L343 PolarHBondContact O-N 3.21Å; W340-L343 VanDerWaalsContact O-N 3.1Å; W340-S344 PolarHBondContact O-N 3.21Å
341F78.7Confident78.1Confident138 Ų138115.6 Ų115.661%0.60558%0.578SS**Hα-helixtrans-64.5-35.5177.8-164.2-93.8000112F337 I338 L343 S344 K345F337-F341 VanDerWaalsContact O-CB 3.3Å; F337-F341 WeakPolarHBondContact O-CB 3.32Å; F337-F341 PolarHBondContact O-N 3.45Å; I338-F341 PolarHBondContact O-N 3.14Å; F341-L343 VanDerWaalsContact C-N 3.3Å; F341-L343 PolarHBondContact O-N 3.39Å; F341-S344 PolarHBondContact O-OG 3.05Å; F341-S344 VanDerWaalsContact O-OG 3.05Å; F341-K345 PolarHBondContact O-N 3.15Å
342W79.4Confident77.8Confident171 Ų171117.4 Ų117.465%0.64858%0.581SS**Hα-helixtrans-65.5-35173.7-131.879.4000112.2I338 V339 W340I338-W342 WeakPolarHBondContact O-CB 3.33Å; I338-W342 PolarHBondContact O-N 3.42Å; V339-W342 PolarHBondContact O-N 3.05Å; W340-W342 VanDerWaalsContact C-N 3.29Å; W340-W342 PolarHBondContact O-N 3.16Å
343L75.7Confident77.3Confident108 Ų108118.6 Ų118.657%0.56558%0.58SS**Hα-helixtrans-76.1-38.9177.8-70.7169000112.6V339 W340 F341 K345 R346V339-L343 HydrophobicContact CG1-CD1 4.04Å; V339-L343 VanDerWaalsContact O-CG 3.28Å; V339-L343 WeakPolarHBondContact O-CG 3.37Å; V339-L343 PolarHBondContact O-N 2.66Å; W340-L343 WeakPolarHBondContact O-CB 3.2Å; W340-L343 PolarHBondContact O-N 3.21Å; W340-L343 VanDerWaalsContact O-N 3.1Å; F341-L343 VanDerWaalsContact C-N 3.3Å; F341-L343 PolarHBondContact O-N 3.39Å; L343-K345 PolarHBondContact O-N 3.02Å; L343-R346 PolarHBondContact O-N 3Å
344S78.1Confident77Confident56 Ų56121.4 Ų121.439%0.39259%0.587SS.*Hα-helixtrans-66.1-23.8179.265.60000112.9W340 F341 R346W340-S344 PolarHBondContact O-N 3.21Å; F341-S344 PolarHBondContact O-OG 3.05Å; F341-S344 VanDerWaalsContact O-OG 3.05Å; S344-R346 VanDerWaalsContact C-N 3.31Å
345K74.3Confident76.7Confident170 Ų170128.3 Ų128.374%0.73961%0.608SS**THydrogen-bonded Turntrans-83.8-3.1178.3-143.9-178.4-176-176.50113.9F341 L343F341-K345 PolarHBondContact O-N 3.15Å; L343-K345 PolarHBondContact O-N 3.02Å
346R63.4Low76Confident190 Ų190131.9 Ų131.972%0.71762%0.615SS**THydrogen-bonded Turntrans-100.9-2.3177.7-89.1-171.6176.4-170.7-1.3114.1L343 S344L343-R346 PolarHBondContact O-N 3Å; S344-R346 VanDerWaalsContact C-N 3.31Å
347Q52.4Low75.4Confident232 Ų232140.3 Ų140.3100%1.08463%0.634SS**  trans-94.10158.3-74.3-176.4-57.400108.2

Retrieved 347 of 347 residues in 227.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).