G4VN62_SCHMA Loading...

Signal peptidase complex catalytic subunit SEC11

Catalytic component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Specifically cleaves N-terminal signal peptides that contain a hydrophobic alpha-helix (h-region) shorter than 18-20 amino acids.

AlphaFold DB , UniProt , Accession G4VN62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low54.7Low225 Ų225107.7 Ų107.7100%1.10857%0.567SS**  067.90-170.5174.1-167.700108.8
2G46.8Very low55.2Low45 Ų45109.7 Ų109.746%0.46457%0.568SS.*  trans-173.313-167.600000120.3
3L48.8Very low56.2Low141 Ų141114.7 Ų114.774%0.73858%0.582SS**SBendtrans-138.3-44.3168.5-77.1173.1000110.7D7L3-D7 PolarHBondContact O-N 3.17Å
4L52.8Low57.5Low124 Ų124120.2 Ų120.265%0.64959%0.593SS**Hα-helixtrans-68.8-38.1-179.1-66.5169.1000114.6L177L4-L177 HydrophobicContact CD2-CD1 4.18Å
5D53.1Low58.3Low71 Ų71116.1 Ų116.138%0.3857%0.572SS.*Hα-helixtrans-70.7-41.3179.6-65.2-36.9000110.2D7 L8 F9D5-D7 PolarHBondContact O-N 3.47Å; D5-L8 PolarHBondContact O-N 3.39Å; D5-F9 HydrophobicContact CB-CD2 3.99Å; D5-F9 HydrophobicContact CB-CE2 4Å; D5-F9 WeakPolarHBondContact O-CB 3.33Å; D5-F9 WeakPolarHBondContact O-CD2 2.99Å; D5-F9 PolarHBondContact O-N 3.13Å
6M55.5Low59.9Low114 Ų114115.8 Ų115.856%0.56257%0.573SS**Hα-helixtrans-63.6-43.1-174.5-65.5-174.470.200112.5D10M6-D10 WeakPolarHBondContact O-CB 3.22Å; M6-D10 PolarHBondContact O-N 3.46Å
7D58.3Low61.3Low95 Ų95120.5 Ų120.551%0.50859%0.59SS.*Hα-helixtrans-69.6-42.2-179.4-75.4-21.3000112.9L3 D5 D10 D11L3-D7 PolarHBondContact O-N 3.17Å; D5-D7 PolarHBondContact O-N 3.47Å; D7-D10 PolarHBondContact O-N 3.18Å; D7-D11 WeakPolarHBondContact O-CB 3.34Å; D7-D11 VanDerWaalsContact O-CG 3.23Å; D7-D11 PolarHBondContact O-N 3.04Å; D7-D11 VanDerWaalsContact O-OD2 3.13Å
8L58.7Low62.7Low116 Ų116123.2 Ų123.261%0.60759%0.593SS**Hα-helixtrans-65.4-43.1176.3-76.1174.3000111.8D5 F12D5-L8 PolarHBondContact O-N 3.39Å; L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 PolarHBondContact O-N 2.84Å
9F60.7Low63.9Low144 Ų144121.8 Ų121.863%0.63259%0.585SS**Hα-helixtrans-67.1-37.7176.7-78.2-65.1000111.6D5 F12 K13D5-F9 HydrophobicContact CB-CD2 3.99Å; D5-F9 HydrophobicContact CB-CE2 4Å; D5-F9 WeakPolarHBondContact O-CB 3.33Å; D5-F9 WeakPolarHBondContact O-CD2 2.99Å; D5-F9 PolarHBondContact O-N 3.13Å; F9-F12 PolarHBondContact O-N 3.34Å; F9-K13 WeakPolarHBondContact O-CB 3.31Å; F9-K13 PolarHBondContact O-N 3.48Å
10D65.4Low65Low65 Ų65117.5 Ų117.535%0.34857%0.566SS.*Hα-helixtrans-68.8-39.5177.9-80.8-16.4000112.1M6 D7 K13 R14M6-D10 WeakPolarHBondContact O-CB 3.22Å; M6-D10 PolarHBondContact O-N 3.46Å; D7-D10 PolarHBondContact O-N 3.18Å; D10-K13 PolarHBondContact O-N 3.16Å; D10-R14 WeakPolarHBondContact O-CB 3.37Å; D10-R14 WeakPolarHBondContact O-CG 3.49Å; D10-R14 PolarHBondContact O-N 3.34Å
11D62.9Low66.2Low45 Ų45118.6 Ų118.624%0.24157%0.566CS.*Hα-helixtrans-64.2-47.4173-70-35.2000111.6D7 K13 R14 M15 R180D7-D11 WeakPolarHBondContact O-CB 3.34Å; D7-D11 VanDerWaalsContact O-CG 3.23Å; D7-D11 PolarHBondContact O-N 3.04Å; D7-D11 VanDerWaalsContact O-OD2 3.13Å; D11-K13 PolarHBondContact O-N 3.38Å; D11-R14 CarbonylContact O-C 3.59Å; D11-R14 PolarHBondContact O-N 2.91Å; D11-M15 VanDerWaalsContact O-CG 3.3Å; D11-M15 WeakPolarHBondContact O-CG 3.27Å; D11-M15 PolarHBondContact O-N 3.44Å; D11-R180 IonicContact OD1-CZ 3.79Å; D11-R180 IonicContact OD1-NH2 2.77Å; D11-R180 PolarHBondContact OD1-NH2 3.14Å; D11-R180 IonicContact OD2-CZ 2.95Å; D11-R180 IonicContact OD2-NH1 2.7Å; D11-R180 PolarHBondContact OD2-NH1 3.37Å; D11-R180 IonicContact OD2-NH2 2.71Å; D11-R180 PolarHBondContact OD2-NH2 3.12Å
12F60.8Low68.6Low131 Ų131113.2 Ų113.258%0.57553%0.534SS*.Hα-helixtrans-60.7-32.4177.7-158.4-95.1000111.8L8 F9 M15 V20L8-F12 WeakPolarHBondContact O-CB 3.32Å; L8-F12 PolarHBondContact O-N 2.84Å; F9-F12 PolarHBondContact O-N 3.34Å; F12-M15 HydrophobicContact CD2-SD 4.47Å; F12-V20 HydrophobicContact CE2-CG1 4.1Å; F12-V20 HydrophobicContact CE2-CG2 4.49Å; F12-V20 HydrophobicContact CZ-CG1 3.85Å; F12-V20 HydrophobicContact CZ-CG2 4.47Å
13K67.8Low70.6Confident175 Ų175116 Ų11676%0.76154%0.535SS*.Hα-helixtrans-75.8-28.6175.6-166.3176.9-177.3-176.80113F9 D10 D11F9-K13 WeakPolarHBondContact O-CB 3.31Å; F9-K13 PolarHBondContact O-N 3.48Å; D10-K13 PolarHBondContact O-N 3.16Å; D11-K13 PolarHBondContact O-N 3.38Å
14R74Confident72.7Confident192 Ų192113.5 Ų113.573%0.72553%0.525SS*.Hα-helixtrans-80.8-22.4174.7-72.1170-172.1-158.75.7113D10 D11 N16D10-R14 WeakPolarHBondContact O-CB 3.37Å; D10-R14 WeakPolarHBondContact O-CG 3.49Å; D10-R14 PolarHBondContact O-N 3.34Å; D11-R14 CarbonylContact O-C 3.59Å; D11-R14 PolarHBondContact O-N 2.91Å; R14-N16 PolarHBondContact O-N 3.49Å
15M70.3Confident74.7Confident59 Ų59110.9 Ų110.929%0.29151%0.512SS..SBendtrans-66.9127.9179.8-73.4174.183.300111.3D11 F12 Q19 V20 Q23D11-M15 VanDerWaalsContact O-CG 3.3Å; D11-M15 WeakPolarHBondContact O-CG 3.27Å; D11-M15 PolarHBondContact O-N 3.44Å; F12-M15 HydrophobicContact CD2-SD 4.47Å; M15-Q19 HydrophobicContact CB-CB 4.37Å; M15-Q19 HydrophobicContact CE-CB 4.07Å; M15-V20 HydrophobicContact CB-CG2 3.61Å; M15-V20 HydrophobicContact CE-CG2 4.18Å; M15-V20 HydrophobicContact SD-CG2 4.27Å; M15-Q23 HydrophobicContact CE-CB 4.22Å
16N83Confident76.6Confident110 Ų110110.9 Ų110.959%0.58851%0.514SS*.  trans-60.9147169.5-76.6-45.1000109.8R14 R18 Q19 V20R14-N16 PolarHBondContact O-N 3.49Å; N16-R18 PolarHBondContact O-N 2.87Å; N16-Q19 HydrophobicContact CB-CG 4.33Å; N16-Q19 WeakPolarHBondContact O-CA 3.34Å; N16-Q19 WeakPolarHBondContact O-CB 3.2Å; N16-Q19 PolarHBondContact O-N 3.48Å; N16-V20 PolarHBondContact O-N 2.77Å; N16-V20 VanDerWaalsContact O-N 3.12Å
17K84.7Confident78.4Confident196 Ų196110 Ų11085%0.85251%0.511SS*.Hα-helixtrans-48-35.9176.1-65.8-177.2-179.9-179.80112.7Y21K17-Y21 PolarHBondContact O-N 2.7Å; K17-Y21 VanDerWaalsContact O-N 3.14Å
18R86.3Confident80.1Confident170 Ų170108 Ų10864%0.64251%0.507SS*.Hα-helixtrans-66.8-40.2175.8-174.8176.8179.3-159.6-6.8113.3N16 Y21 Y22N16-R18 PolarHBondContact O-N 2.87Å; R18-Y21 PolarHBondContact O-N 3.17Å; R18-Y22 HydrophobicContact CG-CD2 3.91Å; R18-Y22 HydrophobicContact CG-CE2 3.41Å; R18-Y22 VanDerWaalsContact CG-CE2 3.41Å; R18-Y22 PolarHBondContact NE-OH 2.9Å; R18-Y22 PolarHBondContact NH2-OH 3.27Å; R18-Y22 WeakPolarHBondContact O-CD2 2.97Å; R18-Y22 PolarHBondContact O-N 3.04Å
19Q84.7Confident82Confident97 Ų97108.6 Ų108.645%0.45351%0.508SS..Hα-helixtrans-67.8-43.9177.5-73170.4-34.200111.2M15 N16 Y21 Y22 Q23M15-Q19 HydrophobicContact CB-CB 4.37Å; M15-Q19 HydrophobicContact CE-CB 4.07Å; N16-Q19 HydrophobicContact CB-CG 4.33Å; N16-Q19 WeakPolarHBondContact O-CA 3.34Å; N16-Q19 WeakPolarHBondContact O-CB 3.2Å; N16-Q19 PolarHBondContact O-N 3.48Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.38Å; Q19-Y22 PolarHBondContact O-N 2.71Å; Q19-Q23 PolarHBondContact O-N 3.48Å
20V86.8Confident83.6Confident34 Ų34106 Ų10621%0.20651%0.505CS..Hα-helixtrans-58-44.2174.9179.90000110.4F12 M15 N16 Q23 V24F12-V20 HydrophobicContact CE2-CG1 4.1Å; F12-V20 HydrophobicContact CE2-CG2 4.49Å; F12-V20 HydrophobicContact CZ-CG1 3.85Å; F12-V20 HydrophobicContact CZ-CG2 4.47Å; M15-V20 HydrophobicContact CB-CG2 3.61Å; M15-V20 HydrophobicContact CE-CG2 4.18Å; M15-V20 HydrophobicContact SD-CG2 4.27Å; N16-V20 PolarHBondContact O-N 2.77Å; N16-V20 VanDerWaalsContact O-N 3.12Å; V20-Q23 PolarHBondContact O-N 3.4Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.97Å
21Y89.9Confident85.1Confident142 Ų142106.7 Ų106.756%0.55751%0.511SS*.Hα-helixtrans-60.7-46.9177-179.4-104000113K17 R18 Q19 Q23 V24 L25K17-Y21 PolarHBondContact O-N 2.7Å; K17-Y21 VanDerWaalsContact O-N 3.14Å; R18-Y21 PolarHBondContact O-N 3.17Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.38Å; Y21-Q23 VanDerWaalsContact C-N 3.32Å; Y21-Q23 PolarHBondContact O-N 3.5Å; Y21-V24 PolarHBondContact O-N 3.41Å; Y21-L25 HydrophobicContact CD1-CD1 3.82Å; Y21-L25 HydrophobicContact CD1-CG 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.22Å; Y21-L25 HydrophobicContact CE1-CG 3.9Å; Y21-L25 HydrophobicContact CE2-CD1 4.41Å; Y21-L25 HydrophobicContact CE2-CD2 4.41Å; Y21-L25 HydrophobicContact CE2-CG 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.28Å; Y21-L25 PolarHBondContact O-N 2.94Å
22Y90.5Very high86.8Confident112 Ų112106.6 Ų106.644%0.43952%0.516SS..Hα-helixtrans-63.6-36.7176.4-72.2-51.1000113R18 Q19 L25 T26R18-Y22 HydrophobicContact CG-CD2 3.91Å; R18-Y22 HydrophobicContact CG-CE2 3.41Å; R18-Y22 VanDerWaalsContact CG-CE2 3.41Å; R18-Y22 PolarHBondContact NE-OH 2.9Å; R18-Y22 PolarHBondContact NH2-OH 3.27Å; R18-Y22 WeakPolarHBondContact O-CD2 2.97Å; R18-Y22 PolarHBondContact O-N 3.04Å; Q19-Y22 PolarHBondContact O-N 2.71Å; Y22-L25 PolarHBondContact O-N 3.28Å; Y22-T26 WeakPolarHBondContact O-CB 3.5Å; Y22-T26 PolarHBondContact O-N 2.92Å; Y22-T26 PolarHBondContact O-OG1 2.94Å
23Q88.7Confident88.5Confident103 Ų103102.7 Ų102.748%0.48151%0.505SS..Hα-helixtrans-64-45.6176.1-169.166.25.700111.1M15 Q19 V20 Y21 L25 T26 I27M15-Q23 HydrophobicContact CE-CB 4.22Å; Q19-Q23 PolarHBondContact O-N 3.48Å; V20-Q23 PolarHBondContact O-N 3.4Å; Y21-Q23 VanDerWaalsContact C-N 3.32Å; Y21-Q23 PolarHBondContact O-N 3.5Å; Q23-L25 PolarHBondContact O-N 3.43Å; Q23-T26 PolarHBondContact O-N 3.48Å; Q23-I27 HydrophobicContact CG-CD1 4.14Å; Q23-I27 WeakPolarHBondContact O-CG1 3.5Å; Q23-I27 PolarHBondContact O-N 2.85Å
24V92.1Very high89.9Confident88 Ų8897.2 Ų97.253%0.53349%0.492SS..Hα-helixtrans-61-45.3175.7171.80000111V20 Y21 T26 I27 A28V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.97Å; Y21-V24 PolarHBondContact O-N 3.41Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.01Å; V24-I27 PolarHBondContact O-N 3.33Å; V24-A28 VanDerWaalsContact O-CB 3.27Å; V24-A28 WeakPolarHBondContact O-CB 3.34Å; V24-A28 PolarHBondContact O-N 3.1Å
25L94.1Very high91Very high70 Ų7093.1 Ų93.137%0.36649%0.485SS..Hα-helixtrans-61.4-41.1176.6-75.7-175.2000112.5Y21 Y22 Q23 A28 M29Y21-L25 HydrophobicContact CD1-CD1 3.82Å; Y21-L25 HydrophobicContact CD1-CG 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.22Å; Y21-L25 HydrophobicContact CE1-CG 3.9Å; Y21-L25 HydrophobicContact CE2-CD1 4.41Å; Y21-L25 HydrophobicContact CE2-CD2 4.41Å; Y21-L25 HydrophobicContact CE2-CG 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.28Å; Y21-L25 PolarHBondContact O-N 2.94Å; Y22-L25 PolarHBondContact O-N 3.28Å; Q23-L25 PolarHBondContact O-N 3.43Å; L25-A28 PolarHBondContact O-N 2.88Å; L25-M29 WeakPolarHBondContact O-CB 3.34Å; L25-M29 PolarHBondContact O-N 3.02Å
26T93.1Very high92.3Very high71 Ų7196.3 Ų96.344%0.43650%0.5SS..Hα-helixtrans-65.6-46.6179.8-56.90000110.7Y22 Q23 V24 A28 M29 V30Y22-T26 WeakPolarHBondContact O-CB 3.5Å; Y22-T26 PolarHBondContact O-N 2.92Å; Y22-T26 PolarHBondContact O-OG1 2.94Å; Q23-T26 PolarHBondContact O-N 3.48Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.01Å; T26-A28 VanDerWaalsContact C-N 3.35Å; T26-A28 PolarHBondContact O-N 2.93Å; T26-M29 WeakPolarHBondContact O-CB 3.48Å; T26-M29 PolarHBondContact O-N 3.23Å; T26-V30 WeakPolarHBondContact O-CG2 3.46Å; T26-V30 PolarHBondContact O-N 2.9Å
27I93Very high92.9Very high96 Ų9696.1 Ų96.149%0.49250%0.498SS..Hα-helixtrans-60.7-45.8175.2-66.5167.5000110.4Q23 V24 M29 V30 V31Q23-I27 HydrophobicContact CG-CD1 4.14Å; Q23-I27 WeakPolarHBondContact O-CG1 3.5Å; Q23-I27 PolarHBondContact O-N 2.85Å; V24-I27 PolarHBondContact O-N 3.33Å; I27-M29 VanDerWaalsContact C-N 3.29Å; I27-M29 PolarHBondContact O-N 3.44Å; I27-V30 PolarHBondContact O-N 3.26Å; I27-V31 HydrophobicContact CG2-CG2 4.42Å; I27-V31 WeakPolarHBondContact O-CG2 3.19Å; I27-V31 PolarHBondContact O-N 2.92Å
28A95.7Very high93.5Very high52 Ų5291.7 Ų91.743%0.4348%0.476SS..Hα-helixtrans-60.1-39.7177.400000111.9V24 L25 T26 A32V24-A28 VanDerWaalsContact O-CB 3.27Å; V24-A28 WeakPolarHBondContact O-CB 3.34Å; V24-A28 PolarHBondContact O-N 3.1Å; L25-A28 PolarHBondContact O-N 2.88Å; T26-A28 VanDerWaalsContact C-N 3.35Å; T26-A28 PolarHBondContact O-N 2.93Å; A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 3.37Å
29M96.8Very high94Very high128 Ų12889.9 Ų89.963%0.63147%0.473SS*.Hα-helixtrans-65.7-44.3177.3-167.6-172.4-36.200112L25 T26 I27 A32 S33L25-M29 WeakPolarHBondContact O-CB 3.34Å; L25-M29 PolarHBondContact O-N 3.02Å; T26-M29 WeakPolarHBondContact O-CB 3.48Å; T26-M29 PolarHBondContact O-N 3.23Å; I27-M29 VanDerWaalsContact C-N 3.29Å; I27-M29 PolarHBondContact O-N 3.44Å; M29-A32 PolarHBondContact O-N 3.39Å; M29-S33 WeakPolarHBondContact O-CB 3.18Å; M29-S33 PolarHBondContact O-N 3.45Å; M29-S33 PolarHBondContact O-OG 2.82Å
30V96.1Very high94.5Very high91 Ų9190 Ų9055%0.55248%0.476SS*.Hα-helixtrans-61.3-49.3175.8172.40000110.4T26 I27 A32 S33 A34T26-V30 WeakPolarHBondContact O-CG2 3.46Å; T26-V30 PolarHBondContact O-N 2.9Å; I27-V30 PolarHBondContact O-N 3.26Å; V30-A32 PolarHBondContact O-N 2.88Å; V30-S33 PolarHBondContact O-N 2.85Å; V30-S33 PolarHBondContact O-OG 3.26Å; V30-A34 PolarHBondContact O-N 2.96Å; V30-A34 VanDerWaalsContact O-N 3.07Å
31V96.6Very high95Very high78 Ų7891.1 Ų91.147%0.47348%0.481SS..Hα-helixtrans-61.1-45.9177.7173.70000111.2I27 S33 A34 L35I27-V31 HydrophobicContact CG2-CG2 4.42Å; I27-V31 WeakPolarHBondContact O-CG2 3.19Å; I27-V31 PolarHBondContact O-N 2.92Å; V31-S33 VanDerWaalsContact C-N 3.34Å; V31-S33 PolarHBondContact O-N 3.44Å; V31-A34 PolarHBondContact O-N 3Å; V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.3Å; V31-L35 PolarHBondContact O-N 3.07Å
32A97.7Very high95.3Very high44 Ų4485.8 Ų85.836%0.36446%0.463SS..Hα-helixtrans-60.1-42.917700000111.8A28 M29 V30 A34 L35 M36A28-A32 WeakPolarHBondContact O-CB 3.33Å; A28-A32 PolarHBondContact O-N 3.37Å; M29-A32 PolarHBondContact O-N 3.39Å; V30-A32 PolarHBondContact O-N 2.88Å; A32-A34 PolarHBondContact O-N 3.16Å; A32-L35 PolarHBondContact O-N 3.46Å; A32-M36 WeakPolarHBondContact O-CB 2.96Å; A32-M36 VanDerWaalsContact O-CG 3.29Å; A32-M36 WeakPolarHBondContact O-CG 3.34Å; A32-M36 PolarHBondContact O-N 3.28Å
33S97.4Very high95.5Very high49 Ų4986 Ų8634%0.34347%0.47SS..Hα-helixtrans-61.2-42.8177.674.60000112.7M29 V30 V31 L35 M36 I37M29-S33 WeakPolarHBondContact O-CB 3.18Å; M29-S33 PolarHBondContact O-N 3.45Å; M29-S33 PolarHBondContact O-OG 2.82Å; V30-S33 PolarHBondContact O-N 2.85Å; V30-S33 PolarHBondContact O-OG 3.26Å; V31-S33 VanDerWaalsContact C-N 3.34Å; V31-S33 PolarHBondContact O-N 3.44Å; S33-L35 PolarHBondContact O-N 3.24Å; S33-M36 PolarHBondContact O-N 3.44Å; S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.03Å
34A96Very high95.9Very high59 Ų5985.1 Ų85.149%0.48847%0.468SS..Hα-helixtrans-64-42.8177.100000111.6V30 V31 A32 I37 W38V30-A34 PolarHBondContact O-N 2.96Å; V30-A34 VanDerWaalsContact O-N 3.07Å; V31-A34 PolarHBondContact O-N 3Å; A32-A34 PolarHBondContact O-N 3.16Å; A34-I37 PolarHBondContact O-N 3.5Å; A34-W38 PolarHBondContact O-N 3.09Å
35L96.8Very high96Very high107 Ų10780.9 Ų80.956%0.5644%0.442SS*.Hα-helixtrans-65.4-37.7175.6-67176.6000112.3V31 A32 S33 W38 K39V31-L35 HydrophobicContact CG1-CD1 4.1Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.3Å; V31-L35 PolarHBondContact O-N 3.07Å; A32-L35 PolarHBondContact O-N 3.46Å; S33-L35 PolarHBondContact O-N 3.24Å; L35-W38 PolarHBondContact O-N 3.44Å; L35-K39 WeakPolarHBondContact O-CB 3.39Å; L35-K39 WeakPolarHBondContact O-CG 3.31Å; L35-K39 PolarHBondContact O-N 3.38Å
36M97.5Very high96Very high125 Ų12584.3 Ų84.362%0.61645%0.451SS*.Hα-helixtrans-64.2-43.7175.6-75.5-172.7-66.900111.7A32 S33 W38 K39 L40A32-M36 WeakPolarHBondContact O-CB 2.96Å; A32-M36 VanDerWaalsContact O-CG 3.29Å; A32-M36 WeakPolarHBondContact O-CG 3.34Å; A32-M36 PolarHBondContact O-N 3.28Å; S33-M36 PolarHBondContact O-N 3.44Å; M36-W38 VanDerWaalsContact C-N 3.35Å; M36-W38 PolarHBondContact O-N 3.31Å; M36-K39 PolarHBondContact O-N 2.8Å; M36-L40 WeakPolarHBondContact O-CB 3.37Å; M36-L40 PolarHBondContact O-N 3.35Å
37I96.8Very high96Very high107 Ų10781 Ų8155%0.54943%0.431SS..Hα-helixtrans-60.8-46175.4-67.1164.1000110.3S33 A34 K39 L40 L41S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.03Å; A34-I37 PolarHBondContact O-N 3.5Å; I37-K39 PolarHBondContact O-N 3.05Å; I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 PolarHBondContact O-N 2.97Å; I37-L41 WeakPolarHBondContact O-CG 3.18Å; I37-L41 PolarHBondContact O-N 3.44Å
38W96.2Very high95.9Very high103 Ų10384.3 Ų84.339%0.3944%0.444SS..Hα-helixtrans-60.4-46.3177-179-100.5000112.3A34 L35 M36 L40 L41 V42 P50A34-W38 PolarHBondContact O-N 3.09Å; L35-W38 PolarHBondContact O-N 3.44Å; M36-W38 VanDerWaalsContact C-N 3.35Å; M36-W38 PolarHBondContact O-N 3.31Å; W38-L40 VanDerWaalsContact C-N 3.32Å; W38-L40 PolarHBondContact O-N 2.95Å; W38-L41 WeakPolarHBondContact O-CB 3.33Å; W38-L41 PolarHBondContact O-N 2.96Å; W38-V42 WeakPolarHBondContact O-CG2 3.26Å; W38-V42 PolarHBondContact O-N 3.26Å; W38-P50 HydrophobicContact CH2-CG 4.13Å; W38-P50 HydrophobicContact CZ2-CG 4.33Å; W38-P50 HydrophobicContact CZ3-CG 4.34Å
39K96.6Very high95.8Very high131 Ų13184 Ų8457%0.5744%0.44SS*.Hα-helixtrans-64.4-36.9177.6-73.6-65.5-177.5-176.80112.4L35 M36 I37 L41 V42 I43L35-K39 WeakPolarHBondContact O-CB 3.39Å; L35-K39 WeakPolarHBondContact O-CG 3.31Å; L35-K39 PolarHBondContact O-N 3.38Å; M36-K39 PolarHBondContact O-N 2.8Å; I37-K39 PolarHBondContact O-N 3.05Å; K39-L41 VanDerWaalsContact C-N 3.35Å; K39-V42 PolarHBondContact O-N 2.84Å; K39-I43 VanDerWaalsContact O-CG1 3.28Å; K39-I43 WeakPolarHBondContact O-CG1 3.47Å; K39-I43 PolarHBondContact O-N 3.29Å
40L97Very high95.7Very high101 Ų10178 Ų7853%0.52941%0.41SS..Hα-helixtrans-60.4-44.5173.1-17962.7000111.3M36 I37 W38 V42 I43 I44M36-L40 WeakPolarHBondContact O-CB 3.37Å; M36-L40 PolarHBondContact O-N 3.35Å; I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 PolarHBondContact O-N 2.97Å; W38-L40 VanDerWaalsContact C-N 3.32Å; W38-L40 PolarHBondContact O-N 2.95Å; L40-V42 VanDerWaalsContact C-N 3.34Å; L40-V42 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 3.05Å; L40-I44 HydrophobicContact CD1-CD1 3.84Å; L40-I44 HydrophobicContact CD1-CG1 4.19Å; L40-I44 HydrophobicContact CD2-CD1 4.47Å; L40-I44 HydrophobicContact CG-CD1 3.76Å; L40-I44 HydrophobicContact CG-CG1 4.46Å; L40-I44 WeakPolarHBondContact O-CB 3.24Å; L40-I44 VanDerWaalsContact O-CG1 3.29Å; L40-I44 WeakPolarHBondContact O-CG1 3.41Å; L40-I44 PolarHBondContact O-N 2.97Å
41L95.8Very high95.7Very high57 Ų5777.2 Ų77.230%0.29840%0.402SS..Hα-helixtrans-62.1-40.1175.9-69.2173.8000112.5I37 W38 K39 S45 P50 L51I37-L41 WeakPolarHBondContact O-CG 3.18Å; I37-L41 PolarHBondContact O-N 3.44Å; W38-L41 WeakPolarHBondContact O-CB 3.33Å; W38-L41 PolarHBondContact O-N 2.96Å; K39-L41 VanDerWaalsContact C-N 3.35Å; L41-S45 WeakPolarHBondContact O-CB 3.34Å; L41-S45 PolarHBondContact O-N 3.21Å; L41-S45 PolarHBondContact O-OG 2.98Å; L41-P50 HydrophobicContact CB-CB 4.33Å; L41-P50 HydrophobicContact CB-CG 3.93Å; L41-L51 HydrophobicContact CD1-CD1 4.44Å
42V96.4Very high95.6Very high29 Ų2974.6 Ų74.618%0.17639%0.386CS..Hα-helixtrans-61.8-45.4174.9167.80000110.8W38 K39 L40 S45 Y46 S47 P50W38-V42 WeakPolarHBondContact O-CG2 3.26Å; W38-V42 PolarHBondContact O-N 3.26Å; K39-V42 PolarHBondContact O-N 2.84Å; L40-V42 VanDerWaalsContact C-N 3.34Å; L40-V42 PolarHBondContact O-N 3.44Å; V42-S45 PolarHBondContact O-OG 3.14Å; V42-Y46 WeakPolarHBondContact O-CA 3.43Å; V42-Y46 PolarHBondContact O-N 3.09Å; V42-S47 WeakPolarHBondContact CG1-O 3.42Å; V42-P50 HydrophobicContact CG2-CG 4.13Å
43I96Very high95.5Very high116 Ų11674.7 Ų74.760%0.59538%0.382SS*.Hα-helixtrans-65.2-45.9179.6-67.4164.2000111.1K39 L40 S45 Y46K39-I43 VanDerWaalsContact O-CG1 3.28Å; K39-I43 WeakPolarHBondContact O-CG1 3.47Å; K39-I43 PolarHBondContact O-N 3.29Å; L40-I43 PolarHBondContact O-N 3.05Å; I43-S45 PolarHBondContact O-N 2.98Å; I43-Y46 WeakPolarHBondContact O-CD2 3.48Å; I43-Y46 PolarHBondContact O-N 3.1Å
44I95.5Very high95.4Very high85 Ų8572.6 Ų72.644%0.43637%0.367SS..Hα-helixtrans-65.4-40.7-178.8-69.5170.3000111.5L40 Y74L40-I44 HydrophobicContact CD1-CD1 3.84Å; L40-I44 HydrophobicContact CD1-CG1 4.19Å; L40-I44 HydrophobicContact CD2-CD1 4.47Å; L40-I44 HydrophobicContact CG-CD1 3.76Å; L40-I44 HydrophobicContact CG-CG1 4.46Å; L40-I44 WeakPolarHBondContact O-CB 3.24Å; L40-I44 VanDerWaalsContact O-CG1 3.29Å; L40-I44 WeakPolarHBondContact O-CG1 3.41Å; L40-I44 PolarHBondContact O-N 2.97Å; I44-Y74 WeakPolarHBondContact O-CE1 3.22Å; I44-Y74 PolarHBondContact O-OH 3.33Å
45S94.5Very high95.3Very high0 Ų073.5 Ų73.50%036%0.364CS..Hα-helixtrans-83.1-17.7-176.965.30000114L41 V42 I43 S47 P50 L71 T72 N73L41-S45 WeakPolarHBondContact O-CB 3.34Å; L41-S45 PolarHBondContact O-N 3.21Å; L41-S45 PolarHBondContact O-OG 2.98Å; V42-S45 PolarHBondContact O-OG 3.14Å; I43-S45 PolarHBondContact O-N 2.98Å; S45-S47 PolarHBondContact O-N 3.32Å; S45-S47 VanDerWaalsContact O-N 3.15Å; S45-S47 PolarHBondContact OG-N 3.12Å; S45-S47 VanDerWaalsContact OG-N 3.15Å; S45-S47 PolarHBondContact OG-O 3.45Å; S45-P50 WeakPolarHBondContact OG-CB 3.43Å; S45-L71 VanDerWaalsContact CB-O 3.27Å; S45-L71 WeakPolarHBondContact CB-O 3.11Å; S45-T72 CarbonylContact O-C 3.41Å; S45-T72 WeakPolarHBondContact O-CA 3.34Å; S45-N73 PolarHBondContact O-N 3.49Å
46Y94.6Very high95.1Very high141 Ų14171.3 Ų71.355%0.55336%0.357SS*.THydrogen-bonded Turntrans58.713.8-168.2-72.9-107.8000114.1V42 I43 N73 Y74V42-Y46 WeakPolarHBondContact O-CA 3.43Å; V42-Y46 PolarHBondContact O-N 3.09Å; I43-Y46 WeakPolarHBondContact O-CD2 3.48Å; I43-Y46 PolarHBondContact O-N 3.1Å; Y46-N73 VanDerWaalsContact CB-O 3.27Å; Y46-N73 WeakPolarHBondContact CB-O 3.37Å; Y46-N73 WeakPolarHBondContact O-CB 3.34Å; Y46-Y74 AromaticContact CD2-CD1 3.44Å; Y46-Y74 HydrophobicContact CD2-CD1 3.44Å; Y46-Y74 VanDerWaalsContact CD2-CD1 3.44Å; Y46-Y74 AromaticContact CD2-CE1 3.35Å; Y46-Y74 HydrophobicContact CD2-CE1 3.35Å; Y46-Y74 AromaticContact CE2-CD1 3.87Å; Y46-Y74 HydrophobicContact CE2-CD1 3.87Å; Y46-Y74 AromaticContact CE2-CE1 3.76Å; Y46-Y74 HydrophobicContact CE2-CE1 3.76Å; Y46-Y74 HydrophobicContact CG-CD1 4Å; Y46-Y74 HydrophobicContact CG-CE1 4.28Å
47S93.2Very high94.9Very high1 Ų166.6 Ų66.61%0.00734%0.34CS..  trans-110.9137.8178.4-175.20000110.4V42 S45 S49 I141V42-S47 WeakPolarHBondContact CG1-O 3.42Å; S45-S47 PolarHBondContact O-N 3.32Å; S45-S47 VanDerWaalsContact O-N 3.15Å; S45-S47 PolarHBondContact OG-N 3.12Å; S45-S47 VanDerWaalsContact OG-N 3.15Å; S45-S47 PolarHBondContact OG-O 3.45Å; S47-S49 PolarHBondContact O-N 3.29Å; S47-S49 PolarHBondContact OG-N 2.89Å; S47-I141 WeakPolarHBondContact CB-O 3.22Å; S47-I141 PolarHBondContact OG-O 3.27Å
48E90.7Very high94.7Very high166 Ų16662.2 Ų62.278%0.77632%0.319SS*.SBendtrans-63.8-23.7173.8-62.4-175.5175.200112.6
49S93.3Very high94.7Very high47 Ų4757.3 Ų57.333%0.32930%0.301SS..  trans-131.276179.7-640000109.9S47 L51 L71S47-S49 PolarHBondContact O-N 3.29Å; S47-S49 PolarHBondContact OG-N 2.89Å; S49-L51 PolarHBondContact O-N 2.99Å; S49-L51 VanDerWaalsContact O-N 3.17Å; S49-L71 WeakPolarHBondContact O-CD1 3.2Å
50P94.8Very high94.6Very high0 Ų054.6 Ų54.60%029%0.29CS..SBendtrans-63-22.8-174.823-33.6000114.1W38 L41 V42 S45 Y70 L71W38-P50 HydrophobicContact CH2-CG 4.13Å; W38-P50 HydrophobicContact CZ2-CG 4.33Å; W38-P50 HydrophobicContact CZ3-CG 4.34Å; L41-P50 HydrophobicContact CB-CB 4.33Å; L41-P50 HydrophobicContact CB-CG 3.93Å; V42-P50 HydrophobicContact CG2-CG 4.13Å; S45-P50 WeakPolarHBondContact OG-CB 3.43Å; P50-Y70 CarbonylContact O-C 3.6Å; P50-Y70 WeakPolarHBondContact O-CA 3.47Å; P50-Y70 WeakPolarHBondContact O-CD2 3.38Å; P50-L71 PolarHBondContact O-N 3.26Å
51L95.4Very high94.4Very high75 Ų7555.1 Ų55.139%0.39330%0.299SS..EExtended strand (participates in β ladder)trans-127.8124.6-179.4-64.3173.5000108.9L41 S49 V68 L69 Y70L41-L51 HydrophobicContact CD1-CD1 4.44Å; S49-L51 PolarHBondContact O-N 2.99Å; S49-L51 VanDerWaalsContact O-N 3.17Å; L51-V68 HydrophobicContact CB-CG1 4.38Å; L51-V68 HydrophobicContact CD2-CG1 4.24Å; L51-L69 WeakPolarHBondContact CA-O 3.27Å; L51-Y70 HydrophobicContact CD2-CD2 4.1Å
52V95.1Very high94.3Very high24 Ų2454 Ų5415%0.14530%0.299CS..EExtended strand (participates in β ladder)trans-131.6147.7177.1-61.10000110.8V68 L69 L71 V86V52-V68 CarbonylContact O-C 3.55Å; V52-V68 WeakPolarHBondContact O-CA 3.35Å; V52-L69 HydrophobicContact CG2-CB 3.84Å; V52-L69 HydrophobicContact CG2-CD1 4.31Å; V52-L69 HydrophobicContact CG2-CG 4.36Å; V52-L69 PolarHBondContact N-O 2.95Å; V52-L69 PolarHBondContact O-N 2.96Å; V52-L71 HydrophobicContact CB-CD1 4.42Å; V52-L71 HydrophobicContact CG1-CD1 3.69Å; V52-L71 HydrophobicContact CG1-CG 4.38Å; V52-L71 HydrophobicContact CG2-CD1 3.82Å; V52-L71 HydrophobicContact CG2-CD2 3.97Å; V52-L71 HydrophobicContact CG2-CG 3.94Å; V52-V86 HydrophobicContact CG2-CG2 4.23Å
53V96Very high94.2Very high45 Ų4553.3 Ų53.327%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-100.2132.7178.9-178.10000109.7L55 V68 I156V53-L55 HydrophobicContact CG1-CD2 4.31Å; V53-L55 PolarHBondContact O-N 2.86Å; V53-V68 HydrophobicContact CG2-CG2 4.35Å; V53-I156 HydrophobicContact CG1-CD1 3.93Å; V53-I156 HydrophobicContact CG1-CG1 4.08Å
54V95.6Very high94.2Very high5 Ų551 Ų513%0.0328%0.28CS..  trans-74.8117.6174.4-179.80000109.6S56 F63 H64 G66 D67 L69V54-S56 WeakPolarHBondContact CG1-O 3.49Å; V54-F63 HydrophobicContact CG2-CB 4.32Å; V54-H64 WeakPolarHBondContact CB-O 3.39Å; V54-H64 WeakPolarHBondContact CG1-O 3.32Å; V54-G66 PolarHBondContact O-N 2.88Å; V54-D67 HydrophobicContact CB-CB 4.48Å; V54-D67 HydrophobicContact CG2-CB 4.22Å; V54-D67 PolarHBondContact N-O 3.39Å; V54-L69 HydrophobicContact CG2-CD1 3.73Å; V54-L69 HydrophobicContact CG2-CD2 3.96Å; V54-L69 HydrophobicContact CG2-CG 3.68Å
55L93.8Very high94.1Very high79 Ų7951.3 Ų51.341%0.41428%0.275SS..  trans-97.1-17.8-177.2-58.8178.6000113.6V53 R65 I94 I156V53-L55 HydrophobicContact CG1-CD2 4.31Å; V53-L55 PolarHBondContact O-N 2.86Å; L55-R65 PolarHBondContact O-NH1 3.28Å; L55-I94 HydrophobicContact CD1-CG2 4.04Å; L55-I156 HydrophobicContact CD2-CD1 4.05Å; L55-I156 HydrophobicContact CD2-CG1 3.83Å
56S91.9Very high94.2Very high61 Ų6151.3 Ų51.343%0.42728%0.275SS..SBendtrans-131.9154.6-174.157.40000112.7V54 S58V54-S56 WeakPolarHBondContact CG1-O 3.49Å; S56-S58 PolarHBondContact O-N 3.13Å; S56-S58 PolarHBondContact OG-OG 2.99Å
57G93.2Very high94.3Very high25 Ų2544.6 Ų44.626%0.25825%0.249SC..G310 helixtrans-84.425.9175.300000114.7M59 E60 N119G57-M59 PolarHBondContact O-N 2.63Å; G57-E60 PolarHBondContact O-N 2.89Å; G57-N119 PolarHBondContact O-ND2 2.9Å; G57-N119 VanDerWaalsContact O-ND2 3.1Å
58S93.1Very high94.5Very high16 Ų1645.5 Ų45.511%0.11226%0.255CS..G310 helixtrans-72.9-17-178.656.90000113.4S56 H98 G117 D118 N119 N120S56-S58 PolarHBondContact O-N 3.13Å; S56-S58 PolarHBondContact OG-OG 2.99Å; S58-H98 WeakPolarHBondContact CB-NE2 3.43Å; S58-H98 PolarHBondContact OG-NE2 3.4Å; S58-H98 VanDerWaalsContact OG-NE2 3.12Å; S58-G117 CarbonylContact O-C 3.59Å; S58-G117 WeakPolarHBondContact O-CA 3.4Å; S58-D118 PolarHBondContact O-N 3.05Å; S58-D118 VanDerWaalsContact O-N 3.13Å; S58-N119 WeakPolarHBondContact O-CB 3.47Å; S58-N119 PolarHBondContact O-N 3.13Å; S58-N120 WeakPolarHBondContact CB-OD1 3.4Å
59M95.3Very high94.8Very high0 Ų037.6 Ų37.60%022%0.218CC..G310 helixtrans-106.612178.6-72.4-61.4-6800113.1G57 A62 F63 I84 V97 H98 R99 D118G57-M59 PolarHBondContact O-N 2.63Å; M59-A62 WeakPolarHBondContact O-CA 3.32Å; M59-A62 WeakPolarHBondContact O-CB 3.41Å; M59-A62 PolarHBondContact O-N 3.29Å; M59-F63 CarbonylContact C-O 3.26Å; M59-F63 HydrophobicContact CB-CB 4.03Å; M59-F63 HydrophobicContact CB-CD2 4.01Å; M59-F63 HydrophobicContact CB-CG 4.5Å; M59-F63 HydrophobicContact CE-CD2 4.23Å; M59-F63 HydrophobicContact CE-CE2 4.43Å; M59-F63 HydrophobicContact CG-CD2 4.45Å; M59-F63 PolarHBondContact O-N 2.98Å; M59-I84 HydrophobicContact CE-CD1 3.95Å; M59-I84 HydrophobicContact CE-CG1 4.03Å; M59-I84 HydrophobicContact CE-CG2 3.91Å; M59-V97 HydrophobicContact CG-CG1 4.2Å; M59-V97 VanDerWaalsContact CG-O 3.27Å; M59-V97 WeakPolarHBondContact CG-O 3.42Å; M59-H98 HydrophobicContact SD-CB 4.42Å; M59-R99 HydrophobicContact CE-CB 4.36Å; M59-D118 HydrophobicContact CE-CB 4.5Å; M59-D118 WeakPolarHBondContact CE-OD2 3.21Å; M59-D118 HydrophobicContact SD-CB 4.29Å
60E95Very high95Very high73 Ų7338.8 Ų38.834%0.34122%0.215SC..THydrogen-bonded Turntrans-66.2145.7174.7-71.6178.2-171.300111G57 F63 N119G57-E60 PolarHBondContact O-N 2.89Å; E60-F63 WeakPolarHBondContact CG-O 3.47Å; E60-F63 PolarHBondContact N-O 2.76Å; E60-N119 HydrophobicContact CB-CB 4.43Å; E60-N119 WeakPolarHBondContact O-CB 3.17Å
61P93.3Very high95Very high112 Ų11238.8 Ų38.873%0.72722%0.215SC*.THydrogen-bonded Turncis-85.81.30.835.8-36.7000114.2H64P61-H64 PolarHBondContact O-CE1 3.45Å; P61-H64 VanDerWaalsContact O-CE1 3.29Å
62A93Very high95.1Very high34 Ų3435.2 Ų35.228%0.28120%0.197SC..THydrogen-bonded Turntrans-67-41.8-175.100000112.4M59M59-A62 WeakPolarHBondContact O-CA 3.32Å; M59-A62 WeakPolarHBondContact O-CB 3.41Å; M59-A62 PolarHBondContact O-N 3.29Å
63F95.1Very high95.1Very high15 Ų1536.3 Ų36.37%0.06620%0.202CC..SBendtrans-134.1138.6174.5-57.3-52.6000111V54 M59 E60 L69 I84 A144 F147V54-F63 HydrophobicContact CG2-CB 4.32Å; M59-F63 CarbonylContact C-O 3.26Å; M59-F63 HydrophobicContact CB-CB 4.03Å; M59-F63 HydrophobicContact CB-CD2 4.01Å; M59-F63 HydrophobicContact CB-CG 4.5Å; M59-F63 HydrophobicContact CE-CD2 4.23Å; M59-F63 HydrophobicContact CE-CE2 4.43Å; M59-F63 HydrophobicContact CG-CD2 4.45Å; M59-F63 PolarHBondContact O-N 2.98Å; E60-F63 WeakPolarHBondContact CG-O 3.47Å; E60-F63 PolarHBondContact N-O 2.76Å; F63-L69 HydrophobicContact CD1-CD2 3.67Å; F63-L69 HydrophobicContact CD2-CD1 4.36Å; F63-L69 HydrophobicContact CD2-CD2 4.13Å; F63-L69 HydrophobicContact CE1-CD2 3.69Å; F63-L69 HydrophobicContact CE2-CD1 4.32Å; F63-L69 HydrophobicContact CE2-CD2 4.08Å; F63-L69 HydrophobicContact CG-CD2 3.92Å; F63-L69 HydrophobicContact CZ-CD2 3.9Å; F63-I84 HydrophobicContact CD2-CD1 4.32Å; F63-I84 HydrophobicContact CE2-CB 4.36Å; F63-I84 HydrophobicContact CE2-CD1 3.32Å; F63-I84 HydrophobicContact CE2-CG1 4.36Å; F63-I84 HydrophobicContact CE2-CG2 3.82Å; F63-I84 HydrophobicContact CZ-CD1 3.66Å; F63-A144 HydrophobicContact CZ-CB 4.42Å; F63-F147 HydrophobicContact CD1-CB 4.35Å; F63-F147 HydrophobicContact CD1-CD1 4.03Å; F63-F147 HydrophobicContact CD1-CD2 4.24Å; F63-F147 HydrophobicContact CD1-CE1 4.33Å; F63-F147 AromaticContact CD1-CG 3.96Å; F63-F147 HydrophobicContact CD1-CG 3.96Å; F63-F147 HydrophobicContact CE1-CB 4.08Å; F63-F147 AromaticContact CE1-CD1 3.47Å; F63-F147 HydrophobicContact CE1-CD1 3.47Å; F63-F147 VanDerWaalsContact CE1-CD1 3.47Å; F63-F147 HydrophobicContact CE1-CD2 4.47Å; F63-F147 AromaticContact CE1-CE1 3.92Å; F63-F147 HydrophobicContact CE1-CE1 3.92Å; F63-F147 AromaticContact CE1-CG 3.77Å; F63-F147 HydrophobicContact CE1-CG 3.77Å
64H95.4Very high94.9Very high66 Ų6637 Ų3731%0.30620%0.2SC..  trans-104.7159.4177.9-59.486.2000110.5V54 P61 G66 D67V54-H64 WeakPolarHBondContact CB-O 3.39Å; V54-H64 WeakPolarHBondContact CG1-O 3.32Å; P61-H64 PolarHBondContact O-CE1 3.45Å; P61-H64 VanDerWaalsContact O-CE1 3.29Å; H64-G66 PolarHBondContact O-N 3.22Å; H64-D67 PolarHBondContact N-OD2 3.39Å; H64-D67 WeakPolarHBondContact O-CB 3.43Å; H64-D67 VanDerWaalsContact O-CG 3.24Å; H64-D67 PolarHBondContact O-N 3.47Å; H64-D67 VanDerWaalsContact O-N 3.13Å
65R94.8Very high94.5Very high92 Ų9241.6 Ų41.635%0.34723%0.23SC..THydrogen-bonded Turntrans-58.8128.4172.6176.5176.6164.4120.6-11.7110.5L55 I156 E160L55-R65 PolarHBondContact O-NH1 3.28Å; R65-I156 HydrophobicContact CG-CD1 3.99Å; R65-E160 IonicContact CZ-OE1 3.01Å; R65-E160 IonicContact NH1-OE1 3.74Å; R65-E160 IonicContact NH2-OE1 4Å; R65-E160 PolarHBondContact NH2-OE1 2.73Å; R65-E160 IonicContact NH2-OE2 3.26Å; R65-E160 PolarHBondContact NH2-OE2 3.2Å
66G95.5Very high94.2Very high0 Ų045.3 Ų45.30%025%0.25CS..THydrogen-bonded Turntrans93.80.9-17700000114.7V54 H64 Y150 V151 G152V54-G66 PolarHBondContact O-N 2.88Å; H64-G66 PolarHBondContact O-N 3.22Å; G66-Y150 CarbonylContact O-C 3.52Å; G66-Y150 VanDerWaalsContact O-C 3.26Å; G66-Y150 WeakPolarHBondContact O-CA 3.38Å; G66-V151 PolarHBondContact O-N 2.94Å; G66-G152 CarbonylContact O-C 3.51Å; G66-G152 WeakPolarHBondContact O-CA 3.22Å; G66-G152 PolarHBondContact O-N 2.86Å
67D97.4Very high94Very high0 Ų045.6 Ų45.60%025%0.245CC..PPolyproline II helixtrans-72.3142.6170-65.7-10.8000110.3V54 H64 F147 P149 Y150V54-D67 HydrophobicContact CB-CB 4.48Å; V54-D67 HydrophobicContact CG2-CB 4.22Å; V54-D67 PolarHBondContact N-O 3.39Å; H64-D67 PolarHBondContact N-OD2 3.39Å; H64-D67 WeakPolarHBondContact O-CB 3.43Å; H64-D67 VanDerWaalsContact O-CG 3.24Å; H64-D67 PolarHBondContact O-N 3.47Å; H64-D67 VanDerWaalsContact O-N 3.13Å; D67-F147 HydrophobicContact CB-CD2 4.2Å; D67-P149 WeakPolarHBondContact OD1-CA 3.2Å; D67-Y150 PolarHBondContact OD1-N 3.18Å
68V97Very high93.9Very high21 Ų2147.9 Ų47.913%0.12726%0.255CS..EExtended strand (participates in β ladder)trans-101117.5173.7-176.60000108.3L51 V52 V53 F147 I148 V151L51-V68 HydrophobicContact CB-CG1 4.38Å; L51-V68 HydrophobicContact CD2-CG1 4.24Å; V52-V68 CarbonylContact O-C 3.55Å; V52-V68 WeakPolarHBondContact O-CA 3.35Å; V53-V68 HydrophobicContact CG2-CG2 4.35Å; V68-F147 CarbonylContact O-C 3.51Å; V68-F147 WeakPolarHBondContact O-CA 3.49Å; V68-F147 WeakPolarHBondContact O-CB 3.44Å; V68-I148 PolarHBondContact N-O 3.48Å; V68-I148 PolarHBondContact O-N 3.18Å; V68-V151 HydrophobicContact CG2-CB 4.06Å; V68-V151 HydrophobicContact CG2-CG1 4.18Å
69L96.7Very high93.8Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-92.6133.9178.4-50.1-178.5000110.5L51 V52 V54 F63 L71 V97 A144 F147L51-L69 WeakPolarHBondContact CA-O 3.27Å; V52-L69 HydrophobicContact CG2-CB 3.84Å; V52-L69 HydrophobicContact CG2-CD1 4.31Å; V52-L69 HydrophobicContact CG2-CG 4.36Å; V52-L69 PolarHBondContact N-O 2.95Å; V52-L69 PolarHBondContact O-N 2.96Å; V54-L69 HydrophobicContact CG2-CD1 3.73Å; V54-L69 HydrophobicContact CG2-CD2 3.96Å; V54-L69 HydrophobicContact CG2-CG 3.68Å; F63-L69 HydrophobicContact CD1-CD2 3.67Å; F63-L69 HydrophobicContact CD2-CD1 4.36Å; F63-L69 HydrophobicContact CD2-CD2 4.13Å; F63-L69 HydrophobicContact CE1-CD2 3.69Å; F63-L69 HydrophobicContact CE2-CD1 4.32Å; F63-L69 HydrophobicContact CE2-CD2 4.08Å; F63-L69 HydrophobicContact CG-CD2 3.92Å; F63-L69 HydrophobicContact CZ-CD2 3.9Å; L69-L71 HydrophobicContact CB-CD2 4.05Å; L69-V97 HydrophobicContact CD1-CB 4.26Å; L69-V97 HydrophobicContact CD1-CG1 4.08Å; L69-V97 HydrophobicContact CD1-CG2 3.65Å; L69-A144 HydrophobicContact CB-CB 4.32Å; L69-A144 HydrophobicContact CD1-CB 4.18Å; L69-F147 HydrophobicContact CD2-CB 3.53Å; L69-F147 HydrophobicContact CD2-CG 4.47Å
70Y96.8Very high93.8Very high71 Ų7156 Ų5628%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-89.4119.9167.3175.8-114.8000110P50 L51 T72 A144 R145 G146P50-Y70 CarbonylContact O-C 3.6Å; P50-Y70 WeakPolarHBondContact O-CA 3.47Å; P50-Y70 WeakPolarHBondContact O-CD2 3.38Å; L51-Y70 HydrophobicContact CD2-CD2 4.1Å; Y70-T72 HydrophobicContact CD1-CG2 4.2Å; Y70-T72 HydrophobicContact CE1-CG2 3.45Å; Y70-T72 VanDerWaalsContact CE1-CG2 3.45Å; Y70-A144 WeakPolarHBondContact O-CA 3.5Å; Y70-R145 HydrophobicContact CD1-CB 4.39Å; Y70-R145 PolarHBondContact O-N 2.94Å; Y70-G146 PolarHBondContact N-O 3.3Å
71L96.7Very high93.8Very high0 Ų056.9 Ų56.90%030%0.295CS..EExtended strand (participates in β ladder)trans-102.8145.9-176.4-53.7-168.2000111.8S45 S49 P50 V52 L69 V86 I141 R143 A144S45-L71 VanDerWaalsContact CB-O 3.27Å; S45-L71 WeakPolarHBondContact CB-O 3.11Å; S49-L71 WeakPolarHBondContact O-CD1 3.2Å; P50-L71 PolarHBondContact O-N 3.26Å; V52-L71 HydrophobicContact CB-CD1 4.42Å; V52-L71 HydrophobicContact CG1-CD1 3.69Å; V52-L71 HydrophobicContact CG1-CG 4.38Å; V52-L71 HydrophobicContact CG2-CD1 3.82Å; V52-L71 HydrophobicContact CG2-CD2 3.97Å; V52-L71 HydrophobicContact CG2-CG 3.94Å; L69-L71 HydrophobicContact CB-CD2 4.05Å; L71-V86 HydrophobicContact CD1-CB 3.7Å; L71-V86 HydrophobicContact CD1-CG1 4.02Å; L71-V86 HydrophobicContact CD1-CG2 3.56Å; L71-V86 HydrophobicContact CD2-CB 4.44Å; L71-V86 HydrophobicContact CD2-CG2 3.51Å; L71-V86 HydrophobicContact CG-CG2 4.2Å; L71-I141 HydrophobicContact CD1-CG2 4.25Å; L71-R143 CarbonylContact C-O 3.53Å; L71-R143 VanDerWaalsContact CA-O 3.25Å; L71-R143 WeakPolarHBondContact CA-O 3.39Å; L71-A144 HydrophobicContact CD2-CB 3.99Å
72T96.1Very high94Very high0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans-138145.6170.864.20000111.6S45 Y70 Y74 R143 R145S45-T72 CarbonylContact O-C 3.41Å; S45-T72 WeakPolarHBondContact O-CA 3.34Å; Y70-T72 HydrophobicContact CD1-CG2 4.2Å; Y70-T72 HydrophobicContact CE1-CG2 3.45Å; Y70-T72 VanDerWaalsContact CE1-CG2 3.45Å; T72-Y74 VanDerWaalsContact CB-CE2 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.85Å; T72-R143 PolarHBondContact N-O 2.68Å; T72-R143 PolarHBondContact O-N 3Å; T72-R145 HydrophobicContact CG2-CG 4.34Å; T72-R145 WeakPolarHBondContact OG1-CD 3.33Å; T72-R145 WeakPolarHBondContact OG1-CG 3.27Å; T72-R145 PolarHBondContact OG1-NE 3.07Å
73N94.6Very high94.1Very high47 Ų4753.3 Ų53.325%0.25127%0.272SS..  trans-136.858.1-178.1-165.623.8000112.2S45 Y46 L140S45-N73 PolarHBondContact O-N 3.49Å; Y46-N73 VanDerWaalsContact CB-O 3.27Å; Y46-N73 WeakPolarHBondContact CB-O 3.37Å; Y46-N73 WeakPolarHBondContact O-CB 3.34Å; N73-L140 WeakPolarHBondContact OD1-CD2 3.41Å
74Y92.9Very high94.2Very high60 Ų6053.6 Ų53.624%0.23527%0.274CS..  trans-69.5126.8179.9-60-72000111.4I44 Y46 T72 N76 E77 R143 R145I44-Y74 WeakPolarHBondContact O-CE1 3.22Å; I44-Y74 PolarHBondContact O-OH 3.33Å; Y46-Y74 AromaticContact CD2-CD1 3.44Å; Y46-Y74 HydrophobicContact CD2-CD1 3.44Å; Y46-Y74 VanDerWaalsContact CD2-CD1 3.44Å; Y46-Y74 AromaticContact CD2-CE1 3.35Å; Y46-Y74 HydrophobicContact CD2-CE1 3.35Å; Y46-Y74 AromaticContact CE2-CD1 3.87Å; Y46-Y74 HydrophobicContact CE2-CD1 3.87Å; Y46-Y74 AromaticContact CE2-CE1 3.76Å; Y46-Y74 HydrophobicContact CE2-CE1 3.76Å; Y46-Y74 HydrophobicContact CG-CD1 4Å; Y46-Y74 HydrophobicContact CG-CE1 4.28Å; T72-Y74 VanDerWaalsContact CB-CE2 3.49Å; T72-Y74 HydrophobicContact CG2-CE2 3.85Å; Y74-N76 VanDerWaalsContact C-N 3.25Å; Y74-N76 PolarHBondContact O-N 3.47Å; Y74-E77 PolarHBondContact O-N 3.07Å; Y74-R143 PolarHBondContact O-NH2 3.26Å; Y74-R145 VanDerWaalsContact CD2-NH2 3.3Å
75P87.3Confident94.2Very high102 Ų10250.4 Ų50.466%0.66226%0.259SS*.THydrogen-bonded Turntrans-66-26.5-176.225.2-34.4000113.4E77P75-E77 VanDerWaalsContact C-N 3.32Å
76N87.4Confident94.3Very high156 Ų15646.1 Ų46.183%0.83424%0.243SC*.THydrogen-bonded Turntrans-86.4-2.1-177.6-61.9-18.3000113.5Y74Y74-N76 VanDerWaalsContact C-N 3.25Å; Y74-N76 PolarHBondContact O-N 3.47Å
77E88.3Confident94.2Very high68 Ų6846.1 Ų46.132%0.31824%0.243SC..SBendtrans-107.3108.9-176.9-178.8-169.8-157.900109.1Y74 P75 R143 R145Y74-E77 PolarHBondContact O-N 3.07Å; P75-E77 VanDerWaalsContact C-N 3.32Å; E77-R143 VanDerWaalsContact CD-CZ 3.42Å; E77-R143 VanDerWaalsContact CD-NH2 3.31Å; E77-R143 PolarHBondContact O-NH1 2.59Å; E77-R143 PolarHBondContact O-NH2 3.01Å; E77-R143 IonicContact OE2-CZ 3.11Å; E77-R143 IonicContact OE2-NE 3.7Å; E77-R143 IonicContact OE2-NH1 3.65Å; E77-R143 IonicContact OE2-NH2 2.67Å; E77-R143 PolarHBondContact OE2-NH2 2.88Å; E77-R145 IonicContact OE1-CZ 3.71Å; E77-R145 IonicContact OE1-NE 3.37Å; E77-R145 IonicContact OE1-NH2 3.42Å; E77-R145 PolarHBondContact OE1-NH2 3.05Å; E77-R145 IonicContact OE2-CZ 2.83Å; E77-R145 IonicContact OE2-NH2 2.68Å; E77-R145 PolarHBondContact OE2-NH2 3.42Å
78P89.6Confident94.1Very high73 Ų7350.7 Ų50.747%0.47426%0.263SS..  trans-66145.4-176.627.7-34.6000111.1R143P78-R143 PolarHBondContact O-NH1 3.24Å
79I92.6Very high93.8Very high16 Ų1650 Ų508%0.08226%0.258CS..  trans-68138172.7-57.5171.5000108.1V100 L103 F113 P137 L140I79-V100 HydrophobicContact CG2-CG2 3.99Å; I79-L103 HydrophobicContact CB-CD1 4.06Å; I79-L103 HydrophobicContact CG2-CD1 4.04Å; I79-L103 WeakPolarHBondContact O-CD1 3.44Å; I79-F113 HydrophobicContact CD1-CD1 3.96Å; I79-F113 HydrophobicContact CD1-CE1 3.56Å; I79-F113 HydrophobicContact CD1-CZ 4.2Å; I79-P137 HydrophobicContact CD1-CG 4.32Å; I79-L140 HydrophobicContact CD1-CD2 3.88Å; I79-L140 HydrophobicContact CG1-CD2 4.3Å
80R93.9Very high93.3Very high169 Ų16957.2 Ų57.264%0.63829%0.292SS*.  trans-123.2157.3177.9-66.4179.1177.3165.2-0111.3G82 D83R80-G82 PolarHBondContact O-N 3.38Å; R80-D83 PolarHBondContact N-OD2 2.91Å; R80-D83 WeakPolarHBondContact O-CB 3.29Å; R80-D83 PolarHBondContact O-N 3.44Å
81V96.4Very high92.7Very high92 Ų9257.9 Ų57.956%0.55832%0.32SS*.THydrogen-bonded Turntrans-62.5132.5168.5177.20000108.6L101 L103V81-L101 VanDerWaalsContact CG1-O 3.31Å; V81-L101 WeakPolarHBondContact CG1-O 3.47Å; V81-L103 HydrophobicContact CG2-CB 3.87Å
82G95.8Very high92.2Very high30 Ų3062.5 Ų62.531%0.30934%0.338SS..THydrogen-bonded Turntrans97.7-16.1-175.100000114.6R80 R99 V100R80-G82 PolarHBondContact O-N 3.38Å; G82-R99 WeakPolarHBondContact O-CG 3.09Å; G82-R99 PolarHBondContact O-NH1 3.45Å; G82-V100 PolarHBondContact N-O 3.42Å
83D96Very high91.7Very high41 Ų4170 Ų7022%0.21937%0.373CS..  trans-61.7143.8175-73.1-5.6000110.6R80 V85 R99 V100R80-D83 PolarHBondContact N-OD2 2.91Å; R80-D83 WeakPolarHBondContact O-CB 3.29Å; R80-D83 PolarHBondContact O-N 3.44Å; D83-V85 HydrophobicContact CB-CG1 4.39Å; D83-R99 CarbonylContact O-C 3.55Å; D83-R99 WeakPolarHBondContact O-CA 3.47Å; D83-V100 HydrophobicContact CB-CG2 4.27Å; D83-V100 PolarHBondContact O-N 2.86Å
84I96.5Very high91.5Very high21 Ų2172.9 Ų72.911%0.10839%0.387CS..EExtended strand (participates in β ladder)trans-99.1112.7173.5-56.9171.5000108.3M59 F63 V97 R143 A144M59-I84 HydrophobicContact CE-CD1 3.95Å; M59-I84 HydrophobicContact CE-CG1 4.03Å; M59-I84 HydrophobicContact CE-CG2 3.91Å; F63-I84 HydrophobicContact CD2-CD1 4.32Å; F63-I84 HydrophobicContact CE2-CB 4.36Å; F63-I84 HydrophobicContact CE2-CD1 3.32Å; F63-I84 HydrophobicContact CE2-CG1 4.36Å; F63-I84 HydrophobicContact CE2-CG2 3.82Å; F63-I84 HydrophobicContact CZ-CD1 3.66Å; I84-V97 HydrophobicContact CG2-CG2 3.52Å; I84-R143 CarbonylContact O-C 3.46Å; I84-R143 VanDerWaalsContact O-CA 3.27Å; I84-R143 WeakPolarHBondContact O-CA 3.17Å; I84-A144 HydrophobicContact CB-CB 4.23Å; I84-A144 HydrophobicContact CG2-CB 4.13Å; I84-A144 PolarHBondContact O-N 3.29Å
85V96.1Very high91.6Very high0 Ų072.5 Ų72.50%039%0.392CS..EExtended strand (participates in β ladder)trans-110.7140.4-172-69.50000110.5D83 F87 V97 H98 V100 F113 T115 L140 R143D83-V85 HydrophobicContact CB-CG1 4.39Å; V85-F87 HydrophobicContact CG2-CD1 4.32Å; V85-V97 WeakPolarHBondContact O-CA 3.27Å; V85-H98 WeakPolarHBondContact CG2-O 2.95Å; V85-H98 PolarHBondContact N-O 3.39Å; V85-H98 PolarHBondContact O-N 3.44Å; V85-V100 HydrophobicContact CB-CG2 4.37Å; V85-V100 HydrophobicContact CG1-CG2 3.68Å; V85-V100 HydrophobicContact CG2-CG2 3.72Å; V85-F113 HydrophobicContact CG2-CE2 4.17Å; V85-T115 HydrophobicContact CG2-CG2 3.43Å; V85-T115 VanDerWaalsContact CG2-CG2 3.43Å; V85-L140 HydrophobicContact CB-CD1 3.51Å; V85-L140 HydrophobicContact CG1-CD1 3.62Å; V85-R143 HydrophobicContact CG1-CG 3.97Å
86V96.3Very high91.9Very high2 Ų268.8 Ų68.81%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-103.5120.1168.6-177.70000107.8V52 L71 P95 I96 V97 I141 G142V52-V86 HydrophobicContact CG2-CG2 4.23Å; L71-V86 HydrophobicContact CD1-CB 3.7Å; L71-V86 HydrophobicContact CD1-CG1 4.02Å; L71-V86 HydrophobicContact CD1-CG2 3.56Å; L71-V86 HydrophobicContact CD2-CB 4.44Å; L71-V86 HydrophobicContact CD2-CG2 3.51Å; L71-V86 HydrophobicContact CG-CG2 4.2Å; V86-P95 HydrophobicContact CG1-CB 3.83Å; V86-P95 HydrophobicContact CG1-CG 4.41Å; V86-I96 CarbonylContact C-O 3.55Å; V86-I96 VanDerWaalsContact CA-O 3.3Å; V86-I96 WeakPolarHBondContact CA-O 3.35Å; V86-V97 HydrophobicContact CG2-CB 3.84Å; V86-V97 HydrophobicContact CG2-CG2 3.5Å; V86-V97 VanDerWaalsContact CG2-CG2 3.5Å; V86-I141 HydrophobicContact CG1-CB 4.28Å; V86-I141 HydrophobicContact CG1-CD1 4.16Å; V86-I141 PolarHBondContact O-N 2.82Å; V86-G142 PolarHBondContact N-O 2.9Å; V86-G142 PolarHBondContact O-N 3.13Å
87F95Very high92.3Very high0 Ų062.2 Ų62.20%033%0.332CS..EExtended strand (participates in β ladder)trans-129.7150.3-178.463.6-83.6000111.3V85 I89 P95 I96 H98 T115 Y128 L135 H139V85-F87 HydrophobicContact CG2-CD1 4.32Å; F87-I89 HydrophobicContact CD2-CD1 4.36Å; F87-I89 HydrophobicContact CD2-CG1 3.81Å; F87-I89 HydrophobicContact CE2-CD1 3.69Å; F87-I89 HydrophobicContact CE2-CG1 3.66Å; F87-P95 WeakPolarHBondContact O-CA 3.4Å; F87-I96 WeakPolarHBondContact CD1-O 3.43Å; F87-I96 HydrophobicContact CE1-CB 4.05Å; F87-I96 HydrophobicContact CE1-CG2 4.06Å; F87-I96 HydrophobicContact CE2-CB 4.27Å; F87-I96 HydrophobicContact CE2-CD1 4.48Å; F87-I96 HydrophobicContact CZ-CB 3.88Å; F87-I96 HydrophobicContact CZ-CD1 4.47Å; F87-I96 HydrophobicContact CZ-CG2 3.95Å; F87-I96 PolarHBondContact N-O 2.85Å; F87-I96 PolarHBondContact O-N 2.75Å; F87-H98 HydrophobicContact CE1-CB 4.39Å; F87-T115 HydrophobicContact CD1-CG2 4.42Å; F87-T115 HydrophobicContact CE1-CG2 4.07Å; F87-T115 WeakPolarHBondContact CE1-OG1 3.37Å; F87-T115 WeakPolarHBondContact CZ-OG1 3.4Å; F87-Y128 HydrophobicContact CE2-CD1 4.19Å; F87-Y128 AromaticContact CE2-CE1 3.9Å; F87-Y128 HydrophobicContact CE2-CE1 3.9Å; F87-Y128 HydrophobicContact CZ-CE1 4.02Å; F87-L135 HydrophobicContact CB-CD1 4.49Å; F87-L135 HydrophobicContact CD1-CD1 3.95Å; F87-L135 HydrophobicContact CD2-CD1 3.65Å; F87-L135 HydrophobicContact CD2-CD2 3.74Å; F87-L135 HydrophobicContact CD2-CG 4.38Å; F87-L135 HydrophobicContact CE1-CD1 4.01Å; F87-L135 HydrophobicContact CE2-CD1 3.69Å; F87-L135 HydrophobicContact CE2-CD2 4.07Å; F87-L135 HydrophobicContact CE2-CG 4.5Å; F87-L135 HydrophobicContact CG-CD1 3.78Å; F87-L135 HydrophobicContact CG-CD2 4.41Å; F87-L135 HydrophobicContact CZ-CD1 3.88Å; F87-H139 WeakPolarHBondContact CA-O 3.38Å; F87-H139 VanDerWaalsContact CB-O 3.31Å; F87-H139 WeakPolarHBondContact CB-O 3.45Å
88K93.8Very high92.8Very high96 Ų9659.1 Ų59.142%0.41732%0.318SS..  trans-104.2136.7173.8-168171.6-178.5175.60109.4R92 H139 I141K88-R92 WeakPolarHBondContact CE-O 3.43Å; K88-H139 PolarHBondContact N-O 3.26Å; K88-I141 HydrophobicContact CB-CD1 3.88Å; K88-I141 HydrophobicContact CB-CG1 4.38Å
89I91Very high93.1Very high5 Ų559.3 Ų59.33%0.02631%0.309CS..  trans-105.5137.7175.3-51.5179.5000107.7F87 G91 R92 I96 L127 Y128 A129F87-I89 HydrophobicContact CD2-CD1 4.36Å; F87-I89 HydrophobicContact CD2-CG1 3.81Å; F87-I89 HydrophobicContact CE2-CD1 3.69Å; F87-I89 HydrophobicContact CE2-CG1 3.66Å; I89-G91 PolarHBondContact O-N 3.3Å; I89-R92 HydrophobicContact CB-CB 4.37Å; I89-R92 HydrophobicContact CB-CG 4.37Å; I89-R92 PolarHBondContact O-N 3.37Å; I89-I96 HydrophobicContact CD1-CD1 3.67Å; I89-I96 HydrophobicContact CG1-CD1 4.5Å; I89-L127 HydrophobicContact CD1-CB 4.34Å; I89-L127 WeakPolarHBondContact CD1-O 3.48Å; I89-Y128 HydrophobicContact CD1-CD1 4.31Å; I89-A129 HydrophobicContact CG2-CB 4.4Å
90E85.7Confident93.4Very high152 Ų15258.6 Ų58.671%0.7131%0.305SS*.THydrogen-bonded Turntrans-59.4132.9173.6-63-174.6173.300110.7R92E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.86Å
91G85Confident93.5Very high85 Ų8553.4 Ų53.488%0.87629%0.29SS*.THydrogen-bonded Turntrans82.5-2.5-174.500000115.2I89I89-G91 PolarHBondContact O-N 3.3Å
92R86.6Confident93.4Very high98 Ų9855.8 Ų55.837%0.3729%0.289SS..  trans-113.8127169.3-61.3-168.3-174-163.30110.7K88 I89 E90 L127K88-R92 WeakPolarHBondContact CE-O 3.43Å; I89-R92 HydrophobicContact CB-CB 4.37Å; I89-R92 HydrophobicContact CB-CG 4.37Å; I89-R92 PolarHBondContact O-N 3.37Å; E90-R92 VanDerWaalsContact C-N 3.3Å; E90-R92 PolarHBondContact O-N 2.86Å; R92-L127 PolarHBondContact NH2-O 3.03Å
93E85.6Confident93.4Very high156 Ų15656.4 Ų56.473%0.72929%0.285SS*.SBendtrans-74.4-33.4177.3-66.8-54.4141.600112.5
94I90.3Very high93.3Very high108 Ų10859 Ų5955%0.55430%0.295SS*.SBendtrans-93.2123.3-173.9-53.1178.6000109.7L55L55-I94 HydrophobicContact CD1-CG2 4.04Å
95P93.9Very high93Very high52 Ų5264.8 Ų64.834%0.33832%0.322SS..  trans-69.6152.1175.730.9-35.4000111.6V86 F87 I141V86-P95 HydrophobicContact CG1-CB 3.83Å; V86-P95 HydrophobicContact CG1-CG 4.41Å; F87-P95 WeakPolarHBondContact O-CA 3.4Å; P95-I141 HydrophobicContact CB-CD1 3.55Å; P95-I141 HydrophobicContact CG-CD1 4.31Å
96I94.9Very high92.6Very high25 Ų2568.8 Ų68.813%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-110.5135.9-177.6-55.9-178.4000108.9V86 F87 I89 H98 L127V86-I96 CarbonylContact C-O 3.55Å; V86-I96 VanDerWaalsContact CA-O 3.3Å; V86-I96 WeakPolarHBondContact CA-O 3.35Å; F87-I96 WeakPolarHBondContact CD1-O 3.43Å; F87-I96 HydrophobicContact CE1-CB 4.05Å; F87-I96 HydrophobicContact CE1-CG2 4.06Å; F87-I96 HydrophobicContact CE2-CB 4.27Å; F87-I96 HydrophobicContact CE2-CD1 4.48Å; F87-I96 HydrophobicContact CZ-CB 3.88Å; F87-I96 HydrophobicContact CZ-CD1 4.47Å; F87-I96 HydrophobicContact CZ-CG2 3.95Å; F87-I96 PolarHBondContact N-O 2.85Å; F87-I96 PolarHBondContact O-N 2.75Å; I89-I96 HydrophobicContact CD1-CD1 3.67Å; I89-I96 HydrophobicContact CG1-CD1 4.5Å; I96-H98 WeakPolarHBondContact CG2-ND1 3.45Å; I96-L127 HydrophobicContact CD1-CD1 4.39Å
97V96Very high92.1Very high17 Ų1775.8 Ų75.810%0.10339%0.386CS..EExtended strand (participates in β ladder)trans-110.1115.8174.5720000110.5M59 L69 I84 V85 V86M59-V97 HydrophobicContact CG-CG1 4.2Å; M59-V97 VanDerWaalsContact CG-O 3.27Å; M59-V97 WeakPolarHBondContact CG-O 3.42Å; L69-V97 HydrophobicContact CD1-CB 4.26Å; L69-V97 HydrophobicContact CD1-CG1 4.08Å; L69-V97 HydrophobicContact CD1-CG2 3.65Å; I84-V97 HydrophobicContact CG2-CG2 3.52Å; V85-V97 WeakPolarHBondContact O-CA 3.27Å; V86-V97 HydrophobicContact CG2-CB 3.84Å; V86-V97 HydrophobicContact CG2-CG2 3.5Å; V86-V97 VanDerWaalsContact CG2-CG2 3.5Å
98H97.4Very high91.7Very high4 Ų482.6 Ų82.62%0.01942%0.422CS..EExtended strand (participates in β ladder)trans-146.8166.6179.7-74.3162.4000112.1S58 M59 V85 F87 I96 G117 N120 D124S58-H98 WeakPolarHBondContact CB-NE2 3.43Å; S58-H98 PolarHBondContact OG-NE2 3.4Å; S58-H98 VanDerWaalsContact OG-NE2 3.12Å; M59-H98 HydrophobicContact SD-CB 4.42Å; V85-H98 WeakPolarHBondContact CG2-O 2.95Å; V85-H98 PolarHBondContact N-O 3.39Å; V85-H98 PolarHBondContact O-N 3.44Å; F87-H98 HydrophobicContact CE1-CB 4.39Å; I96-H98 WeakPolarHBondContact CG2-ND1 3.45Å; H98-G117 WeakPolarHBondContact CD2-CA 3.3Å; H98-N120 PolarHBondContact CE1-ND2 3.06Å; H98-N120 VanDerWaalsContact CE1-ND2 3.3Å; H98-N120 PolarHBondContact NE2-ND2 3.12Å; H98-D124 WeakPolarHBondContact CB-OD2 3.34Å; H98-D124 IonicContact CE1-OD1 2.72Å; H98-D124 PolarHBondContact CE1-OD1 3.27Å; H98-D124 VanDerWaalsContact CE1-OD1 3.26Å; H98-D124 IonicContact CE1-OD2 3.88Å; H98-D124 IonicContact CG-OD2 2.96Å; H98-D124 IonicContact ND1-OD1 3.72Å; H98-D124 PolarHBondContact ND1-OD1 3.1Å; H98-D124 IonicContact ND1-OD2 2.69Å; H98-D124 PolarHBondContact ND1-OD2 3.03Å
99R97.3Very high91.2Very high77 Ų7780.3 Ų80.329%0.29143%0.426SS..EExtended strand (participates in β ladder)trans-85136.6179.9-168.7178-57.2-83.91.5111.6M59 G82 D83 L101 T115 K116 D118M59-R99 HydrophobicContact CE-CB 4.36Å; G82-R99 WeakPolarHBondContact O-CG 3.09Å; G82-R99 PolarHBondContact O-NH1 3.45Å; D83-R99 CarbonylContact O-C 3.55Å; D83-R99 WeakPolarHBondContact O-CA 3.47Å; R99-L101 PolarHBondContact O-N 2.86Å; R99-T115 CarbonylContact O-C 3.34Å; R99-T115 WeakPolarHBondContact O-CA 3.34Å; R99-K116 PolarHBondContact N-O 3.3Å; R99-K116 PolarHBondContact O-N 3Å; R99-D118 WeakPolarHBondContact CB-OD1 3.46Å; R99-D118 IonicContact CZ-OD1 3.56Å; R99-D118 IonicContact CZ-OD2 2.97Å; R99-D118 IonicContact NE-OD1 3.71Å; R99-D118 PolarHBondContact NE-OD1 3.28Å; R99-D118 IonicContact NE-OD2 3.47Å; R99-D118 PolarHBondContact NE-OD2 3.5Å; R99-D118 IonicContact NH2-OD1 3.7Å; R99-D118 IonicContact NH2-OD2 2.63Å; R99-D118 PolarHBondContact NH2-OD2 2.69Å
100V97Very high91Very high1 Ų182.9 Ų82.91%0.00644%0.444CS..EExtended strand (participates in β ladder)trans-66.9113.9170.1179.60000109I79 G82 D83 V85 F113 T115I79-V100 HydrophobicContact CG2-CG2 3.99Å; G82-V100 PolarHBondContact N-O 3.42Å; D83-V100 HydrophobicContact CB-CG2 4.27Å; D83-V100 PolarHBondContact O-N 2.86Å; V85-V100 HydrophobicContact CB-CG2 4.37Å; V85-V100 HydrophobicContact CG1-CG2 3.68Å; V85-V100 HydrophobicContact CG2-CG2 3.72Å; V100-F113 HydrophobicContact CG1-CB 3.99Å; V100-F113 HydrophobicContact CG2-CD2 4.12Å; V100-T115 HydrophobicContact CG2-CG2 4.37Å
101L96.1Very high91.3Very high59 Ų5977.2 Ų77.231%0.30942%0.418SS..EExtended strand (participates in β ladder)trans-87.6-43.5178.5-176.290.6000111.9V81 R99 L114 K116 H123V81-L101 VanDerWaalsContact CG1-O 3.31Å; V81-L101 WeakPolarHBondContact CG1-O 3.47Å; R99-L101 PolarHBondContact O-N 2.86Å; L101-L114 HydrophobicContact CD2-CD2 4.03Å; L101-L114 PolarHBondContact N-O 3.3Å; L101-K116 HydrophobicContact CB-CB 4.42Å; L101-K116 HydrophobicContact CD1-CD 4.31Å; L101-H123 WeakPolarHBondContact CD2-CE1 3.47Å; L101-H123 WeakPolarHBondContact CD2-ND1 3.44Å; L101-H123 WeakPolarHBondContact CD2-NE2 3.47Å
102R95.4Very high91.8Very high142 Ų14277.9 Ų77.954%0.53640%0.397SS..EExtended strand (participates in β ladder)trans-140.6144.8-178-68.3-176.1-174.2177.32.9110.2F113 L114R102-F113 CarbonylContact O-C 3.59Å; R102-F113 VanDerWaalsContact O-CA 3.23Å; R102-F113 WeakPolarHBondContact O-CA 3.42Å; R102-F113 WeakPolarHBondContact O-CB 3.48Å; R102-L114 HydrophobicContact CB-CB 4.38Å; R102-L114 PolarHBondContact N-O 2.79Å; R102-L114 PolarHBondContact O-N 2.92Å
103L94.9Very high92.2Very high44 Ų4473.2 Ų73.223%0.2338%0.38CS..EExtended strand (participates in β ladder)trans-129.7134.3176.9-174.1144.3000108.9I79 V81 E105 I111I79-L103 HydrophobicContact CB-CD1 4.06Å; I79-L103 HydrophobicContact CG2-CD1 4.04Å; I79-L103 WeakPolarHBondContact O-CD1 3.44Å; V81-L103 HydrophobicContact CG2-CB 3.87Å; L103-E105 HydrophobicContact CD2-CB 4.24Å; L103-I111 HydrophobicContact CD1-CG2 3.77Å; L103-I111 HydrophobicContact CD2-CG2 4.17Å; L103-I111 HydrophobicContact CG-CG2 3.83Å
104H93.5Very high92.7Very high94 Ų9465.8 Ų65.844%0.43535%0.345SS..EExtended strand (participates in β ladder)trans-119123.1173.2-64.978000107.7K112 W134H104-K112 HydrophobicContact CB-CB 4.48Å; H104-K112 PolarHBondContact N-O 3.05Å; H104-K112 PolarHBondContact O-N 2.83Å; H104-W134 AromaticContact CE1-CH2 3.09Å; H104-W134 WeakPolarHBondContact CE1-CH2 3.45Å; H104-W134 AromaticContact CE1-CZ2 3.92Å; H104-W134 AromaticContact CE1-CZ3 3.38Å; H104-W134 WeakPolarHBondContact CE1-CZ3 3.36Å; H104-W134 AromaticContact ND1-CE3 3.88Å; H104-W134 AromaticContact ND1-CH2 3.36Å; H104-W134 WeakPolarHBondContact ND1-CH2 3.48Å; H104-W134 AromaticContact ND1-CZ3 3.19Å; H104-W134 WeakPolarHBondContact ND1-CZ3 3.45Å
105E91.1Very high93Very high144 Ų14460.7 Ų60.767%0.67332%0.319SS*.EExtended strand (participates in β ladder)trans-107.2125.2174.6-170.8170.6-170.700108.2L103 I111L103-E105 HydrophobicContact CD2-CB 4.24Å; E105-I111 HydrophobicContact CG-CG1 4.49Å
106N88.4Confident93.1Very high83 Ų8360.3 Ų60.344%0.44431%0.312SS..  trans-87.9155.8175.6-164.5-63.4000109.9N108 G109 S110N106-N108 PolarHBondContact O-N 3.47Å; N106-N108 VanDerWaalsContact O-N 3.14Å; N106-N108 PolarHBondContact OD1-N 3.31Å; N106-N108 VanDerWaalsContact OD1-N 3.12Å; N106-G109 WeakPolarHBondContact O-CA 3.25Å; N106-G109 PolarHBondContact O-N 3.41Å; N106-S110 WeakPolarHBondContact CB-O 3.34Å; N106-S110 VanDerWaalsContact CB-OG 3.31Å; N106-S110 WeakPolarHBondContact CB-OG 3.37Å; N106-S110 PolarHBondContact N-O 2.86Å
107V85.4Confident93.2Very high150 Ų15059.1 Ų59.191%0.90931%0.306SS*.THydrogen-bonded Turntrans-55-31.1173.2-171.60000111.9G109V107-G109 PolarHBondContact O-N 3.05Å; V107-G109 VanDerWaalsContact O-N 3.15Å
108N86Confident93.2Very high142 Ų14260.7 Ų60.776%0.75931%0.314SS*.THydrogen-bonded Turntrans-73.22.6176.3-62.1-6.3000113.7N106 S110N106-N108 PolarHBondContact O-N 3.47Å; N106-N108 VanDerWaalsContact O-N 3.14Å; N106-N108 PolarHBondContact OD1-N 3.31Å; N106-N108 VanDerWaalsContact OD1-N 3.12Å; N108-S110 PolarHBondContact O-N 3.43Å
109G82.9Confident93.1Very high49 Ų4965 Ų6551%0.50534%0.337SS..SBendtrans76.35.2-17500000114.4N106 V107N106-G109 WeakPolarHBondContact O-CA 3.25Å; N106-G109 PolarHBondContact O-N 3.41Å; V107-G109 PolarHBondContact O-N 3.05Å; V107-G109 VanDerWaalsContact O-N 3.15Å
110S88.4Confident93Very high58 Ų5863.2 Ų63.241%0.40633%0.333SS..  trans-76.9128.7175.462.40000110.7N106 N108N106-S110 WeakPolarHBondContact CB-O 3.34Å; N106-S110 VanDerWaalsContact CB-OG 3.31Å; N106-S110 WeakPolarHBondContact CB-OG 3.37Å; N106-S110 PolarHBondContact N-O 2.86Å; N108-S110 PolarHBondContact O-N 3.43Å
111I91.9Very high92.8Very high33 Ų3369.3 Ų69.317%0.16937%0.372CS..EExtended strand (participates in β ladder)trans-104.2133.2-179-58.7172.5000108.9L103 E105 F113 P137L103-I111 HydrophobicContact CD1-CG2 3.77Å; L103-I111 HydrophobicContact CD2-CG2 4.17Å; L103-I111 HydrophobicContact CG-CG2 3.83Å; E105-I111 HydrophobicContact CG-CG1 4.49Å; I111-F113 HydrophobicContact CG2-CD1 4.44Å; I111-P137 HydrophobicContact CB-CG 4.28Å; I111-P137 WeakPolarHBondContact O-CD 3.43Å
112K94.1Very high92.7Very high99 Ų9971.5 Ų71.543%0.4339%0.388SS..EExtended strand (participates in β ladder)trans-126.9132172.5-73.7-176.3-177.3-176.60109.4H104 W134 L135 T136H104-K112 HydrophobicContact CB-CB 4.48Å; H104-K112 PolarHBondContact N-O 3.05Å; H104-K112 PolarHBondContact O-N 2.83Å; K112-W134 HydrophobicContact CB-CB 3.95Å; K112-W134 HydrophobicContact CB-CG 4.26Å; K112-W134 HydrophobicContact CD-CB 4.13Å; K112-W134 HydrophobicContact CD-CG 4.3Å; K112-W134 HydrophobicContact CG-CB 4.24Å; K112-L135 CarbonylContact C-O 3.48Å; K112-L135 VanDerWaalsContact CA-O 3.29Å; K112-L135 WeakPolarHBondContact CA-O 3.21Å; K112-T136 HydrophobicContact CG-CG2 4.37Å
113F95.3Very high92.6Very high0 Ų068 Ų680%038%0.378CS..EExtended strand (participates in β ladder)trans-133.9155.7-17859.4-89.5000112.7I79 V85 V100 R102 I111 T115 L135I79-F113 HydrophobicContact CD1-CD1 3.96Å; I79-F113 HydrophobicContact CD1-CE1 3.56Å; I79-F113 HydrophobicContact CD1-CZ 4.2Å; V85-F113 HydrophobicContact CG2-CE2 4.17Å; V100-F113 HydrophobicContact CG1-CB 3.99Å; V100-F113 HydrophobicContact CG2-CD2 4.12Å; R102-F113 CarbonylContact O-C 3.59Å; R102-F113 VanDerWaalsContact O-CA 3.23Å; R102-F113 WeakPolarHBondContact O-CA 3.42Å; R102-F113 WeakPolarHBondContact O-CB 3.48Å; I111-F113 HydrophobicContact CG2-CD1 4.44Å; F113-T115 HydrophobicContact CD2-CG2 3.95Å; F113-T115 HydrophobicContact CE2-CG2 4.07Å; F113-L135 HydrophobicContact CD2-CB 3.86Å; F113-L135 HydrophobicContact CD2-CD1 4.22Å; F113-L135 HydrophobicContact CE1-CB 4.19Å; F113-L135 HydrophobicContact CE2-CB 3.49Å; F113-L135 VanDerWaalsContact CE2-CB 3.49Å; F113-L135 HydrophobicContact CE2-CD1 3.72Å; F113-L135 HydrophobicContact CE2-CG 4.27Å; F113-L135 HydrophobicContact CG-CB 4.35Å; F113-L135 HydrophobicContact CZ-CB 3.68Å; F113-L135 HydrophobicContact CZ-CD1 4.5Å; F113-L135 PolarHBondContact N-O 2.72Å; F113-L135 PolarHBondContact O-N 2.96Å
114L96.4Very high92.6Very high1 Ų166 Ų661%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-117.8129.4177.8174.763.1000108.5L101 R102 H123 R125 Y128 W134L101-L114 HydrophobicContact CD2-CD2 4.03Å; L101-L114 PolarHBondContact N-O 3.3Å; R102-L114 HydrophobicContact CB-CB 4.38Å; R102-L114 PolarHBondContact N-O 2.79Å; R102-L114 PolarHBondContact O-N 2.92Å; L114-H123 HydrophobicContact CD1-CB 4.05Å; L114-H123 HydrophobicContact CD2-CB 4.1Å; L114-H123 HydrophobicContact CG-CB 4.25Å; L114-R125 HydrophobicContact CD1-CG 3.57Å; L114-Y128 HydrophobicContact CD1-CE2 4.05Å; L114-W134 HydrophobicContact CB-CE3 4.04Å; L114-W134 HydrophobicContact CB-CZ3 3.7Å
115T97Very high92.5Very high0 Ų066.6 Ų66.60%037%0.366CS..EExtended strand (participates in β ladder)trans-104.3158.7177.557.40000111.7V85 F87 R99 V100 F113 D124 Y128 L135V85-T115 HydrophobicContact CG2-CG2 3.43Å; V85-T115 VanDerWaalsContact CG2-CG2 3.43Å; F87-T115 HydrophobicContact CD1-CG2 4.42Å; F87-T115 HydrophobicContact CE1-CG2 4.07Å; F87-T115 WeakPolarHBondContact CE1-OG1 3.37Å; F87-T115 WeakPolarHBondContact CZ-OG1 3.4Å; R99-T115 CarbonylContact O-C 3.34Å; R99-T115 WeakPolarHBondContact O-CA 3.34Å; V100-T115 HydrophobicContact CG2-CG2 4.37Å; F113-T115 HydrophobicContact CD2-CG2 3.95Å; F113-T115 HydrophobicContact CE2-CG2 4.07Å; T115-D124 WeakPolarHBondContact CB-OD2 3.1Å; T115-D124 WeakPolarHBondContact O-CB 3.47Å; T115-D124 VanDerWaalsContact O-CG 3.29Å; T115-D124 PolarHBondContact O-N 3.27Å; T115-D124 PolarHBondContact OG1-OD2 3.48Å; T115-Y128 PolarHBondContact N-OH 3.07Å; T115-Y128 PolarHBondContact OG1-OH 2.91Å; T115-Y128 VanDerWaalsContact OG1-OH 3.08Å; T115-L135 HydrophobicContact CG2-CD1 3.89Å
116K96.4Very high92.4Very high45 Ų4563.3 Ų63.320%0.19637%0.371CS..EExtended strand (participates in β ladder)trans-149.1134.8172.2-173.1-160.3169.2-83.80108.1R99 L101 D118 N120 H123 D124R99-K116 PolarHBondContact N-O 3.3Å; R99-K116 PolarHBondContact O-N 3Å; L101-K116 HydrophobicContact CB-CB 4.42Å; L101-K116 HydrophobicContact CD1-CD 4.31Å; K116-D118 PolarHBondContact NZ-O 3.25Å; K116-N120 WeakPolarHBondContact CE-O 3.49Å; K116-N120 PolarHBondContact NZ-O 3.32Å; K116-H123 WeakPolarHBondContact CD-ND1 3.34Å; K116-D124 PolarHBondContact N-OD2 3.34Å
117G96.2Very high92.4Very high0 Ų062 Ų620%036%0.363CS..  trans-63.6137.8165.100000111.1S58 H98 N119 N120S58-G117 CarbonylContact O-C 3.59Å; S58-G117 WeakPolarHBondContact O-CA 3.4Å; H98-G117 WeakPolarHBondContact CD2-CA 3.3Å; G117-N119 PolarHBondContact O-N 2.65Å; G117-N120 PolarHBondContact O-N 3.3Å
118D95.4Very high92.7Very high50 Ų5055.6 Ų55.627%0.26732%0.323SS..THydrogen-bonded Turntrans-56.5-40-178.9-71.2-14.9000111S58 M59 R99 K116S58-D118 PolarHBondContact O-N 3.05Å; S58-D118 VanDerWaalsContact O-N 3.13Å; M59-D118 HydrophobicContact CE-CB 4.5Å; M59-D118 WeakPolarHBondContact CE-OD2 3.21Å; M59-D118 HydrophobicContact SD-CB 4.29Å; R99-D118 WeakPolarHBondContact CB-OD1 3.46Å; R99-D118 IonicContact CZ-OD1 3.56Å; R99-D118 IonicContact CZ-OD2 2.97Å; R99-D118 IonicContact NE-OD1 3.71Å; R99-D118 PolarHBondContact NE-OD1 3.28Å; R99-D118 IonicContact NE-OD2 3.47Å; R99-D118 PolarHBondContact NE-OD2 3.5Å; R99-D118 IonicContact NH2-OD1 3.7Å; R99-D118 IonicContact NH2-OD2 2.63Å; R99-D118 PolarHBondContact NH2-OD2 2.69Å; K116-D118 PolarHBondContact NZ-O 3.25Å
119N95.7Very high92.7Very high93 Ų9349.7 Ų49.750%0.49729%0.294SS..THydrogen-bonded Turntrans-91.52.6179-16019000114.6G57 S58 E60 G117G57-N119 PolarHBondContact O-ND2 2.9Å; G57-N119 VanDerWaalsContact O-ND2 3.1Å; S58-N119 WeakPolarHBondContact O-CB 3.47Å; S58-N119 PolarHBondContact O-N 3.13Å; E60-N119 HydrophobicContact CB-CB 4.43Å; E60-N119 WeakPolarHBondContact O-CB 3.17Å; G117-N119 PolarHBondContact O-N 2.65Å
120N94.8Very high92.9Very high41 Ų4154 Ų5422%0.21931%0.313CS..  trans-87.6143.3-179.7-68.3-12.7000111.1S58 H98 K116 G117S58-N120 WeakPolarHBondContact CB-OD1 3.4Å; H98-N120 PolarHBondContact CE1-ND2 3.06Å; H98-N120 VanDerWaalsContact CE1-ND2 3.3Å; H98-N120 PolarHBondContact NE2-ND2 3.12Å; K116-N120 WeakPolarHBondContact CE-O 3.49Å; K116-N120 PolarHBondContact NZ-O 3.32Å; G117-N120 PolarHBondContact O-N 3.3Å
121P92.9Very high92.8Very high128 Ų12855.3 Ų55.383%0.83134%0.336SS*.SBendtrans-74.4-25.2177.727.7-33.7000113.4
122V94.3Very high92.6Very high105 Ų10555.8 Ų55.864%0.63634%0.337SS*.SBendtrans-126.8156.1-173.1-174.30000110.1
123H94.2Very high92.5Very high68 Ų6855.4 Ų55.432%0.31534%0.34SS..  trans-69.8162.1173.3-52.1-41.1000112.6L101 L114 K116 R125L101-H123 WeakPolarHBondContact CD2-CE1 3.47Å; L101-H123 WeakPolarHBondContact CD2-ND1 3.44Å; L101-H123 WeakPolarHBondContact CD2-NE2 3.47Å; L114-H123 HydrophobicContact CD1-CB 4.05Å; L114-H123 HydrophobicContact CD2-CB 4.1Å; L114-H123 HydrophobicContact CG-CB 4.25Å; K116-H123 WeakPolarHBondContact CD-ND1 3.34Å; H123-R125 PolarHBondContact O-N 2.84Å
124D94Very high92.4Very high2 Ų258.5 Ų58.51%0.01135%0.352CS..G310 helixtrans-79.49.3-169.7-58.1-32.2000115H98 T115 K116 G126 L127 Y128H98-D124 WeakPolarHBondContact CB-OD2 3.34Å; H98-D124 IonicContact CE1-OD1 2.72Å; H98-D124 PolarHBondContact CE1-OD1 3.27Å; H98-D124 VanDerWaalsContact CE1-OD1 3.26Å; H98-D124 IonicContact CE1-OD2 3.88Å; H98-D124 IonicContact CG-OD2 2.96Å; H98-D124 IonicContact ND1-OD1 3.72Å; H98-D124 PolarHBondContact ND1-OD1 3.1Å; H98-D124 IonicContact ND1-OD2 2.69Å; H98-D124 PolarHBondContact ND1-OD2 3.03Å; T115-D124 WeakPolarHBondContact CB-OD2 3.1Å; T115-D124 WeakPolarHBondContact O-CB 3.47Å; T115-D124 VanDerWaalsContact O-CG 3.29Å; T115-D124 PolarHBondContact O-N 3.27Å; T115-D124 PolarHBondContact OG1-OD2 3.48Å; K116-D124 PolarHBondContact N-OD2 3.34Å; D124-G126 PolarHBondContact O-N 2.92Å; D124-L127 HydrophobicContact CB-CB 4.43Å; D124-L127 HydrophobicContact CB-CD1 4.13Å; D124-L127 HydrophobicContact CB-CG 4.49Å; D124-L127 WeakPolarHBondContact O-CA 3.44Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 3.38Å; D124-Y128 HydrophobicContact CB-CD1 4.37Å; D124-Y128 HydrophobicContact CB-CE1 3.57Å; D124-Y128 VanDerWaalsContact O-CD1 3.23Å; D124-Y128 WeakPolarHBondContact O-CD1 3.49Å; D124-Y128 WeakPolarHBondContact O-CE1 3.5Å; D124-Y128 PolarHBondContact O-N 3.2Å
125R92.2Very high92.3Very high107 Ų10758.5 Ų58.540%0.40435%0.352SS..G310 helixtrans-54.4-38.5179.4-68.4-171.2177.6159-3.5112.7L114 H123 L127 Y128L114-R125 HydrophobicContact CD1-CG 3.57Å; H123-R125 PolarHBondContact O-N 2.84Å; R125-L127 PolarHBondContact O-N 2.9Å; R125-Y128 HydrophobicContact CG-CE2 4.42Å; R125-Y128 PolarHBondContact O-N 3.45Å
126G88.6Confident92.1Very high76 Ų7660.4 Ų60.478%0.78436%0.363SS*.G310 helixtrans-72-10.2176.700000114.3D124D124-G126 PolarHBondContact O-N 2.92Å
127L88.1Confident91.8Very high55 Ų5561.1 Ų61.129%0.28837%0.373SS..G310 helixtrans-94.6-23178-57.4179.8000112.7I89 R92 I96 D124 R125I89-L127 HydrophobicContact CD1-CB 4.34Å; I89-L127 WeakPolarHBondContact CD1-O 3.48Å; R92-L127 PolarHBondContact NH2-O 3.03Å; I96-L127 HydrophobicContact CD1-CD1 4.39Å; D124-L127 HydrophobicContact CB-CB 4.43Å; D124-L127 HydrophobicContact CB-CD1 4.13Å; D124-L127 HydrophobicContact CB-CG 4.49Å; D124-L127 WeakPolarHBondContact O-CA 3.44Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 3.38Å; R125-L127 PolarHBondContact O-N 2.9Å
128Y91.1Very high91.6Very high15 Ų1566 Ų666%0.05941%0.407CS..SBendtrans-65.9169.5-179.2-57.5-18.2000112.3F87 I89 L114 T115 D124 R125 Q132 L135F87-Y128 HydrophobicContact CE2-CD1 4.19Å; F87-Y128 AromaticContact CE2-CE1 3.9Å; F87-Y128 HydrophobicContact CE2-CE1 3.9Å; F87-Y128 HydrophobicContact CZ-CE1 4.02Å; I89-Y128 HydrophobicContact CD1-CD1 4.31Å; L114-Y128 HydrophobicContact CD1-CE2 4.05Å; T115-Y128 PolarHBondContact N-OH 3.07Å; T115-Y128 PolarHBondContact OG1-OH 2.91Å; T115-Y128 VanDerWaalsContact OG1-OH 3.08Å; D124-Y128 HydrophobicContact CB-CD1 4.37Å; D124-Y128 HydrophobicContact CB-CE1 3.57Å; D124-Y128 VanDerWaalsContact O-CD1 3.23Å; D124-Y128 WeakPolarHBondContact O-CD1 3.49Å; D124-Y128 WeakPolarHBondContact O-CE1 3.5Å; D124-Y128 PolarHBondContact O-N 3.2Å; R125-Y128 HydrophobicContact CG-CE2 4.42Å; R125-Y128 PolarHBondContact O-N 3.45Å; Y128-Q132 WeakPolarHBondContact CB-O 3.29Å; Y128-Q132 WeakPolarHBondContact CD2-O 3.38Å; Y128-L135 HydrophobicContact CD1-CD1 4.46Å; Y128-L135 HydrophobicContact CD1-CD2 4.13Å; Y128-L135 HydrophobicContact CD1-CG 4.24Å; Y128-L135 HydrophobicContact CE1-CD1 3.57Å; Y128-L135 HydrophobicContact CE1-CD2 4.03Å; Y128-L135 HydrophobicContact CE1-CG 3.69Å; Y128-L135 HydrophobicContact CE2-CG 4.15Å; Y128-L135 WeakPolarHBondContact OH-CD1 3.45Å
129A87.9Confident91.4Very high18 Ų1865.2 Ų65.215%0.14940%0.402CS..SBendtrans-58.9152.2175.500000111.1I89 G131 Q132I89-A129 HydrophobicContact CG2-CB 4.4Å; A129-G131 PolarHBondContact O-N 3.5Å; A129-Q132 HydrophobicContact CB-CB 4.28Å; A129-Q132 VanDerWaalsContact O-CB 3.26Å; A129-Q132 WeakPolarHBondContact O-CB 3.27Å; A129-Q132 PolarHBondContact O-N 3.4Å
130P85.7Confident91.3Very high140 Ų14061.5 Ų61.591%0.90938%0.382SS*.THydrogen-bonded Turntrans-53.8126.3179.6-25.634.5000112.1Q132P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.3Å
131G86.3Confident91.3Very high86 Ų8661 Ų6189%0.88738%0.379SS*.THydrogen-bonded Turntrans80.23.4-178.500000115.3A129A129-G131 PolarHBondContact O-N 3.5Å
132Q88.9Confident91.4Very high42 Ų4254.9 Ų54.920%0.19634%0.339CS..  trans-98.9113.9176.7-175.9175.4-38.300111.1Y128 A129 P130 W134Y128-Q132 WeakPolarHBondContact CB-O 3.29Å; Y128-Q132 WeakPolarHBondContact CD2-O 3.38Å; A129-Q132 HydrophobicContact CB-CB 4.28Å; A129-Q132 VanDerWaalsContact O-CB 3.26Å; A129-Q132 WeakPolarHBondContact O-CB 3.27Å; A129-Q132 PolarHBondContact O-N 3.4Å; P130-Q132 VanDerWaalsContact C-N 3.3Å; P130-Q132 PolarHBondContact O-N 3.3Å; Q132-W134 WeakPolarHBondContact CG-O 3.21Å; Q132-W134 PolarHBondContact NE2-O 2.86Å
133D91.1Very high91.5Very high92 Ų9250.3 Ų50.349%0.49231%0.31SS..  trans-94.1-16177.2-74-49.5000114.3
134W93.2Very high91.5Very high65 Ų6548 Ų4825%0.24630%0.303CS..SBendtrans-139.6144.5-171.2-57.792.6000111.3H104 K112 L114 Q132H104-W134 AromaticContact CE1-CH2 3.09Å; H104-W134 WeakPolarHBondContact CE1-CH2 3.45Å; H104-W134 AromaticContact CE1-CZ2 3.92Å; H104-W134 AromaticContact CE1-CZ3 3.38Å; H104-W134 WeakPolarHBondContact CE1-CZ3 3.36Å; H104-W134 AromaticContact ND1-CE3 3.88Å; H104-W134 AromaticContact ND1-CH2 3.36Å; H104-W134 WeakPolarHBondContact ND1-CH2 3.48Å; H104-W134 AromaticContact ND1-CZ3 3.19Å; H104-W134 WeakPolarHBondContact ND1-CZ3 3.45Å; K112-W134 HydrophobicContact CB-CB 3.95Å; K112-W134 HydrophobicContact CB-CG 4.26Å; K112-W134 HydrophobicContact CD-CB 4.13Å; K112-W134 HydrophobicContact CD-CG 4.3Å; K112-W134 HydrophobicContact CG-CB 4.24Å; L114-W134 HydrophobicContact CB-CE3 4.04Å; L114-W134 HydrophobicContact CB-CZ3 3.7Å; Q132-W134 WeakPolarHBondContact CG-O 3.21Å; Q132-W134 PolarHBondContact NE2-O 2.86Å
135L94Very high91.5Very high0 Ų054 Ų540%033%0.325CS..BIsolated β-bridgetrans-89.2148.6169.9-67.6166.8000110.3F87 K112 F113 T115 Y128 H139F87-L135 HydrophobicContact CB-CD1 4.49Å; F87-L135 HydrophobicContact CD1-CD1 3.95Å; F87-L135 HydrophobicContact CD2-CD1 3.65Å; F87-L135 HydrophobicContact CD2-CD2 3.74Å; F87-L135 HydrophobicContact CD2-CG 4.38Å; F87-L135 HydrophobicContact CE1-CD1 4.01Å; F87-L135 HydrophobicContact CE2-CD1 3.69Å; F87-L135 HydrophobicContact CE2-CD2 4.07Å; F87-L135 HydrophobicContact CE2-CG 4.5Å; F87-L135 HydrophobicContact CG-CD1 3.78Å; F87-L135 HydrophobicContact CG-CD2 4.41Å; F87-L135 HydrophobicContact CZ-CD1 3.88Å; K112-L135 CarbonylContact C-O 3.48Å; K112-L135 VanDerWaalsContact CA-O 3.29Å; K112-L135 WeakPolarHBondContact CA-O 3.21Å; F113-L135 HydrophobicContact CD2-CB 3.86Å; F113-L135 HydrophobicContact CD2-CD1 4.22Å; F113-L135 HydrophobicContact CE1-CB 4.19Å; F113-L135 HydrophobicContact CE2-CB 3.49Å; F113-L135 VanDerWaalsContact CE2-CB 3.49Å; F113-L135 HydrophobicContact CE2-CD1 3.72Å; F113-L135 HydrophobicContact CE2-CG 4.27Å; F113-L135 HydrophobicContact CG-CB 4.35Å; F113-L135 HydrophobicContact CZ-CB 3.68Å; F113-L135 HydrophobicContact CZ-CD1 4.5Å; F113-L135 PolarHBondContact N-O 2.72Å; F113-L135 PolarHBondContact O-N 2.96Å; T115-L135 HydrophobicContact CG2-CD1 3.89Å; Y128-L135 HydrophobicContact CD1-CD1 4.46Å; Y128-L135 HydrophobicContact CD1-CD2 4.13Å; Y128-L135 HydrophobicContact CD1-CG 4.24Å; Y128-L135 HydrophobicContact CE1-CD1 3.57Å; Y128-L135 HydrophobicContact CE1-CD2 4.03Å; Y128-L135 HydrophobicContact CE1-CG 3.69Å; Y128-L135 HydrophobicContact CE2-CG 4.15Å; Y128-L135 WeakPolarHBondContact OH-CD1 3.45Å; L135-H139 HydrophobicContact CD2-CB 4.12Å
136T92.8Very high91.6Very high40 Ų4050.3 Ų50.325%0.24532%0.32CS..  trans-115.316017450.50000109.6K112 S138 H139K112-T136 HydrophobicContact CG-CG2 4.37Å; T136-S138 PolarHBondContact O-N 2.88Å; T136-S138 PolarHBondContact OG1-OG 2.83Å; T136-H139 PolarHBondContact O-N 3.37Å; T136-H139 PolarHBondContact OG1-CE1 2.81Å; T136-H139 PolarHBondContact OG1-ND1 3.38Å
137P91.3Very high92Very high61 Ų6151.2 Ų51.240%0.39630%0.303SS..G310 helixtrans-54.9-23.9176.7-28.435.5000114.8I79 I111 H139 L140I79-P137 HydrophobicContact CD1-CG 4.32Å; I111-P137 HydrophobicContact CB-CG 4.28Å; I111-P137 WeakPolarHBondContact O-CD 3.43Å; P137-H139 PolarHBondContact O-N 3.17Å; P137-L140 VanDerWaalsContact O-CB 3.3Å; P137-L140 WeakPolarHBondContact O-CB 3.28Å; P137-L140 PolarHBondContact O-N 3.05Å; P137-L140 VanDerWaalsContact O-N 3.15Å
138S90.3Very high92.4Very high102 Ų10253.4 Ų53.471%0.71331%0.314SS*.G310 helixtrans-64-23.4175.857.80000114.2T136T136-S138 PolarHBondContact O-N 2.88Å; T136-S138 PolarHBondContact OG1-OG 2.83Å
139H92.5Very high92.6Very high34 Ų3455.9 Ų55.916%0.15733%0.332CS..G310 helixtrans-88.7-9.6177.7-62.2103.5000112.7F87 K88 L135 T136 P137F87-H139 WeakPolarHBondContact CA-O 3.38Å; F87-H139 VanDerWaalsContact CB-O 3.31Å; F87-H139 WeakPolarHBondContact CB-O 3.45Å; K88-H139 PolarHBondContact N-O 3.26Å; L135-H139 HydrophobicContact CD2-CB 4.12Å; T136-H139 PolarHBondContact O-N 3.37Å; T136-H139 PolarHBondContact OG1-CE1 2.81Å; T136-H139 PolarHBondContact OG1-ND1 3.38Å; P137-H139 PolarHBondContact O-N 3.17Å
140L93.8Very high92.8Very high15 Ų1561.6 Ų61.68%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-80.2122.2-175.6-176.870.4000110.4N73 I79 V85 P137 G142N73-L140 WeakPolarHBondContact OD1-CD2 3.41Å; I79-L140 HydrophobicContact CD1-CD2 3.88Å; I79-L140 HydrophobicContact CG1-CD2 4.3Å; V85-L140 HydrophobicContact CB-CD1 3.51Å; V85-L140 HydrophobicContact CG1-CD1 3.62Å; P137-L140 VanDerWaalsContact O-CB 3.3Å; P137-L140 WeakPolarHBondContact O-CB 3.28Å; P137-L140 PolarHBondContact O-N 3.05Å; P137-L140 VanDerWaalsContact O-N 3.15Å; L140-G142 WeakPolarHBondContact CD1-O 3.44Å
141I94.1Very high93.3Very high30 Ų3058.8 Ų58.815%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-82.3-39.9169.6-66.7163.7000110.1S47 L71 V86 K88 P95S47-I141 WeakPolarHBondContact CB-O 3.22Å; S47-I141 PolarHBondContact OG-O 3.27Å; L71-I141 HydrophobicContact CD1-CG2 4.25Å; V86-I141 HydrophobicContact CG1-CB 4.28Å; V86-I141 HydrophobicContact CG1-CD1 4.16Å; V86-I141 PolarHBondContact O-N 2.82Å; K88-I141 HydrophobicContact CB-CD1 3.88Å; K88-I141 HydrophobicContact CB-CG1 4.38Å; P95-I141 HydrophobicContact CB-CD1 3.55Å; P95-I141 HydrophobicContact CG-CD1 4.31Å
142G95.4Very high93.7Very high0 Ų054.8 Ų54.80%029%0.289CS..EExtended strand (participates in β ladder)trans171.2176.3176.900000113.3V86 L140V86-G142 PolarHBondContact N-O 2.9Å; V86-G142 PolarHBondContact O-N 3.13Å; L140-G142 WeakPolarHBondContact CD1-O 3.44Å
143R95.7Very high93.9Very high9 Ų955.8 Ų55.83%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-107134.7177.3-69.6172.4-69.2-150-11.6110.8L71 T72 Y74 E77 P78 I84 V85 R145L71-R143 CarbonylContact C-O 3.53Å; L71-R143 VanDerWaalsContact CA-O 3.25Å; L71-R143 WeakPolarHBondContact CA-O 3.39Å; T72-R143 PolarHBondContact N-O 2.68Å; T72-R143 PolarHBondContact O-N 3Å; Y74-R143 PolarHBondContact O-NH2 3.26Å; E77-R143 VanDerWaalsContact CD-CZ 3.42Å; E77-R143 VanDerWaalsContact CD-NH2 3.31Å; E77-R143 PolarHBondContact O-NH1 2.59Å; E77-R143 PolarHBondContact O-NH2 3.01Å; E77-R143 IonicContact OE2-CZ 3.11Å; E77-R143 IonicContact OE2-NE 3.7Å; E77-R143 IonicContact OE2-NH1 3.65Å; E77-R143 IonicContact OE2-NH2 2.67Å; E77-R143 PolarHBondContact OE2-NH2 2.88Å; P78-R143 PolarHBondContact O-NH1 3.24Å; I84-R143 CarbonylContact O-C 3.46Å; I84-R143 VanDerWaalsContact O-CA 3.27Å; I84-R143 WeakPolarHBondContact O-CA 3.17Å; V85-R143 HydrophobicContact CG1-CG 3.97Å; R143-R145 PolarHBondContact O-N 2.92Å
144A95.8Very high94Very high19 Ų1955.4 Ų55.416%0.15730%0.295CS..EExtended strand (participates in β ladder)trans-71.6120.7174.600000110.2F63 L69 Y70 L71 I84F63-A144 HydrophobicContact CZ-CB 4.42Å; L69-A144 HydrophobicContact CB-CB 4.32Å; L69-A144 HydrophobicContact CD1-CB 4.18Å; Y70-A144 WeakPolarHBondContact O-CA 3.5Å; L71-A144 HydrophobicContact CD2-CB 3.99Å; I84-A144 HydrophobicContact CB-CB 4.23Å; I84-A144 HydrophobicContact CG2-CB 4.13Å; I84-A144 PolarHBondContact O-N 3.29Å
145R93.6Very high93.8Very high128 Ų12856.3 Ų56.348%0.48331%0.307SS..EExtended strand (participates in β ladder)trans-107.6-22.1176.5-79-159.9176.7160.52.3114.4Y70 T72 Y74 E77 R143Y70-R145 HydrophobicContact CD1-CB 4.39Å; Y70-R145 PolarHBondContact O-N 2.94Å; T72-R145 HydrophobicContact CG2-CG 4.34Å; T72-R145 WeakPolarHBondContact OG1-CD 3.33Å; T72-R145 WeakPolarHBondContact OG1-CG 3.27Å; T72-R145 PolarHBondContact OG1-NE 3.07Å; Y74-R145 VanDerWaalsContact CD2-NH2 3.3Å; E77-R145 IonicContact OE1-CZ 3.71Å; E77-R145 IonicContact OE1-NE 3.37Å; E77-R145 IonicContact OE1-NH2 3.42Å; E77-R145 PolarHBondContact OE1-NH2 3.05Å; E77-R145 IonicContact OE2-CZ 2.83Å; E77-R145 IonicContact OE2-NH2 2.68Å; E77-R145 PolarHBondContact OE2-NH2 3.42Å; R143-R145 PolarHBondContact O-N 2.92Å
146G94.9Very high93.7Very high29 Ų2956.7 Ų56.730%0.29931%0.309SS..EExtended strand (participates in β ladder)trans-160168179.300000109.8Y70Y70-G146 PolarHBondContact N-O 3.3Å
147F96Very high93.7Very high96 Ų9658.9 Ų58.942%0.42132%0.318SS..EExtended strand (participates in β ladder)trans-148.4156.7177.370.9-76.5000111.5F63 D67 V68 L69 P149F63-F147 HydrophobicContact CD1-CB 4.35Å; F63-F147 HydrophobicContact CD1-CD1 4.03Å; F63-F147 HydrophobicContact CD1-CD2 4.24Å; F63-F147 HydrophobicContact CD1-CE1 4.33Å; F63-F147 AromaticContact CD1-CG 3.96Å; F63-F147 HydrophobicContact CD1-CG 3.96Å; F63-F147 HydrophobicContact CE1-CB 4.08Å; F63-F147 AromaticContact CE1-CD1 3.47Å; F63-F147 HydrophobicContact CE1-CD1 3.47Å; F63-F147 VanDerWaalsContact CE1-CD1 3.47Å; F63-F147 HydrophobicContact CE1-CD2 4.47Å; F63-F147 AromaticContact CE1-CE1 3.92Å; F63-F147 HydrophobicContact CE1-CE1 3.92Å; F63-F147 AromaticContact CE1-CG 3.77Å; F63-F147 HydrophobicContact CE1-CG 3.77Å; D67-F147 HydrophobicContact CB-CD2 4.2Å; V68-F147 CarbonylContact O-C 3.51Å; V68-F147 WeakPolarHBondContact O-CA 3.49Å; V68-F147 WeakPolarHBondContact O-CB 3.44Å; L69-F147 HydrophobicContact CD2-CB 3.53Å; L69-F147 HydrophobicContact CD2-CG 4.47Å; F147-P149 HydrophobicContact CD2-CB 4.49Å; F147-P149 HydrophobicContact CE2-CB 4.24Å
148I96.2Very high93.6Very high100 Ų10059.3 Ų59.351%0.51332%0.316SS..EExtended strand (participates in β ladder)trans-114.9117.5171.3-49.9177.8000107V68 V151V68-I148 PolarHBondContact N-O 3.48Å; V68-I148 PolarHBondContact O-N 3.18Å; I148-V151 HydrophobicContact CB-CG2 4.39Å; I148-V151 HydrophobicContact CG2-CB 4.27Å; I148-V151 HydrophobicContact CG2-CG2 3.5Å; I148-V151 VanDerWaalsContact CG2-CG2 3.5Å
149P96Very high93.5Very high67 Ų6760.9 Ų60.944%0.43532%0.316SS..SBendtrans-69.8142.8-17328.3-35000111.7D67 F147 V151D67-P149 WeakPolarHBondContact OD1-CA 3.2Å; F147-P149 HydrophobicContact CD2-CB 4.49Å; F147-P149 HydrophobicContact CE2-CB 4.24Å; P149-V151 PolarHBondContact O-N 3.49Å
150Y92.5Very high93.3Very high139 Ų13964.9 Ų64.955%0.54534%0.335SS..SBendtrans59.9-9.8171.4-52.2-69.7000118.7G66 D67 G152 Q153G66-Y150 CarbonylContact O-C 3.52Å; G66-Y150 VanDerWaalsContact O-C 3.26Å; G66-Y150 WeakPolarHBondContact O-CA 3.38Å; D67-Y150 PolarHBondContact OD1-N 3.18Å; Y150-G152 VanDerWaalsContact C-N 3.26Å; Y150-G152 PolarHBondContact O-N 2.84Å; Y150-Q153 VanDerWaalsContact O-CB 3.22Å; Y150-Q153 WeakPolarHBondContact O-CB 3.48Å; Y150-Q153 VanDerWaalsContact O-CG 3.24Å; Y150-Q153 WeakPolarHBondContact O-CG 3.06Å; Y150-Q153 PolarHBondContact O-N 3.15Å
151V94.6Very high93.1Very high81 Ų8167.1 Ų67.149%0.49135%0.347SS..THydrogen-bonded Turntrans-61.7-35.9-178.1170.30000112.1G66 V68 I148 P149 Q153 V154G66-V151 PolarHBondContact O-N 2.94Å; V68-V151 HydrophobicContact CG2-CB 4.06Å; V68-V151 HydrophobicContact CG2-CG1 4.18Å; I148-V151 HydrophobicContact CB-CG2 4.39Å; I148-V151 HydrophobicContact CG2-CB 4.27Å; I148-V151 HydrophobicContact CG2-CG2 3.5Å; I148-V151 VanDerWaalsContact CG2-CG2 3.5Å; P149-V151 PolarHBondContact O-N 3.49Å; V151-Q153 PolarHBondContact O-N 3.19Å; V151-V154 PolarHBondContact O-N 2.72Å
152G94.6Very high92.8Very high1 Ų168.9 Ų68.91%0.0136%0.361CS..THydrogen-bonded Turntrans-67.4-13.3177.500000113.9G66 Y150 V154 T155 I156G66-G152 CarbonylContact O-C 3.51Å; G66-G152 WeakPolarHBondContact O-CA 3.22Å; G66-G152 PolarHBondContact O-N 2.86Å; Y150-G152 VanDerWaalsContact C-N 3.26Å; Y150-G152 PolarHBondContact O-N 2.84Å; G152-V154 PolarHBondContact O-N 3.49Å; G152-T155 WeakPolarHBondContact O-CB 3.4Å; G152-T155 PolarHBondContact O-N 2.92Å; G152-T155 VanDerWaalsContact O-N 3.09Å; G152-I156 WeakPolarHBondContact O-CG1 3.37Å; G152-I156 PolarHBondContact O-N 3.46Å
153Q94.2Very high92.6Very high64 Ų6478.5 Ų78.530%0.29940%0.397SS..Hα-helixtrans-59.1-33.7173.9-65.3-69.558.200111.8Y150 V151 T155 I156 I157Y150-Q153 VanDerWaalsContact O-CB 3.22Å; Y150-Q153 WeakPolarHBondContact O-CB 3.48Å; Y150-Q153 VanDerWaalsContact O-CG 3.24Å; Y150-Q153 WeakPolarHBondContact O-CG 3.06Å; Y150-Q153 PolarHBondContact O-N 3.15Å; V151-Q153 PolarHBondContact O-N 3.19Å; Q153-T155 VanDerWaalsContact C-N 3.33Å; Q153-T155 PolarHBondContact O-N 3.26Å; Q153-I156 PolarHBondContact O-N 3.15Å; Q153-I157 WeakPolarHBondContact O-CB 3.46Å; Q153-I157 WeakPolarHBondContact O-CD1 3.36Å; Q153-I157 WeakPolarHBondContact O-CG1 3.44Å; Q153-I157 PolarHBondContact O-N 2.98Å
154V92.2Very high92.3Very high84 Ų8481 Ų8151%0.50941%0.41SS..Hα-helixtrans-58.5-47.9175.4179.50000110.3V151 G152 M158V151-V154 PolarHBondContact O-N 2.72Å; G152-V154 PolarHBondContact O-N 3.49Å; V154-M158 HydrophobicContact CG1-CE 3.51Å; V154-M158 HydrophobicContact CG1-SD 4.21Å; V154-M158 WeakPolarHBondContact O-CB 3.42Å; V154-M158 VanDerWaalsContact O-CG 3.26Å; V154-M158 WeakPolarHBondContact O-CG 3.4Å; V154-M158 PolarHBondContact O-N 2.85Å; V154-M158 VanDerWaalsContact O-N 3.1Å
155T90.8Very high91.8Very high84 Ų8485.2 Ų85.252%0.51543%0.425SS..Hα-helixtrans-65.6-41.2178.4-52.20000111.9G152 Q153 M158 N159G152-T155 WeakPolarHBondContact O-CB 3.4Å; G152-T155 PolarHBondContact O-N 2.92Å; G152-T155 VanDerWaalsContact O-N 3.09Å; Q153-T155 VanDerWaalsContact C-N 3.33Å; Q153-T155 PolarHBondContact O-N 3.26Å; T155-M158 PolarHBondContact O-N 2.86Å; T155-N159 WeakPolarHBondContact O-CB 3.23Å; T155-N159 PolarHBondContact O-N 2.79Å
156I91.5Very high91.6Very high8 Ų886.6 Ų86.64%0.04143%0.431CS..Hα-helixtrans-62.8-50.5178.7-68170.9000110.5V53 L55 R65 G152 Q153 M158 N159 E160V53-I156 HydrophobicContact CG1-CD1 3.93Å; V53-I156 HydrophobicContact CG1-CG1 4.08Å; L55-I156 HydrophobicContact CD2-CD1 4.05Å; L55-I156 HydrophobicContact CD2-CG1 3.83Å; R65-I156 HydrophobicContact CG-CD1 3.99Å; G152-I156 WeakPolarHBondContact O-CG1 3.37Å; G152-I156 PolarHBondContact O-N 3.46Å; Q153-I156 PolarHBondContact O-N 3.15Å; I156-M158 VanDerWaalsContact C-N 3.31Å; I156-M158 PolarHBondContact O-N 2.87Å; I156-N159 PolarHBondContact O-N 2.96Å; I156-N159 VanDerWaalsContact O-N 3.13Å; I156-E160 HydrophobicContact CG2-CG 4.14Å; I156-E160 WeakPolarHBondContact O-CB 3.31Å; I156-E160 WeakPolarHBondContact O-CG 3.2Å; I156-E160 PolarHBondContact O-N 3.45Å
157I91.6Very high91.5Very high85 Ų8588.7 Ų88.744%0.43644%0.442SS..Hα-helixtrans-59.4-42.9179.8-68.2164.6000110.9Q153 N159 N161 I164Q153-I157 WeakPolarHBondContact O-CB 3.46Å; Q153-I157 WeakPolarHBondContact O-CD1 3.36Å; Q153-I157 WeakPolarHBondContact O-CG1 3.44Å; Q153-I157 PolarHBondContact O-N 2.98Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.29Å; I157-N161 PolarHBondContact O-N 3.21Å; I157-N161 VanDerWaalsContact O-N 3.09Å; I157-I164 HydrophobicContact CG2-CD1 3.7Å; I157-I164 HydrophobicContact CG2-CG2 4.3Å
158M89.2Confident91.2Very high70 Ų7087.3 Ų87.335%0.34544%0.438SS..Hα-helixtrans-65.8-34.9177.7-72.9179.6-173.800113.1V154 T155 I156 I168V154-M158 HydrophobicContact CG1-CE 3.51Å; V154-M158 HydrophobicContact CG1-SD 4.21Å; V154-M158 WeakPolarHBondContact O-CB 3.42Å; V154-M158 VanDerWaalsContact O-CG 3.26Å; V154-M158 WeakPolarHBondContact O-CG 3.4Å; V154-M158 PolarHBondContact O-N 2.85Å; V154-M158 VanDerWaalsContact O-N 3.1Å; T155-M158 PolarHBondContact O-N 2.86Å; I156-M158 VanDerWaalsContact C-N 3.31Å; I156-M158 PolarHBondContact O-N 2.87Å; M158-I168 HydrophobicContact CE-CD1 3.89Å
159N88.5Confident90.8Very high135 Ų13587.1 Ų87.172%0.72244%0.438SS*.Hα-helixtrans-81.3-39.7-178.3-168.255.2000112.5T155 I156 I157T155-N159 WeakPolarHBondContact O-CB 3.23Å; T155-N159 PolarHBondContact O-N 2.79Å; I156-N159 PolarHBondContact O-N 2.96Å; I156-N159 VanDerWaalsContact O-N 3.13Å; I157-N159 VanDerWaalsContact C-N 3.34Å; I157-N159 PolarHBondContact O-N 3.29Å
160E88.4Confident90.6Very high119 Ų11985.6 Ų85.656%0.55643%0.434SS*.Hα-helixtrans-76-31.3-179.3-69.5-174.3160.100112.9R65 I156 P162R65-E160 IonicContact CZ-OE1 3.01Å; R65-E160 IonicContact NH1-OE1 3.74Å; R65-E160 IonicContact NH2-OE1 4Å; R65-E160 PolarHBondContact NH2-OE1 2.73Å; R65-E160 IonicContact NH2-OE2 3.26Å; R65-E160 PolarHBondContact NH2-OE2 3.2Å; I156-E160 HydrophobicContact CG2-CG 4.14Å; I156-E160 WeakPolarHBondContact O-CB 3.31Å; I156-E160 WeakPolarHBondContact O-CG 3.2Å; I156-E160 PolarHBondContact O-N 3.45Å; E160-P162 WeakPolarHBondContact O-CD 3.43Å
161N89.5Confident90.5Very high61 Ų6183.7 Ų83.733%0.32644%0.437SS..  trans-117.889.4177.2-166.1-15.8000111.4I157 R163 I164 K165I157-N161 PolarHBondContact O-N 3.21Å; I157-N161 VanDerWaalsContact O-N 3.09Å; N161-R163 PolarHBondContact O-N 2.77Å; N161-R163 VanDerWaalsContact OD1-CB 3.31Å; N161-R163 WeakPolarHBondContact OD1-CB 3.36Å; N161-R163 PolarHBondContact OD1-N 2.86Å; N161-R163 VanDerWaalsContact OD1-N 3.16Å; N161-I164 HydrophobicContact CB-CB 4.31Å; N161-I164 HydrophobicContact CB-CD1 3.87Å; N161-I164 HydrophobicContact CB-CG1 4.06Å; N161-I164 WeakPolarHBondContact ND2-CD1 3.26Å; N161-I164 PolarHBondContact O-N 2.79Å; N161-K165 PolarHBondContact O-N 3.37Å
162P88.1Confident90.3Very high67 Ų6785 Ų8544%0.43544%0.439SS..Hα-helixtrans-55.4-28.6176.8-26.734.1000113.5E160 K165 Y166E160-P162 WeakPolarHBondContact O-CD 3.43Å; P162-K165 WeakPolarHBondContact O-CB 3.36Å; P162-K165 PolarHBondContact O-N 2.83Å; P162-Y166 HydrophobicContact CB-CD2 4.44Å; P162-Y166 HydrophobicContact CB-CE2 4.04Å; P162-Y166 WeakPolarHBondContact O-CD2 3.5Å; P162-Y166 PolarHBondContact O-N 3.32Å
163R90.5Very high89.9Confident203 Ų20386.4 Ų86.477%0.76645%0.453SS*.Hα-helixtrans-63.5-43.5177.9-57179.3-176.5156.91.8110.9N161 K165 Y166 S167N161-R163 PolarHBondContact O-N 2.77Å; N161-R163 VanDerWaalsContact OD1-CB 3.31Å; N161-R163 WeakPolarHBondContact OD1-CB 3.36Å; N161-R163 PolarHBondContact OD1-N 2.86Å; N161-R163 VanDerWaalsContact OD1-N 3.16Å; R163-K165 VanDerWaalsContact C-N 3.31Å; R163-K165 PolarHBondContact O-N 3.01Å; R163-Y166 PolarHBondContact O-N 3.08Å; R163-S167 WeakPolarHBondContact O-CB 3.27Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.33Å
164I89.1Confident89.7Confident60 Ų6088.1 Ų88.131%0.30846%0.463SS..Hα-helixtrans-60.8-44.2176.5-67.7175.7000110.1I157 N161 Y166 S167 I168I157-I164 HydrophobicContact CG2-CD1 3.7Å; I157-I164 HydrophobicContact CG2-CG2 4.3Å; N161-I164 HydrophobicContact CB-CB 4.31Å; N161-I164 HydrophobicContact CB-CD1 3.87Å; N161-I164 HydrophobicContact CB-CG1 4.06Å; N161-I164 WeakPolarHBondContact ND2-CD1 3.26Å; N161-I164 PolarHBondContact O-N 2.79Å; I164-Y166 PolarHBondContact O-N 2.89Å; I164-S167 PolarHBondContact O-N 2.8Å; I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 HydrophobicContact CG2-CG1 4.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 2.82Å
165K85.8Confident89.5Confident108 Ų10891.3 Ų91.347%0.4747%0.467SS..Hα-helixtrans-56.1-49.7176-179.9-177.9175.5-179.10111.7N161 P162 R163 I168 L169N161-K165 PolarHBondContact O-N 3.37Å; P162-K165 WeakPolarHBondContact O-CB 3.36Å; P162-K165 PolarHBondContact O-N 2.83Å; R163-K165 VanDerWaalsContact C-N 3.31Å; R163-K165 PolarHBondContact O-N 3.01Å; K165-I168 PolarHBondContact O-N 3.18Å; K165-L169 HydrophobicContact CG-CD1 4.39Å; K165-L169 WeakPolarHBondContact O-CG 3.31Å; K165-L169 PolarHBondContact O-N 3.23Å; K165-L169 VanDerWaalsContact O-N 3.1Å
166Y90.6Very high89.1Confident157 Ų15793.1 Ų93.162%0.61647%0.473SS*.Hα-helixtrans-68.5-35.1178.5-63.6-56.3000112.9P162 R163 I164 L169 G170P162-Y166 HydrophobicContact CB-CD2 4.44Å; P162-Y166 HydrophobicContact CB-CE2 4.04Å; P162-Y166 WeakPolarHBondContact O-CD2 3.5Å; P162-Y166 PolarHBondContact O-N 3.32Å; R163-Y166 PolarHBondContact O-N 3.08Å; I164-Y166 PolarHBondContact O-N 2.89Å; Y166-L169 PolarHBondContact O-N 2.96Å; Y166-G170 PolarHBondContact O-N 2.69Å
167S91Very high88.6Confident74 Ų7497 Ų9752%0.51749%0.493SS..Hα-helixtrans-62.7-44.6174.4-64.70000111.8R163 I164 G170 V171R163-S167 WeakPolarHBondContact O-CB 3.27Å; R163-S167 PolarHBondContact O-N 2.98Å; R163-S167 PolarHBondContact O-OG 3.33Å; I164-S167 PolarHBondContact O-N 2.8Å; S167-G170 PolarHBondContact O-N 2.99Å; S167-V171 WeakPolarHBondContact O-CG2 3.3Å; S167-V171 PolarHBondContact O-N 2.67Å
168I89.6Confident88.3Confident67 Ų6799 Ų9934%0.34450%0.504SS..Hα-helixtrans-62.7-46.9176.8-67.8169.5000110.4M158 I164 K165 G170 V171 M172M158-I168 HydrophobicContact CE-CD1 3.89Å; I164-I168 HydrophobicContact CG2-CD1 3.76Å; I164-I168 HydrophobicContact CG2-CG1 4.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.45Å; I164-I168 PolarHBondContact O-N 2.82Å; K165-I168 PolarHBondContact O-N 3.18Å; I168-G170 VanDerWaalsContact C-N 3.29Å; I168-G170 PolarHBondContact O-N 3.45Å; I168-V171 PolarHBondContact O-N 2.85Å; I168-M172 HydrophobicContact CG2-CG 4.41Å; I168-M172 HydrophobicContact CG2-SD 4Å; I168-M172 WeakPolarHBondContact O-CB 3.46Å; I168-M172 WeakPolarHBondContact O-CG 3.22Å; I168-M172 PolarHBondContact O-N 3.33Å
169L88.6Confident87.8Confident96 Ų9698.4 Ų98.450%0.50350%0.502SS..Hα-helixtrans-60.6-38.9176.1-70173.4000112K165 Y166 G173K165-L169 HydrophobicContact CG-CD1 4.39Å; K165-L169 WeakPolarHBondContact O-CG 3.31Å; K165-L169 PolarHBondContact O-N 3.23Å; K165-L169 VanDerWaalsContact O-N 3.1Å; Y166-L169 PolarHBondContact O-N 2.96Å; L169-G173 PolarHBondContact O-N 3.25Å
170G91.1Very high86.5Confident35 Ų3597.2 Ų97.236%0.36149%0.488SS..Hα-helixtrans-63.6-46.4175.200000112.7Y166 S167 I168 G173 I174Y166-G170 PolarHBondContact O-N 2.69Å; S167-G170 PolarHBondContact O-N 2.99Å; I168-G170 VanDerWaalsContact C-N 3.29Å; I168-G170 PolarHBondContact O-N 3.45Å; G170-G173 PolarHBondContact O-N 2.96Å; G170-I174 WeakPolarHBondContact O-CG1 3.02Å; G170-I174 PolarHBondContact O-N 2.87Å
171V91.6Very high85.2Confident99 Ų9998.3 Ų98.360%0.650%0.497SS*.Hα-helixtrans-64-42.7176.5172.30000111.2S167 I168 G173 I174 Y175S167-V171 WeakPolarHBondContact O-CG2 3.3Å; S167-V171 PolarHBondContact O-N 2.67Å; I168-V171 PolarHBondContact O-N 2.85Å; V171-G173 VanDerWaalsContact C-N 3.33Å; V171-G173 PolarHBondContact O-N 3.26Å; V171-I174 PolarHBondContact O-N 2.89Å; V171-Y175 WeakPolarHBondContact O-CB 3.38Å; V171-Y175 PolarHBondContact O-N 3.02Å
172M88.9Confident83.3Confident109 Ų109103.3 Ų103.354%0.53752%0.519SS..Hα-helixtrans-61.4-42.4174.1-72.2177.372.800111.5I168 Y175 L176I168-M172 HydrophobicContact CG2-CG 4.41Å; I168-M172 HydrophobicContact CG2-SD 4Å; I168-M172 WeakPolarHBondContact O-CB 3.46Å; I168-M172 WeakPolarHBondContact O-CG 3.22Å; I168-M172 PolarHBondContact O-N 3.33Å; M172-Y175 PolarHBondContact O-N 3.04Å; M172-L176 WeakPolarHBondContact O-CB 3.23Å; M172-L176 VanDerWaalsContact O-CG 3.28Å; M172-L176 WeakPolarHBondContact O-CG 3.29Å; M172-L176 PolarHBondContact O-N 2.81Å
173G87Confident81.1Confident30 Ų30111.9 Ų111.931%0.30955%0.553SS.*Hα-helixtrans-59.7-48.3174.800000112.2L169 G170 V171 Y175 L176 L177L169-G173 PolarHBondContact O-N 3.25Å; G170-G173 PolarHBondContact O-N 2.96Å; V171-G173 VanDerWaalsContact C-N 3.33Å; V171-G173 PolarHBondContact O-N 3.26Å; G173-Y175 PolarHBondContact O-N 3.15Å; G173-L176 PolarHBondContact O-N 3.43Å; G173-L177 VanDerWaalsContact O-CG 3.27Å; G173-L177 WeakPolarHBondContact O-CG 3.19Å; G173-L177 PolarHBondContact O-N 3.38Å
174I89.2Confident80.7Confident100 Ų100107.4 Ų107.451%0.51354%0.543SS..Hα-helixtrans-62.3-43.1176.4-66.2165.7000110.9G170 V171 L176 L177 L178G170-I174 WeakPolarHBondContact O-CG1 3.02Å; G170-I174 PolarHBondContact O-N 2.87Å; V171-I174 PolarHBondContact O-N 2.89Å; I174-L176 PolarHBondContact O-N 2.89Å; I174-L177 PolarHBondContact O-N 2.8Å; I174-L178 HydrophobicContact CG2-CD1 3.83Å; I174-L178 HydrophobicContact CG2-CG 4.14Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.28Å
175Y87.9Confident80.2Confident150 Ų150109.8 Ų109.859%0.58856%0.555SS**Hα-helixtrans-60.5-44.6178176.6-92.5000112.2V171 M172 G173 L177 L178 N179V171-Y175 WeakPolarHBondContact O-CB 3.38Å; V171-Y175 PolarHBondContact O-N 3.02Å; M172-Y175 PolarHBondContact O-N 3.04Å; G173-Y175 PolarHBondContact O-N 3.15Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.29Å; Y175-L178 PolarHBondContact O-N 2.91Å; Y175-N179 VanDerWaalsContact CD2-ND2 3.32Å; Y175-N179 WeakPolarHBondContact CD2-ND2 3.32Å; Y175-N179 VanDerWaalsContact CE1-ND2 3.31Å; Y175-N179 WeakPolarHBondContact CE1-ND2 3.47Å; Y175-N179 WeakPolarHBondContact CE2-ND2 3.31Å; Y175-N179 PolarHBondContact O-N 3.48Å; Y175-N179 PolarHBondContact O-ND2 3.26Å; Y175-N179 PolarHBondContact OH-ND2 2.76Å
176L84Confident79.9Confident123 Ų123109.9 Ų109.964%0.64456%0.56SS**Hα-helixtrans-63.4-36.2175.7-70.4172.7000111.6M172 G173 I174 R180M172-L176 WeakPolarHBondContact O-CB 3.23Å; M172-L176 VanDerWaalsContact O-CG 3.28Å; M172-L176 WeakPolarHBondContact O-CG 3.29Å; M172-L176 PolarHBondContact O-N 2.81Å; G173-L176 PolarHBondContact O-N 3.43Å; I174-L176 PolarHBondContact O-N 2.89Å; L176-R180 WeakPolarHBondContact O-CB 3.49Å; L176-R180 PolarHBondContact O-N 2.87Å; L176-R180 VanDerWaalsContact O-N 3.13Å
177L80.5Confident79.3Confident89 Ų89107.2 Ų107.247%0.46656%0.557SS.*Hα-helixtrans-70.1-41.8176.1-69.3171.5000112.6L4 G173 I174 Y175 R180L4-L177 HydrophobicContact CD2-CD1 4.18Å; G173-L177 VanDerWaalsContact O-CG 3.27Å; G173-L177 WeakPolarHBondContact O-CG 3.19Å; G173-L177 PolarHBondContact O-N 3.38Å; I174-L177 PolarHBondContact O-N 2.8Å; Y175-L177 VanDerWaalsContact C-N 3.29Å; Y175-L177 PolarHBondContact O-N 3.29Å; L177-R180 VanDerWaalsContact O-CB 3.22Å; L177-R180 WeakPolarHBondContact O-CB 3.09Å; L177-R180 PolarHBondContact O-N 2.92Å
178L84.7Confident78.6Confident127 Ų127109.3 Ų109.367%0.66556%0.559SS**Hα-helixtrans-67.7-38.2179.6-69.9174.7000112.1I174 Y175 R180I174-L178 HydrophobicContact CG2-CD1 3.83Å; I174-L178 HydrophobicContact CG2-CG 4.14Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.28Å; Y175-L178 PolarHBondContact O-N 2.91Å; L178-R180 VanDerWaalsContact C-N 3.32Å
179N78.9Confident77.8Confident57 Ų57112.1 Ų112.131%0.30557%0.573SS.*G310 helixtrans-87.80.5179-65.2-43.5000113.8Y175 N181 Q182Y175-N179 VanDerWaalsContact CD2-ND2 3.32Å; Y175-N179 WeakPolarHBondContact CD2-ND2 3.32Å; Y175-N179 VanDerWaalsContact CE1-ND2 3.31Å; Y175-N179 WeakPolarHBondContact CE1-ND2 3.47Å; Y175-N179 WeakPolarHBondContact CE2-ND2 3.31Å; Y175-N179 PolarHBondContact O-N 3.48Å; Y175-N179 PolarHBondContact O-ND2 3.26Å; Y175-N179 PolarHBondContact OH-ND2 2.76Å; N179-N181 PolarHBondContact O-N 3.24Å; N179-N181 VanDerWaalsContact O-N 3.16Å; N179-Q182 PolarHBondContact O-N 3.15Å; N179-Q182 VanDerWaalsContact O-N 3.17Å
180R62.4Low77.1Confident110 Ų110113.2 Ų113.242%0.41558%0.578SS.*G310 helixtrans-56.9-30.3178.1-177.8-175.2154.71692113.1D11 L176 L177 L178 Q182D11-R180 IonicContact OD1-CZ 3.79Å; D11-R180 IonicContact OD1-NH2 2.77Å; D11-R180 PolarHBondContact OD1-NH2 3.14Å; D11-R180 IonicContact OD2-CZ 2.95Å; D11-R180 IonicContact OD2-NH1 2.7Å; D11-R180 PolarHBondContact OD2-NH1 3.37Å; D11-R180 IonicContact OD2-NH2 2.71Å; D11-R180 PolarHBondContact OD2-NH2 3.12Å; L176-R180 WeakPolarHBondContact O-CB 3.49Å; L176-R180 PolarHBondContact O-N 2.87Å; L176-R180 VanDerWaalsContact O-N 3.13Å; L177-R180 VanDerWaalsContact O-CB 3.22Å; L177-R180 WeakPolarHBondContact O-CB 3.09Å; L177-R180 PolarHBondContact O-N 2.92Å; L178-R180 VanDerWaalsContact C-N 3.32Å; R180-Q182 VanDerWaalsContact C-N 3.3Å; R180-Q182 PolarHBondContact O-N 2.87Å
181N59.5Low76Confident142 Ų142119.2 Ų119.276%0.75960%0.595SS**G310 helixtrans-86.25.3-176.2-63.9-19.7000113.9N179N179-N181 PolarHBondContact O-N 3.24Å; N179-N181 VanDerWaalsContact O-N 3.16Å
182Q51Low74.7Confident166 Ų166120.9 Ų120.978%0.77660%0.595SS**G310 helixtrans-100.3-0.3-179.6-66.8-164.2-24.200114.5N179 R180N179-Q182 PolarHBondContact O-N 3.15Å; N179-Q182 VanDerWaalsContact O-N 3.17Å; R180-Q182 VanDerWaalsContact C-N 3.3Å; R180-Q182 PolarHBondContact O-N 2.87Å
183E42.3Very low73.4Confident248 Ų248122 Ų122100%1.15960%0.6SS**  trans-119.70168.1-64.6-171.1170.400110.8

Retrieved 183 of 183 residues in 43 ms (Link to these results)

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