A0A087XZ72_POEFO Loading...

Acylglycerol kinase, mitochondrial

AlphaFold DB , UniProt , Accession A0A087XZ72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 423 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
1M61.3Low76.3Confident195 Ų195126.2 Ų126.296%0.96162%0.62SS**  0-67.40-69.3-78.6-120.100112.8R3 I4 V5M1-R3 PolarHBondContact O-N 2.89Å; M1-I4 PolarHBondContact O-N 2.98Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-V5 WeakPolarHBondContact O-CG2 3.41Å; M1-V5 PolarHBondContact O-N 2.76Å
2A73.4Confident76.8Confident76 Ų76130.4 Ų130.463%0.62862%0.624SS**Hα-helixtrans-59.5-35.3-173.100000115.9K6A2-K6 WeakPolarHBondContact O-CG 3.43Å; A2-K6 PolarHBondContact O-N 3.17Å
3R73.6Confident77.6Confident220 Ų220128.4 Ų128.483%0.8362%0.619SS**Hα-helixtrans-67.5-41.6175.6-74-173.9175.5-179.8-1.2112.6M1 K6 V7M1-R3 PolarHBondContact O-N 2.89Å; R3-K6 PolarHBondContact O-N 3.33Å; R3-V7 WeakPolarHBondContact O-CG2 3.34Å; R3-V7 PolarHBondContact O-N 3.43Å
4I77.1Confident78.4Confident103 Ų103125.9 Ų125.953%0.52861%0.605SS.*Hα-helixtrans-66.3-44.3178.4-62.1169000109.8M1 K6 V7 F8M1-I4 PolarHBondContact O-N 2.98Å; M1-I4 VanDerWaalsContact O-N 3.13Å; I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.45Å; I4-V7 PolarHBondContact O-N 2.93Å; I4-V7 VanDerWaalsContact O-N 3.17Å; I4-F8 HydrophobicContact CG2-CD2 3.82Å; I4-F8 HydrophobicContact CG2-CE2 3.95Å; I4-F8 WeakPolarHBondContact O-CD2 3.22Å; I4-F8 PolarHBondContact O-N 2.88Å
5V78.9Confident79Confident90 Ų90128.3 Ų128.355%0.54561%0.606SS.*Hα-helixtrans-61.8-40.5176.21770000111.4M1 F8 R9M1-V5 WeakPolarHBondContact O-CG2 3.41Å; M1-V5 PolarHBondContact O-N 2.76Å; V5-F8 PolarHBondContact O-N 3.45Å; V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 PolarHBondContact O-N 2.78Å
6K78.9Confident79.8Confident154 Ų154129.3 Ų129.367%0.6761%0.607SS**Hα-helixtrans-60.5-47.2172.5-81.7-177178.4-176.80111.7A2 R3 I4 F8 R9 T10A2-K6 WeakPolarHBondContact O-CG 3.43Å; A2-K6 PolarHBondContact O-N 3.17Å; R3-K6 PolarHBondContact O-N 3.33Å; I4-K6 VanDerWaalsContact C-N 3.33Å; I4-K6 PolarHBondContact O-N 3.45Å; K6-F8 PolarHBondContact O-N 2.87Å; K6-R9 PolarHBondContact O-N 3.21Å; K6-T10 PolarHBondContact O-N 3.05Å; K6-T10 PolarHBondContact O-OG1 2.93Å
7V78.6Confident80.4Confident84 Ų84130.5 Ų130.551%0.50961%0.61SS.*Hα-helixtrans-59.4-46.9178.3170.30000111.4R3 I4 R9 T10 L11R3-V7 WeakPolarHBondContact O-CG2 3.34Å; R3-V7 PolarHBondContact O-N 3.43Å; I4-V7 PolarHBondContact O-N 2.93Å; I4-V7 VanDerWaalsContact O-N 3.17Å; V7-R9 VanDerWaalsContact C-N 3.35Å; V7-R9 PolarHBondContact O-N 3.01Å; V7-T10 PolarHBondContact O-N 2.86Å; V7-L11 HydrophobicContact CG1-CD1 3.73Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.27Å; V7-L11 PolarHBondContact O-N 3.07Å
8F79Confident80.9Confident143 Ų143124.6 Ų124.663%0.62759%0.586SS**Hα-helixtrans-61.6-40.1175.8-92.6-85.2000112.7I4 V5 K6 L11 R12I4-F8 HydrophobicContact CG2-CD2 3.82Å; I4-F8 HydrophobicContact CG2-CE2 3.95Å; I4-F8 WeakPolarHBondContact O-CD2 3.22Å; I4-F8 PolarHBondContact O-N 2.88Å; V5-F8 PolarHBondContact O-N 3.45Å; K6-F8 PolarHBondContact O-N 2.87Å; F8-L11 PolarHBondContact O-N 3.23Å; F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 2.83Å
9R79.4Confident81.4Confident165 Ų165121.8 Ų121.862%0.62358%0.578SS**Hα-helixtrans-65.9-40177.1-142.4177.1-155.3175.15111.6V5 K6 V7 R12 N13V5-R9 WeakPolarHBondContact O-CB 3.45Å; V5-R9 PolarHBondContact O-N 2.78Å; K6-R9 PolarHBondContact O-N 3.21Å; V7-R9 VanDerWaalsContact C-N 3.35Å; V7-R9 PolarHBondContact O-N 3.01Å; R9-R12 PolarHBondContact O-N 2.88Å; R9-N13 WeakPolarHBondContact O-CB 3.43Å; R9-N13 PolarHBondContact O-N 3.23Å; R9-N13 PolarHBondContact O-OD1 3.44Å
10T78.9Confident82.1Confident80 Ų80121.5 Ų121.549%0.49158%0.579SS.*Hα-helixtrans-67.7-43.7176.3-47.40000111.9K6 V7 R12 N13 H14K6-T10 PolarHBondContact O-N 3.05Å; K6-T10 PolarHBondContact O-OG1 2.93Å; V7-T10 PolarHBondContact O-N 2.86Å; T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.36Å; T10-N13 PolarHBondContact O-N 2.88Å; T10-H14 PolarHBondContact O-N 3.49Å
11L80.4Confident82.6Confident78 Ų78117.8 Ų117.841%0.40857%0.569SS.*Hα-helixtrans-58.4-44174.1-77.9161.7000111.2V7 F8 H14 W15 S18V7-L11 HydrophobicContact CG1-CD1 3.73Å; V7-L11 HydrophobicContact CG1-CG 4.41Å; V7-L11 WeakPolarHBondContact O-CB 3.29Å; V7-L11 WeakPolarHBondContact O-CG 3.27Å; V7-L11 PolarHBondContact O-N 3.07Å; F8-L11 PolarHBondContact O-N 3.23Å; L11-H14 CarbonylContact O-C 3.32Å; L11-W15 VanDerWaalsContact O-CA 3.27Å; L11-W15 WeakPolarHBondContact O-CA 3.49Å; L11-W15 PolarHBondContact O-N 3.41Å; L11-W15 VanDerWaalsContact O-N 3.09Å; L11-S18 WeakPolarHBondContact CD2-OG 3.46Å
12R81.9Confident84.2Confident177 Ų177113.1 Ų113.167%0.66855%0.551SS**Hα-helixtrans-65.4-45.9176.8-169.2-179.874.4161.97.1112.4F8 R9 T10 H14F8-R12 WeakPolarHBondContact O-CB 3.27Å; F8-R12 PolarHBondContact O-N 2.83Å; R9-R12 PolarHBondContact O-N 2.88Å; T10-R12 VanDerWaalsContact C-N 3.32Å; T10-R12 PolarHBondContact O-N 3.36Å; R12-H14 VanDerWaalsContact C-N 3.27Å; R12-H14 PolarHBondContact O-N 3.42Å
13N86.7Confident85.2Confident104 Ų104113.4 Ų113.456%0.55655%0.548SS*.Hα-helixtrans-68.7-26.4-178.4-70.8-1.7000112.6R9 T10R9-N13 WeakPolarHBondContact O-CB 3.43Å; R9-N13 PolarHBondContact O-N 3.23Å; R9-N13 PolarHBondContact O-OD1 3.44Å; T10-N13 PolarHBondContact O-N 2.88Å
14H89Confident86.3Confident93 Ų93107.2 Ų107.243%0.43153%0.534SS..THydrogen-bonded Turntrans-121.147.5177-63.5-54000112.1T10 L11 R12 K16 K17 S18T10-H14 PolarHBondContact O-N 3.49Å; L11-H14 CarbonylContact O-C 3.32Å; R12-H14 VanDerWaalsContact C-N 3.27Å; R12-H14 PolarHBondContact O-N 3.42Å; H14-K16 VanDerWaalsContact C-N 3.29Å; H14-K16 PolarHBondContact O-N 2.9Å; H14-K17 HydrophobicContact CB-CB 4.22Å; H14-K17 HydrophobicContact CB-CD 4.31Å; H14-K17 HydrophobicContact CB-CG 4.43Å; H14-K17 PolarHBondContact O-N 3.24Å; H14-S18 PolarHBondContact O-N 3.37Å; H14-S18 PolarHBondContact O-OG 3.26Å
15W88.1Confident87.2Confident162 Ų162108.6 Ų108.661%0.61454%0.542SS*.Hα-helixtrans-55.6-41.6-174.877.2-86.6000112.7L11 K17 S18 T19L11-W15 VanDerWaalsContact O-CA 3.27Å; L11-W15 WeakPolarHBondContact O-CA 3.49Å; L11-W15 PolarHBondContact O-N 3.41Å; L11-W15 VanDerWaalsContact O-N 3.09Å; W15-K17 PolarHBondContact O-N 2.8Å; W15-S18 PolarHBondContact O-N 3.42Å; W15-T19 HydrophobicContact CE3-CG2 4.34Å; W15-T19 WeakPolarHBondContact O-CG2 3.22Å; W15-T19 PolarHBondContact O-N 3.48Å; W15-T19 PolarHBondContact O-OG1 3.44Å; W15-T19 VanDerWaalsContact O-OG1 3.09Å
16K91.6Very high88Confident145 Ų145107.8 Ų107.863%0.6354%0.54SS*.Hα-helixtrans-62.3-37.4176.8-60.9-175.3-179.4-178.20113.9H14 T19 L20H14-K16 VanDerWaalsContact C-N 3.29Å; H14-K16 PolarHBondContact O-N 2.9Å; K16-T19 PolarHBondContact O-OG1 3.13Å; K16-T19 VanDerWaalsContact O-OG1 3.04Å; K16-L20 WeakPolarHBondContact O-CB 3.25Å; K16-L20 PolarHBondContact O-N 3.09Å
17K90.6Very high88.9Confident149 Ų149108.1 Ų108.165%0.64854%0.539SS*.Hα-helixtrans-75.7-36.9178.7-61.4-175.6179.1-178.50110.7H14 W15 A21H14-K17 HydrophobicContact CB-CB 4.22Å; H14-K17 HydrophobicContact CB-CD 4.31Å; H14-K17 HydrophobicContact CB-CG 4.43Å; H14-K17 PolarHBondContact O-N 3.24Å; W15-K17 PolarHBondContact O-N 2.8Å; K17-A21 WeakPolarHBondContact O-CB 3.47Å; K17-A21 PolarHBondContact O-N 3.29Å
18S89.4Confident89.8Confident25 Ų25105.4 Ų105.418%0.17553%0.527CS..Hα-helixtrans-68.7-43.3179.7-52.80000111.4L11 H14 W15 A21 V22L11-S18 WeakPolarHBondContact CD2-OG 3.46Å; H14-S18 PolarHBondContact O-N 3.37Å; H14-S18 PolarHBondContact O-OG 3.26Å; W15-S18 PolarHBondContact O-N 3.42Å; S18-A21 PolarHBondContact O-N 3.32Å; S18-V22 VanDerWaalsContact O-CG2 3.32Å; S18-V22 WeakPolarHBondContact O-CG2 3.37Å; S18-V22 PolarHBondContact O-N 3.49Å
19T90.6Very high90.7Very high71 Ų71100.4 Ų100.444%0.43652%0.516SS..Hα-helixtrans-63-45.5174.951.40000111.5W15 K16 A21 V22 C23W15-T19 HydrophobicContact CE3-CG2 4.34Å; W15-T19 WeakPolarHBondContact O-CG2 3.22Å; W15-T19 PolarHBondContact O-N 3.48Å; W15-T19 PolarHBondContact O-OG1 3.44Å; W15-T19 VanDerWaalsContact O-OG1 3.09Å; K16-T19 PolarHBondContact O-OG1 3.13Å; K16-T19 VanDerWaalsContact O-OG1 3.04Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 2.79Å; T19-V22 PolarHBondContact O-N 2.98Å; T19-C23 PolarHBondContact O-N 3.32Å; T19-C23 PolarHBondContact O-SG 3.49Å
20L94.3Very high91.5Very high115 Ų115101 Ų10160%0.60252%0.519SS*.Hα-helixtrans-59-45.3175.6-174.2149.3000111.6K16 V22 C23 V24K16-L20 WeakPolarHBondContact O-CB 3.25Å; K16-L20 PolarHBondContact O-N 3.09Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 PolarHBondContact O-N 3.11Å; L20-C23 PolarHBondContact O-N 2.75Å; L20-V24 HydrophobicContact CD2-CG2 4.01Å; L20-V24 WeakPolarHBondContact O-CG2 3.16Å; L20-V24 PolarHBondContact O-N 3Å
21A92.7Very high92.3Very high45 Ų45103.6 Ų103.637%0.37252%0.52SS..Hα-helixtrans-60.9-42.9177.300000112.1K17 S18 T19 V24 L25K17-A21 WeakPolarHBondContact O-CB 3.47Å; K17-A21 PolarHBondContact O-N 3.29Å; S18-A21 PolarHBondContact O-N 3.32Å; T19-A21 VanDerWaalsContact C-N 3.34Å; T19-A21 PolarHBondContact O-N 2.79Å; A21-V24 PolarHBondContact O-N 3.39Å; A21-L25 WeakPolarHBondContact O-CB 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.27Å; A21-L25 WeakPolarHBondContact O-CG 3.44Å; A21-L25 PolarHBondContact O-N 2.84Å
22V94.4Very high93.1Very high96 Ų96105 Ų10558%0.58253%0.528SS*.Hα-helixtrans-62.6-45.1176170.90000111.1S18 T19 L20 V24 L25 S26S18-V22 VanDerWaalsContact O-CG2 3.32Å; S18-V22 WeakPolarHBondContact O-CG2 3.37Å; S18-V22 PolarHBondContact O-N 3.49Å; T19-V22 PolarHBondContact O-N 2.98Å; L20-V22 VanDerWaalsContact C-N 3.35Å; L20-V22 PolarHBondContact O-N 3.11Å; V22-V24 PolarHBondContact O-N 2.84Å; V22-L25 PolarHBondContact O-N 2.87Å; V22-S26 WeakPolarHBondContact O-CB 3.4Å; V22-S26 PolarHBondContact O-N 3.29Å; V22-S26 PolarHBondContact O-OG 3.25Å; V22-S26 VanDerWaalsContact O-OG 3.1Å
23C95.4Very high93.8Very high82 Ų82103.8 Ų103.855%0.55452%0.524SS*.Hα-helixtrans-62-41.7177.1-68.60000112.5T19 L20 S26 Y27T19-C23 PolarHBondContact O-N 3.32Å; T19-C23 PolarHBondContact O-SG 3.49Å; L20-C23 PolarHBondContact O-N 2.75Å; C23-S26 PolarHBondContact O-OG 3.12Å; C23-Y27 VanDerWaalsContact O-CB 3.24Å; C23-Y27 WeakPolarHBondContact O-CB 3.44Å; C23-Y27 PolarHBondContact O-N 2.89Å
24V96.3Very high94.1Very high90 Ų90100.2 Ų100.255%0.54551%0.512SS..Hα-helixtrans-68.1-42.9178.3171.60000110.9L20 A21 V22 G28L20-V24 HydrophobicContact CD2-CG2 4.01Å; L20-V24 WeakPolarHBondContact O-CG2 3.16Å; L20-V24 PolarHBondContact O-N 3Å; A21-V24 PolarHBondContact O-N 3.39Å; V22-V24 PolarHBondContact O-N 2.84Å; V24-G28 PolarHBondContact O-N 3.45Å
25L96.3Very high94.4Very high132 Ų132100.4 Ų100.469%0.69151%0.511SS*.Hα-helixtrans-67.7-40.8178.3-73.4171.6000112.2A21 V22 G28 G29A21-L25 WeakPolarHBondContact O-CB 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.27Å; A21-L25 WeakPolarHBondContact O-CG 3.44Å; A21-L25 PolarHBondContact O-N 2.84Å; V22-L25 PolarHBondContact O-N 2.87Å; L25-G28 PolarHBondContact O-N 2.72Å; L25-G29 PolarHBondContact O-N 3.06Å
26S96.3Very high94.8Very high74 Ų7498.2 Ų98.252%0.51751%0.508SS..Hα-helixtrans-66.1-44.7177.365.60000111.2V22 C23 G29 Y30V22-S26 WeakPolarHBondContact O-CB 3.4Å; V22-S26 PolarHBondContact O-N 3.29Å; V22-S26 PolarHBondContact O-OG 3.25Å; V22-S26 VanDerWaalsContact O-OG 3.1Å; C23-S26 PolarHBondContact O-OG 3.12Å; S26-G29 PolarHBondContact O-N 2.98Å; S26-Y30 WeakPolarHBondContact O-CB 3.48Å; S26-Y30 PolarHBondContact O-N 2.83Å
27Y97.1Very high95Very high161 Ų16193.2 Ų93.263%0.63149%0.491SS*.Hα-helixtrans-63.1-46.1174.9-179.9-97.5000112C23 G29 Y30 W31C23-Y27 VanDerWaalsContact O-CB 3.24Å; C23-Y27 WeakPolarHBondContact O-CB 3.44Å; C23-Y27 PolarHBondContact O-N 2.89Å; Y27-G29 PolarHBondContact O-N 2.84Å; Y27-Y30 PolarHBondContact O-N 2.88Å; Y27-W31 WeakPolarHBondContact O-CB 3.41Å; Y27-W31 PolarHBondContact O-N 2.59Å
28G97.4Very high95.2Very high26 Ų2687.1 Ų87.127%0.26847%0.465SS..Hα-helixtrans-62.6-41.2177.500000112.6V24 L25 W31 L32V24-G28 PolarHBondContact O-N 3.45Å; L25-G28 PolarHBondContact O-N 2.72Å; G28-W31 PolarHBondContact O-N 3Å; G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 WeakPolarHBondContact O-CG 3.3Å; G28-L32 PolarHBondContact O-N 2.98Å
29G97.6Very high95.5Very high38 Ų3888.8 Ų88.839%0.39248%0.477SS..Hα-helixtrans-62.4-45.6173.900000112.3L25 S26 Y27 L32 Y33L25-G29 PolarHBondContact O-N 3.06Å; S26-G29 PolarHBondContact O-N 2.98Å; Y27-G29 PolarHBondContact O-N 2.84Å; G29-L32 PolarHBondContact O-N 3.37Å; G29-Y33 VanDerWaalsContact O-CB 3.32Å; G29-Y33 WeakPolarHBondContact O-CB 3.4Å; G29-Y33 PolarHBondContact O-N 3.35Å
30Y96.3Very high95.8Very high177 Ų17788 Ų8869%0.69447%0.472SS*.Hα-helixtrans-61-44.6174.5177.9-99.3000112.1S26 Y27 Y33 G34S26-Y30 WeakPolarHBondContact O-CB 3.48Å; S26-Y30 PolarHBondContact O-N 2.83Å; Y27-Y30 PolarHBondContact O-N 2.88Å; Y30-Y33 PolarHBondContact O-N 3.27Å; Y30-G34 PolarHBondContact O-N 3.39Å
31W95.9Very high95.9Very high136 Ų13684.1 Ų84.152%0.51545%0.453SS..Hα-helixtrans-62.8-44.4177.1178.388.7000112.4Y27 G28 G34 K35Y27-W31 WeakPolarHBondContact O-CB 3.41Å; Y27-W31 PolarHBondContact O-N 2.59Å; G28-W31 PolarHBondContact O-N 3Å; W31-G34 PolarHBondContact O-N 2.88Å; W31-K35 HydrophobicContact CD2-CG 4.34Å; W31-K35 HydrophobicContact CE3-CG 4.45Å; W31-K35 HydrophobicContact CH2-CG 4.19Å; W31-K35 HydrophobicContact CZ2-CD 4.45Å; W31-K35 HydrophobicContact CZ2-CG 4.07Å; W31-K35 HydrophobicContact CZ3-CG 4.38Å; W31-K35 WeakPolarHBondContact O-CG 3.09Å; W31-K35 PolarHBondContact O-N 3.02Å
32L96.9Very high96.1Very high107 Ų10784.6 Ų84.656%0.5645%0.445SS*.Hα-helixtrans-63.7-41.7175.9-78.5172.5000111.7G28 G29 G34 K35 H36G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 WeakPolarHBondContact O-CG 3.3Å; G28-L32 PolarHBondContact O-N 2.98Å; G29-L32 PolarHBondContact O-N 3.37Å; L32-G34 VanDerWaalsContact C-N 3.35Å; L32-K35 WeakPolarHBondContact O-CB 3.46Å; L32-K35 PolarHBondContact O-N 3.18Å; L32-H36 PolarHBondContact O-N 3.47Å
33Y96.1Very high96.2Very high152 Ų15288.3 Ų88.360%0.59645%0.449SS*.Hα-helixtrans-60-45.8175.3180-103.6000111.2G29 Y30 K35 H36 C37G29-Y33 VanDerWaalsContact O-CB 3.32Å; G29-Y33 WeakPolarHBondContact O-CB 3.4Å; G29-Y33 PolarHBondContact O-N 3.35Å; Y30-Y33 PolarHBondContact O-N 3.27Å; Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.13Å; Y33-H36 WeakPolarHBondContact O-CB 3.29Å; Y33-H36 PolarHBondContact O-N 3.01Å; Y33-H36 VanDerWaalsContact O-N 3.1Å; Y33-C37 VanDerWaalsContact CE1-SG 3.57Å; Y33-C37 VanDerWaalsContact CZ-SG 3.53Å; Y33-C37 PolarHBondContact O-N 3.23Å; Y33-C37 PolarHBondContact O-SG 2.87Å; Y33-C37 VanDerWaalsContact O-SG 3.33Å
34G94.8Very high96.2Very high29 Ų2989.5 Ų89.530%0.29945%0.446SS..Hα-helixtrans-56.5-44.4173.300000112.8Y30 W31 L32 H36 C37 D38Y30-G34 PolarHBondContact O-N 3.39Å; W31-G34 PolarHBondContact O-N 2.88Å; L32-G34 VanDerWaalsContact C-N 3.35Å; G34-H36 VanDerWaalsContact C-N 3.32Å; G34-H36 PolarHBondContact O-N 2.95Å; G34-C37 PolarHBondContact O-N 3.27Å; G34-D38 VanDerWaalsContact O-CG 3.31Å; G34-D38 PolarHBondContact O-N 2.73Å
35K94.6Very high96.2Very high96 Ų9685.4 Ų85.442%0.41742%0.422SS..Hα-helixtrans-62.6-36.7175.2-71.7-62.8-175.4-167.60113.4W31 L32 Y33 S39W31-K35 HydrophobicContact CD2-CG 4.34Å; W31-K35 HydrophobicContact CE3-CG 4.45Å; W31-K35 HydrophobicContact CH2-CG 4.19Å; W31-K35 HydrophobicContact CZ2-CD 4.45Å; W31-K35 HydrophobicContact CZ2-CG 4.07Å; W31-K35 HydrophobicContact CZ3-CG 4.38Å; W31-K35 WeakPolarHBondContact O-CG 3.09Å; W31-K35 PolarHBondContact O-N 3.02Å; L32-K35 WeakPolarHBondContact O-CB 3.46Å; L32-K35 PolarHBondContact O-N 3.18Å; Y33-K35 VanDerWaalsContact C-N 3.33Å; Y33-K35 PolarHBondContact O-N 3.13Å; K35-S39 PolarHBondContact O-N 2.99Å; K35-S39 PolarHBondContact O-OG 3.39Å
36H96.3Very high96.3Very high117 Ų11780.7 Ų80.754%0.54240%0.399SS..Hα-helixtrans-66-49.5175.1-177.770.6000110.8L32 Y33 G34 D38 S39 V40L32-H36 PolarHBondContact O-N 3.47Å; Y33-H36 WeakPolarHBondContact O-CB 3.29Å; Y33-H36 PolarHBondContact O-N 3.01Å; Y33-H36 VanDerWaalsContact O-N 3.1Å; G34-H36 VanDerWaalsContact C-N 3.32Å; G34-H36 PolarHBondContact O-N 2.95Å; H36-D38 VanDerWaalsContact C-N 3.32Å; H36-D38 PolarHBondContact O-N 2.7Å; H36-S39 WeakPolarHBondContact O-CA 3.24Å; H36-S39 WeakPolarHBondContact O-CB 3.23Å; H36-S39 PolarHBondContact O-N 2.87Å; H36-V40 WeakPolarHBondContact O-CG2 3.23Å; H36-V40 PolarHBondContact O-N 3.37Å
37C95.2Very high96.3Very high40 Ų4081.6 Ų81.627%0.2740%0.396SS..Hα-helixtrans-55.7-45.6175.8-66.10000111.9Y33 G34 S39 V40 V41Y33-C37 VanDerWaalsContact CE1-SG 3.57Å; Y33-C37 VanDerWaalsContact CZ-SG 3.53Å; Y33-C37 PolarHBondContact O-N 3.23Å; Y33-C37 PolarHBondContact O-SG 2.87Å; Y33-C37 VanDerWaalsContact O-SG 3.33Å; G34-C37 PolarHBondContact O-N 3.27Å; C37-S39 PolarHBondContact O-N 2.66Å; C37-V40 PolarHBondContact O-N 3.38Å; C37-V40 VanDerWaalsContact O-N 3.17Å; C37-V41 WeakPolarHBondContact O-CG2 3.44Å; C37-V41 PolarHBondContact O-N 3.28Å
38D95.3Very high96.2Very high20 Ų2077.8 Ų77.811%0.10739%0.386CS..Hα-helixtrans-58.2-36.4175.3-68.8-13.2000112.2G34 H36 R42 N173 V175G34-D38 VanDerWaalsContact O-CG 3.31Å; G34-D38 PolarHBondContact O-N 2.73Å; H36-D38 VanDerWaalsContact C-N 3.32Å; H36-D38 PolarHBondContact O-N 2.7Å; D38-R42 VanDerWaalsContact C-NH1 3.31Å; D38-R42 VanDerWaalsContact CB-NH1 3.27Å; D38-R42 VanDerWaalsContact O-CG 3.3Å; D38-R42 WeakPolarHBondContact O-CG 3.19Å; D38-R42 PolarHBondContact O-N 2.9Å; D38-R42 VanDerWaalsContact O-N 3.09Å; D38-R42 PolarHBondContact O-NH1 2.92Å; D38-R42 IonicContact OD2-NH2 3.2Å; D38-N173 PolarHBondContact OD1-ND2 3.08Å; D38-V175 HydrophobicContact CB-CG1 4.43Å; D38-V175 HydrophobicContact CB-CG2 4.32Å
39S96.1Very high96.1Very high60 Ų6076.6 Ų76.642%0.4237%0.373SS..Hα-helixtrans-73.5-35-179.8-56.20000112K35 H36 C37 R43K35-S39 PolarHBondContact O-N 2.99Å; K35-S39 PolarHBondContact O-OG 3.39Å; H36-S39 WeakPolarHBondContact O-CA 3.24Å; H36-S39 WeakPolarHBondContact O-CB 3.23Å; H36-S39 PolarHBondContact O-N 2.87Å; C37-S39 PolarHBondContact O-N 2.66Å; S39-R43 WeakPolarHBondContact O-CB 3.29Å; S39-R43 PolarHBondContact O-N 2.89Å
40V96.6Very high96.1Very high55 Ų5580.8 Ų80.833%0.33338%0.377SS..Hα-helixtrans-63.4-48.7172.3174.80000110.2H36 C37 R42 R43 E44H36-V40 WeakPolarHBondContact O-CG2 3.23Å; H36-V40 PolarHBondContact O-N 3.37Å; C37-V40 PolarHBondContact O-N 3.38Å; C37-V40 VanDerWaalsContact O-N 3.17Å; V40-R42 VanDerWaalsContact C-N 3.34Å; V40-R42 PolarHBondContact O-N 3.26Å; V40-R43 WeakPolarHBondContact O-CB 3.5Å; V40-R43 PolarHBondContact O-N 3.25Å; V40-E44 HydrophobicContact CG1-CG 4.46Å; V40-E44 WeakPolarHBondContact CG1-OE1 3.24Å; V40-E44 WeakPolarHBondContact O-CG 3.35Å; V40-E44 PolarHBondContact O-N 3.29Å
41V95.8Very high96Very high34 Ų3478.1 Ų78.121%0.20637%0.371CS..Hα-helixtrans-57.5-45.7177.1173.10000111.5C37 R43 E44 A45 K176C37-V41 WeakPolarHBondContact O-CG2 3.44Å; C37-V41 PolarHBondContact O-N 3.28Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.27Å; V41-E44 PolarHBondContact O-N 2.99Å; V41-A45 WeakPolarHBondContact O-CB 3.24Å; V41-A45 PolarHBondContact O-N 2.92Å; V41-K176 HydrophobicContact CG1-CB 4.44Å
42R96.5Very high95.8Very high55 Ų5574.5 Ų74.521%0.20836%0.359CS..Hα-helixtrans-59.5-42.8175.3-72.9174.9-164.1100.612.8112.2D38 V40 A45 C46 N86 V175D38-R42 VanDerWaalsContact C-NH1 3.31Å; D38-R42 VanDerWaalsContact CB-NH1 3.27Å; D38-R42 VanDerWaalsContact O-CG 3.3Å; D38-R42 WeakPolarHBondContact O-CG 3.19Å; D38-R42 PolarHBondContact O-N 2.9Å; D38-R42 VanDerWaalsContact O-N 3.09Å; D38-R42 PolarHBondContact O-NH1 2.92Å; D38-R42 IonicContact OD2-NH2 3.2Å; V40-R42 VanDerWaalsContact C-N 3.34Å; V40-R42 PolarHBondContact O-N 3.26Å; R42-A45 PolarHBondContact O-N 3.48Å; R42-C46 WeakPolarHBondContact O-CB 3.28Å; R42-C46 PolarHBondContact O-N 3.3Å; R42-C46 PolarHBondContact O-SG 3.45Å; R42-N86 PolarHBondContact NE-OD1 3.13Å; R42-N86 PolarHBondContact NH2-OD1 3.43Å; R42-N86 VanDerWaalsContact NH2-OD1 3.1Å; R42-V175 HydrophobicContact CG-CG1 4.19Å
43R97.2Very high95.5Very high174 Ų17471 Ų7166%0.65735%0.349SS*.Hα-helixtrans-63.7-47.7-179.4179.1-179.8176.7171.80.8111S39 V40 V41 C46 Q47S39-R43 WeakPolarHBondContact O-CB 3.29Å; S39-R43 PolarHBondContact O-N 2.89Å; V40-R43 WeakPolarHBondContact O-CB 3.5Å; V40-R43 PolarHBondContact O-N 3.25Å; V41-R43 VanDerWaalsContact C-N 3.32Å; V41-R43 PolarHBondContact O-N 3.27Å; R43-C46 PolarHBondContact O-N 3.38Å; R43-Q47 VanDerWaalsContact O-CG 3.32Å; R43-Q47 WeakPolarHBondContact O-CG 3.3Å; R43-Q47 PolarHBondContact O-N 3.49Å
44E96.5Very high95.4Very high106 Ų10671.1 Ų71.150%0.49535%0.348SS..Hα-helixtrans-59.8-47.5177.2-71.3173.5-178.300110.8V40 V41 C46 Q47 L48V40-E44 HydrophobicContact CG1-CG 4.46Å; V40-E44 WeakPolarHBondContact CG1-OE1 3.24Å; V40-E44 WeakPolarHBondContact O-CG 3.35Å; V40-E44 PolarHBondContact O-N 3.29Å; V41-E44 PolarHBondContact O-N 2.99Å; E44-C46 VanDerWaalsContact C-N 3.34Å; E44-C46 PolarHBondContact O-N 2.87Å; E44-Q47 WeakPolarHBondContact O-CB 3.42Å; E44-Q47 PolarHBondContact O-N 3.33Å; E44-Q47 VanDerWaalsContact O-N 3.11Å; E44-L48 WeakPolarHBondContact O-CG 3.46Å; E44-L48 PolarHBondContact O-N 2.83Å
45A96.3Very high95.2Very high4 Ų475.8 Ų75.83%0.03336%0.362CS..Hα-helixtrans-60.9-40.7177.800000112.7V41 R42 Q47 L48 A49 I90 T179 L183V41-A45 WeakPolarHBondContact O-CB 3.24Å; V41-A45 PolarHBondContact O-N 2.92Å; R42-A45 PolarHBondContact O-N 3.48Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; A45-L48 PolarHBondContact O-N 3.42Å; A45-A49 WeakPolarHBondContact O-CB 3.44Å; A45-A49 PolarHBondContact O-N 3.26Å; A45-I90 HydrophobicContact CB-CD1 3.63Å; A45-I90 HydrophobicContact CB-CG1 4.23Å; A45-T179 HydrophobicContact CB-CG2 4.28Å; A45-L183 HydrophobicContact CB-CD1 3.88Å; A45-L183 HydrophobicContact CB-CG 4.47Å
46C97Very high95Very high33 Ų3380.3 Ų80.322%0.22338%0.384CS..Hα-helixtrans-67.5-33.7175.6-68.70000112.7R42 R43 E44 A49 R50 L93R42-C46 WeakPolarHBondContact O-CB 3.28Å; R42-C46 PolarHBondContact O-N 3.3Å; R42-C46 PolarHBondContact O-SG 3.45Å; R43-C46 PolarHBondContact O-N 3.38Å; E44-C46 VanDerWaalsContact C-N 3.34Å; E44-C46 PolarHBondContact O-N 2.87Å; C46-A49 PolarHBondContact O-N 3.06Å; C46-R50 WeakPolarHBondContact O-CB 3.42Å; C46-R50 PolarHBondContact O-N 3.27Å; C46-L93 HydrophobicContact CB-CD1 3.75Å
47Q96.6Very high94.7Very high94 Ų9478.9 Ų78.944%0.43938%0.38SS..Hα-helixtrans-65-46.6175.7-75172.1-18.200110.8R43 E44 A45 R50 E51R43-Q47 VanDerWaalsContact O-CG 3.32Å; R43-Q47 WeakPolarHBondContact O-CG 3.3Å; R43-Q47 PolarHBondContact O-N 3.49Å; E44-Q47 WeakPolarHBondContact O-CB 3.42Å; E44-Q47 PolarHBondContact O-N 3.33Å; E44-Q47 VanDerWaalsContact O-N 3.11Å; A45-Q47 VanDerWaalsContact C-N 3.34Å; Q47-R50 WeakPolarHBondContact O-CB 3.35Å; Q47-R50 PolarHBondContact O-N 3.22Å; Q47-E51 PolarHBondContact O-N 2.8Å
48L95.6Very high94.5Very high81 Ų8179.2 Ų79.242%0.42439%0.386SS..Hα-helixtrans-60.3-46.6174.1-65.5174.6000111.4E44 A45 R50 E51 F52 L183E44-L48 WeakPolarHBondContact O-CG 3.46Å; E44-L48 PolarHBondContact O-N 2.83Å; A45-L48 PolarHBondContact O-N 3.42Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 2.82Å; L48-E51 WeakPolarHBondContact O-CB 3.28Å; L48-E51 PolarHBondContact O-N 2.84Å; L48-F52 WeakPolarHBondContact O-CD2 3.27Å; L48-F52 PolarHBondContact O-N 2.89Å; L48-L183 HydrophobicContact CB-CD2 4.21Å; L48-L183 HydrophobicContact CD1-CD1 4.12Å
49A95.6Very high94.2Very high0 Ų085 Ų850%042%0.424CS..Hα-helixtrans-58-39.9176.700000112.7A45 C46 E51 F52 G53 I90 L93 L186A45-A49 WeakPolarHBondContact O-CB 3.44Å; A45-A49 PolarHBondContact O-N 3.26Å; C46-A49 PolarHBondContact O-N 3.06Å; A49-E51 VanDerWaalsContact C-N 3.25Å; A49-E51 PolarHBondContact O-N 2.86Å; A49-F52 WeakPolarHBondContact O-CB 3.37Å; A49-F52 PolarHBondContact O-N 2.88Å; A49-G53 PolarHBondContact O-N 2.84Å; A49-G53 VanDerWaalsContact O-N 3.09Å; A49-I90 HydrophobicContact CB-CB 4.32Å; A49-I90 HydrophobicContact CB-CG2 3.86Å; A49-I90 WeakPolarHBondContact CB-O 3.37Å; A49-L93 HydrophobicContact CB-CB 4.05Å; A49-L186 HydrophobicContact CB-CD1 4.4Å
50R96.2Very high93.9Very high127 Ų12791.5 Ų91.548%0.47945%0.448SS..Hα-helixtrans-64.4-30.9177-166.717988.4169.41.6112.2C46 Q47 L48 G53 R54C46-R50 WeakPolarHBondContact O-CB 3.42Å; C46-R50 PolarHBondContact O-N 3.27Å; Q47-R50 WeakPolarHBondContact O-CB 3.35Å; Q47-R50 PolarHBondContact O-N 3.22Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 2.82Å; R50-G53 PolarHBondContact O-N 2.93Å; R50-R54 VanDerWaalsContact CZ-NH2 3.27Å; R50-R54 VanDerWaalsContact NH2-CZ 3.3Å; R50-R54 WeakPolarHBondContact O-CB 3.48Å; R50-R54 VanDerWaalsContact O-CG 3.25Å; R50-R54 WeakPolarHBondContact O-CG 3.45Å; R50-R54 PolarHBondContact O-N 2.8Å; R50-R54 VanDerWaalsContact O-N 3.12Å
51E94.8Very high93.4Very high120 Ų12095 Ų9556%0.56146%0.461SS*.Hα-helixtrans-67.6-39.4174.8-68.3171.8-178.200111.3Q47 L48 A49 R54Q47-E51 PolarHBondContact O-N 2.8Å; L48-E51 WeakPolarHBondContact O-CB 3.28Å; L48-E51 PolarHBondContact O-N 2.84Å; A49-E51 VanDerWaalsContact C-N 3.25Å; A49-E51 PolarHBondContact O-N 2.86Å; E51-R54 PolarHBondContact O-N 3Å
52F91.6Very high93.1Very high61 Ų61102 Ų10227%0.26848%0.484SS..Hα-helixtrans-60.4-47171.2-71.2-79.9000111.9L48 A49 R54 Q55 A94 K187L48-F52 WeakPolarHBondContact O-CD2 3.27Å; L48-F52 PolarHBondContact O-N 2.89Å; A49-F52 WeakPolarHBondContact O-CB 3.37Å; A49-F52 PolarHBondContact O-N 2.88Å; F52-R54 PolarHBondContact O-N 3.1Å; F52-Q55 WeakPolarHBondContact O-CB 3.25Å; F52-Q55 VanDerWaalsContact O-CG 3.3Å; F52-Q55 WeakPolarHBondContact O-CG 3.37Å; F52-Q55 PolarHBondContact O-N 2.75Å; F52-A94 HydrophobicContact CB-CB 4.49Å; F52-K187 HydrophobicContact CZ-CG 3.99Å
53G91.4Very high92.7Very high34 Ų34103.5 Ų103.535%0.35150%0.495SS..Hα-helixtrans-69.6-14.4179.600000115.2A49 R50 Q55 L93A49-G53 PolarHBondContact O-N 2.84Å; A49-G53 VanDerWaalsContact O-N 3.09Å; R50-G53 PolarHBondContact O-N 2.93Å; G53-Q55 VanDerWaalsContact C-N 3.33Å; G53-L93 WeakPolarHBondContact CA-O 3.5Å
54R93.8Very high92.4Very high154 Ų154102.2 Ų102.258%0.58149%0.494SS*.THydrogen-bonded Turntrans-84.8-6.8175.5-80.7172.4168.7-162.8-12113.5R50 E51 F52 H56R50-R54 VanDerWaalsContact CZ-NH2 3.27Å; R50-R54 VanDerWaalsContact NH2-CZ 3.3Å; R50-R54 WeakPolarHBondContact O-CB 3.48Å; R50-R54 VanDerWaalsContact O-CG 3.25Å; R50-R54 WeakPolarHBondContact O-CG 3.45Å; R50-R54 PolarHBondContact O-N 2.8Å; R50-R54 VanDerWaalsContact O-N 3.12Å; E51-R54 PolarHBondContact O-N 3Å; F52-R54 PolarHBondContact O-N 3.1Å; R54-H56 PolarHBondContact O-N 2.81Å
55Q89.8Confident92.3Very high126 Ų126101.3 Ų101.359%0.58949%0.489SS*.SBendtrans-64.1135.2177.7-65.6177.6-2.500110.1F52 G53F52-Q55 WeakPolarHBondContact O-CB 3.25Å; F52-Q55 VanDerWaalsContact O-CG 3.3Å; F52-Q55 WeakPolarHBondContact O-CG 3.37Å; F52-Q55 PolarHBondContact O-N 2.75Å; G53-Q55 VanDerWaalsContact C-N 3.33Å
56H90.3Very high92.2Very high192 Ų192101.2 Ų101.289%0.88949%0.488SS*.  trans-75.8136.1177.8-67.3-80000110R54R54-H56 PolarHBondContact O-N 2.81Å
57I90.5Very high92.2Very high86 Ų86100.2 Ų100.244%0.44148%0.481SS..  trans-115.6142.1176.1-63.7174.2000107.7E61 L63I57-E61 HydrophobicContact CG2-CB 3.53Å; I57-L63 HydrophobicContact CD1-CD2 3.67Å
58A91.3Very high92.2Very high48 Ų4895.8 Ų95.840%0.39746%0.46SS..  trans-65.9145.1176.200000110.2Q60 E61A58-Q60 PolarHBondContact O-N 2.98Å; A58-E61 HydrophobicContact CB-CG 4.21Å; A58-E61 PolarHBondContact O-N 2.88Å
59P89.1Confident92.3Very high141 Ų14191.9 Ų91.992%0.91644%0.44SS*.THydrogen-bonded Turntrans-58.2-19.9-179-25.233.6000115
60Q89.1Confident92.3Very high196 Ų19691.9 Ų91.992%0.91644%0.44SS*.THydrogen-bonded Turntrans-89-18.2179.2-59.5-178.57.600113A58A58-Q60 PolarHBondContact O-N 2.98Å
61E87.5Confident92.2Very high130 Ų13087.6 Ų87.661%0.60743%0.426SS*.SBendtrans-84129.1179.1-75.2179.1-179.500109.9I57 A58I57-E61 HydrophobicContact CG2-CB 3.53Å; A58-E61 HydrophobicContact CB-CG 4.21Å; A58-E61 PolarHBondContact O-N 2.88Å
62R88.7Confident92.1Very high181 Ų18183.6 Ų83.668%0.68341%0.411SS*.PPolyproline II helixtrans-79148.8175.770.8-178.1-168.2-179.14.8110.4D120R62-D120 IonicContact CZ-OD1 3.37Å; R62-D120 IonicContact NH2-OD1 2.87Å; R62-D120 PolarHBondContact NH2-OD1 2.93Å; R62-D120 IonicContact NH2-OD2 3.49Å
63L88.6Confident92Very high86 Ų8684 Ų8445%0.4543%0.426SS..PPolyproline II helixtrans-60.7142.3169.2-64.7174.8000110I57I57-L63 HydrophobicContact CD1-CD2 3.67Å
64K91.2Very high91.8Very high146 Ų14683.1 Ų83.164%0.63542%0.415SS*.PPolyproline II helixtrans-65.9136.9173.4-66.6-178.9-178.5175.80109.2V96 E97 D120K64-V96 HydrophobicContact CB-CG1 4.41Å; K64-V96 VanDerWaalsContact O-CG1 3.24Å; K64-V96 WeakPolarHBondContact O-CG1 3.34Å; K64-E97 PolarHBondContact O-N 2.9Å; K64-D120 WeakPolarHBondContact CA-OD2 3.25Å
65K93.6Very high91.4Very high87 Ų8776.8 Ų76.838%0.37839%0.394SS..EExtended strand (participates in β ladder)trans-102.1124.6176.7-59.6-168.1178.3-145.20110.9E97 D120 M121K65-E97 WeakPolarHBondContact CA-O 3.18Å; K65-E97 WeakPolarHBondContact CE-OE2 3.29Å; K65-E97 HydrophobicContact CG-CB 4.28Å; K65-E97 IonicContact NZ-OE1 3.96Å; K65-E97 PolarHBondContact NZ-OE1 3.02Å; K65-E97 IonicContact NZ-OE2 3.98Å; K65-E97 PolarHBondContact NZ-OE2 3.45Å; K65-D120 PolarHBondContact N-OD2 2.93Å; K65-D120 PolarHBondContact O-N 2.88Å; K65-M121 PolarHBondContact O-N 2.86Å; K65-M121 VanDerWaalsContact O-N 3.14Å
66A94.9Very high91.2Very high2 Ų277.5 Ų77.52%0.01740%0.402CS..EExtended strand (participates in β ladder)trans-116.9129.7174.800000110.5V96 E97 I98 T99 M121 I123A66-V96 HydrophobicContact CB-CG1 3.68Å; A66-E97 PolarHBondContact N-O 2.73Å; A66-I98 WeakPolarHBondContact O-CA 3.36Å; A66-T99 PolarHBondContact O-N 2.87Å; A66-M121 WeakPolarHBondContact CA-O 3.28Å; A66-M121 HydrophobicContact CB-CB 4.13Å; A66-M121 HydrophobicContact CB-SD 4.27Å; A66-I123 HydrophobicContact CB-CD1 4.2Å
67T96.1Very high91.1Very high13 Ų1370.4 Ų70.48%0.0838%0.381CS..EExtended strand (participates in β ladder)trans-103.7127.6168.6-66.80000109.5I69 T99 V101 M116 T119 M121 I123T67-I69 HydrophobicContact CG2-CD1 3.96Å; T67-T99 CarbonylContact C-O 3.47Å; T67-T99 WeakPolarHBondContact CA-O 3.49Å; T67-V101 HydrophobicContact CG2-CG2 4.3Å; T67-M116 VanDerWaalsContact CB-CE 3.43Å; T67-M116 HydrophobicContact CG2-CE 3.79Å; T67-M116 HydrophobicContact CG2-SD 4.09Å; T67-M116 WeakPolarHBondContact OG1-CE 3.42Å; T67-T119 WeakPolarHBondContact OG1-CG2 3.4Å; T67-M121 PolarHBondContact N-O 2.84Å; T67-M121 VanDerWaalsContact N-O 3.11Å; T67-I123 PolarHBondContact O-N 2.84Å
68V96.9Very high91.1Very high0 Ų072.4 Ų72.40%039%0.386CS..EExtended strand (participates in β ladder)trans-105120.4178-176.20000108.8F83 L91 I98 T99 V100 V101 I123 A125V68-F83 HydrophobicContact CG1-CE2 3.86Å; V68-F83 HydrophobicContact CG1-CZ 3.77Å; V68-F83 HydrophobicContact CG2-CZ 4.45Å; V68-L91 HydrophobicContact CG2-CD1 4.15Å; V68-I98 HydrophobicContact CG2-CG2 3.81Å; V68-T99 PolarHBondContact N-O 3.06Å; V68-V100 HydrophobicContact CB-CG1 4.41Å; V68-V100 HydrophobicContact CB-CG2 4.22Å; V68-V100 HydrophobicContact CG2-CG2 4.41Å; V68-V101 PolarHBondContact O-N 2.91Å; V68-I123 CarbonylContact C-O 3.53Å; V68-I123 VanDerWaalsContact CA-O 3.25Å; V68-I123 WeakPolarHBondContact CA-O 3.44Å; V68-I123 HydrophobicContact CB-CB 4.45Å; V68-I123 HydrophobicContact CG1-CB 4.46Å; V68-I123 HydrophobicContact CG1-CG2 4.28Å; V68-I123 HydrophobicContact CG2-CB 4.02Å; V68-I123 HydrophobicContact CG2-CD1 4.16Å; V68-I123 HydrophobicContact CG2-CG2 4.36Å; V68-A125 HydrophobicContact CG1-CB 4.11Å
69I96.9Very high91.2Very high0 Ų070.1 Ų70.10%037%0.367CS..EExtended strand (participates in β ladder)trans-96.5112.9170.1-56.4-51.3000108.3T67 V101 T103 A109 L112 M113 L122 I123 A125 V134T67-I69 HydrophobicContact CG2-CD1 3.96Å; I69-V101 HydrophobicContact CD1-CB 3.9Å; I69-V101 HydrophobicContact CD1-CG2 4.36Å; I69-T103 HydrophobicContact CG2-CG2 3.88Å; I69-A109 HydrophobicContact CG2-CB 4.1Å; I69-L112 HydrophobicContact CD1-CD2 3.55Å; I69-M113 HydrophobicContact CD1-CE 3.68Å; I69-M113 HydrophobicContact CG1-CE 3.85Å; I69-M113 HydrophobicContact CG1-SD 4.4Å; I69-L122 HydrophobicContact CG1-CD1 4.1Å; I69-I123 PolarHBondContact N-O 3.28Å; I69-A125 PolarHBondContact O-N 3.02Å; I69-V134 HydrophobicContact CB-CG2 4.23Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 HydrophobicContact CG2-CG2 3.93Å
70L96.5Very high91.5Very high0 Ų065.3 Ų65.30%033%0.334CS..EExtended strand (participates in β ladder)trans-112.8123.6-176.8173.763.2000110.4P72 F83 V100 V101 K102 T103 A125 L157L70-P72 VanDerWaalsContact O-CD 3.23Å; L70-P72 WeakPolarHBondContact O-CD 3.45Å; L70-F83 HydrophobicContact CD1-CB 3.99Å; L70-F83 HydrophobicContact CD1-CG 4.14Å; L70-F83 HydrophobicContact CD2-CB 4.27Å; L70-F83 HydrophobicContact CD2-CD1 3.85Å; L70-F83 HydrophobicContact CD2-CG 4.13Å; L70-V100 HydrophobicContact CB-CG1 4.37Å; L70-V100 HydrophobicContact CD2-CG1 4.46Å; L70-V101 PolarHBondContact N-O 3.14Å; L70-K102 HydrophobicContact CD2-CD 4.41Å; L70-K102 HydrophobicContact CD2-CG 4.29Å; L70-K102 WeakPolarHBondContact O-CA 3.39Å; L70-T103 PolarHBondContact O-N 2.96Å; L70-T103 PolarHBondContact O-OG1 2.77Å; L70-A125 WeakPolarHBondContact CA-O 3.35Å; L70-A125 HydrophobicContact CB-CB 4.45Å; L70-A125 HydrophobicContact CD1-CB 3.85Å; L70-L157 HydrophobicContact CD1-CD1 3.64Å
71N94.4Very high91.8Very high36 Ų3660.6 Ų60.619%0.19332%0.315CS..  trans-92.3103.3166.7-179.1-5.4000110.3A73 A74 A79 T103 A125 T130N71-A73 VanDerWaalsContact C-N 3.29Å; N71-A73 PolarHBondContact O-N 2.72Å; N71-A73 WeakPolarHBondContact OD1-CB 3.22Å; N71-A73 PolarHBondContact OD1-N 2.88Å; N71-A74 HydrophobicContact CB-CB 4.3Å; N71-A74 WeakPolarHBondContact O-CB 3.39Å; N71-A74 PolarHBondContact O-N 2.88Å; N71-A74 PolarHBondContact OD1-N 2.82Å; N71-A79 VanDerWaalsContact O-CB 3.28Å; N71-A79 WeakPolarHBondContact O-CB 3.34Å; N71-T103 WeakPolarHBondContact CA-OG1 3.47Å; N71-A125 PolarHBondContact N-O 3.13Å; N71-A125 VanDerWaalsContact N-O 3.17Å; N71-T130 HydrophobicContact CB-CG2 3.84Å; N71-T130 WeakPolarHBondContact CB-OG1 3.5Å; N71-T130 PolarHBondContact ND2-OG1 2.84Å
72P92.6Very high92.2Very high36 Ų3656.2 Ų56.223%0.23430%0.295CS..THydrogen-bonded Turntrans-67.5-28.3-178.629.2-35000113L70 A74 G77 N80 T103L70-P72 VanDerWaalsContact O-CD 3.23Å; L70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 PolarHBondContact O-N 2.95Å; P72-G77 CarbonylContact O-C 3.6Å; P72-G77 WeakPolarHBondContact O-CA 3.38Å; P72-N80 HydrophobicContact CB-CB 3.98Å; P72-T103 WeakPolarHBondContact CD-O 3.47Å; P72-T103 VanDerWaalsContact CG-O 3.31Å; P72-T103 WeakPolarHBondContact CG-O 3.41Å
73A89.6Confident92.6Very high71 Ų7147.6 Ų47.659%0.58726%0.263SS*.THydrogen-bonded Turntrans-74.5-17.2-178.600000113N71 G77N71-A73 VanDerWaalsContact C-N 3.29Å; N71-A73 PolarHBondContact O-N 2.72Å; N71-A73 WeakPolarHBondContact OD1-CB 3.22Å; N71-A73 PolarHBondContact OD1-N 2.88Å; A73-G77 PolarHBondContact O-N 3.12Å
74A86.1Confident93Very high14 Ų1447.4 Ų47.412%0.11626%0.26CS..Hα-helixtrans-58.8152.7179.300000113N71 P72 N76 G77 K78 A79N71-A74 HydrophobicContact CB-CB 4.3Å; N71-A74 WeakPolarHBondContact O-CB 3.39Å; N71-A74 PolarHBondContact O-N 2.88Å; N71-A74 PolarHBondContact OD1-N 2.82Å; P72-A74 VanDerWaalsContact C-N 3.28Å; P72-A74 PolarHBondContact O-N 2.95Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 2.89Å; A74-G77 PolarHBondContact O-N 2.75Å; A74-K78 PolarHBondContact O-N 3.1Å; A74-A79 HydrophobicContact CB-CB 3.79Å; A74-A79 VanDerWaalsContact O-CB 3.3Å; A74-A79 WeakPolarHBondContact O-CB 3.45Å; A74-A79 PolarHBondContact O-N 3.2Å
75S85.9Confident93.2Very high21 Ų2147.1 Ų47.115%0.14726%0.258CS..Hα-helixtrans53.345.5-179176.80000113.1K78 L157 K174S75-K78 WeakPolarHBondContact O-CB 3.28Å; S75-K78 PolarHBondContact O-N 3.43Å; S75-L157 WeakPolarHBondContact CB-O 3.49Å; S75-K174 PolarHBondContact OG-NZ 3.17Å
76N85.6Confident93.4Very high141 Ų14143.1 Ų43.175%0.75424%0.241SC*.Hα-helixtrans60.145.8-178.6-53.3-31.7000112.6A74 K78A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 2.89Å; N76-K78 VanDerWaalsContact C-N 3.26Å; N76-K78 PolarHBondContact O-N 2.82Å
77G87.7Confident93.4Very high43 Ų4343 Ų4344%0.44324%0.24SC..Hα-helixtrans7310.2177.800000115.3P72 A73 A74P72-G77 CarbonylContact O-C 3.6Å; P72-G77 WeakPolarHBondContact O-CA 3.38Å; A73-G77 PolarHBondContact O-N 3.12Å; A74-G77 PolarHBondContact O-N 2.75Å
78K91.6Very high93.5Very high128 Ų12842.6 Ų42.656%0.55724%0.239SC*.THydrogen-bonded Turntrans-93.2-13.5-178.9-63.9176.9-176.5173.80113.1A74 S75 N76 N80 N81 L82A74-K78 PolarHBondContact O-N 3.1Å; S75-K78 WeakPolarHBondContact O-CB 3.28Å; S75-K78 PolarHBondContact O-N 3.43Å; N76-K78 VanDerWaalsContact C-N 3.26Å; N76-K78 PolarHBondContact O-N 2.82Å; K78-N80 PolarHBondContact O-N 3Å; K78-N81 PolarHBondContact O-N 3Å; K78-L82 HydrophobicContact CB-CD1 4.27Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.47Å
79A93.3Very high93.5Very high0 Ų044.9 Ų44.90%025%0.253CS..Hα-helixtrans-57.6-44.7-173.600000112.9N71 A74 N81 L82 F83 L157N71-A79 VanDerWaalsContact O-CB 3.28Å; N71-A79 WeakPolarHBondContact O-CB 3.34Å; A74-A79 HydrophobicContact CB-CB 3.79Å; A74-A79 VanDerWaalsContact O-CB 3.3Å; A74-A79 WeakPolarHBondContact O-CB 3.45Å; A74-A79 PolarHBondContact O-N 3.2Å; A79-N81 PolarHBondContact O-N 3.17Å; A79-L82 PolarHBondContact O-N 2.79Å; A79-F83 WeakPolarHBondContact O-CB 3.31Å; A79-F83 PolarHBondContact O-N 3.21Å; A79-L157 HydrophobicContact CB-CB 4.06Å; A79-L157 HydrophobicContact CB-CD1 4.19Å
80N95.5Very high93.5Very high40 Ų4045 Ų4521%0.21425%0.254CS..Hα-helixtrans-57.1-50.1177.4-175.565000111.9P72 K78 L82 F83 E84 K102P72-N80 HydrophobicContact CB-CB 3.98Å; K78-N80 PolarHBondContact O-N 3Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 2.9Å; N80-F83 PolarHBondContact O-N 3.35Å; N80-E84 WeakPolarHBondContact O-CB 3.49Å; N80-E84 WeakPolarHBondContact O-CG 2.88Å; N80-E84 PolarHBondContact O-N 3.4Å; N80-K102 PolarHBondContact OD1-NZ 2.81Å
81N95.4Very high93.4Very high98 Ų9845.1 Ų45.152%0.52426%0.255SS..Hα-helixtrans-65.3-32.7178.9-73.7-28000113K78 A79 K85K78-N81 PolarHBondContact O-N 3Å; A79-N81 PolarHBondContact O-N 3.17Å; N81-K85 WeakPolarHBondContact O-CB 3.31Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.37Å; N81-K85 PolarHBondContact O-N 3Å
82L95.6Very high93.5Very high37 Ų3749.1 Ų49.119%0.19427%0.272CS..Hα-helixtrans-70.9-42.1175.9-72.7170.3000111.4K78 A79 N80 N86 L157 K174 I178K78-L82 HydrophobicContact CB-CD1 4.27Å; K78-L82 WeakPolarHBondContact O-CG 3.47Å; K78-L82 PolarHBondContact O-N 3.47Å; A79-L82 PolarHBondContact O-N 2.79Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 2.9Å; L82-N86 VanDerWaalsContact O-CB 3.22Å; L82-N86 WeakPolarHBondContact O-CB 3.37Å; L82-N86 VanDerWaalsContact O-CG 3.27Å; L82-N86 PolarHBondContact O-N 2.93Å; L82-N86 PolarHBondContact O-ND2 2.73Å; L82-L157 HydrophobicContact CB-CD2 4.07Å; L82-K174 HydrophobicContact CD1-CD 4.35Å; L82-I178 HydrophobicContact CB-CD1 4.2Å
83F97Very high93.6Very high1 Ų150.9 Ų50.90%0.00428%0.279CS..Hα-helixtrans-62.8-54.6177.2180-99.9000111.4V68 L70 A79 N80 K85 N86 A87 A88 L91 V100 A125 I155 L157V68-F83 HydrophobicContact CG1-CE2 3.86Å; V68-F83 HydrophobicContact CG1-CZ 3.77Å; V68-F83 HydrophobicContact CG2-CZ 4.45Å; L70-F83 HydrophobicContact CD1-CB 3.99Å; L70-F83 HydrophobicContact CD1-CG 4.14Å; L70-F83 HydrophobicContact CD2-CB 4.27Å; L70-F83 HydrophobicContact CD2-CD1 3.85Å; L70-F83 HydrophobicContact CD2-CG 4.13Å; A79-F83 WeakPolarHBondContact O-CB 3.31Å; A79-F83 PolarHBondContact O-N 3.21Å; N80-F83 PolarHBondContact O-N 3.35Å; F83-K85 PolarHBondContact O-N 3.47Å; F83-N86 PolarHBondContact O-N 3.37Å; F83-A87 HydrophobicContact CD2-CB 3.77Å; F83-A87 HydrophobicContact CE2-CB 3.88Å; F83-A87 PolarHBondContact O-N 2.94Å; F83-A88 HydrophobicContact CD1-CB 4.21Å; F83-A88 HydrophobicContact CE1-CB 3.83Å; F83-A88 HydrophobicContact CZ-CB 4.33Å; F83-A88 PolarHBondContact O-N 3.06Å; F83-L91 HydrophobicContact CE2-CD1 4.23Å; F83-L91 HydrophobicContact CZ-CD1 4.1Å; F83-V100 HydrophobicContact CE1-CG1 4.25Å; F83-V100 HydrophobicContact CE1-CG2 4.25Å; F83-V100 HydrophobicContact CZ-CG2 4.45Å; F83-A125 HydrophobicContact CD2-CB 3.92Å; F83-A125 HydrophobicContact CE2-CB 4.16Å; F83-I155 HydrophobicContact CE2-CD1 4.12Å; F83-L157 HydrophobicContact CB-CD1 3.84Å; F83-L157 HydrophobicContact CD2-CD1 4.31Å; F83-L157 HydrophobicContact CG-CD1 4.49Å
84E96.3Very high93.8Very high81 Ų8148 Ų4838%0.37926%0.255SS..Hα-helixtrans-60.3-32.1-177-64.6-72.9179.600112.2N80 P89 K102N80-E84 WeakPolarHBondContact O-CB 3.49Å; N80-E84 WeakPolarHBondContact O-CG 2.88Å; N80-E84 PolarHBondContact O-N 3.4Å; E84-P89 WeakPolarHBondContact O-CD 3.27Å; E84-K102 IonicContact OE1-NZ 3.92Å; E84-K102 PolarHBondContact OE1-NZ 3.08Å
85K96Very high94Very high140 Ų14049.1 Ų49.161%0.60927%0.268SS*.Hα-helixtrans-86-35.3179.9-71.8-178.5-179.8-175.10114.4N81 F83N81-K85 WeakPolarHBondContact O-CB 3.31Å; N81-K85 VanDerWaalsContact O-CG 3.23Å; N81-K85 WeakPolarHBondContact O-CG 3.37Å; N81-K85 PolarHBondContact O-N 3Å; F83-K85 PolarHBondContact O-N 3.47Å
86N96.7Very high94.2Very high3 Ų349.5 Ų49.52%0.01627%0.269CS..Hα-helixtrans-110.8-32.4-166.2-53-40.7000113.1R42 L82 F83 I90 I178 T179R42-N86 PolarHBondContact NE-OD1 3.13Å; R42-N86 PolarHBondContact NH2-OD1 3.43Å; R42-N86 VanDerWaalsContact NH2-OD1 3.1Å; L82-N86 VanDerWaalsContact O-CB 3.22Å; L82-N86 WeakPolarHBondContact O-CB 3.37Å; L82-N86 VanDerWaalsContact O-CG 3.27Å; L82-N86 PolarHBondContact O-N 2.93Å; L82-N86 PolarHBondContact O-ND2 2.73Å; F83-N86 PolarHBondContact O-N 3.37Å; N86-I90 WeakPolarHBondContact O-CD1 3.47Å; N86-I178 HydrophobicContact CB-CB 4.35Å; N86-I178 HydrophobicContact CB-CG2 3.77Å; N86-T179 HydrophobicContact CB-CG2 4.33Å
87A96.8Very high94.6Very high0 Ų046.8 Ų46.80%025%0.252CS..THydrogen-bonded Turntrans-112-43.8-173.100000113F83 I90 L91 I155 I178 T182F83-A87 HydrophobicContact CD2-CB 3.77Å; F83-A87 HydrophobicContact CE2-CB 3.88Å; F83-A87 PolarHBondContact O-N 2.94Å; A87-I90 WeakPolarHBondContact O-CB 3.34Å; A87-I90 PolarHBondContact O-N 2.87Å; A87-I90 VanDerWaalsContact O-N 3.1Å; A87-L91 PolarHBondContact O-N 3.17Å; A87-L91 VanDerWaalsContact O-N 3.08Å; A87-I155 HydrophobicContact CB-CD1 4.16Å; A87-I178 HydrophobicContact CB-CG2 3.98Å; A87-T182 HydrophobicContact CB-CG2 4.26Å; A87-T182 WeakPolarHBondContact CB-OG1 3.47Å
88A96.7Very high94.9Very high5 Ų546 Ų464%0.04124%0.238CC..Hα-helixtrans-55.5-44.3-177.100000113.6F83 I90 L91 H92F83-A88 HydrophobicContact CD1-CB 4.21Å; F83-A88 HydrophobicContact CE1-CB 3.83Å; F83-A88 HydrophobicContact CZ-CB 4.33Å; F83-A88 PolarHBondContact O-N 3.06Å; A88-I90 VanDerWaalsContact C-N 3.31Å; A88-I90 PolarHBondContact O-N 3.29Å; A88-L91 PolarHBondContact O-N 3.07Å; A88-H92 PolarHBondContact O-CD2 3.42Å; A88-H92 PolarHBondContact O-N 3.33Å
89P96.7Very high95.1Very high48 Ų4843.4 Ų43.431%0.31223%0.232SC..Hα-helixtrans-62.8-37.3178.5-22.534.9000112.8E84 L93E84-P89 WeakPolarHBondContact O-CD 3.27Å; P89-L93 WeakPolarHBondContact O-CB 3.36Å; P89-L93 WeakPolarHBondContact O-CD1 3.41Å; P89-L93 WeakPolarHBondContact O-CG 3.15Å; P89-L93 PolarHBondContact O-N 3.16Å
90I97.1Very high95.2Very high1 Ų145.8 Ų45.81%0.00525%0.247CC..Hα-helixtrans-63.8-48.5178.6-65.8174000109.7A45 A49 N86 A87 A88 L93 A94 T179 T182 L183 L186A45-I90 HydrophobicContact CB-CD1 3.63Å; A45-I90 HydrophobicContact CB-CG1 4.23Å; A49-I90 HydrophobicContact CB-CB 4.32Å; A49-I90 HydrophobicContact CB-CG2 3.86Å; A49-I90 WeakPolarHBondContact CB-O 3.37Å; N86-I90 WeakPolarHBondContact O-CD1 3.47Å; A87-I90 WeakPolarHBondContact O-CB 3.34Å; A87-I90 PolarHBondContact O-N 2.87Å; A87-I90 VanDerWaalsContact O-N 3.1Å; A88-I90 VanDerWaalsContact C-N 3.31Å; A88-I90 PolarHBondContact O-N 3.29Å; I90-L93 PolarHBondContact O-N 2.84Å; I90-A94 PolarHBondContact O-N 2.77Å; I90-T179 HydrophobicContact CD1-CG2 3.91Å; I90-T182 HydrophobicContact CB-CG2 3.97Å; I90-T182 HydrophobicContact CG2-CG2 3.59Å; I90-L183 HydrophobicContact CG2-CD2 3.96Å; I90-L183 HydrophobicContact CG2-CG 4.43Å; I90-L186 HydrophobicContact CG2-CD1 3.57Å
91L95.8Very high95.2Very high4 Ų445.9 Ų45.92%0.02125%0.249CC..Hα-helixtrans-61.7-49.3179.8-65.3174.1000110.8V68 F83 A87 A88 L93 A94 I98 I123 T182 L186V68-L91 HydrophobicContact CG2-CD1 4.15Å; F83-L91 HydrophobicContact CE2-CD1 4.23Å; F83-L91 HydrophobicContact CZ-CD1 4.1Å; A87-L91 PolarHBondContact O-N 3.17Å; A87-L91 VanDerWaalsContact O-N 3.08Å; A88-L91 PolarHBondContact O-N 3.07Å; L91-L93 VanDerWaalsContact C-N 3.29Å; L91-L93 PolarHBondContact O-N 2.73Å; L91-A94 WeakPolarHBondContact O-CB 3.31Å; L91-A94 PolarHBondContact O-N 3.12Å; L91-A94 VanDerWaalsContact O-N 3.11Å; L91-I98 HydrophobicContact CB-CD1 3.45Å; L91-I98 VanDerWaalsContact CB-CD1 3.45Å; L91-I98 HydrophobicContact CB-CG1 4.23Å; L91-I98 VanDerWaalsContact O-CD1 3.25Å; L91-I98 WeakPolarHBondContact O-CD1 3.42Å; L91-I123 HydrophobicContact CD1-CD1 4.31Å; L91-I123 HydrophobicContact CD2-CD1 3.96Å; L91-T182 HydrophobicContact CD1-CG2 4.46Å; L91-T182 HydrophobicContact CD2-CG2 3.64Å; L91-T182 HydrophobicContact CG-CG2 3.72Å; L91-L186 HydrophobicContact CD2-CD2 4.18Å
92H95Very high95.2Very high119 Ų11945.2 Ų45.255%0.55124%0.241SC*.Hα-helixtrans-64.4-30.7-178.6-72.7-58.6000113.8A88 A94A88-H92 PolarHBondContact O-CD2 3.42Å; A88-H92 PolarHBondContact O-N 3.33Å; H92-A94 VanDerWaalsContact C-N 3.3Å
93L95.8Very high95.2Very high74 Ų7443.7 Ų43.739%0.38723%0.233SC..Hα-helixtrans-75.7-17.7176.6-72.7172.3000113.5C46 A49 G53 P89 I90 L91 G95C46-L93 HydrophobicContact CB-CD1 3.75Å; A49-L93 HydrophobicContact CB-CB 4.05Å; G53-L93 WeakPolarHBondContact CA-O 3.5Å; P89-L93 WeakPolarHBondContact O-CB 3.36Å; P89-L93 WeakPolarHBondContact O-CD1 3.41Å; P89-L93 WeakPolarHBondContact O-CG 3.15Å; P89-L93 PolarHBondContact O-N 3.16Å; I90-L93 PolarHBondContact O-N 2.84Å; L91-L93 VanDerWaalsContact C-N 3.29Å; L91-L93 PolarHBondContact O-N 2.73Å; L93-G95 VanDerWaalsContact C-N 3.3Å; L93-G95 PolarHBondContact O-N 2.76Å
94A93.1Very high94.9Very high11 Ų1150 Ų509%0.09127%0.267CS..THydrogen-bonded Turntrans-82.1-1.9-172.700000114.7F52 I90 L91 H92 V96 L186F52-A94 HydrophobicContact CB-CB 4.49Å; I90-A94 PolarHBondContact O-N 2.77Å; L91-A94 WeakPolarHBondContact O-CB 3.31Å; L91-A94 PolarHBondContact O-N 3.12Å; L91-A94 VanDerWaalsContact O-N 3.11Å; H92-A94 VanDerWaalsContact C-N 3.3Å; A94-V96 HydrophobicContact CB-CG2 4.36Å; A94-L186 HydrophobicContact CB-CD1 3.49Å; A94-L186 VanDerWaalsContact CB-CD1 3.49Å; A94-L186 HydrophobicContact CB-CD2 3.49Å; A94-L186 VanDerWaalsContact CB-CD2 3.49Å; A94-L186 HydrophobicContact CB-CG 4.1Å
95G89.8Confident94.6Very high36 Ų3652.1 Ų52.137%0.37127%0.273SS..THydrogen-bonded Turntrans73.931.8-18000000113.9L93L93-G95 VanDerWaalsContact C-N 3.3Å; L93-G95 PolarHBondContact O-N 2.76Å
96V91.4Very high94.2Very high30 Ų3053 Ų5318%0.18228%0.279CS..  trans-108.6138.8176.9-1770000109.3K64 A66 A94 I98 L186K64-V96 HydrophobicContact CB-CG1 4.41Å; K64-V96 VanDerWaalsContact O-CG1 3.24Å; K64-V96 WeakPolarHBondContact O-CG1 3.34Å; A66-V96 HydrophobicContact CB-CG1 3.68Å; A94-V96 HydrophobicContact CB-CG2 4.36Å; V96-I98 HydrophobicContact CB-CD1 4.43Å; V96-I98 HydrophobicContact CB-CG1 4.28Å; V96-I98 HydrophobicContact CG1-CG1 4.24Å; V96-I98 WeakPolarHBondContact O-CD1 3.24Å; V96-I98 PolarHBondContact O-N 3.04Å; V96-L186 HydrophobicContact CG2-CD2 4.4Å
97E93.2Very high93.7Very high84 Ų8453.8 Ų53.839%0.39329%0.288SS..EExtended strand (participates in β ladder)trans-75.7107.8172.9-175-174.6156.500108.6K64 K65 A66K64-E97 PolarHBondContact O-N 2.9Å; K65-E97 WeakPolarHBondContact CA-O 3.18Å; K65-E97 WeakPolarHBondContact CE-OE2 3.29Å; K65-E97 HydrophobicContact CG-CB 4.28Å; K65-E97 IonicContact NZ-OE1 3.96Å; K65-E97 PolarHBondContact NZ-OE1 3.02Å; K65-E97 IonicContact NZ-OE2 3.98Å; K65-E97 PolarHBondContact NZ-OE2 3.45Å; A66-E97 PolarHBondContact N-O 2.73Å
98I94.8Very high93.5Very high27 Ų2755.7 Ų55.714%0.13830%0.297CS..EExtended strand (participates in β ladder)trans-108.3124.1-172-62.5139.2000110.3A66 V68 L91 V96 V100A66-I98 WeakPolarHBondContact O-CA 3.36Å; V68-I98 HydrophobicContact CG2-CG2 3.81Å; L91-I98 HydrophobicContact CB-CD1 3.45Å; L91-I98 VanDerWaalsContact CB-CD1 3.45Å; L91-I98 HydrophobicContact CB-CG1 4.23Å; L91-I98 VanDerWaalsContact O-CD1 3.25Å; L91-I98 WeakPolarHBondContact O-CD1 3.42Å; V96-I98 HydrophobicContact CB-CD1 4.43Å; V96-I98 HydrophobicContact CB-CG1 4.28Å; V96-I98 HydrophobicContact CG1-CG1 4.24Å; V96-I98 WeakPolarHBondContact O-CD1 3.24Å; V96-I98 PolarHBondContact O-N 3.04Å; I98-V100 HydrophobicContact CG2-CG2 3.82Å
99T95.3Very high93.3Very high73 Ų7355.5 Ų55.545%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-109.2114.3169.2-58.70000108.8A66 T67 V68 V101A66-T99 PolarHBondContact O-N 2.87Å; T67-T99 CarbonylContact C-O 3.47Å; T67-T99 WeakPolarHBondContact CA-O 3.49Å; V68-T99 PolarHBondContact N-O 3.06Å; T99-V101 HydrophobicContact CG2-CG2 4.28Å
100V95.8Very high93Very high50 Ų5055.6 Ų55.630%0.30329%0.29SS..EExtended strand (participates in β ladder)trans-96.3119.2177.5-174.40000109.4V68 L70 F83 I98V68-V100 HydrophobicContact CB-CG1 4.41Å; V68-V100 HydrophobicContact CB-CG2 4.22Å; V68-V100 HydrophobicContact CG2-CG2 4.41Å; L70-V100 HydrophobicContact CB-CG1 4.37Å; L70-V100 HydrophobicContact CD2-CG1 4.46Å; F83-V100 HydrophobicContact CE1-CG1 4.25Å; F83-V100 HydrophobicContact CE1-CG2 4.25Å; F83-V100 HydrophobicContact CZ-CG2 4.45Å; I98-V100 HydrophobicContact CG2-CG2 3.82Å
101V95.4Very high92.7Very high42 Ų4261.2 Ų61.226%0.25532%0.315SS..EExtended strand (participates in β ladder)trans-110122174-169.40000109.1T67 V68 I69 L70 T99 L112T67-V101 HydrophobicContact CG2-CG2 4.3Å; V68-V101 PolarHBondContact O-N 2.91Å; I69-V101 HydrophobicContact CD1-CB 3.9Å; I69-V101 HydrophobicContact CD1-CG2 4.36Å; L70-V101 PolarHBondContact N-O 3.14Å; T99-V101 HydrophobicContact CG2-CG2 4.28Å; V101-L112 HydrophobicContact CB-CD2 3.96Å; V101-L112 HydrophobicContact CG1-CD2 3.41Å; V101-L112 VanDerWaalsContact CG1-CD2 3.41Å; V101-L112 HydrophobicContact CG2-CD2 4.39Å
102K95.6Very high92.5Very high83 Ų8363.6 Ų63.636%0.36133%0.327SS..EExtended strand (participates in β ladder)trans-93.5135.8178.2-56.4-170.8-175.9-1660108.7L70 N80 E84L70-K102 HydrophobicContact CD2-CD 4.41Å; L70-K102 HydrophobicContact CD2-CG 4.29Å; L70-K102 WeakPolarHBondContact O-CA 3.39Å; N80-K102 PolarHBondContact OD1-NZ 2.81Å; E84-K102 IonicContact OE1-NZ 3.92Å; E84-K102 PolarHBondContact OE1-NZ 3.08Å
103T94.4Very high92.3Very high6 Ų658 Ų584%0.03730%0.301CS..  trans-91137.3173.963.20000109.6I69 L70 N71 P72 A109I69-T103 HydrophobicContact CG2-CG2 3.88Å; L70-T103 PolarHBondContact O-N 2.96Å; L70-T103 PolarHBondContact O-OG1 2.77Å; N71-T103 WeakPolarHBondContact CA-OG1 3.47Å; P72-T103 WeakPolarHBondContact CD-O 3.47Å; P72-T103 VanDerWaalsContact CG-O 3.31Å; P72-T103 WeakPolarHBondContact CG-O 3.41Å; T103-A109 HydrophobicContact CG2-CB 3.91Å
104D91.6Very high91.9Very high132 Ų13258.4 Ų58.471%0.70630%0.301SS*.  trans-95.1-34.6-179.8-51.9-56.9000111.8Q108D104-Q108 VanDerWaalsContact CB-OE1 3.26Å; D104-Q108 PolarHBondContact OD2-NE2 3.39Å; D104-Q108 PolarHBondContact OD2-OE1 2.89Å
105Y90.2Very high91.6Very high127 Ų12765 Ų6550%0.49833%0.334SS..SBendtrans-145.7165.5-17866.4-86.6000113.2Q108Y105-Q108 HydrophobicContact CD1-CB 4.16Å; Y105-Q108 HydrophobicContact CD2-CB 4.29Å; Y105-Q108 HydrophobicContact CE1-CB 3.94Å; Y105-Q108 HydrophobicContact CE1-CG 4.03Å; Y105-Q108 HydrophobicContact CE2-CB 4.05Å; Y105-Q108 HydrophobicContact CG-CB 4.32Å; Y105-Q108 VanDerWaalsContact O-CB 3.25Å; Y105-Q108 WeakPolarHBondContact O-CB 3.39Å; Y105-Q108 PolarHBondContact O-N 2.79Å
106E86.1Confident91.4Very high157 Ų15764.4 Ų64.473%0.73432%0.322SS*.THydrogen-bonded Turntrans-61.6135.4178.9-169.6-178.515600112.1Q108 E133E106-Q108 PolarHBondContact O-N 2.81Å; E106-E133 WeakPolarHBondContact CG-OE1 3.45Å
107G86.8Confident91.1Very high20 Ų2070.9 Ų70.921%0.20635%0.35CS..THydrogen-bonded Turntrans77.5-2.7-176.700000114.8K110 K111 E133G107-K110 WeakPolarHBondContact O-CB 3.31Å; G107-K111 PolarHBondContact O-N 3.37Å; G107-E133 WeakPolarHBondContact CA-OE2 3.42Å; G107-E133 PolarHBondContact N-OE1 2.81Å; G107-E133 PolarHBondContact N-OE2 2.85Å
108Q92.6Very high90.6Very high41 Ų4172.8 Ų72.819%0.19236%0.359CS..Hα-helixtrans-68.4-37.2172-174.5178.20.900111.6D104 Y105 E106 K110 K111 L112D104-Q108 VanDerWaalsContact CB-OE1 3.26Å; D104-Q108 PolarHBondContact OD2-NE2 3.39Å; D104-Q108 PolarHBondContact OD2-OE1 2.89Å; Y105-Q108 HydrophobicContact CD1-CB 4.16Å; Y105-Q108 HydrophobicContact CD2-CB 4.29Å; Y105-Q108 HydrophobicContact CE1-CB 3.94Å; Y105-Q108 HydrophobicContact CE1-CG 4.03Å; Y105-Q108 HydrophobicContact CE2-CB 4.05Å; Y105-Q108 HydrophobicContact CG-CB 4.32Å; Y105-Q108 VanDerWaalsContact O-CB 3.25Å; Y105-Q108 WeakPolarHBondContact O-CB 3.39Å; Y105-Q108 PolarHBondContact O-N 2.79Å; E106-Q108 PolarHBondContact O-N 2.81Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 2.84Å; Q108-K111 PolarHBondContact O-N 3Å; Q108-L112 WeakPolarHBondContact O-CB 3.23Å; Q108-L112 PolarHBondContact O-N 3.24Å
109A91.9Very high90.3Very high0 Ų072.3 Ų72.30%036%0.358CS..Hα-helixtrans-59.4-43.7178.300000110.3I69 T103 L112 M113 E133 V134I69-A109 HydrophobicContact CG2-CB 4.1Å; T103-A109 HydrophobicContact CG2-CB 3.91Å; A109-L112 PolarHBondContact O-N 3.06Å; A109-M113 VanDerWaalsContact O-CG 3.27Å; A109-M113 WeakPolarHBondContact O-CG 3.46Å; A109-M113 PolarHBondContact O-N 3.04Å; A109-E133 HydrophobicContact CB-CB 4.06Å; A109-E133 VanDerWaalsContact CB-OE2 3.28Å; A109-E133 WeakPolarHBondContact CB-OE2 3.05Å; A109-V134 HydrophobicContact CB-CG2 3.98Å
110K91Very high90.2Very high51 Ų5171.5 Ų71.522%0.22235%0.351CS..Hα-helixtrans-57.4-50.2176.4-179.5178.3177.3174.60113G107 Q108 L112 M113 E114 E133 T136 R140G107-K110 WeakPolarHBondContact O-CB 3.31Å; Q108-K110 VanDerWaalsContact C-N 3.26Å; Q108-K110 PolarHBondContact O-N 2.84Å; K110-L112 VanDerWaalsContact C-N 3.34Å; K110-L112 PolarHBondContact O-N 3.12Å; K110-M113 PolarHBondContact O-N 3.35Å; K110-E114 PolarHBondContact O-N 2.94Å; K110-E133 HydrophobicContact CB-CB 4.44Å; K110-T136 HydrophobicContact CD-CG2 4.23Å; K110-R140 VanDerWaalsContact CE-CZ 3.44Å
111K91.1Very high90.1Very high118 Ų11870.3 Ų70.351%0.51334%0.342SS..Hα-helixtrans-63.9-39.9177.4-68.3177.9-174.8173.40112.2G107 Q108 M113 E114 L115G107-K111 PolarHBondContact O-N 3.37Å; Q108-K111 PolarHBondContact O-N 3Å; K111-M113 VanDerWaalsContact C-N 3.31Å; K111-M113 PolarHBondContact O-N 3.41Å; K111-E114 PolarHBondContact O-N 2.88Å; K111-L115 PolarHBondContact O-N 3.35Å
112L91.8Very high90.1Very high55 Ų5568.5 Ų68.529%0.28833%0.331SS..Hα-helixtrans-63.1-40.7177.1-179.570.3000111.1I69 V101 Q108 A109 K110 E114 L115 M116I69-L112 HydrophobicContact CD1-CD2 3.55Å; V101-L112 HydrophobicContact CB-CD2 3.96Å; V101-L112 HydrophobicContact CG1-CD2 3.41Å; V101-L112 VanDerWaalsContact CG1-CD2 3.41Å; V101-L112 HydrophobicContact CG2-CD2 4.39Å; Q108-L112 WeakPolarHBondContact O-CB 3.23Å; Q108-L112 PolarHBondContact O-N 3.24Å; A109-L112 PolarHBondContact O-N 3.06Å; K110-L112 VanDerWaalsContact C-N 3.34Å; K110-L112 PolarHBondContact O-N 3.12Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 2.95Å; L112-L115 PolarHBondContact O-N 3.27Å; L112-L115 VanDerWaalsContact O-N 3.13Å; L112-M116 WeakPolarHBondContact O-CB 3.46Å; L112-M116 PolarHBondContact O-N 3.36Å
113M91.2Very high90.2Very high0 Ų064.5 Ų64.50%031%0.314CS..Hα-helixtrans-63.7-30.6176.7-70.1-53.885.500113.1I69 A109 K110 K111 L115 M116 L122 V134 R141I69-M113 HydrophobicContact CD1-CE 3.68Å; I69-M113 HydrophobicContact CG1-CE 3.85Å; I69-M113 HydrophobicContact CG1-SD 4.4Å; A109-M113 VanDerWaalsContact O-CG 3.27Å; A109-M113 WeakPolarHBondContact O-CG 3.46Å; A109-M113 PolarHBondContact O-N 3.04Å; K110-M113 PolarHBondContact O-N 3.35Å; K111-M113 VanDerWaalsContact C-N 3.31Å; K111-M113 PolarHBondContact O-N 3.41Å; M113-L115 VanDerWaalsContact C-N 3.28Å; M113-L115 PolarHBondContact O-N 3.14Å; M113-M116 HydrophobicContact CE-CB 4.01Å; M113-M116 HydrophobicContact CE-CG 4.16Å; M113-M116 HydrophobicContact CE-SD 3.34Å; M113-M116 WeakPolarHBondContact CE-SD 3.4Å; M113-M116 HydrophobicContact SD-SD 3.79Å; M113-L122 HydrophobicContact SD-CD1 4.1Å; M113-L122 HydrophobicContact SD-CD2 4.08Å; M113-V134 HydrophobicContact CG-CB 4.3Å; M113-V134 HydrophobicContact CG-CG1 3.98Å; M113-V134 HydrophobicContact CG-CG2 4.35Å; M113-V134 HydrophobicContact SD-CG1 3.96Å; M113-R141 WeakPolarHBondContact O-CD 3.41Å; M113-R141 PolarHBondContact O-NH1 2.76Å
114E86.4Confident90.3Very high83 Ų8364.2 Ų64.239%0.38831%0.312SS..Hα-helixtrans-67.1-30.1174.3-69.2173.6-173.800112.7K110 K111 L112K110-E114 PolarHBondContact O-N 2.94Å; K111-E114 PolarHBondContact O-N 2.88Å; L112-E114 VanDerWaalsContact C-N 3.27Å; L112-E114 PolarHBondContact O-N 2.95Å
115L86.3Confident90.5Very high149 Ų14958 Ų5878%0.7828%0.278SS*.Hα-helixtrans-99.5-9-176.8-60.6175000113.8K111 L112 M113K111-L115 PolarHBondContact O-N 3.35Å; L112-L115 PolarHBondContact O-N 3.27Å; L112-L115 VanDerWaalsContact O-N 3.13Å; M113-L115 VanDerWaalsContact C-N 3.28Å; M113-L115 PolarHBondContact O-N 3.14Å
116M86.4Confident90.7Very high24 Ų2451.9 Ų51.912%0.11826%0.255CS..PPolyproline II helixtrans-66.5139.4-173-170.4-175.7152.500111.7T67 L112 M113 T119 L122 R141T67-M116 VanDerWaalsContact CB-CE 3.43Å; T67-M116 HydrophobicContact CG2-CE 3.79Å; T67-M116 HydrophobicContact CG2-SD 4.09Å; T67-M116 WeakPolarHBondContact OG1-CE 3.42Å; L112-M116 WeakPolarHBondContact O-CB 3.46Å; L112-M116 PolarHBondContact O-N 3.36Å; M113-M116 HydrophobicContact CE-CB 4.01Å; M113-M116 HydrophobicContact CE-CG 4.16Å; M113-M116 HydrophobicContact CE-SD 3.34Å; M113-M116 WeakPolarHBondContact CE-SD 3.4Å; M113-M116 HydrophobicContact SD-SD 3.79Å; M116-T119 HydrophobicContact CE-CG2 3.4Å; M116-T119 VanDerWaalsContact CE-CG2 3.4Å; M116-T119 WeakPolarHBondContact CE-OG1 3.34Å; M116-L122 HydrophobicContact CE-CD1 4.16Å; M116-L122 HydrophobicContact SD-CD1 4.07Å; M116-R141 PolarHBondContact O-NH1 3.2Å; M116-R141 PolarHBondContact O-NH2 2.83Å
117E84.6Confident91Very high166 Ų16644.9 Ų44.978%0.77622%0.224SC*.PPolyproline II helixtrans-74.5164.3171.5-65-175.518000111.7T119E117-T119 PolarHBondContact O-N 3.09Å
118Q82.9Confident91.3Very high124 Ų12444.3 Ų44.358%0.57922%0.217SC*.PPolyproline II helixtrans-70126-180-167.5164.78.900111.3F147Q118-F147 HydrophobicContact CB-CE1 4.26Å; Q118-F147 HydrophobicContact CB-CZ 3.91Å; Q118-F147 HydrophobicContact CG-CE1 4.39Å; Q118-F147 HydrophobicContact CG-CZ 4.31Å
119T89.7Confident91.2Very high18 Ų1843.1 Ų43.111%0.1122%0.215CC..  trans-119.1160.4174.960.90000111.4T67 M116 E117 M121 T150T67-T119 WeakPolarHBondContact OG1-CG2 3.4Å; M116-T119 HydrophobicContact CE-CG2 3.4Å; M116-T119 VanDerWaalsContact CE-CG2 3.4Å; M116-T119 WeakPolarHBondContact CE-OG1 3.34Å; E117-T119 PolarHBondContact O-N 3.09Å; T119-M121 VanDerWaalsContact C-N 3.29Å; T119-M121 PolarHBondContact OG1-O 3.28Å; T119-T150 VanDerWaalsContact O-CG2 3.28Å; T119-T150 WeakPolarHBondContact O-CG2 3.42Å; T119-T150 PolarHBondContact O-OG1 3.34Å
120D92.5Very high91.3Very high56 Ų5643.5 Ų43.530%0.29922%0.217SC..SBendtrans-75.3-25.1179.1-52.4-50.8000111.1R62 K64 K65 P151R62-D120 IonicContact CZ-OD1 3.37Å; R62-D120 IonicContact NH2-OD1 2.87Å; R62-D120 PolarHBondContact NH2-OD1 2.93Å; R62-D120 IonicContact NH2-OD2 3.49Å; K64-D120 WeakPolarHBondContact CA-OD2 3.25Å; K65-D120 PolarHBondContact N-OD2 2.93Å; K65-D120 PolarHBondContact O-N 2.88Å; D120-P151 WeakPolarHBondContact O-CD 3.25Å
121M93.4Very high91.5Very high24 Ų2441.3 Ų41.312%0.11821%0.208CC..EExtended strand (participates in β ladder)trans-147.1141.4179.6-169.2-171.4-77.300111.1K65 A66 T67 T119 I123 I185 F409K65-M121 PolarHBondContact O-N 2.86Å; K65-M121 VanDerWaalsContact O-N 3.14Å; A66-M121 WeakPolarHBondContact CA-O 3.28Å; A66-M121 HydrophobicContact CB-CB 4.13Å; A66-M121 HydrophobicContact CB-SD 4.27Å; T67-M121 PolarHBondContact N-O 2.84Å; T67-M121 VanDerWaalsContact N-O 3.11Å; T119-M121 VanDerWaalsContact C-N 3.29Å; T119-M121 PolarHBondContact OG1-O 3.28Å; M121-I123 HydrophobicContact CG-CG1 4.12Å; M121-I123 HydrophobicContact SD-CD1 3.76Å; M121-I123 HydrophobicContact SD-CG1 3.83Å; M121-I185 HydrophobicContact CE-CG2 3.76Å; M121-I185 HydrophobicContact SD-CG2 3.31Å; M121-I185 WeakPolarHBondContact SD-CG2 3.3Å; M121-F409 HydrophobicContact CE-CE1 4.15Å; M121-F409 HydrophobicContact CE-CE2 3.84Å; M121-F409 HydrophobicContact CE-CZ 3.42Å; M121-F409 VanDerWaalsContact CE-CZ 3.42Å; M121-F409 HydrophobicContact CG-CE2 3.59Å; M121-F409 HydrophobicContact CG-CZ 3.93Å; M121-F409 HydrophobicContact SD-CE2 3.96Å; M121-F409 HydrophobicContact SD-CZ 4.16Å
122L96Very high91.6Very high4 Ų435.7 Ų35.72%0.02118%0.184CC..EExtended strand (participates in β ladder)trans-116129.6170.6179.163.2000108.7I69 M113 M116 V134 P151 I152 G153I69-L122 HydrophobicContact CG1-CD1 4.1Å; M113-L122 HydrophobicContact SD-CD1 4.1Å; M113-L122 HydrophobicContact SD-CD2 4.08Å; M116-L122 HydrophobicContact CE-CD1 4.16Å; M116-L122 HydrophobicContact SD-CD1 4.07Å; L122-V134 HydrophobicContact CD2-CG1 3.69Å; L122-P151 PolarHBondContact N-O 3Å; L122-I152 HydrophobicContact CD2-CG1 4.41Å; L122-I152 CarbonylContact O-C 3.53Å; L122-I152 VanDerWaalsContact O-CA 3.26Å; L122-I152 WeakPolarHBondContact O-CA 3.46Å; L122-G153 PolarHBondContact O-N 3.32Å
123I97.2Very high91.7Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-120.1124.4179.3-59.2175.9000108.2A66 T67 V68 I69 L91 M121 G153 I155 I185A66-I123 HydrophobicContact CB-CD1 4.2Å; T67-I123 PolarHBondContact O-N 2.84Å; V68-I123 CarbonylContact C-O 3.53Å; V68-I123 VanDerWaalsContact CA-O 3.25Å; V68-I123 WeakPolarHBondContact CA-O 3.44Å; V68-I123 HydrophobicContact CB-CB 4.45Å; V68-I123 HydrophobicContact CG1-CB 4.46Å; V68-I123 HydrophobicContact CG1-CG2 4.28Å; V68-I123 HydrophobicContact CG2-CB 4.02Å; V68-I123 HydrophobicContact CG2-CD1 4.16Å; V68-I123 HydrophobicContact CG2-CG2 4.36Å; I69-I123 PolarHBondContact N-O 3.28Å; L91-I123 HydrophobicContact CD1-CD1 4.31Å; L91-I123 HydrophobicContact CD2-CD1 3.96Å; M121-I123 HydrophobicContact CG-CG1 4.12Å; M121-I123 HydrophobicContact SD-CD1 3.76Å; M121-I123 HydrophobicContact SD-CG1 3.83Å; I123-G153 CarbonylContact C-O 3.58Å; I123-G153 WeakPolarHBondContact CA-O 2.89Å; I123-I155 HydrophobicContact CG2-CD1 3.56Å; I123-I155 HydrophobicContact CG2-CG1 3.89Å; I123-I185 HydrophobicContact CD1-CG2 4.06Å; I123-I185 HydrophobicContact CG1-CG2 4.28Å; I123-I185 HydrophobicContact CG2-CD1 4.27Å
124V97Very high91.9Very high0 Ų034 Ų340%018%0.175CC..EExtended strand (participates in β ladder)trans-103.6120.2174.5-174.10000109T130 L131 V134 I152 G153 F154 I155V124-T130 HydrophobicContact CG1-CG2 3.99Å; V124-L131 HydrophobicContact CB-CD1 4.08Å; V124-L131 HydrophobicContact CG1-CB 4.38Å; V124-L131 HydrophobicContact CG1-CD1 4.27Å; V124-L131 HydrophobicContact CG2-CD1 3.97Å; V124-V134 HydrophobicContact CG1-CG2 4.36Å; V124-V134 HydrophobicContact CG2-CB 4.04Å; V124-V134 HydrophobicContact CG2-CG1 3.71Å; V124-V134 HydrophobicContact CG2-CG2 4.03Å; V124-I152 HydrophobicContact CG2-CG2 4.22Å; V124-G153 PolarHBondContact N-O 3.32Å; V124-F154 HydrophobicContact CB-CD2 4.47Å; V124-I155 PolarHBondContact O-N 3.5Å
125A96.4Very high92.3Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-113.495.4179.200000109.2V68 I69 L70 N71 F83 I155 L157V68-A125 HydrophobicContact CG1-CB 4.11Å; I69-A125 PolarHBondContact O-N 3.02Å; L70-A125 WeakPolarHBondContact CA-O 3.35Å; L70-A125 HydrophobicContact CB-CB 4.45Å; L70-A125 HydrophobicContact CD1-CB 3.85Å; N71-A125 PolarHBondContact N-O 3.13Å; N71-A125 VanDerWaalsContact N-O 3.17Å; F83-A125 HydrophobicContact CD2-CB 3.92Å; F83-A125 HydrophobicContact CE2-CB 4.16Å; A125-I155 HydrophobicContact CB-CB 4.27Å; A125-L157 HydrophobicContact CB-CD1 3.73Å
126G94.1Very high92.7Very high0 Ų023.2 Ų23.20%012%0.12CC..EExtended strand (participates in β ladder)trans-177.1-157-169.900000113.2I155 L157 G158 N161G126-I155 PolarHBondContact N-O 3.08Å; G126-L157 PolarHBondContact O-N 2.68Å; G126-G158 PolarHBondContact O-N 3.22Å; G126-N161 PolarHBondContact O-OD1 2.89Å
127G92.6Very high93Very high10 Ų1022.1 Ų22.110%0.10312%0.115CC..  trans-105.2-169.2167.500000111.8G129 T130 L131 N161G127-G129 PolarHBondContact O-N 2.88Å; G127-T130 PolarHBondContact O-N 2.71Å; G127-L131 PolarHBondContact O-N 3.11Å; G127-L131 VanDerWaalsContact O-N 3.17Å; G127-N161 WeakPolarHBondContact CA-OD1 3.17Å
128D91.3Very high93.4Very high8 Ų814.4 Ų14.44%0.0438%0.079CC..Hα-helixtrans-58.2-43.9-178.5-63.5-31.4000112.8T130 L131 Q132 N161 S162 D388 N389D128-T130 PolarHBondContact O-N 2.93Å; D128-L131 CarbonylContact O-C 3.59Å; D128-L131 WeakPolarHBondContact O-CA 3.48Å; D128-L131 WeakPolarHBondContact O-CB 3.12Å; D128-L131 PolarHBondContact O-N 3.14Å; D128-Q132 PolarHBondContact O-N 3.42Å; D128-N161 WeakPolarHBondContact OD1-CA 3.22Å; D128-S162 VanDerWaalsContact CG-N 3.28Å; D128-S162 PolarHBondContact OD1-N 2.68Å; D128-S162 VanDerWaalsContact OD2-CB 3.25Å; D128-S162 WeakPolarHBondContact OD2-CB 3.37Å; D128-S162 PolarHBondContact OD2-N 3.43Å; D128-S162 PolarHBondContact OD2-OG 3.31Å; D128-D388 WeakPolarHBondContact CB-O 3.48Å; D128-N389 PolarHBondContact OD2-ND2 2.89Å
129G91.3Very high93.9Very high16 Ų168.7 Ų8.717%0.1655%0.053CC..Hα-helixtrans-61.9-42.6179.100000114.2G127 L131 Q132 E133 E390G127-G129 PolarHBondContact O-N 2.88Å; G129-L131 VanDerWaalsContact C-N 3.25Å; G129-L131 PolarHBondContact O-N 3.03Å; G129-Q132 WeakPolarHBondContact O-CB 2.96Å; G129-Q132 PolarHBondContact O-N 3.21Å; G129-Q132 VanDerWaalsContact O-N 3.16Å; G129-E133 PolarHBondContact O-N 2.81Å; G129-E390 VanDerWaalsContact C-OE1 3.22Å; G129-E390 WeakPolarHBondContact CA-OE1 3.45Å
130T93.7Very high94Very high7 Ų710.2 Ų10.24%0.0436%0.056CC..Hα-helixtrans-62.4-35.8174.1-52.10000111.8N71 V124 G127 D128 V134N71-T130 HydrophobicContact CB-CG2 3.84Å; N71-T130 WeakPolarHBondContact CB-OG1 3.5Å; N71-T130 PolarHBondContact ND2-OG1 2.84Å; V124-T130 HydrophobicContact CG1-CG2 3.99Å; G127-T130 PolarHBondContact O-N 2.71Å; D128-T130 PolarHBondContact O-N 2.93Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.46Å; T130-V134 PolarHBondContact O-N 3.19Å
131L94.9Very high93.8Very high5 Ų58.6 Ų8.63%0.0265%0.046CC..Hα-helixtrans-67.8-43.6175.1-177.560.7000111.6V124 G127 D128 G129 V134 I135 F154 L163 L209 F408V124-L131 HydrophobicContact CB-CD1 4.08Å; V124-L131 HydrophobicContact CG1-CB 4.38Å; V124-L131 HydrophobicContact CG1-CD1 4.27Å; V124-L131 HydrophobicContact CG2-CD1 3.97Å; G127-L131 PolarHBondContact O-N 3.11Å; G127-L131 VanDerWaalsContact O-N 3.17Å; D128-L131 CarbonylContact O-C 3.59Å; D128-L131 WeakPolarHBondContact O-CA 3.48Å; D128-L131 WeakPolarHBondContact O-CB 3.12Å; D128-L131 PolarHBondContact O-N 3.14Å; G129-L131 VanDerWaalsContact C-N 3.25Å; G129-L131 PolarHBondContact O-N 3.03Å; L131-V134 PolarHBondContact O-N 2.8Å; L131-I135 HydrophobicContact CD1-CD1 3.85Å; L131-I135 HydrophobicContact CD1-CG1 4.34Å; L131-I135 HydrophobicContact CG-CD1 3.78Å; L131-I135 WeakPolarHBondContact O-CB 3.34Å; L131-I135 WeakPolarHBondContact O-CD1 3.06Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.27Å; L131-I135 PolarHBondContact O-N 3.28Å; L131-F154 HydrophobicContact CB-CE2 4.26Å; L131-F154 HydrophobicContact CD1-CD2 4.34Å; L131-F154 HydrophobicContact CD2-CD1 4.36Å; L131-F154 HydrophobicContact CD2-CD2 4Å; L131-F154 HydrophobicContact CD2-CE1 4.44Å; L131-F154 HydrophobicContact CD2-CE2 4.11Å; L131-F154 HydrophobicContact CD2-CG 4.14Å; L131-F154 HydrophobicContact CD2-CZ 4.34Å; L131-L163 HydrophobicContact CD2-CB 4.41Å; L131-L163 HydrophobicContact CD2-CD2 3.71Å; L131-L209 HydrophobicContact CD2-CD1 3.72Å; L131-L209 HydrophobicContact CG-CD1 4.09Å; L131-F408 HydrophobicContact CD1-CE1 3.99Å; L131-F408 HydrophobicContact CD1-CZ 4.11Å; L131-F408 HydrophobicContact CD2-CE1 4.43Å
132Q94.6Very high93.4Very high1 Ų113.9 Ų13.91%0.0058%0.082CC..Hα-helixtrans-61-45.2176-175.2-171.5-13.900112.1D128 G129 V134 I135 T136 V206 F207 I387 E390 Y392D128-Q132 PolarHBondContact O-N 3.42Å; G129-Q132 WeakPolarHBondContact O-CB 2.96Å; G129-Q132 PolarHBondContact O-N 3.21Å; G129-Q132 VanDerWaalsContact O-N 3.16Å; Q132-V134 PolarHBondContact O-N 2.8Å; Q132-I135 PolarHBondContact O-N 3.03Å; Q132-T136 WeakPolarHBondContact O-CB 3.45Å; Q132-T136 PolarHBondContact O-N 3.16Å; Q132-T136 PolarHBondContact O-OG1 2.75Å; Q132-V206 VanDerWaalsContact NE2-CG1 3.31Å; Q132-F207 WeakPolarHBondContact CG-O 3.43Å; Q132-I387 PolarHBondContact OE1-O 3.35Å; Q132-E390 PolarHBondContact OE1-OE2 3Å; Q132-E390 VanDerWaalsContact OE1-OE2 3.1Å; Q132-Y392 VanDerWaalsContact NE2-CE2 3.33Å; Q132-Y392 PolarHBondContact NE2-OH 2.85Å
133E94.2Very high92.8Very high20 Ų2016.9 Ų16.99%0.09310%0.098CC..Hα-helixtrans-59.1-46.2176.8-75.8-171.4-162.400111.8E106 G107 A109 K110 G129 T136 G137E106-E133 WeakPolarHBondContact CG-OE1 3.45Å; G107-E133 WeakPolarHBondContact CA-OE2 3.42Å; G107-E133 PolarHBondContact N-OE1 2.81Å; G107-E133 PolarHBondContact N-OE2 2.85Å; A109-E133 HydrophobicContact CB-CB 4.06Å; A109-E133 VanDerWaalsContact CB-OE2 3.28Å; A109-E133 WeakPolarHBondContact CB-OE2 3.05Å; K110-E133 HydrophobicContact CB-CB 4.44Å; G129-E133 PolarHBondContact O-N 2.81Å; E133-T136 PolarHBondContact O-N 2.8Å; E133-G137 PolarHBondContact O-N 2.76Å
134V95.1Very high92.2Very high0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-62.5-47.8179.8166.30000110.6I69 A109 M113 L122 V124 T130 L131 Q132 G137 L138I69-V134 HydrophobicContact CB-CG2 4.23Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 HydrophobicContact CG2-CG2 3.93Å; A109-V134 HydrophobicContact CB-CG2 3.98Å; M113-V134 HydrophobicContact CG-CB 4.3Å; M113-V134 HydrophobicContact CG-CG1 3.98Å; M113-V134 HydrophobicContact CG-CG2 4.35Å; M113-V134 HydrophobicContact SD-CG1 3.96Å; L122-V134 HydrophobicContact CD2-CG1 3.69Å; V124-V134 HydrophobicContact CG1-CG2 4.36Å; V124-V134 HydrophobicContact CG2-CB 4.04Å; V124-V134 HydrophobicContact CG2-CG1 3.71Å; V124-V134 HydrophobicContact CG2-CG2 4.03Å; T130-V134 VanDerWaalsContact O-CG2 3.29Å; T130-V134 WeakPolarHBondContact O-CG2 3.46Å; T130-V134 PolarHBondContact O-N 3.19Å; L131-V134 PolarHBondContact O-N 2.8Å; Q132-V134 PolarHBondContact O-N 2.8Å; V134-G137 PolarHBondContact O-N 3.48Å; V134-L138 WeakPolarHBondContact O-CB 3.43Å; V134-L138 PolarHBondContact O-N 3.04Å
135I94.9Very high91.5Very high2 Ų227.3 Ų27.31%0.0115%0.147CC..Hα-helixtrans-65.3-42.5-179.9-69.2166.2000111.1L131 Q132 G137 L138 L139 V195 F207 L209 L406 F408L131-I135 HydrophobicContact CD1-CD1 3.85Å; L131-I135 HydrophobicContact CD1-CG1 4.34Å; L131-I135 HydrophobicContact CG-CD1 3.78Å; L131-I135 WeakPolarHBondContact O-CB 3.34Å; L131-I135 WeakPolarHBondContact O-CD1 3.06Å; L131-I135 VanDerWaalsContact O-CG1 3.24Å; L131-I135 WeakPolarHBondContact O-CG1 3.27Å; L131-I135 PolarHBondContact O-N 3.28Å; Q132-I135 PolarHBondContact O-N 3.03Å; I135-G137 VanDerWaalsContact C-N 3.34Å; I135-G137 PolarHBondContact O-N 2.84Å; I135-L138 PolarHBondContact O-N 2.82Å; I135-L139 HydrophobicContact CG2-CD1 3.78Å; I135-L139 HydrophobicContact CG2-CG 4.35Å; I135-L139 WeakPolarHBondContact O-CB 3.33Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.82Å; I135-V195 HydrophobicContact CG2-CG1 4.42Å; I135-F207 HydrophobicContact CG2-CB 4Å; I135-L209 HydrophobicContact CD1-CD1 3.29Å; I135-L209 HydrophobicContact CD1-CD2 3.82Å; I135-L209 HydrophobicContact CD1-CG 3.41Å; I135-L209 VanDerWaalsContact CD1-CG 3.41Å; I135-L406 HydrophobicContact CB-CD1 4.46Å; I135-L406 HydrophobicContact CD1-CD1 4.21Å; I135-L406 HydrophobicContact CG1-CD1 4Å; I135-L406 HydrophobicContact CG2-CD1 3.73Å; I135-F408 HydrophobicContact CD1-CZ 4.04Å
136T94.4Very high90.6Very high3 Ų329.2 Ų29.22%0.01816%0.162CC..Hα-helixtrans-62.4-43.4177.3-65.90000110.8K110 Q132 E133 R140 F207K110-T136 HydrophobicContact CD-CG2 4.23Å; Q132-T136 WeakPolarHBondContact O-CB 3.45Å; Q132-T136 PolarHBondContact O-N 3.16Å; Q132-T136 PolarHBondContact O-OG1 2.75Å; E133-T136 PolarHBondContact O-N 2.8Å; T136-R140 HydrophobicContact CG2-CG 4.43Å; T136-R140 WeakPolarHBondContact O-CB 3.45Å; T136-R140 WeakPolarHBondContact O-CG 3.49Å; T136-R140 PolarHBondContact O-N 2.8Å; T136-R140 VanDerWaalsContact O-N 3.13Å; T136-F207 HydrophobicContact CG2-CD2 4.36Å; T136-F207 PolarHBondContact OG1-N 3.36Å; T136-F207 PolarHBondContact OG1-O 2.67Å
137G93Very high90.1Very high0 Ų029.5 Ų29.50%016%0.164CC..Hα-helixtrans-62.6-42.8174.300000112.3E133 V134 I135 R141E133-G137 PolarHBondContact O-N 2.76Å; V134-G137 PolarHBondContact O-N 3.48Å; I135-G137 VanDerWaalsContact C-N 3.34Å; I135-G137 PolarHBondContact O-N 2.84Å; G137-R141 WeakPolarHBondContact O-CG 3.29Å
138L92.9Very high89.6Confident4 Ų429.7 Ų29.72%0.02116%0.164CC..Hα-helixtrans-63.9-45-179.6-163.771.4000112.9V134 I135 R141 F147 I152 L406V134-L138 WeakPolarHBondContact O-CB 3.43Å; V134-L138 PolarHBondContact O-N 3.04Å; I135-L138 PolarHBondContact O-N 2.82Å; L138-R141 WeakPolarHBondContact O-CB 3.34Å; L138-F147 HydrophobicContact CD1-CB 3.64Å; L138-F147 HydrophobicContact CD1-CD1 3.73Å; L138-F147 HydrophobicContact CD1-CG 3.91Å; L138-F147 HydrophobicContact CD2-CB 4.39Å; L138-F147 HydrophobicContact CG-CB 3.98Å; L138-I152 HydrophobicContact CD2-CD1 4.05Å; L138-L406 HydrophobicContact CD2-CD2 4.15Å
139L92.9Very high89.3Confident5 Ų532.9 Ų32.93%0.02619%0.187CC..Hα-helixtrans-84.2-13.2-175-67.2179.1000113.8I135 R141 Q144 V195 F207 K405 L406I135-L139 HydrophobicContact CG2-CD1 3.78Å; I135-L139 HydrophobicContact CG2-CG 4.35Å; I135-L139 WeakPolarHBondContact O-CB 3.33Å; I135-L139 WeakPolarHBondContact O-CG 3.47Å; I135-L139 PolarHBondContact O-N 2.82Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-Q144 PolarHBondContact O-OE1 2.97Å; L139-V195 HydrophobicContact CD1-CB 4.41Å; L139-V195 HydrophobicContact CD1-CG1 3.79Å; L139-V195 HydrophobicContact CD1-CG2 4.32Å; L139-F207 HydrophobicContact CB-CD1 4.11Å; L139-F207 HydrophobicContact CB-CD2 3.71Å; L139-F207 HydrophobicContact CB-CE1 4.01Å; L139-F207 HydrophobicContact CB-CE2 3.59Å; L139-F207 HydrophobicContact CB-CG 3.95Å; L139-F207 HydrophobicContact CB-CZ 3.73Å; L139-F207 HydrophobicContact CD1-CB 4.02Å; L139-F207 HydrophobicContact CD1-CD1 3.59Å; L139-F207 HydrophobicContact CD1-CD2 4.37Å; L139-F207 HydrophobicContact CD1-CE1 4.07Å; L139-F207 HydrophobicContact CD1-CG 3.74Å; L139-F207 HydrophobicContact CG-CG 4.49Å; L139-K405 HydrophobicContact CD1-CG 4.49Å; L139-K405 HydrophobicContact CD2-CD 4.44Å; L139-K405 HydrophobicContact CD2-CG 3.97Å; L139-L406 HydrophobicContact CD1-CD1 4.47Å; L139-L406 HydrophobicContact CD2-CD2 4.12Å
140R91.1Very high89.3Confident50 Ų5032.7 Ų32.719%0.18918%0.182CC..THydrogen-bonded Turntrans-78.6-12.5170.9-77.7178.2-175.4-158.74.6113.4K110 T136 Q204 P205 F207K110-R140 VanDerWaalsContact CE-CZ 3.44Å; T136-R140 HydrophobicContact CG2-CG 4.43Å; T136-R140 WeakPolarHBondContact O-CB 3.45Å; T136-R140 WeakPolarHBondContact O-CG 3.49Å; T136-R140 PolarHBondContact O-N 2.8Å; T136-R140 VanDerWaalsContact O-N 3.13Å; R140-Q204 VanDerWaalsContact CZ-CB 3.48Å; R140-Q204 PolarHBondContact NH2-O 2.75Å; R140-P205 PolarHBondContact NE-O 2.77Å; R140-P205 VanDerWaalsContact NH2-C 3.3Å; R140-P205 PolarHBondContact NH2-O 3.18Å; R140-F207 HydrophobicContact CG-CE2 4.03Å
141R88.9Confident89.3Confident22 Ų2233.6 Ų33.68%0.08319%0.188CC..SBendtrans-69.2148.8-178.1-65.4174.366.4131.1-2.2112.5M113 M116 G137 L138 L139 D143 Q144 F147M113-R141 WeakPolarHBondContact O-CD 3.41Å; M113-R141 PolarHBondContact O-NH1 2.76Å; M116-R141 PolarHBondContact O-NH1 3.2Å; M116-R141 PolarHBondContact O-NH2 2.83Å; G137-R141 WeakPolarHBondContact O-CG 3.29Å; L138-R141 WeakPolarHBondContact O-CB 3.34Å; L139-R141 VanDerWaalsContact C-N 3.28Å; R141-D143 VanDerWaalsContact C-N 3.28Å; R141-D143 VanDerWaalsContact CB-OD1 3.25Å; R141-D143 WeakPolarHBondContact CB-OD1 3.43Å; R141-D143 IonicContact CZ-OD1 2.7Å; R141-D143 IonicContact CZ-OD2 2.8Å; R141-D143 IonicContact NE-OD1 3.28Å; R141-D143 PolarHBondContact NE-OD1 3.17Å; R141-D143 IonicContact NE-OD2 2.7Å; R141-D143 IonicContact NH2-OD1 3.02Å; R141-D143 PolarHBondContact NH2-OD1 3.41Å; R141-D143 IonicContact NH2-OD2 3.51Å; R141-D143 PolarHBondContact NH2-OD2 3.37Å; R141-D143 PolarHBondContact O-N 3.38Å; R141-Q144 WeakPolarHBondContact O-CB 3.35Å; R141-Q144 WeakPolarHBondContact O-CG 3.33Å; R141-Q144 PolarHBondContact O-N 3.33Å; R141-F147 VanDerWaalsContact NH2-CZ 3.34Å
142P84.4Confident89.4Confident135 Ų13533.4 Ų33.488%0.87719%0.187SC*.THydrogen-bonded Turntrans-66.3-30.7173.428.1-34.4000112.6Q144P142-Q144 VanDerWaalsContact C-N 3.34Å
143D84.6Confident89.5Confident67 Ų6733.3 Ų33.336%0.35819%0.187SC..THydrogen-bonded Turntrans-94.221.9179.460.9-16.5000113.4R141 E145 A146 F147R141-D143 VanDerWaalsContact C-N 3.28Å; R141-D143 VanDerWaalsContact CB-OD1 3.25Å; R141-D143 WeakPolarHBondContact CB-OD1 3.43Å; R141-D143 IonicContact CZ-OD1 2.7Å; R141-D143 IonicContact CZ-OD2 2.8Å; R141-D143 IonicContact NE-OD1 3.28Å; R141-D143 PolarHBondContact NE-OD1 3.17Å; R141-D143 IonicContact NE-OD2 2.7Å; R141-D143 IonicContact NH2-OD1 3.02Å; R141-D143 PolarHBondContact NH2-OD1 3.41Å; R141-D143 IonicContact NH2-OD2 3.51Å; R141-D143 PolarHBondContact NH2-OD2 3.37Å; R141-D143 PolarHBondContact O-N 3.38Å; D143-E145 PolarHBondContact O-N 3.39Å; D143-A146 PolarHBondContact O-N 3.28Å; D143-A146 VanDerWaalsContact O-N 3.08Å; D143-F147 VanDerWaalsContact OD2-CE2 3.28Å; D143-F147 WeakPolarHBondContact OD2-CE2 3.27Å
144Q83.4Confident89.7Confident59 Ų5932.4 Ų32.428%0.27618%0.182SC..Hα-helixtrans-52.1-27.9-17655.4164.7-22.600115.2L139 R141 P142 F147 S148L139-Q144 PolarHBondContact O-OE1 2.97Å; R141-Q144 WeakPolarHBondContact O-CB 3.35Å; R141-Q144 WeakPolarHBondContact O-CG 3.33Å; R141-Q144 PolarHBondContact O-N 3.33Å; P142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-F147 PolarHBondContact O-N 2.92Å; Q144-S148 VanDerWaalsContact O-CB 3.3Å; Q144-S148 WeakPolarHBondContact O-CB 3.43Å; Q144-S148 PolarHBondContact O-N 2.95Å; Q144-S148 PolarHBondContact O-OG 3.39Å
145E82Confident89.7Confident159 Ų15932.4 Ų32.474%0.74318%0.182SC*.Hα-helixtrans-66.3-37.5-179.7-65.4-172.6170.200112.4D143D143-E145 PolarHBondContact O-N 3.39Å
146A78.2Confident89.7Confident40 Ų4032.6 Ų32.633%0.33118%0.184SC..Hα-helixtrans-65.9-42.9176.900000110.6D143 S149D143-A146 PolarHBondContact O-N 3.28Å; D143-A146 VanDerWaalsContact O-N 3.08Å; A146-S149 PolarHBondContact O-N 2.73Å; A146-S149 PolarHBondContact O-OG 3.25Å
147F83.6Confident89.7Confident7 Ų732.4 Ų32.43%0.03118%0.183CC..Hα-helixtrans-78.7-25.5-177-76.7-90.2000114.2Q118 L138 R141 D143 Q144 S149 T150Q118-F147 HydrophobicContact CB-CE1 4.26Å; Q118-F147 HydrophobicContact CB-CZ 3.91Å; Q118-F147 HydrophobicContact CG-CE1 4.39Å; Q118-F147 HydrophobicContact CG-CZ 4.31Å; L138-F147 HydrophobicContact CD1-CB 3.64Å; L138-F147 HydrophobicContact CD1-CD1 3.73Å; L138-F147 HydrophobicContact CD1-CG 3.91Å; L138-F147 HydrophobicContact CD2-CB 4.39Å; L138-F147 HydrophobicContact CG-CB 3.98Å; R141-F147 VanDerWaalsContact NH2-CZ 3.34Å; D143-F147 VanDerWaalsContact OD2-CE2 3.28Å; D143-F147 WeakPolarHBondContact OD2-CE2 3.27Å; Q144-F147 PolarHBondContact O-N 2.92Å; F147-S149 PolarHBondContact O-N 2.69Å; F147-S149 VanDerWaalsContact O-N 3.17Å; F147-T150 WeakPolarHBondContact O-CB 3.27Å; F147-T150 PolarHBondContact O-N 3.1Å
148S82Confident89.4Confident14 Ų1432.7 Ų32.710%0.09819%0.185CC..Hα-helixtrans-59.3-25.5173.2-66.90000112.2Q144 K405Q144-S148 VanDerWaalsContact O-CB 3.3Å; Q144-S148 WeakPolarHBondContact O-CB 3.43Å; Q144-S148 PolarHBondContact O-N 2.95Å; Q144-S148 PolarHBondContact O-OG 3.39Å; S148-K405 VanDerWaalsContact CB-O 3.27Å; S148-K405 WeakPolarHBondContact CB-O 3.44Å; S148-K405 VanDerWaalsContact OG-CE 3.31Å; S148-K405 WeakPolarHBondContact OG-CE 3.36Å; S148-K405 PolarHBondContact OG-NZ 2.96Å
149S84.8Confident88.9Confident75 Ų7536.1 Ų36.152%0.52421%0.209SC..THydrogen-bonded Turntrans-82.2-19.6176.1750000114.1A146 F147A146-S149 PolarHBondContact O-N 2.73Å; A146-S149 PolarHBondContact O-OG 3.25Å; F147-S149 PolarHBondContact O-N 2.69Å; F147-S149 VanDerWaalsContact O-N 3.17Å
150T91.3Very high88.3Confident11 Ų1142.2 Ų42.27%0.06724%0.238CC..SBendtrans-72123.9178.8-61.10000109.4T119 F147T119-T150 VanDerWaalsContact O-CG2 3.28Å; T119-T150 WeakPolarHBondContact O-CG2 3.42Å; T119-T150 PolarHBondContact O-OG1 3.34Å; F147-T150 WeakPolarHBondContact O-CB 3.27Å; F147-T150 PolarHBondContact O-N 3.1Å
151P94.9Very high88.2Confident26 Ų2641.3 Ų41.317%0.16924%0.237CC..EExtended strand (participates in β ladder)trans-72.8137.5-178.432-37.7000111.9D120 L122 T190 R407 F409D120-P151 WeakPolarHBondContact O-CD 3.25Å; L122-P151 PolarHBondContact N-O 3Å; P151-T190 HydrophobicContact CB-CG2 3.83Å; P151-R407 CarbonylContact C-O 3.39Å; P151-R407 WeakPolarHBondContact CA-O 3.09Å; P151-F409 HydrophobicContact CB-CD2 4.38Å; P151-F409 HydrophobicContact CB-CE1 4.07Å; P151-F409 HydrophobicContact CB-CE2 3.61Å; P151-F409 HydrophobicContact CB-CZ 3.42Å; P151-F409 VanDerWaalsContact CB-CZ 3.42Å; P151-F409 HydrophobicContact CG-CE1 4.28Å; P151-F409 HydrophobicContact CG-CE2 3.93Å; P151-F409 HydrophobicContact CG-CZ 3.44Å; P151-F409 VanDerWaalsContact CG-CZ 3.44Å
152I96.8Very high88.2Confident1 Ų142.2 Ų42.21%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-105.7124.4-176.7-54.1177.2000109.9L122 V124 L138 L406 R407 F408 F409L122-I152 HydrophobicContact CD2-CG1 4.41Å; L122-I152 CarbonylContact O-C 3.53Å; L122-I152 VanDerWaalsContact O-CA 3.26Å; L122-I152 WeakPolarHBondContact O-CA 3.46Å; V124-I152 HydrophobicContact CG2-CG2 4.22Å; L138-I152 HydrophobicContact CD2-CD1 4.05Å; I152-L406 HydrophobicContact CD1-CD1 4.24Å; I152-L406 HydrophobicContact CD1-CD2 4.21Å; I152-R407 PolarHBondContact N-O 3.09Å; I152-F408 HydrophobicContact CB-CD1 4.21Å; I152-F408 HydrophobicContact CB-CE1 3.97Å; I152-F408 HydrophobicContact CB-CE2 4.32Å; I152-F408 HydrophobicContact CB-CG 4.49Å; I152-F408 HydrophobicContact CB-CZ 4.01Å; I152-F408 HydrophobicContact CD1-CE2 4.27Å; I152-F408 HydrophobicContact CD1-CZ 4.2Å; I152-F408 HydrophobicContact CG2-CD1 4.28Å; I152-F408 HydrophobicContact CG2-CE1 3.68Å; I152-F408 HydrophobicContact CG2-CZ 3.9Å; I152-F408 CarbonylContact O-C 3.6Å; I152-F408 VanDerWaalsContact O-CA 3.25Å; I152-F408 WeakPolarHBondContact O-CA 3.41Å; I152-F408 WeakPolarHBondContact O-CD1 3.17Å; I152-F409 WeakPolarHBondContact O-CD2 3.37Å; I152-F409 PolarHBondContact O-N 2.88Å
153G96.6Very high88.6Confident0 Ų036 Ų360%021%0.205CC..EExtended strand (participates in β ladder)trans-94.9135171.200000110.7L122 I123 V124L122-G153 PolarHBondContact O-N 3.32Å; I123-G153 CarbonylContact C-O 3.58Å; I123-G153 WeakPolarHBondContact CA-O 2.89Å; V124-G153 PolarHBondContact N-O 3.32Å
154F96.9Very high88.9Confident0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-113.8120.4174.1-178.8-131.9000110.4V124 L131 P156 N161 L167 H168 F408V124-F154 HydrophobicContact CB-CD2 4.47Å; L131-F154 HydrophobicContact CB-CE2 4.26Å; L131-F154 HydrophobicContact CD1-CD2 4.34Å; L131-F154 HydrophobicContact CD2-CD1 4.36Å; L131-F154 HydrophobicContact CD2-CD2 4Å; L131-F154 HydrophobicContact CD2-CE1 4.44Å; L131-F154 HydrophobicContact CD2-CE2 4.11Å; L131-F154 HydrophobicContact CD2-CG 4.14Å; L131-F154 HydrophobicContact CD2-CZ 4.34Å; F154-P156 HydrophobicContact CE1-CB 4.41Å; F154-N161 HydrophobicContact CE1-CB 3.98Å; F154-N161 HydrophobicContact CZ-CB 4.07Å; F154-L167 HydrophobicContact CB-CD1 4.27Å; F154-H168 PolarHBondContact O-NE2 3.41Å; F154-F408 HydrophobicContact CB-CE1 4.45Å
155I96.7Very high89.3Confident0 Ų032.4 Ų32.40%019%0.191CC..EExtended strand (participates in β ladder)trans-105111.2174.2-58.8177.6000108F83 A87 I123 V124 A125 G126 L157 I178 I185F83-I155 HydrophobicContact CE2-CD1 4.12Å; A87-I155 HydrophobicContact CB-CD1 4.16Å; I123-I155 HydrophobicContact CG2-CD1 3.56Å; I123-I155 HydrophobicContact CG2-CG1 3.89Å; V124-I155 PolarHBondContact O-N 3.5Å; A125-I155 HydrophobicContact CB-CB 4.27Å; G126-I155 PolarHBondContact N-O 3.08Å; I155-L157 HydrophobicContact CG2-CD2 4.08Å; I155-L157 HydrophobicContact CG2-CG 4.09Å; I155-L157 PolarHBondContact O-N 3.16Å; I155-I178 HydrophobicContact CG2-CG2 3.84Å; I155-I185 HydrophobicContact CD1-CD1 4.43Å; I155-I185 HydrophobicContact CG1-CD1 3.86Å
156P94.6Very high89.8Confident6 Ų625.1 Ų25.14%0.03916%0.158CC..EExtended strand (participates in β ladder)trans-75.787.4-172.631.2-36.5000111.4F154 N161 S164 A181F154-P156 HydrophobicContact CE1-CB 4.41Å; P156-N161 HydrophobicContact CB-CB 3.87Å; P156-N161 WeakPolarHBondContact CB-ND2 3.32Å; P156-S164 WeakPolarHBondContact CG-OG 3.4Å; P156-A181 HydrophobicContact CG-CB 4.46Å
157L93.6Very high90.5Very high0 Ų023.3 Ų23.30%014%0.142CC..  trans-95.4-18.9175.9-62.3-178000112.6L70 S75 A79 L82 F83 A125 G126 I155 K174 I178L70-L157 HydrophobicContact CD1-CD1 3.64Å; S75-L157 WeakPolarHBondContact CB-O 3.49Å; A79-L157 HydrophobicContact CB-CB 4.06Å; A79-L157 HydrophobicContact CB-CD1 4.19Å; L82-L157 HydrophobicContact CB-CD2 4.07Å; F83-L157 HydrophobicContact CB-CD1 3.84Å; F83-L157 HydrophobicContact CD2-CD1 4.31Å; F83-L157 HydrophobicContact CG-CD1 4.49Å; A125-L157 HydrophobicContact CB-CD1 3.73Å; G126-L157 PolarHBondContact O-N 2.68Å; I155-L157 HydrophobicContact CG2-CD2 4.08Å; I155-L157 HydrophobicContact CG2-CG 4.09Å; I155-L157 PolarHBondContact O-N 3.16Å; L157-K174 PolarHBondContact O-NZ 3.16Å; L157-I178 HydrophobicContact CD2-CD1 3.5Å; L157-I178 VanDerWaalsContact CD2-CD1 3.5Å; L157-I178 HydrophobicContact CD2-CG1 3.85Å; L157-I178 HydrophobicContact CD2-CG2 4.29Å
158G86.8Confident90.9Very high5 Ų523.1 Ų23.15%0.05214%0.142CC..SBendtrans-63.2172-17900000114.6G126 N161 K174G126-G158 PolarHBondContact O-N 3.22Å; G158-N161 WeakPolarHBondContact CA-OD1 3.11Å; G158-N161 PolarHBondContact N-OD1 3.23Å; G158-N161 PolarHBondContact O-ND2 3.38Å; G158-K174 PolarHBondContact O-NZ 2.91Å; G158-K174 VanDerWaalsContact O-NZ 3.08Å
159S82.5Confident91Very high76 Ų7627.5 Ų27.553%0.53116%0.159SC..SBendtrans-78.5-36.1170.4-56.90000111.4
160H80.8Confident90.8Very high133 Ų13327.3 Ų27.362%0.61615%0.152SC*.  trans-122.8130.7172.4-52.7101.9000107
161N89.2Confident90.4Very high32 Ų3228.4 Ų28.417%0.17116%0.16CC..  trans-138.485.3-178.9-56.9-62.5000107G126 G127 D128 F154 P156 G158 S164 P165G126-N161 PolarHBondContact O-OD1 2.89Å; G127-N161 WeakPolarHBondContact CA-OD1 3.17Å; D128-N161 WeakPolarHBondContact OD1-CA 3.22Å; F154-N161 HydrophobicContact CE1-CB 3.98Å; F154-N161 HydrophobicContact CZ-CB 4.07Å; P156-N161 HydrophobicContact CB-CB 3.87Å; P156-N161 WeakPolarHBondContact CB-ND2 3.32Å; G158-N161 WeakPolarHBondContact CA-OD1 3.11Å; G158-N161 PolarHBondContact N-OD1 3.23Å; G158-N161 PolarHBondContact O-ND2 3.38Å; N161-S164 PolarHBondContact O-N 3.28Å; N161-P165 WeakPolarHBondContact O-CD 3.3Å
162S89.4Confident89.9Confident40 Ų4035.8 Ų35.828%0.2820%0.198SC..SBendtrans-77.5-25.3-165-57.20000112.1D128 P165 I210 N389D128-S162 VanDerWaalsContact CG-N 3.28Å; D128-S162 PolarHBondContact OD1-N 2.68Å; D128-S162 VanDerWaalsContact OD2-CB 3.25Å; D128-S162 WeakPolarHBondContact OD2-CB 3.37Å; D128-S162 PolarHBondContact OD2-N 3.43Å; D128-S162 PolarHBondContact OD2-OG 3.31Å; S162-P165 WeakPolarHBondContact O-CD 3.12Å; S162-I210 VanDerWaalsContact C-CD1 3.45Å; S162-N389 PolarHBondContact OG-ND2 3.45Å
163L91.8Very high89.6Confident4 Ų438.2 Ų38.22%0.02121%0.211CC..SBendtrans-81.8-24.5172.7-167.278.5000112.8L131 P165 S166 L167 L209 I210 N321 F408L131-L163 HydrophobicContact CD2-CB 4.41Å; L131-L163 HydrophobicContact CD2-CD2 3.71Å; L163-P165 VanDerWaalsContact C-CD 3.48Å; L163-S166 WeakPolarHBondContact O-CB 3.47Å; L163-S166 PolarHBondContact O-N 3.28Å; L163-L167 HydrophobicContact CD2-CD1 3.53Å; L163-L167 HydrophobicContact CD2-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 3.9Å; L163-L167 HydrophobicContact CG-CG 4.16Å; L163-L167 PolarHBondContact O-N 3.22Å; L163-L209 HydrophobicContact CD1-CB 4.3Å; L163-L209 HydrophobicContact CD1-CD1 4.12Å; L163-L209 HydrophobicContact CD2-CD1 3.5Å; L163-L209 VanDerWaalsContact CD2-CD1 3.5Å; L163-L209 HydrophobicContact CG-CD1 4.36Å; L163-I210 HydrophobicContact CB-CD1 4.35Å; L163-N321 HydrophobicContact CD1-CB 4.47Å; L163-F408 HydrophobicContact CD2-CD1 3.98Å; L163-F408 HydrophobicContact CD2-CE1 3.78Å; L163-F408 HydrophobicContact CD2-CZ 4.25Å
164S92.3Very high89.3Confident1 Ų141.3 Ų41.31%0.00723%0.225CC..Hα-helixtrans-58.4-41.2-173.7-166.40000114.3P156 N161 S166 L167 H168P156-S164 WeakPolarHBondContact CG-OG 3.4Å; N161-S164 PolarHBondContact O-N 3.28Å; S164-S166 PolarHBondContact O-N 3.36Å; S164-L167 PolarHBondContact O-N 3.44Å; S164-H168 PolarHBondContact O-N 2.84Å
165P90.9Very high89.1Confident50 Ų5041.8 Ų41.833%0.32523%0.227SC..Hα-helixtrans-61.3-20.9175.4-16.523.5000114.2N161 S162 L163 L170 R414N161-P165 WeakPolarHBondContact O-CD 3.3Å; S162-P165 WeakPolarHBondContact O-CD 3.12Å; L163-P165 VanDerWaalsContact C-CD 3.48Å; P165-L170 HydrophobicContact CB-CD1 3.79Å; P165-L170 HydrophobicContact CG-CD1 3.5Å; P165-R414 VanDerWaalsContact O-CZ 3.23Å; P165-R414 PolarHBondContact O-NE 2.74Å; P165-R414 PolarHBondContact O-NH2 2.96Å
166S91.5Very high89Confident7 Ų746.8 Ų46.85%0.04925%0.249CC..Hα-helixtrans-87.6-23.7179.6-62.20000112.8L163 S164 N321 K322L163-S166 WeakPolarHBondContact O-CB 3.47Å; L163-S166 PolarHBondContact O-N 3.28Å; S164-S166 PolarHBondContact O-N 3.36Å; S166-N321 WeakPolarHBondContact CB-O 3.43Å; S166-N321 PolarHBondContact OG-O 3.35Å; S166-N321 VanDerWaalsContact OG-O 3.07Å; S166-K322 WeakPolarHBondContact CB-O 3.44Å; S166-K322 VanDerWaalsContact OG-CA 3.28Å; S166-K322 WeakPolarHBondContact OG-CA 3.22Å; S166-K322 PolarHBondContact OG-O 2.8Å
167L93Very high88.9Confident1 Ų147.6 Ų47.61%0.00525%0.253CS..Hα-helixtrans-103-32.5-178.2-61.4-179.8000113.3F154 L163 S164 V191 F408 I410 S411F154-L167 HydrophobicContact CB-CD1 4.27Å; L163-L167 HydrophobicContact CD2-CD1 3.53Å; L163-L167 HydrophobicContact CD2-CG 4.3Å; L163-L167 HydrophobicContact CG-CD1 3.9Å; L163-L167 HydrophobicContact CG-CG 4.16Å; L163-L167 PolarHBondContact O-N 3.22Å; S164-L167 PolarHBondContact O-N 3.44Å; L167-V191 HydrophobicContact CD2-CG1 3.98Å; L167-F408 HydrophobicContact CD1-CB 3.99Å; L167-F408 HydrophobicContact CD1-CD1 3.58Å; L167-F408 HydrophobicContact CD1-CE1 4.46Å; L167-F408 HydrophobicContact CD1-CG 4.08Å; L167-F408 HydrophobicContact CD2-CB 3.79Å; L167-I410 WeakPolarHBondContact O-CA 3.47Å; L167-I410 WeakPolarHBondContact O-CG1 3.38Å; L167-S411 PolarHBondContact O-N 2.79Å
168H91.9Very high89Confident3 Ų347.6 Ų47.61%0.01425%0.253CS..SBendtrans-127.2150.7-170.9-55.3-57000110.8F154 S164 L170 A181F154-H168 PolarHBondContact O-NE2 3.41Å; S164-H168 PolarHBondContact O-N 2.84Å; H168-L170 PolarHBondContact O-N 2.84Å; H168-A181 WeakPolarHBondContact NE2-CB 3.4Å
169F84.8Confident89.4Confident107 Ų10747.5 Ų47.547%0.46925%0.252SS..  trans-77.4110.4168.7-168.6-92.7000108.9
170L81.6Confident90Very high71 Ų7145.5 Ų45.537%0.37224%0.24SC..  trans-85.2146.9-177.2-66.8-178.4000111.9P165 H168 D177P165-L170 HydrophobicContact CB-CD1 3.79Å; P165-L170 HydrophobicContact CG-CD1 3.5Å; H168-L170 PolarHBondContact O-N 2.84Å; L170-D177 HydrophobicContact CD2-CB 4.27Å
171S82.3Confident90.7Very high33 Ų3339.2 Ų39.223%0.23121%0.21CC..  trans-129.2170.1176.671.50000110.9N173 D177S171-N173 PolarHBondContact O-N 2.82Å; S171-N173 PolarHBondContact OG-N 2.89Å; S171-N173 PolarHBondContact OG-O 3Å; S171-D177 WeakPolarHBondContact CA-OD1 3.39Å; S171-D177 WeakPolarHBondContact CB-OD1 3.25Å; S171-D177 PolarHBondContact N-OD1 3.02Å; S171-D177 PolarHBondContact OG-OD1 3.4Å
172D83.9Confident91.1Very high182 Ų18237.7 Ų37.797%0.97320%0.202SC*.SBendtrans-69.3-10.8175.2-63.3-37000112.9
173N90Very high91.4Very high52 Ų5236.8 Ų36.828%0.27819%0.194SC..  trans-105.2108.3-178.7-171.5-15.6000111.7D38 S171 V175 K176 D177D38-N173 PolarHBondContact OD1-ND2 3.08Å; S171-N173 PolarHBondContact O-N 2.82Å; S171-N173 PolarHBondContact OG-N 2.89Å; S171-N173 PolarHBondContact OG-O 3Å; N173-V175 PolarHBondContact O-N 2.7Å; N173-V175 VanDerWaalsContact O-N 3.09Å; N173-V175 WeakPolarHBondContact OD1-CB 3.44Å; N173-V175 PolarHBondContact OD1-N 3.02Å; N173-K176 HydrophobicContact CB-CB 4.11Å; N173-K176 WeakPolarHBondContact O-CA 3.41Å; N173-K176 WeakPolarHBondContact O-CB 3.28Å; N173-K176 PolarHBondContact O-N 2.73Å; N173-D177 PolarHBondContact O-N 2.93Å; N173-D177 VanDerWaalsContact O-N 3.1Å
174K90.6Very high91.5Very high65 Ų6537 Ų3728%0.28320%0.196SC..Hα-helixtrans-52.9-33.3176.8-172.8164.5-173.2167.60114S75 L82 L157 G158 I178S75-K174 PolarHBondContact OG-NZ 3.17Å; L82-K174 HydrophobicContact CD1-CD 4.35Å; L157-K174 PolarHBondContact O-NZ 3.16Å; G158-K174 PolarHBondContact O-NZ 2.91Å; G158-K174 VanDerWaalsContact O-NZ 3.08Å; K174-I178 HydrophobicContact CG-CD1 3.99Å; K174-I178 WeakPolarHBondContact O-CD1 3.26Å; K174-I178 VanDerWaalsContact O-CG1 3.25Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 3.36Å; K174-I178 VanDerWaalsContact O-N 3.14Å
175V93.4Very high91.7Very high9 Ų937 Ų376%0.05520%0.196CC..Hα-helixtrans-66.3-45177177.40000110.1D38 R42 N173 D177 I178 T179D38-V175 HydrophobicContact CB-CG1 4.43Å; D38-V175 HydrophobicContact CB-CG2 4.32Å; R42-V175 HydrophobicContact CG-CG1 4.19Å; N173-V175 PolarHBondContact O-N 2.7Å; N173-V175 VanDerWaalsContact O-N 3.09Å; N173-V175 WeakPolarHBondContact OD1-CB 3.44Å; N173-V175 PolarHBondContact OD1-N 3.02Å; V175-D177 VanDerWaalsContact C-N 3.34Å; V175-D177 PolarHBondContact O-N 2.88Å; V175-I178 PolarHBondContact O-N 3.19Å; V175-T179 HydrophobicContact CG1-CG2 4.35Å; V175-T179 WeakPolarHBondContact O-CG2 3.43Å; V175-T179 PolarHBondContact O-N 3.35Å; V175-T179 PolarHBondContact O-OG1 2.52Å
176K93.6Very high91.8Very high106 Ų10635.9 Ų35.946%0.46119%0.187SC..Hα-helixtrans-61.1-45178.5-173.8177.1177.4-175.80110.4V41 N173 I178 T179 A180V41-K176 HydrophobicContact CG1-CB 4.44Å; N173-K176 HydrophobicContact CB-CB 4.11Å; N173-K176 WeakPolarHBondContact O-CA 3.41Å; N173-K176 WeakPolarHBondContact O-CB 3.28Å; N173-K176 PolarHBondContact O-N 2.73Å; K176-I178 PolarHBondContact O-N 3.25Å; K176-T179 WeakPolarHBondContact CA-OG1 3.36Å; K176-T179 PolarHBondContact O-N 3.48Å; K176-T179 PolarHBondContact O-OG1 2.7Å; K176-A180 WeakPolarHBondContact O-CB 3.42Å; K176-A180 PolarHBondContact O-N 3.06Å
177D93.8Very high91.9Very high22 Ų2240.7 Ų40.712%0.11821%0.207CC..Hα-helixtrans-59.5-46.6178.6-57-17000112.1L170 S171 N173 V175 A180 A181L170-D177 HydrophobicContact CD2-CB 4.27Å; S171-D177 WeakPolarHBondContact CA-OD1 3.39Å; S171-D177 WeakPolarHBondContact CB-OD1 3.25Å; S171-D177 PolarHBondContact N-OD1 3.02Å; S171-D177 PolarHBondContact OG-OD1 3.4Å; N173-D177 PolarHBondContact O-N 2.93Å; N173-D177 VanDerWaalsContact O-N 3.1Å; V175-D177 VanDerWaalsContact C-N 3.34Å; V175-D177 PolarHBondContact O-N 2.88Å; D177-A180 PolarHBondContact O-N 3.08Å; D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 2.96Å
178I95.8Very high91.8Very high0 Ų042.5 Ų42.50%023%0.226CC..Hα-helixtrans-63.4-46.6178.2-66.5164.4000110.7L82 N86 A87 I155 L157 K174 V175 K176 T182L82-I178 HydrophobicContact CB-CD1 4.2Å; N86-I178 HydrophobicContact CB-CB 4.35Å; N86-I178 HydrophobicContact CB-CG2 3.77Å; A87-I178 HydrophobicContact CB-CG2 3.98Å; I155-I178 HydrophobicContact CG2-CG2 3.84Å; L157-I178 HydrophobicContact CD2-CD1 3.5Å; L157-I178 VanDerWaalsContact CD2-CD1 3.5Å; L157-I178 HydrophobicContact CD2-CG1 3.85Å; L157-I178 HydrophobicContact CD2-CG2 4.29Å; K174-I178 HydrophobicContact CG-CD1 3.99Å; K174-I178 WeakPolarHBondContact O-CD1 3.26Å; K174-I178 VanDerWaalsContact O-CG1 3.25Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 3.36Å; K174-I178 VanDerWaalsContact O-N 3.14Å; V175-I178 PolarHBondContact O-N 3.19Å; K176-I178 PolarHBondContact O-N 3.25Å; I178-T182 WeakPolarHBondContact O-CB 3.5Å; I178-T182 PolarHBondContact O-N 3.15Å; I178-T182 PolarHBondContact O-OG1 3.15Å
179T95.6Very high91.9Very high4 Ų445.6 Ų45.63%0.02524%0.241CC..Hα-helixtrans-66-41.5-179.653.40000111.8A45 N86 I90 V175 K176 T182 L183A45-T179 HydrophobicContact CB-CG2 4.28Å; N86-T179 HydrophobicContact CB-CG2 4.33Å; I90-T179 HydrophobicContact CD1-CG2 3.91Å; V175-T179 HydrophobicContact CG1-CG2 4.35Å; V175-T179 WeakPolarHBondContact O-CG2 3.43Å; V175-T179 PolarHBondContact O-N 3.35Å; V175-T179 PolarHBondContact O-OG1 2.52Å; K176-T179 WeakPolarHBondContact CA-OG1 3.36Å; K176-T179 PolarHBondContact O-N 3.48Å; K176-T179 PolarHBondContact O-OG1 2.7Å; T179-T182 PolarHBondContact O-N 3.4Å; T179-L183 VanDerWaalsContact O-CG 3.31Å; T179-L183 WeakPolarHBondContact O-CG 3.28Å; T179-L183 PolarHBondContact O-N 2.78Å
180A94.8Very high92.3Very high34 Ų3442.3 Ų42.328%0.28123%0.229SC..Hα-helixtrans-65.5-47.8178.600000110.8K176 D177 T182 L183 S184K176-A180 WeakPolarHBondContact O-CB 3.42Å; K176-A180 PolarHBondContact O-N 3.06Å; D177-A180 PolarHBondContact O-N 3.08Å; A180-T182 VanDerWaalsContact C-N 3.29Å; A180-T182 PolarHBondContact O-N 3.12Å; A180-L183 PolarHBondContact O-N 3.3Å; A180-S184 PolarHBondContact O-N 2.93Å; A180-S184 PolarHBondContact O-OG 3.23Å
181A95.6Very high92.9Very high0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-56.9-43.3175.500000112.1P156 H168 D177 S184 I185P156-A181 HydrophobicContact CG-CB 4.46Å; H168-A181 WeakPolarHBondContact NE2-CB 3.4Å; D177-A181 VanDerWaalsContact O-CB 3.22Å; D177-A181 WeakPolarHBondContact O-CB 3.43Å; D177-A181 PolarHBondContact O-N 2.96Å; A181-S184 PolarHBondContact O-N 3.45Å; A181-I185 VanDerWaalsContact O-CG1 3.31Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 3.34Å; A181-I185 VanDerWaalsContact O-N 3.11Å
182T96.3Very high93.4Very high0 Ų040 Ų400%022%0.217CC..Hα-helixtrans-65-42.7178.1-50.80000111.5A87 I90 L91 I178 T179 A180 I185 L186A87-T182 HydrophobicContact CB-CG2 4.26Å; A87-T182 WeakPolarHBondContact CB-OG1 3.47Å; I90-T182 HydrophobicContact CB-CG2 3.97Å; I90-T182 HydrophobicContact CG2-CG2 3.59Å; L91-T182 HydrophobicContact CD1-CG2 4.46Å; L91-T182 HydrophobicContact CD2-CG2 3.64Å; L91-T182 HydrophobicContact CG-CG2 3.72Å; I178-T182 WeakPolarHBondContact O-CB 3.5Å; I178-T182 PolarHBondContact O-N 3.15Å; I178-T182 PolarHBondContact O-OG1 3.15Å; T179-T182 PolarHBondContact O-N 3.4Å; A180-T182 VanDerWaalsContact C-N 3.29Å; A180-T182 PolarHBondContact O-N 3.12Å; T182-I185 WeakPolarHBondContact O-CB 3.27Å; T182-I185 PolarHBondContact O-N 3.22Å; T182-L186 PolarHBondContact O-N 3.38Å
183L95.3Very high93.9Very high22 Ų2231.4 Ų31.412%0.11517%0.171CC..Hα-helixtrans-65.9-37.4176-72.5171.6000112.4A45 L48 I90 T179 A180 I185 L186 K187A45-L183 HydrophobicContact CB-CD1 3.88Å; A45-L183 HydrophobicContact CB-CG 4.47Å; L48-L183 HydrophobicContact CB-CD2 4.21Å; L48-L183 HydrophobicContact CD1-CD1 4.12Å; I90-L183 HydrophobicContact CG2-CD2 3.96Å; I90-L183 HydrophobicContact CG2-CG 4.43Å; T179-L183 VanDerWaalsContact O-CG 3.31Å; T179-L183 WeakPolarHBondContact O-CG 3.28Å; T179-L183 PolarHBondContact O-N 2.78Å; A180-L183 PolarHBondContact O-N 3.3Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 PolarHBondContact O-N 2.92Å; L183-L186 WeakPolarHBondContact O-CB 3.33Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-L186 VanDerWaalsContact O-N 3.14Å; L183-K187 WeakPolarHBondContact O-CG 3.24Å; L183-K187 PolarHBondContact O-N 2.93Å
184S94.6Very high94.1Very high8 Ų829.2 Ų29.26%0.05616%0.16CC..Hα-helixtrans-62.6-39.1175.8-68.10000112.4A180 A181 L186 K187 G188 S411A180-S184 PolarHBondContact O-N 2.93Å; A180-S184 PolarHBondContact O-OG 3.23Å; A181-S184 PolarHBondContact O-N 3.45Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 2.94Å; S184-K187 PolarHBondContact O-N 3.25Å; S184-G188 PolarHBondContact O-N 2.9Å; S184-S411 WeakPolarHBondContact OG-CA 3.31Å; S184-S411 WeakPolarHBondContact OG-CB 3.28Å
185I95.6Very high94.3Very high0 Ų026.1 Ų26.10%015%0.147CC..Hα-helixtrans-60.3-42.4172.5-66.6163.5000110.8M121 I123 I155 A181 T182 L183 G188 F409M121-I185 HydrophobicContact CE-CG2 3.76Å; M121-I185 HydrophobicContact SD-CG2 3.31Å; M121-I185 WeakPolarHBondContact SD-CG2 3.3Å; I123-I185 HydrophobicContact CD1-CG2 4.06Å; I123-I185 HydrophobicContact CG1-CG2 4.28Å; I123-I185 HydrophobicContact CG2-CD1 4.27Å; I155-I185 HydrophobicContact CD1-CD1 4.43Å; I155-I185 HydrophobicContact CG1-CD1 3.86Å; A181-I185 VanDerWaalsContact O-CG1 3.31Å; A181-I185 WeakPolarHBondContact O-CG1 3.45Å; A181-I185 PolarHBondContact O-N 3.34Å; A181-I185 VanDerWaalsContact O-N 3.11Å; T182-I185 WeakPolarHBondContact O-CB 3.27Å; T182-I185 PolarHBondContact O-N 3.22Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 PolarHBondContact O-N 2.92Å; I185-G188 PolarHBondContact O-N 2.77Å; I185-F409 HydrophobicContact CB-CB 4.5Å; I185-F409 HydrophobicContact CB-CD2 4.34Å; I185-F409 HydrophobicContact CB-CG 4.35Å; I185-F409 HydrophobicContact CG1-CB 3.96Å; I185-F409 HydrophobicContact CG1-CD2 4.08Å; I185-F409 HydrophobicContact CG1-CG 4.18Å; I185-F409 HydrophobicContact CG2-CD2 3.95Å; I185-F409 HydrophobicContact CG2-CE2 4.1Å; I185-F409 HydrophobicContact CG2-CG 4.36Å
186L94.1Very high94.4Very high27 Ų2725.7 Ų25.714%0.14114%0.144CC..Hα-helixtrans-68.5-36.1178-65.7-179.9000113.4A49 I90 L91 A94 V96 T182 L183 S184 G188A49-L186 HydrophobicContact CB-CD1 4.4Å; I90-L186 HydrophobicContact CG2-CD1 3.57Å; L91-L186 HydrophobicContact CD2-CD2 4.18Å; A94-L186 HydrophobicContact CB-CD1 3.49Å; A94-L186 VanDerWaalsContact CB-CD1 3.49Å; A94-L186 HydrophobicContact CB-CD2 3.49Å; A94-L186 VanDerWaalsContact CB-CD2 3.49Å; A94-L186 HydrophobicContact CB-CG 4.1Å; V96-L186 HydrophobicContact CG2-CD2 4.4Å; T182-L186 PolarHBondContact O-N 3.38Å; L183-L186 WeakPolarHBondContact O-CB 3.33Å; L183-L186 PolarHBondContact O-N 2.93Å; L183-L186 VanDerWaalsContact O-N 3.14Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 2.94Å; L186-G188 PolarHBondContact O-N 3.48Å
187K93.3Very high94.5Very high108 Ų10822.9 Ų22.947%0.4713%0.132SC..Hα-helixtrans-60.8-31173.8-73.2177.6179.4-175.60111.9F52 L183 S184F52-K187 HydrophobicContact CZ-CG 3.99Å; L183-K187 WeakPolarHBondContact O-CG 3.24Å; L183-K187 PolarHBondContact O-N 2.93Å; S184-K187 PolarHBondContact O-N 3.25Å
188G91.9Very high94.6Very high39 Ų3922.2 Ų22.240%0.40213%0.129SC..THydrogen-bonded Turntrans85.511.216800000115.5S184 I185 L186S184-G188 PolarHBondContact O-N 2.9Å; I185-G188 PolarHBondContact O-N 2.77Å; L186-G188 PolarHBondContact O-N 3.48Å
189E93.5Very high94.6Very high69 Ų6927.8 Ų27.832%0.32215%0.153SC..  trans-72.5134.4174.8-71.5-171.4-157.100111.2F409 I410 A412E189-F409 WeakPolarHBondContact O-CA 3.35Å; E189-F409 WeakPolarHBondContact O-CD1 3.34Å; E189-I410 HydrophobicContact CB-CG2 4.29Å; E189-I410 PolarHBondContact O-N 3.48Å; E189-A412 WeakPolarHBondContact OE1-CB 3.26Å; E189-A412 WeakPolarHBondContact OE2-CA 3.48Å; E189-A412 WeakPolarHBondContact OE2-CB 3.3Å
190T93.9Very high94.3Very high37 Ų3728 Ų2823%0.22716%0.155CC..EExtended strand (participates in β ladder)trans-127.3149.8-175580000112.5P151 R407 F408 F409P151-T190 HydrophobicContact CB-CG2 3.83Å; T190-R407 PolarHBondContact OG1-NH2 3.39Å; T190-F408 CarbonylContact C-O 3.52Å; T190-F408 WeakPolarHBondContact CA-O 3.27Å; T190-F409 HydrophobicContact CG2-CD1 3.68Å; T190-F409 HydrophobicContact CG2-CE1 3.64Å; T190-F409 HydrophobicContact CG2-CG 4.42Å; T190-F409 HydrophobicContact CG2-CZ 4.37Å
191V93.2Very high93.7Very high5 Ų533.8 Ų33.83%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-129.1136.917469.90000109.2L167 V193 P324 R407 F408 I410L167-V191 HydrophobicContact CD2-CG1 3.98Å; V191-V193 HydrophobicContact CG1-CG2 4.09Å; V191-P324 HydrophobicContact CG1-CB 4.28Å; V191-P324 HydrophobicContact CG1-CG 4.13Å; V191-P324 HydrophobicContact CG2-CB 3.87Å; V191-P324 HydrophobicContact CG2-CG 4.15Å; V191-R407 WeakPolarHBondContact O-CA 3.32Å; V191-F408 HydrophobicContact CG1-CB 4.47Å; V191-F408 PolarHBondContact N-O 2.85Å; V191-F408 PolarHBondContact O-N 2.97Å; V191-I410 HydrophobicContact CB-CB 4.37Å; V191-I410 HydrophobicContact CB-CD1 4.39Å; V191-I410 HydrophobicContact CB-CG2 4.08Å; V191-I410 HydrophobicContact CG1-CB 4.03Å; V191-I410 HydrophobicContact CG1-CD1 4.2Å; V191-I410 HydrophobicContact CG1-CG2 4.29Å
192P92.6Very high92.9Very high50 Ų5043.2 Ų43.233%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-71.8143.1170.832.3-35.1000110.1R404 L406P192-R404 HydrophobicContact CB-CB 3.84Å; P192-R404 HydrophobicContact CB-CG 3.85Å; P192-R404 HydrophobicContact CG-CG 4.17Å; P192-L406 CarbonylContact C-O 3.56Å; P192-L406 WeakPolarHBondContact CA-O 3.4Å
193V93.8Very high92.1Very high2 Ų247.9 Ų47.91%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-129.4138.2-176.2179.60000108.9V191 L209 N321 P324 R404 K405 L406 F408V191-V193 HydrophobicContact CG1-CG2 4.09Å; V193-L209 HydrophobicContact CG1-CD2 3.99Å; V193-N321 HydrophobicContact CG1-CB 4.36Å; V193-N321 VanDerWaalsContact CG1-ND2 3.27Å; V193-N321 WeakPolarHBondContact CG1-ND2 3.47Å; V193-P324 HydrophobicContact CG2-CB 4.48Å; V193-R404 CarbonylContact O-C 3.56Å; V193-K405 PolarHBondContact O-N 3.23Å; V193-K405 VanDerWaalsContact O-N 3.16Å; V193-L406 PolarHBondContact N-O 2.89Å; V193-L406 PolarHBondContact O-N 3.29Å; V193-F408 HydrophobicContact CB-CD2 3.89Å; V193-F408 HydrophobicContact CB-CE2 4.45Å; V193-F408 HydrophobicContact CG1-CD2 4.37Å; V193-F408 HydrophobicContact CG2-CB 3.91Å; V193-F408 HydrophobicContact CG2-CD2 3.65Å; V193-F408 HydrophobicContact CG2-CG 4.08Å
194D94.3Very high91.8Very high7 Ų752.6 Ų52.64%0.03726%0.261CS..EExtended strand (participates in β ladder)trans-80.2150.3178.3-56-33.7000110.1N321 R328 L401 P403 R404D194-N321 PolarHBondContact N-OD1 3.32Å; D194-N321 PolarHBondContact O-ND2 3.09Å; D194-R328 IonicContact OD2-NH1 3.1Å; D194-L401 HydrophobicContact CB-CD1 3.96Å; D194-P403 VanDerWaalsContact OD1-CA 3.28Å; D194-P403 WeakPolarHBondContact OD1-CA 3.45Å; D194-R404 PolarHBondContact OD1-N 3.3Å
195V95.6Very high91.7Very high0 Ų053.8 Ų53.80%027%0.268CS..EExtended strand (participates in β ladder)trans-127.1138.6178.9-174.80000109.2I135 L139 F207 A208 L209 L402 K405 L406I135-V195 HydrophobicContact CG2-CG1 4.42Å; L139-V195 HydrophobicContact CD1-CB 4.41Å; L139-V195 HydrophobicContact CD1-CG1 3.79Å; L139-V195 HydrophobicContact CD1-CG2 4.32Å; V195-F207 HydrophobicContact CG1-CB 3.9Å; V195-F207 HydrophobicContact CG1-CD1 4.02Å; V195-F207 HydrophobicContact CG1-CG 4.43Å; V195-A208 WeakPolarHBondContact CG1-O 3.25Å; V195-L209 HydrophobicContact CG2-CD2 3.92Å; V195-L402 HydrophobicContact CB-CB 4.35Å; V195-L402 PolarHBondContact N-O 3.42Å; V195-L402 WeakPolarHBondContact O-CA 3.44Å; V195-L402 WeakPolarHBondContact O-CB 3.48Å; V195-L402 PolarHBondContact O-N 2.99Å; V195-K405 HydrophobicContact CB-CB 4.43Å; V195-K405 HydrophobicContact CG2-CB 4.01Å; V195-K405 HydrophobicContact CG2-CG 4.48Å; V195-L406 HydrophobicContact CG2-CB 4.39Å; V195-L406 HydrophobicContact CG2-CD1 3.6Å; V195-L406 HydrophobicContact CG2-CG 3.75Å
196L95.9Very high91.6Very high0 Ų054.2 Ų54.20%027%0.271CS..EExtended strand (participates in β ladder)trans-90.2125.3169.3-62.5169.9000109.1F207 A208 T319 L333 V399 L401L196-F207 CarbonylContact O-C 3.57Å; L196-F207 VanDerWaalsContact O-CA 3.28Å; L196-F207 WeakPolarHBondContact O-CA 3.43Å; L196-A208 HydrophobicContact CB-CB 4.35Å; L196-A208 PolarHBondContact N-O 2.99Å; L196-A208 PolarHBondContact O-N 2.83Å; L196-T319 HydrophobicContact CD1-CG2 3.72Å; L196-T319 HydrophobicContact CD2-CG2 3.9Å; L196-T319 HydrophobicContact CG-CG2 3.43Å; L196-T319 VanDerWaalsContact CG-CG2 3.43Å; L196-L333 HydrophobicContact CD2-CB 3.94Å; L196-L333 HydrophobicContact CD2-CD2 3.9Å; L196-V399 HydrophobicContact CB-CG1 4.36Å; L196-V399 HydrophobicContact CD2-CG1 4.18Å; L196-L401 HydrophobicContact CD2-CD1 3.77Å
197Q95.9Very high91.7Very high47 Ų4753.1 Ų53.122%0.2227%0.265CS..EExtended strand (participates in β ladder)trans-94117.5166.7-177.8176.132.800108.5P205 F207 V399 R400 L402Q197-P205 HydrophobicContact CG-CB 4.02Å; Q197-F207 HydrophobicContact CB-CD1 3.96Å; Q197-F207 HydrophobicContact CB-CE1 3.74Å; Q197-F207 HydrophobicContact CG-CD1 4.14Å; Q197-F207 HydrophobicContact CG-CE1 3.59Å; Q197-F207 HydrophobicContact CG-CZ 4.12Å; Q197-V399 CarbonylContact O-C 3.56Å; Q197-V399 WeakPolarHBondContact O-CA 3.32Å; Q197-R400 HydrophobicContact CB-CB 4.48Å; Q197-R400 PolarHBondContact N-O 3.31Å; Q197-R400 PolarHBondContact O-N 2.87Å; Q197-L402 HydrophobicContact CB-CD1 4.09Å; Q197-L402 HydrophobicContact CB-CG 4.24Å
198I95.4Very high91.7Very high7 Ų748 Ų484%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-111114.7179.6-57.6161.1000107P205 V206 A208 L212 I387 V397 V399I198-P205 CarbonylContact O-C 3.59Å; I198-P205 WeakPolarHBondContact O-CA 3.34Å; I198-V206 PolarHBondContact N-O 3.35Å; I198-V206 PolarHBondContact O-N 3.32Å; I198-A208 HydrophobicContact CD1-CB 4.01Å; I198-L212 HydrophobicContact CD1-CB 4.09Å; I198-L212 HydrophobicContact CD1-CD1 4.07Å; I198-L212 HydrophobicContact CG2-CD1 4.03Å; I198-I387 HydrophobicContact CD1-CD1 3.78Å; I198-I387 HydrophobicContact CD1-CG1 4.05Å; I198-I387 HydrophobicContact CD1-CG2 3.75Å; I198-I387 HydrophobicContact CG2-CD1 4.35Å; I198-V397 HydrophobicContact CG2-CB 4.05Å; I198-V397 HydrophobicContact CG2-CG1 4.09Å; I198-V397 HydrophobicContact CG2-CG2 4.34Å; I198-V399 HydrophobicContact CG1-CG1 4.09Å; I198-V399 HydrophobicContact CG1-CG2 4.22Å; I198-V399 HydrophobicContact CG2-CG2 4.37Å
199K94.6Very high91.8Very high118 Ų11846.2 Ų46.251%0.51322%0.224SC..EExtended strand (participates in β ladder)trans-118.3115-176.9-173.7-178.7176.5-170.90109.9P205 V397 E398K199-P205 HydrophobicContact CB-CB 4.42Å; K199-V397 WeakPolarHBondContact O-CA 3.5Å; K199-E398 PolarHBondContact N-O 2.97Å; K199-E398 PolarHBondContact O-N 2.84Å
200G90.1Very high91.8Very high7 Ų744 Ų447%0.07222%0.215CC..EExtended strand (participates in β ladder)trans-79.8165.7165.600000111.6K202G200-K202 PolarHBondContact O-N 2.92Å
201E82.6Confident91.8Very high156 Ų15642.4 Ų42.473%0.72921%0.205SC*.SBendtrans-63.4-39.6-177-66.8-174.2164.200113.6
202K77.6Confident91.8Very high198 Ų19842.1 Ų42.186%0.86120%0.203SC*.SBendtrans-109-15.6-172.3-64.2179.4-176.8172.80113.9G200G200-K202 PolarHBondContact O-N 2.92Å
203E80.9Confident91.9Very high99 Ų9940.8 Ų40.846%0.46319%0.192SC..SBendtrans-100.9158.3-173.4-64.7-167.8173.600112.6M395E203-M395 HydrophobicContact CG-CE 4.45Å
204Q87.8Confident91.9Very high121 Ų12141 Ų4157%0.56519%0.193SC*.PPolyproline II helixtrans-67.7146.3170.2-71.8-172-1.100110.9R140 V206R140-Q204 VanDerWaalsContact CZ-CB 3.48Å; R140-Q204 PolarHBondContact NH2-O 2.75Å; Q204-V206 PolarHBondContact O-N 2.96Å
205P92.9Very high91.7Very high32 Ų3240.8 Ų40.821%0.20819%0.191CC..PPolyproline II helixtrans-62.3131.1-175.226.3-35.3000112R140 Q197 I198 K199 F207R140-P205 PolarHBondContact NE-O 2.77Å; R140-P205 VanDerWaalsContact NH2-C 3.3Å; R140-P205 PolarHBondContact NH2-O 3.18Å; Q197-P205 HydrophobicContact CG-CB 4.02Å; I198-P205 CarbonylContact O-C 3.59Å; I198-P205 WeakPolarHBondContact O-CA 3.34Å; K199-P205 HydrophobicContact CB-CB 4.42Å; P205-F207 HydrophobicContact CB-CE2 4.37Å; P205-F207 HydrophobicContact CB-CZ 4.41Å; P205-F207 HydrophobicContact CG-CE2 4.29Å; P205-F207 HydrophobicContact CG-CZ 4.4Å
206V93.9Very high91.4Very high10 Ų1040.8 Ų40.86%0.06119%0.191CC..EExtended strand (participates in β ladder)trans-94.8142.8172.9179.70000108.3Q132 I198 Q204 I387 Y392Q132-V206 VanDerWaalsContact NE2-CG1 3.31Å; I198-V206 PolarHBondContact N-O 3.35Å; I198-V206 PolarHBondContact O-N 3.32Å; Q204-V206 PolarHBondContact O-N 2.96Å; V206-I387 HydrophobicContact CG1-CD1 4.39Å; V206-Y392 HydrophobicContact CG1-CE1 4.26Å; V206-Y392 HydrophobicContact CG2-CD1 4.49Å; V206-Y392 HydrophobicContact CG2-CE1 3.93Å
207F94.9Very high91.2Very high4 Ų441 Ų412%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-114.5134.8-179.9-64.2-87.1000110.1Q132 I135 T136 L139 R140 V195 L196 Q197 P205 L402Q132-F207 WeakPolarHBondContact CG-O 3.43Å; I135-F207 HydrophobicContact CG2-CB 4Å; T136-F207 HydrophobicContact CG2-CD2 4.36Å; T136-F207 PolarHBondContact OG1-N 3.36Å; T136-F207 PolarHBondContact OG1-O 2.67Å; L139-F207 HydrophobicContact CB-CD1 4.11Å; L139-F207 HydrophobicContact CB-CD2 3.71Å; L139-F207 HydrophobicContact CB-CE1 4.01Å; L139-F207 HydrophobicContact CB-CE2 3.59Å; L139-F207 HydrophobicContact CB-CG 3.95Å; L139-F207 HydrophobicContact CB-CZ 3.73Å; L139-F207 HydrophobicContact CD1-CB 4.02Å; L139-F207 HydrophobicContact CD1-CD1 3.59Å; L139-F207 HydrophobicContact CD1-CD2 4.37Å; L139-F207 HydrophobicContact CD1-CE1 4.07Å; L139-F207 HydrophobicContact CD1-CG 3.74Å; L139-F207 HydrophobicContact CG-CG 4.49Å; R140-F207 HydrophobicContact CG-CE2 4.03Å; V195-F207 HydrophobicContact CG1-CB 3.9Å; V195-F207 HydrophobicContact CG1-CD1 4.02Å; V195-F207 HydrophobicContact CG1-CG 4.43Å; L196-F207 CarbonylContact O-C 3.57Å; L196-F207 VanDerWaalsContact O-CA 3.28Å; L196-F207 WeakPolarHBondContact O-CA 3.43Å; Q197-F207 HydrophobicContact CB-CD1 3.96Å; Q197-F207 HydrophobicContact CB-CE1 3.74Å; Q197-F207 HydrophobicContact CG-CD1 4.14Å; Q197-F207 HydrophobicContact CG-CE1 3.59Å; Q197-F207 HydrophobicContact CG-CZ 4.12Å; P205-F207 HydrophobicContact CB-CE2 4.37Å; P205-F207 HydrophobicContact CB-CZ 4.41Å; P205-F207 HydrophobicContact CG-CE2 4.29Å; P205-F207 HydrophobicContact CG-CZ 4.4Å; F207-L402 HydrophobicContact CD1-CD1 4.16Å; F207-L402 HydrophobicContact CE1-CD1 3.72Å
208A95Very high91Very high1 Ų139 Ų391%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-128.6147.7-178.300000110.5V195 L196 I198 I387 D388V195-A208 WeakPolarHBondContact CG1-O 3.25Å; L196-A208 HydrophobicContact CB-CB 4.35Å; L196-A208 PolarHBondContact N-O 2.99Å; L196-A208 PolarHBondContact O-N 2.83Å; I198-A208 HydrophobicContact CD1-CB 4.01Å; A208-I387 HydrophobicContact CB-CG2 3.44Å; A208-I387 VanDerWaalsContact CB-CG2 3.44Å; A208-D388 WeakPolarHBondContact CA-OD2 3.18Å
209L94.3Very high90.8Very high1 Ų140.3 Ų40.31%0.00519%0.19CC..SBendtrans-93.9-33.9174.9-70.6-176.7000112.6L131 I135 L163 V193 V195 T319 N321 D388 L406 F408L131-L209 HydrophobicContact CD2-CD1 3.72Å; L131-L209 HydrophobicContact CG-CD1 4.09Å; I135-L209 HydrophobicContact CD1-CD1 3.29Å; I135-L209 HydrophobicContact CD1-CD2 3.82Å; I135-L209 HydrophobicContact CD1-CG 3.41Å; I135-L209 VanDerWaalsContact CD1-CG 3.41Å; L163-L209 HydrophobicContact CD1-CB 4.3Å; L163-L209 HydrophobicContact CD1-CD1 4.12Å; L163-L209 HydrophobicContact CD2-CD1 3.5Å; L163-L209 VanDerWaalsContact CD2-CD1 3.5Å; L163-L209 HydrophobicContact CG-CD1 4.36Å; V193-L209 HydrophobicContact CG1-CD2 3.99Å; V195-L209 HydrophobicContact CG2-CD2 3.92Å; L209-T319 VanDerWaalsContact O-CG2 3.24Å; L209-T319 WeakPolarHBondContact O-CG2 3.47Å; L209-T319 PolarHBondContact O-OG1 3.24Å; L209-N321 PolarHBondContact O-ND2 3.42Å; L209-D388 PolarHBondContact N-OD2 3.17Å; L209-L406 HydrophobicContact CD2-CD1 4.25Å; L209-F408 HydrophobicContact CD1-CE1 4.36Å; L209-F408 HydrophobicContact CD1-CE2 4.11Å; L209-F408 HydrophobicContact CD1-CZ 3.69Å; L209-F408 HydrophobicContact CD2-CE2 4.32Å
210I92.9Very high90.6Very high23 Ų2334.7 Ų34.712%0.11817%0.165CC..SBendtrans-105.9-59.2-169-50.3177000109.4S162 L163 Y316 Q318 T319 D388S162-I210 VanDerWaalsContact C-CD1 3.45Å; L163-I210 HydrophobicContact CB-CD1 4.35Å; I210-Y316 WeakPolarHBondContact CG2-OH 3.43Å; I210-Q318 CarbonylContact O-C 3.58Å; I210-Q318 WeakPolarHBondContact O-CA 3.39Å; I210-Q318 WeakPolarHBondContact O-CB 3.45Å; I210-T319 PolarHBondContact O-N 3.31Å; I210-T319 PolarHBondContact O-OG1 3.37Å; I210-D388 WeakPolarHBondContact CA-OD1 3.43Å; I210-D388 WeakPolarHBondContact CB-OD1 3.41Å; I210-D388 PolarHBondContact N-OD1 3.27Å; I210-D388 PolarHBondContact N-OD2 2.84Å
211G93.3Very high90.7Very high2 Ų236.2 Ų36.22%0.02118%0.177CC..EExtended strand (participates in β ladder)trans171.6173-17800000116.6I317 D388G211-I317 CarbonylContact C-O 3.57Å; G211-I317 WeakPolarHBondContact CA-O 3.21Å; G211-D388 PolarHBondContact N-OD1 2.93Å; G211-D388 PolarHBondContact O-N 3.44Å; G211-D388 VanDerWaalsContact O-N 3.14Å
212L94.3Very high91Very high0 Ų030.3 Ų30.30%016%0.155CC..EExtended strand (participates in β ladder)trans-110.5123.2173.7176.7156.3000109.5I198 Y316 I317 L375 Y385 N386 I387 V397I198-L212 HydrophobicContact CD1-CB 4.09Å; I198-L212 HydrophobicContact CD1-CD1 4.07Å; I198-L212 HydrophobicContact CG2-CD1 4.03Å; L212-Y316 WeakPolarHBondContact O-CA 3.31Å; L212-Y316 WeakPolarHBondContact O-CD2 3.33Å; L212-I317 PolarHBondContact N-O 3.24Å; L212-I317 PolarHBondContact O-N 3.2Å; L212-L375 HydrophobicContact CD2-CD1 4.08Å; L212-Y385 HydrophobicContact CD1-CD1 4.44Å; L212-Y385 HydrophobicContact CD1-CD2 4.19Å; L212-Y385 HydrophobicContact CD1-CG 4.09Å; L212-Y385 HydrophobicContact CD2-CD1 3.8Å; L212-Y385 HydrophobicContact CD2-CE1 4.13Å; L212-Y385 HydrophobicContact CD2-CG 4.23Å; L212-Y385 HydrophobicContact CG-CD1 4.3Å; L212-Y385 HydrophobicContact CG-CG 4.24Å; L212-N386 CarbonylContact C-O 3.58Å; L212-N386 WeakPolarHBondContact CA-O 3.49Å; L212-I387 HydrophobicContact CB-CG1 4.37Å; L212-I387 HydrophobicContact CD1-CD1 4.32Å; L212-I387 HydrophobicContact CD1-CG1 4.16Å; L212-I387 HydrophobicContact CG-CG1 4.21Å; L212-V397 HydrophobicContact CD1-CG2 4.33Å
213R93.6Very high91.6Very high21 Ų2123.6 Ų23.68%0.07913%0.126CC..EExtended strand (participates in β ladder)trans-110.5139.2177.2-66.217669.2-171.45.4111.6R218 E314 L315 Y316 N386R213-R218 HydrophobicContact CB-CG 4.33Å; R213-E314 IonicContact CZ-OE1 3.95Å; R213-E314 VanDerWaalsContact CZ-OE1 3.28Å; R213-E314 IonicContact NE-OE1 3.43Å; R213-E314 PolarHBondContact NE-OE1 2.92Å; R213-E314 IonicContact NH2-OE1 2.89Å; R213-E314 PolarHBondContact NH2-OE1 3.33Å; R213-L315 WeakPolarHBondContact CA-O 3.24Å; R213-Y316 HydrophobicContact CB-CD2 4.18Å; R213-Y316 HydrophobicContact CG-CD2 3.05Å; R213-Y316 HydrophobicContact CG-CE2 3.25Å; R213-Y316 HydrophobicContact CG-CG 3.84Å; R213-N386 HydrophobicContact CB-CB 4.27Å; R213-N386 PolarHBondContact N-O 3.33Å; R213-N386 PolarHBondContact O-N 2.9Å
214W93.2Very high92.1Very high8 Ų819.5 Ų19.53%0.0311%0.107CC..EExtended strand (participates in β ladder)trans-142.5141.5175.3-171.464000111.2H251 V253 E314 L315 L377 Y385W214-H251 HydrophobicContact CE3-CB 4.48Å; W214-H251 HydrophobicContact CH2-CB 3.39Å; W214-H251 AromaticContact CH2-CD2 3.93Å; W214-H251 AromaticContact CH2-CG 3.84Å; W214-H251 HydrophobicContact CZ2-CB 4.33Å; W214-H251 HydrophobicContact CZ3-CB 3.41Å; W214-H251 VanDerWaalsContact CZ3-CB 3.41Å; W214-V253 HydrophobicContact CE3-CG2 3.76Å; W214-V253 HydrophobicContact CH2-CG2 3.72Å; W214-V253 HydrophobicContact CZ3-CB 4.49Å; W214-V253 HydrophobicContact CZ3-CG2 3.01Å; W214-E314 CarbonylContact O-C 3.57Å; W214-E314 VanDerWaalsContact O-CA 3.27Å; W214-E314 WeakPolarHBondContact O-CA 3.43Å; W214-E314 WeakPolarHBondContact O-CG 3.47Å; W214-L315 HydrophobicContact CE3-CB 4.43Å; W214-L315 PolarHBondContact N-O 3.23Å; W214-L315 PolarHBondContact O-N 3.37Å; W214-L377 HydrophobicContact CD2-CD2 4.35Å; W214-L377 HydrophobicContact CE3-CD2 4.43Å; W214-L377 HydrophobicContact CH2-CD2 3.6Å; W214-L377 HydrophobicContact CZ2-CD1 4.46Å; W214-L377 HydrophobicContact CZ2-CD2 3.53Å; W214-L377 HydrophobicContact CZ3-CD2 4.14Å; W214-Y385 HydrophobicContact CB-CD1 3.65Å; W214-Y385 HydrophobicContact CB-CE1 3.71Å; W214-Y385 AromaticContact CD1-CD1 3.36Å; W214-Y385 AromaticContact CD1-CE1 3.36Å; W214-Y385 HydrophobicContact CD2-CE1 4.17Å; W214-Y385 AromaticContact CG-CD1 3.66Å; W214-Y385 HydrophobicContact CG-CD1 3.66Å; W214-Y385 AromaticContact CG-CE1 3.47Å; W214-Y385 HydrophobicContact CG-CE1 3.47Å; W214-Y385 VanDerWaalsContact CG-CE1 3.47Å; W214-Y385 AromaticContact NE1-CE1 3.96Å
215G90.7Very high92.2Very high1 Ų117.6 Ų17.61%0.0111%0.107CC..EExtended strand (participates in β ladder)trans118.6-170.9175.200000114.6F217 R218 D219 A313G215-F217 PolarHBondContact O-N 2.99Å; G215-R218 WeakPolarHBondContact O-CB 3.37Å; G215-R218 PolarHBondContact O-N 2.98Å; G215-R218 VanDerWaalsContact O-N 3.09Å; G215-D219 PolarHBondContact O-N 3.42Å; G215-D219 VanDerWaalsContact O-N 3.14Å; G215-A313 CarbonylContact C-O 3.54Å; G215-A313 WeakPolarHBondContact CA-O 3.32Å
216A90.2Very high92.1Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-66.1-37.7-161.800000113.9R218 D219 V220 L249 A313 F347A216-R218 VanDerWaalsContact C-N 3.26Å; A216-R218 PolarHBondContact O-N 3.39Å; A216-D219 PolarHBondContact O-N 3.25Å; A216-V220 WeakPolarHBondContact O-CG2 3.34Å; A216-V220 PolarHBondContact O-N 2.99Å; A216-L249 HydrophobicContact CB-CB 3.73Å; A216-L249 HydrophobicContact CB-CD1 4.09Å; A216-L249 HydrophobicContact CB-CD2 4.46Å; A216-L249 HydrophobicContact CB-CG 4.32Å; A216-A313 PolarHBondContact N-O 3.12Å; A216-F347 HydrophobicContact CB-CE2 4.11Å; A216-F347 HydrophobicContact CB-CZ 4.21Å
217F91.6Very high92.1Very high4 Ų424.9 Ų24.92%0.01813%0.134CC..Hα-helixtrans-63-35177-69.5-65.5000112.1G215 A221 E314 E338 F347 V350 K354G215-F217 PolarHBondContact O-N 2.99Å; F217-A221 WeakPolarHBondContact O-CB 3.21Å; F217-A221 PolarHBondContact O-N 3.1Å; F217-E314 HydrophobicContact CD2-CB 3.71Å; F217-E314 HydrophobicContact CD2-CG 4.44Å; F217-E314 WeakPolarHBondContact CD2-OE2 3.46Å; F217-E338 HydrophobicContact CE2-CG 4.16Å; F217-F347 HydrophobicContact CD1-CD2 4.27Å; F217-F347 AromaticContact CD1-CE2 3.72Å; F217-F347 HydrophobicContact CD1-CE2 3.72Å; F217-F347 HydrophobicContact CD1-CZ 4.07Å; F217-F347 HydrophobicContact CD2-CE2 4.38Å; F217-F347 AromaticContact CE1-CD2 3.42Å; F217-F347 HydrophobicContact CE1-CD2 3.42Å; F217-F347 VanDerWaalsContact CE1-CD2 3.42Å; F217-F347 AromaticContact CE1-CE2 3.33Å; F217-F347 HydrophobicContact CE1-CE2 3.33Å; F217-F347 HydrophobicContact CE1-CG 4.1Å; F217-F347 AromaticContact CE1-CZ 3.96Å; F217-F347 HydrophobicContact CE1-CZ 3.96Å; F217-F347 WeakPolarHBondContact CE1-O 3.08Å; F217-F347 HydrophobicContact CE2-CD2 4.15Å; F217-F347 HydrophobicContact CE2-CE2 4.04Å; F217-F347 HydrophobicContact CG-CE2 4.23Å; F217-F347 AromaticContact CZ-CD2 3.34Å; F217-F347 HydrophobicContact CZ-CD2 3.34Å; F217-F347 AromaticContact CZ-CE2 3.51Å; F217-F347 HydrophobicContact CZ-CE2 3.51Å; F217-F347 HydrophobicContact CZ-CG 4.27Å; F217-V350 HydrophobicContact CE1-CB 4.5Å; F217-V350 HydrophobicContact CE1-CG1 4.32Å; F217-V350 HydrophobicContact CE2-CG1 4.47Å; F217-V350 HydrophobicContact CZ-CB 4.27Å; F217-V350 HydrophobicContact CZ-CG1 3.91Å; F217-K354 HydrophobicContact CB-CD 4.3Å; F217-K354 HydrophobicContact CD1-CD 4.17Å; F217-K354 HydrophobicContact CD2-CD 3.82Å; F217-K354 HydrophobicContact CE1-CD 4.48Å; F217-K354 HydrophobicContact CE2-CD 4.18Å; F217-K354 HydrophobicContact CG-CD 3.84Å; F217-K354 HydrophobicContact CZ-CD 4.48Å
218R91.3Very high91.9Very high7 Ų734.1 Ų34.13%0.02617%0.168CC..Hα-helixtrans-67.5-47.5174.2-174.4-82-64.4145.321.7110.8R213 G215 A216 V220 A221 A222 F384 N386R213-R218 HydrophobicContact CB-CG 4.33Å; G215-R218 WeakPolarHBondContact O-CB 3.37Å; G215-R218 PolarHBondContact O-N 2.98Å; G215-R218 VanDerWaalsContact O-N 3.09Å; A216-R218 VanDerWaalsContact C-N 3.26Å; A216-R218 PolarHBondContact O-N 3.39Å; R218-V220 VanDerWaalsContact C-N 3.28Å; R218-V220 PolarHBondContact O-N 3.07Å; R218-A221 WeakPolarHBondContact O-CB 3.22Å; R218-A221 PolarHBondContact O-N 3.08Å; R218-A221 VanDerWaalsContact O-N 3.12Å; R218-A222 PolarHBondContact O-N 2.86Å; R218-F384 PolarHBondContact NE-O 3.5Å; R218-F384 PolarHBondContact NH2-O 2.83Å; R218-N386 HydrophobicContact CG-CB 3.39Å
219D90.7Very high91.8Very high33 Ų3340.4 Ų40.418%0.17619%0.193CC..Hα-helixtrans-58.4-39.3176.9-76.2-58.3000112.7G215 A216 K223G215-D219 PolarHBondContact O-N 3.42Å; G215-D219 VanDerWaalsContact O-N 3.14Å; A216-D219 PolarHBondContact O-N 3.25Å; D219-K223 WeakPolarHBondContact O-CG 3.37Å
220V91.4Very high91.7Very high1 Ų143 Ų431%0.00621%0.206CC..Hα-helixtrans-67.5-47.6173.5179.20000110.6A216 R218 A222 K223 I224 A238 H239 H242 F347A216-V220 WeakPolarHBondContact O-CG2 3.34Å; A216-V220 PolarHBondContact O-N 2.99Å; R218-V220 VanDerWaalsContact C-N 3.28Å; R218-V220 PolarHBondContact O-N 3.07Å; V220-A222 VanDerWaalsContact C-N 3.26Å; V220-A222 PolarHBondContact O-N 3.22Å; V220-K223 CarbonylContact O-C 3.55Å; V220-K223 WeakPolarHBondContact O-CA 3.31Å; V220-K223 PolarHBondContact O-N 3.18Å; V220-I224 HydrophobicContact CG1-CG1 4.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.33Å; V220-I224 PolarHBondContact O-N 3.06Å; V220-A238 HydrophobicContact CG1-CB 3.68Å; V220-H239 HydrophobicContact CG1-CB 4.45Å; V220-H239 VanDerWaalsContact CG1-CE1 3.45Å; V220-H239 WeakPolarHBondContact CG1-CE1 2.94Å; V220-H239 WeakPolarHBondContact CG1-ND1 3.41Å; V220-H242 HydrophobicContact CG2-CB 3.66Å; V220-H242 WeakPolarHBondContact CG2-CD2 3.46Å; V220-F347 HydrophobicContact CG2-CE1 4.41Å; V220-F347 HydrophobicContact CG2-CZ 4.21Å
221A90.8Very high91.6Very high39 Ų3943.5 Ų43.532%0.32222%0.218SC..Hα-helixtrans-54.6-41.9-177.800000112.4F217 R218 K223 I224F217-A221 WeakPolarHBondContact O-CB 3.21Å; F217-A221 PolarHBondContact O-N 3.1Å; R218-A221 WeakPolarHBondContact O-CB 3.22Å; R218-A221 PolarHBondContact O-N 3.08Å; R218-A221 VanDerWaalsContact O-N 3.12Å; A221-K223 VanDerWaalsContact C-N 3.28Å; A221-K223 PolarHBondContact O-N 3.26Å; A221-I224 PolarHBondContact O-N 3.04Å
222A89.4Confident91.5Very high31 Ų3149.1 Ų49.126%0.25625%0.254SS..Hα-helixtrans-61.1-33.4174.700000113.3R218 V220 S225 E391R218-A222 PolarHBondContact O-N 2.86Å; V220-A222 VanDerWaalsContact C-N 3.26Å; V220-A222 PolarHBondContact O-N 3.22Å; A222-S225 PolarHBondContact O-OG 3.26Å; A222-E391 VanDerWaalsContact CB-OE1 3.28Å; A222-E391 WeakPolarHBondContact CB-OE1 3.44Å
223K90.6Very high91.4Very high57 Ų5754.2 Ų54.225%0.24828%0.28CS..Hα-helixtrans-86.7-17.2-178.6-66.9170.7-173.5163.80113.7D219 V220 A221 S225 K226 Y227D219-K223 WeakPolarHBondContact O-CG 3.37Å; V220-K223 CarbonylContact O-C 3.55Å; V220-K223 WeakPolarHBondContact O-CA 3.31Å; V220-K223 PolarHBondContact O-N 3.18Å; A221-K223 VanDerWaalsContact C-N 3.28Å; A221-K223 PolarHBondContact O-N 3.26Å; K223-S225 PolarHBondContact O-N 2.98Å; K223-K226 WeakPolarHBondContact O-CB 3.24Å; K223-K226 PolarHBondContact O-N 3.33Å; K223-Y227 HydrophobicContact CB-CE2 4.12Å; K223-Y227 VanDerWaalsContact O-CD2 3.27Å; K223-Y227 WeakPolarHBondContact O-CD2 3.24Å
224I91.3Very high91.4Very high14 Ų1456.9 Ų56.97%0.07229%0.293CS..Hα-helixtrans-54.8-39.6-178.3-71.1171.8000111.9V220 A221 K226 Y227 K234 T235 A238 V355V220-I224 HydrophobicContact CG1-CG1 4.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.33Å; V220-I224 PolarHBondContact O-N 3.06Å; A221-I224 PolarHBondContact O-N 3.04Å; I224-K226 VanDerWaalsContact C-N 3.27Å; I224-K226 PolarHBondContact O-N 2.98Å; I224-Y227 PolarHBondContact O-N 2.59Å; I224-K234 HydrophobicContact CG2-CD 4.23Å; I224-K234 HydrophobicContact CG2-CG 4.1Å; I224-T235 HydrophobicContact CD1-CG2 4.4Å; I224-T235 HydrophobicContact CG2-CG2 4.13Å; I224-A238 HydrophobicContact CG1-CB 3.69Å; I224-V355 HydrophobicContact CD1-CG1 4.27Å; I224-V355 HydrophobicContact CD1-CG2 3.4Å; I224-V355 VanDerWaalsContact CD1-CG2 3.4Å
225S89.2Confident91.2Very high81 Ų8157.9 Ų57.957%0.56630%0.3SS*.G310 helixtrans-63.4-31.5179.861.50000112.8A222 K223 Y227 W228A222-S225 PolarHBondContact O-OG 3.26Å; K223-S225 PolarHBondContact O-N 2.98Å; S225-Y227 VanDerWaalsContact C-N 3.25Å; S225-Y227 PolarHBondContact O-N 3.28Å; S225-W228 PolarHBondContact O-N 2.89Å
226K91.9Very high91.3Very high144 Ų14461 Ų6163%0.62632%0.316SS*.G310 helixtrans-66.1-28.9178.8-58.7-177.1-179.6179.90112K223 I224 W228K223-K226 WeakPolarHBondContact O-CB 3.24Å; K223-K226 PolarHBondContact O-N 3.33Å; I224-K226 VanDerWaalsContact C-N 3.27Å; I224-K226 PolarHBondContact O-N 2.98Å; K226-W228 VanDerWaalsContact C-N 3.26Å; K226-W228 PolarHBondContact O-N 3.49Å
227Y93Very high91.5Very high51 Ų5161.7 Ų61.720%0.232%0.322CS..G310 helixtrans-89.730.4179.9-55.2-61.9000113.8K223 I224 S225 Y229 L230 K234 A238 F241K223-Y227 HydrophobicContact CB-CE2 4.12Å; K223-Y227 VanDerWaalsContact O-CD2 3.27Å; K223-Y227 WeakPolarHBondContact O-CD2 3.24Å; I224-Y227 PolarHBondContact O-N 2.59Å; S225-Y227 VanDerWaalsContact C-N 3.25Å; S225-Y227 PolarHBondContact O-N 3.28Å; Y227-Y229 HydrophobicContact CD1-CE1 4.04Å; Y227-Y229 WeakPolarHBondContact CD1-OH 3.41Å; Y227-Y229 PolarHBondContact O-N 3.42Å; Y227-L230 PolarHBondContact O-N 3.04Å; Y227-L230 VanDerWaalsContact O-N 3.08Å; Y227-K234 VanDerWaalsContact O-CB 3.24Å; Y227-K234 WeakPolarHBondContact O-CB 3.45Å; Y227-A238 HydrophobicContact CD2-CB 3.64Å; Y227-A238 HydrophobicContact CE2-CB 3.82Å; Y227-F241 HydrophobicContact CD1-CD2 4.24Å; Y227-F241 HydrophobicContact CD1-CE2 4.21Å; Y227-F241 AromaticContact CE1-CD2 3.78Å; Y227-F241 HydrophobicContact CE1-CD2 3.78Å; Y227-F241 HydrophobicContact CE1-CE2 4.09Å; Y227-F241 HydrophobicContact CE2-CD2 4.32Å; Y227-F241 AromaticContact CZ-CD2 3.82Å
228W91.2Very high91.6Very high197 Ų19761.6 Ų61.675%0.74632%0.322SS*.G310 helixtrans-54.7-29.3-176.968.4-92.1000113.9S225 K226 L230 G231S225-W228 PolarHBondContact O-N 2.89Å; K226-W228 VanDerWaalsContact C-N 3.26Å; K226-W228 PolarHBondContact O-N 3.49Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 3.35Å; W228-G231 PolarHBondContact O-N 3.19Å
229Y93.4Very high91.7Very high134 Ų13461.3 Ų61.353%0.52532%0.321SS..G310 helixtrans-67.1-20.1-179.560.4-89.7000114.1Y227 G231Y227-Y229 HydrophobicContact CD1-CE1 4.04Å; Y227-Y229 WeakPolarHBondContact CD1-OH 3.41Å; Y227-Y229 PolarHBondContact O-N 3.42Å; Y229-G231 VanDerWaalsContact C-N 3.29Å
230L92.2Very high91.8Very high54 Ų5465.9 Ų65.928%0.28334%0.336SS..G310 helixtrans-85.4-0.2177.9-64.4175.8000113.4Y227 W228 P232 L233 K234 A237 F241Y227-L230 PolarHBondContact O-N 3.04Å; Y227-L230 VanDerWaalsContact O-N 3.08Å; W228-L230 VanDerWaalsContact C-N 3.26Å; W228-L230 PolarHBondContact O-N 3.35Å; L230-P232 WeakPolarHBondContact O-CD 3.5Å; L230-P232 VanDerWaalsContact O-N 3.17Å; L230-L233 HydrophobicContact CB-CB 4.48Å; L230-L233 PolarHBondContact O-N 3.5Å; L230-K234 HydrophobicContact CB-CB 4.19Å; L230-A237 HydrophobicContact CD1-CB 3.39Å; L230-F241 HydrophobicContact CD1-CE2 3.94Å; L230-F241 HydrophobicContact CD1-CZ 4.43Å
231G91.5Very high91.8Very high35 Ų3569.1 Ų69.136%0.36135%0.35SS..G310 helixtrans53.7-117.8175.700000112.5W228 Y229 L233 K234W228-G231 PolarHBondContact O-N 3.19Å; Y229-G231 VanDerWaalsContact C-N 3.29Å; G231-L233 VanDerWaalsContact C-N 3.28Å; G231-L233 PolarHBondContact O-N 2.62Å; G231-K234 WeakPolarHBondContact O-CB 3.25Å; G231-K234 WeakPolarHBondContact O-CD 3.46Å; G231-K234 WeakPolarHBondContact O-CG 3.35Å; G231-K234 PolarHBondContact O-N 3.01Å
232P90.3Very high91.8Very high120 Ų12067.8 Ų67.878%0.77934%0.337SS*.G310 helixtrans-69.5-22.3-178.129.9-35.1000113.6L230 K234L230-P232 WeakPolarHBondContact O-CD 3.5Å; L230-P232 VanDerWaalsContact O-N 3.17Å; P232-K234 VanDerWaalsContact C-N 3.33Å
233L91.5Very high91.9Very high106 Ų10667 Ų6756%0.55533%0.329SS*.G310 helixtrans-85.8-5.6-178.5-65.1175.1000113.1L230 G231 T235 N236 A237L230-L233 HydrophobicContact CB-CB 4.48Å; L230-L233 PolarHBondContact O-N 3.5Å; G231-L233 VanDerWaalsContact C-N 3.28Å; G231-L233 PolarHBondContact O-N 2.62Å; L233-T235 VanDerWaalsContact C-N 3.25Å; L233-T235 PolarHBondContact O-N 2.93Å; L233-N236 PolarHBondContact O-N 3.3Å; L233-A237 VanDerWaalsContact O-CB 3.25Å; L233-A237 WeakPolarHBondContact O-CB 3.27Å; L233-A237 PolarHBondContact O-N 3.27Å
234K93.4Very high91.9Very high78 Ų7869.4 Ų69.434%0.33934%0.344SS..Hα-helixtrans-57.1-35.3-173.972.2-176.1178.4176.80113.7I224 Y227 L230 G231 P232 A238I224-K234 HydrophobicContact CG2-CD 4.23Å; I224-K234 HydrophobicContact CG2-CG 4.1Å; Y227-K234 VanDerWaalsContact O-CB 3.24Å; Y227-K234 WeakPolarHBondContact O-CB 3.45Å; L230-K234 HydrophobicContact CB-CB 4.19Å; G231-K234 WeakPolarHBondContact O-CB 3.25Å; G231-K234 WeakPolarHBondContact O-CD 3.46Å; G231-K234 WeakPolarHBondContact O-CG 3.35Å; G231-K234 PolarHBondContact O-N 3.01Å; P232-K234 VanDerWaalsContact C-N 3.33Å; K234-A238 VanDerWaalsContact O-CB 3.24Å; K234-A238 WeakPolarHBondContact O-CB 3.35Å; K234-A238 PolarHBondContact O-N 3.23Å
235T90.8Very high91.8Very high29 Ų2977.5 Ų77.518%0.17837%0.374CS..Hα-helixtrans-70.8-52-179.358.40000110.4I224 L233 A237 A238 H239 N352 V355I224-T235 HydrophobicContact CD1-CG2 4.4Å; I224-T235 HydrophobicContact CG2-CG2 4.13Å; L233-T235 VanDerWaalsContact C-N 3.25Å; L233-T235 PolarHBondContact O-N 2.93Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 3.14Å; T235-A238 PolarHBondContact O-N 3.39Å; T235-H239 PolarHBondContact O-CD2 2.86Å; T235-H239 PolarHBondContact O-N 3.41Å; T235-H239 VanDerWaalsContact O-N 3.15Å; T235-N352 VanDerWaalsContact CB-OD1 3.28Å; T235-N352 WeakPolarHBondContact CB-OD1 3.31Å; T235-N352 PolarHBondContact OG1-OD1 2.93Å; T235-V355 HydrophobicContact CG2-CG1 4.44Å
236N92.8Very high91.4Very high65 Ų6577.8 Ų77.835%0.34837%0.366SS..Hα-helixtrans-57.9-46.1177-63.93.9000111.1L233 H239 W240 I348 N352L233-N236 PolarHBondContact O-N 3.3Å; N236-H239 PolarHBondContact O-N 3.17Å; N236-W240 WeakPolarHBondContact O-CB 3.24Å; N236-W240 PolarHBondContact O-N 3.44Å; N236-I348 HydrophobicContact CB-CG2 4.44Å; N236-N352 PolarHBondContact OD1-ND2 3.07Å; N236-N352 PolarHBondContact OD1-OD1 3.45Å
237A93.1Very high91Very high15 Ų1576.4 Ų76.412%0.12436%0.357CS..Hα-helixtrans-64.8-39.6-179.800000111.8L230 L233 T235 W240 F241L230-A237 HydrophobicContact CD1-CB 3.39Å; L233-A237 VanDerWaalsContact O-CB 3.25Å; L233-A237 WeakPolarHBondContact O-CB 3.27Å; L233-A237 PolarHBondContact O-N 3.27Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 3.14Å; A237-W240 PolarHBondContact O-N 3.05Å; A237-F241 HydrophobicContact CB-CD2 4.21Å; A237-F241 HydrophobicContact CB-CE2 3.84Å; A237-F241 HydrophobicContact CB-CZ 4.38Å; A237-F241 VanDerWaalsContact O-CB 3.32Å; A237-F241 WeakPolarHBondContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CD2 3.47Å; A237-F241 WeakPolarHBondContact O-CG 3.31Å; A237-F241 PolarHBondContact O-N 3.32Å
238A93.7Very high90.4Very high3 Ų378.5 Ų78.53%0.02538%0.377CS..Hα-helixtrans-61.6-45.5176.800000112V220 I224 Y227 K234 T235 H242V220-A238 HydrophobicContact CG1-CB 3.68Å; I224-A238 HydrophobicContact CG1-CB 3.69Å; Y227-A238 HydrophobicContact CD2-CB 3.64Å; Y227-A238 HydrophobicContact CE2-CB 3.82Å; K234-A238 VanDerWaalsContact O-CB 3.24Å; K234-A238 WeakPolarHBondContact O-CB 3.35Å; K234-A238 PolarHBondContact O-N 3.23Å; T235-A238 PolarHBondContact O-N 3.39Å; A238-H242 WeakPolarHBondContact O-CB 3.25Å; A238-H242 PolarHBondContact O-N 2.83Å; A238-H242 VanDerWaalsContact O-N 3.12Å
239H92.7Very high89.9Confident1 Ų169.8 Ų69.81%0.00535%0.345CS..Hα-helixtrans-63.2-45.2175.3-71.4-68.7000111V220 T235 N236 H242 T243 F347 I348 G351V220-H239 HydrophobicContact CG1-CB 4.45Å; V220-H239 VanDerWaalsContact CG1-CE1 3.45Å; V220-H239 WeakPolarHBondContact CG1-CE1 2.94Å; V220-H239 WeakPolarHBondContact CG1-ND1 3.41Å; T235-H239 PolarHBondContact O-CD2 2.86Å; T235-H239 PolarHBondContact O-N 3.41Å; T235-H239 VanDerWaalsContact O-N 3.15Å; N236-H239 PolarHBondContact O-N 3.17Å; H239-H242 PolarHBondContact O-N 3.42Å; H239-T243 WeakPolarHBondContact O-CG2 3.18Å; H239-T243 PolarHBondContact O-N 3.03Å; H239-T243 VanDerWaalsContact O-N 3.08Å; H239-T243 PolarHBondContact O-OG1 2.93Å; H239-F347 HydrophobicContact CB-CD1 4.34Å; H239-F347 HydrophobicContact CB-CE1 4.09Å; H239-F347 AromaticContact ND1-CE1 3.62Å; H239-I348 HydrophobicContact CB-CB 4.26Å; H239-I348 HydrophobicContact CB-CG1 3.76Å; H239-I348 HydrophobicContact CB-CG2 4.3Å; H239-G351 WeakPolarHBondContact CE1-CA 3.37Å; H239-G351 VanDerWaalsContact NE2-C 3.32Å; H239-G351 WeakPolarHBondContact NE2-CA 3.49Å
240W92.9Very high89.5Confident129 Ų12965.5 Ų65.549%0.48933%0.332SS..Hα-helixtrans-64-48.2-179.9-172.768.8000112.9N236 A237 H242 T243 L244 I348N236-W240 WeakPolarHBondContact O-CB 3.24Å; N236-W240 PolarHBondContact O-N 3.44Å; A237-W240 PolarHBondContact O-N 3.05Å; W240-H242 PolarHBondContact O-N 3.39Å; W240-T243 WeakPolarHBondContact CA-OG1 3.36Å; W240-T243 PolarHBondContact O-N 2.97Å; W240-T243 VanDerWaalsContact O-N 3.13Å; W240-T243 PolarHBondContact O-OG1 3.25Å; W240-L244 HydrophobicContact CD2-CD1 3.99Å; W240-L244 HydrophobicContact CD2-CG 4.35Å; W240-L244 HydrophobicContact CE3-CD1 3.78Å; W240-L244 HydrophobicContact CH2-CD1 3.6Å; W240-L244 HydrophobicContact CZ2-CD1 3.78Å; W240-L244 HydrophobicContact CZ2-CD2 4.22Å; W240-L244 HydrophobicContact CZ2-CG 4.32Å; W240-L244 HydrophobicContact CZ3-CD1 3.59Å; W240-L244 WeakPolarHBondContact O-CG 3.39Å; W240-L244 PolarHBondContact O-N 2.68Å; W240-I348 HydrophobicContact CB-CD1 4.14Å
241F93.2Very high89.2Confident68 Ų6865.8 Ų65.830%0.29833%0.332SS..Hα-helixtrans-60.7-33.5176.9-67.6-38.8000112.5Y227 L230 A237 L244 R245Y227-F241 HydrophobicContact CD1-CD2 4.24Å; Y227-F241 HydrophobicContact CD1-CE2 4.21Å; Y227-F241 AromaticContact CE1-CD2 3.78Å; Y227-F241 HydrophobicContact CE1-CD2 3.78Å; Y227-F241 HydrophobicContact CE1-CE2 4.09Å; Y227-F241 HydrophobicContact CE2-CD2 4.32Å; Y227-F241 AromaticContact CZ-CD2 3.82Å; L230-F241 HydrophobicContact CD1-CE2 3.94Å; L230-F241 HydrophobicContact CD1-CZ 4.43Å; A237-F241 HydrophobicContact CB-CD2 4.21Å; A237-F241 HydrophobicContact CB-CE2 3.84Å; A237-F241 HydrophobicContact CB-CZ 4.38Å; A237-F241 VanDerWaalsContact O-CB 3.32Å; A237-F241 WeakPolarHBondContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CD2 3.47Å; A237-F241 WeakPolarHBondContact O-CG 3.31Å; A237-F241 PolarHBondContact O-N 3.32Å; F241-L244 HydrophobicContact CD1-CD1 4.37Å; F241-R245 PolarHBondContact O-N 3.19Å
242H90.8Very high89Confident12 Ų1268.9 Ų68.96%0.05634%0.34CS..Hα-helixtrans-68.3-43.9175.1-166.540.8000111.6V220 A238 H239 W240 L244 R245 E246 L249V220-H242 HydrophobicContact CG2-CB 3.66Å; V220-H242 WeakPolarHBondContact CG2-CD2 3.46Å; A238-H242 WeakPolarHBondContact O-CB 3.25Å; A238-H242 PolarHBondContact O-N 2.83Å; A238-H242 VanDerWaalsContact O-N 3.12Å; H239-H242 PolarHBondContact O-N 3.42Å; W240-H242 PolarHBondContact O-N 3.39Å; H242-L244 VanDerWaalsContact C-N 3.26Å; H242-L244 PolarHBondContact O-N 3.29Å; H242-R245 PolarHBondContact O-N 3.17Å; H242-R245 VanDerWaalsContact O-N 3.1Å; H242-E246 PolarHBondContact O-N 2.84Å; H242-E246 VanDerWaalsContact O-N 3.12Å; H242-L249 WeakPolarHBondContact NE2-CD2 3.41Å
243T91.4Very high88.9Confident14 Ų1463.3 Ų63.39%0.08630%0.304CS..Hα-helixtrans-64.6-27.2176.857.70000113.8H239 W240 R245 W247 L249 V344 F347H239-T243 WeakPolarHBondContact O-CG2 3.18Å; H239-T243 PolarHBondContact O-N 3.03Å; H239-T243 VanDerWaalsContact O-N 3.08Å; H239-T243 PolarHBondContact O-OG1 2.93Å; W240-T243 WeakPolarHBondContact CA-OG1 3.36Å; W240-T243 PolarHBondContact O-N 2.97Å; W240-T243 VanDerWaalsContact O-N 3.13Å; W240-T243 PolarHBondContact O-OG1 3.25Å; T243-R245 VanDerWaalsContact C-N 3.33Å; T243-W247 HydrophobicContact CG2-CE3 3.85Å; T243-W247 HydrophobicContact CG2-CZ3 3.85Å; T243-L249 HydrophobicContact CG2-CD1 4.23Å; T243-V344 HydrophobicContact CG2-CG1 4.16Å; T243-F347 HydrophobicContact CG2-CD1 3.59Å; T243-F347 HydrophobicContact CG2-CE1 3.83Å; T243-F347 HydrophobicContact CG2-CG 4.48Å
244L90.7Very high88.9Confident108 Ų10860.4 Ų60.457%0.56529%0.293SS*.Hα-helixtrans-71.8-28.8174.2-72.6178.4000113.1W240 F241 H242W240-L244 HydrophobicContact CD2-CD1 3.99Å; W240-L244 HydrophobicContact CD2-CG 4.35Å; W240-L244 HydrophobicContact CE3-CD1 3.78Å; W240-L244 HydrophobicContact CH2-CD1 3.6Å; W240-L244 HydrophobicContact CZ2-CD1 3.78Å; W240-L244 HydrophobicContact CZ2-CD2 4.22Å; W240-L244 HydrophobicContact CZ2-CG 4.32Å; W240-L244 HydrophobicContact CZ3-CD1 3.59Å; W240-L244 WeakPolarHBondContact O-CG 3.39Å; W240-L244 PolarHBondContact O-N 2.68Å; F241-L244 HydrophobicContact CD1-CD1 4.37Å; H242-L244 VanDerWaalsContact C-N 3.26Å; H242-L244 PolarHBondContact O-N 3.29Å
245R87.4Confident88.8Confident184 Ų18456.8 Ų56.869%0.69428%0.277SS*.Hα-helixtrans-83.9-48.5-176.9-180178.8160.1153.62.6111.1F241 H242 T243F241-R245 PolarHBondContact O-N 3.19Å; H242-R245 PolarHBondContact O-N 3.17Å; H242-R245 VanDerWaalsContact O-N 3.1Å; T243-R245 VanDerWaalsContact C-N 3.33Å
246E82.1Confident88.9Confident87 Ų8756.2 Ų56.241%0.40727%0.274SS..SBendtrans-137.6125.3-174-79.6150.2-14300109H242 L249H242-E246 PolarHBondContact O-N 2.84Å; H242-E246 VanDerWaalsContact O-N 3.12Å; E246-L249 HydrophobicContact CB-CD2 3.82Å; E246-L249 VanDerWaalsContact O-CD2 3.31Å; E246-L249 WeakPolarHBondContact O-CD2 3.46Å; E246-L249 WeakPolarHBondContact O-CG 3.46Å
247W83.1Confident88.9Confident114 Ų11453.6 Ų53.643%0.43226%0.26SS..SBendtrans-157.6134.8173.1-172.5-93.9000109.7T243 L249 K342 V344 F347T243-W247 HydrophobicContact CG2-CE3 3.85Å; T243-W247 HydrophobicContact CG2-CZ3 3.85Å; W247-L249 HydrophobicContact CE3-CD1 4.14Å; W247-L249 HydrophobicContact CE3-CG 4.22Å; W247-L249 HydrophobicContact CZ3-CD1 4.3Å; W247-K342 VanDerWaalsContact CH2-O 3.27Å; W247-K342 WeakPolarHBondContact CH2-O 3.29Å; W247-K342 WeakPolarHBondContact CZ2-O 3.19Å; W247-V344 HydrophobicContact CD2-CG2 4.11Å; W247-V344 HydrophobicContact CE3-CG2 4.18Å; W247-V344 HydrophobicContact CH2-CG2 3.97Å; W247-V344 HydrophobicContact CZ2-CG2 3.88Å; W247-V344 HydrophobicContact CZ3-CG2 4.12Å; W247-F347 HydrophobicContact CH2-CB 4.4Å; W247-F347 HydrophobicContact CZ3-CB 4.37Å; W247-F347 HydrophobicContact CZ3-CG 4.38Å
248P79.6Confident88.9Confident95 Ų9553.4 Ų53.462%0.61726%0.257SS*.SBendcis-76.7145.91.132-35.7000113.6V250P248-V250 VanDerWaalsContact C-N 3.34Å; P248-V250 HydrophobicContact CB-CG2 4.12Å; P248-V250 PolarHBondContact O-N 2.79Å
249L82.4Confident88.6Confident14 Ų1456.6 Ų56.67%0.07328%0.284CS..  trans-9364.5-176-68.5167.2000111A216 H242 T243 E246 W247 A313 F347A216-L249 HydrophobicContact CB-CB 3.73Å; A216-L249 HydrophobicContact CB-CD1 4.09Å; A216-L249 HydrophobicContact CB-CD2 4.46Å; A216-L249 HydrophobicContact CB-CG 4.32Å; H242-L249 WeakPolarHBondContact NE2-CD2 3.41Å; T243-L249 HydrophobicContact CG2-CD1 4.23Å; E246-L249 HydrophobicContact CB-CD2 3.82Å; E246-L249 VanDerWaalsContact O-CD2 3.31Å; E246-L249 WeakPolarHBondContact O-CD2 3.46Å; E246-L249 WeakPolarHBondContact O-CG 3.46Å; W247-L249 HydrophobicContact CE3-CD1 4.14Å; W247-L249 HydrophobicContact CE3-CG 4.22Å; W247-L249 HydrophobicContact CZ3-CD1 4.3Å; L249-A313 WeakPolarHBondContact O-CA 3.2Å; L249-F347 HydrophobicContact CD1-CE1 4.1Å; L249-F347 HydrophobicContact CD1-CE2 4.19Å; L249-F347 HydrophobicContact CD1-CZ 3.79Å
250V85.1Confident88.4Confident44 Ų4458.5 Ų58.527%0.26730%0.296SS..  trans-122.3137.1-170.2176.90000109.6P248 N311P248-V250 VanDerWaalsContact C-N 3.34Å; P248-V250 HydrophobicContact CB-CG2 4.12Å; P248-V250 PolarHBondContact O-N 2.79Å; V250-N311 VanDerWaalsContact CG1-ND2 3.31Å; V250-N311 WeakPolarHBondContact CG1-ND2 3.39Å; V250-N311 WeakPolarHBondContact CG1-OD1 3.28Å
251H85Confident88.1Confident61 Ų6158.2 Ų58.228%0.28230%0.295SS..EExtended strand (participates in β ladder)trans-125.9134.4177.7-5678.3000109.7W214 T312W214-H251 HydrophobicContact CE3-CB 4.48Å; W214-H251 HydrophobicContact CH2-CB 3.39Å; W214-H251 AromaticContact CH2-CD2 3.93Å; W214-H251 AromaticContact CH2-CG 3.84Å; W214-H251 HydrophobicContact CZ2-CB 4.33Å; W214-H251 HydrophobicContact CZ3-CB 3.41Å; W214-H251 VanDerWaalsContact CZ3-CB 3.41Å; H251-T312 PolarHBondContact N-O 3.48Å; H251-T312 PolarHBondContact O-N 3.17Å
252D87.4Confident87.8Confident99 Ų9959.8 Ų59.853%0.52931%0.312SS..EExtended strand (participates in β ladder)trans-87.2130.2172.1-64.3-37.5000109.3N311 P378D252-N311 WeakPolarHBondContact OD1-CB 3.41Å; D252-N311 PolarHBondContact OD1-ND2 3.01Å; D252-P378 VanDerWaalsContact O-CD 3.29Å; D252-P378 WeakPolarHBondContact O-CD 3.37Å; D252-P378 WeakPolarHBondContact O-CG 3.36Å
253V88.3Confident87.4Confident3 Ų361.3 Ų61.32%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-133.2133.2178.8-172.10000109.9W214 V255 L310 L315 L375W214-V253 HydrophobicContact CE3-CG2 3.76Å; W214-V253 HydrophobicContact CH2-CG2 3.72Å; W214-V253 HydrophobicContact CZ3-CB 4.49Å; W214-V253 HydrophobicContact CZ3-CG2 3.01Å; V253-V255 HydrophobicContact CB-CG2 4.47Å; V253-V255 HydrophobicContact CG1-CG2 3.8Å; V253-L310 PolarHBondContact N-O 3.41Å; V253-L310 PolarHBondContact O-N 3.49Å; V253-L315 HydrophobicContact CG1-CD2 4.28Å; V253-L375 HydrophobicContact CG1-CD2 4.19Å
254S91.3Very high87Confident46 Ų4664 Ų6432%0.32234%0.336SS..EExtended strand (participates in β ladder)trans-95.7120.6166.332.50000109.8T376S254-T376 VanDerWaalsContact CB-OG1 3.23Å; S254-T376 WeakPolarHBondContact CB-OG1 3.49Å; S254-T376 PolarHBondContact N-O 2.95Å; S254-T376 PolarHBondContact O-N 3.34Å; S254-T376 PolarHBondContact O-OG1 2.89Å; S254-T376 PolarHBondContact OG-O 3.4Å; S254-T376 PolarHBondContact OG-OG1 2.87Å
255V91.7Very high86.2Confident1 Ų163.8 Ų63.81%0.00634%0.34CS..EExtended strand (participates in β ladder)trans-114.9120-179.5-1730000108.5V253 L257 Q308 L310 I335 C373 R374 L375V253-V255 HydrophobicContact CB-CG2 4.47Å; V253-V255 HydrophobicContact CG1-CG2 3.8Å; V255-L257 HydrophobicContact CG1-CD2 3.49Å; V255-L257 VanDerWaalsContact CG1-CD2 3.49Å; V255-L257 HydrophobicContact CG1-CG 4.08Å; V255-Q308 PolarHBondContact N-O 3.43Å; V255-Q308 PolarHBondContact O-N 3.21Å; V255-L310 HydrophobicContact CG2-CD1 3.92Å; V255-I335 HydrophobicContact CG1-CD1 4.3Å; V255-C373 WeakPolarHBondContact CG1-SG 3.49Å; V255-R374 WeakPolarHBondContact CA-O 3.25Å; V255-L375 HydrophobicContact CB-CD2 4.43Å; V255-L375 HydrophobicContact CG1-CD2 4.13Å; V255-L375 HydrophobicContact CG2-CD2 3.72Å
256S93.1Very high85.2Confident17 Ų1759.3 Ų59.312%0.11933%0.33CS..EExtended strand (participates in β ladder)trans-101.212817171.30000109.9W305 E306 C373 R374S256-W305 WeakPolarHBondContact O-CZ3 3.3Å; S256-W305 VanDerWaalsContact OG-CE3 3.3Å; S256-W305 WeakPolarHBondContact OG-CZ3 3.47Å; S256-E306 CarbonylContact C-O 3.47Å; S256-E306 WeakPolarHBondContact CA-O 3.37Å; S256-C373 CarbonylContact O-C 3.49Å; S256-C373 WeakPolarHBondContact O-CA 3.44Å; S256-R374 PolarHBondContact N-O 3.37Å; S256-R374 PolarHBondContact O-N 3.04Å; S256-R374 VanDerWaalsContact OG-CB 3.3Å; S256-R374 WeakPolarHBondContact OG-CB 3.46Å
257L92.8Very high84.1Confident10 Ų1061.8 Ų61.85%0.05235%0.346CS..EExtended strand (participates in β ladder)trans-114.9142.4-169.2-57.5171.1000111.3V255 W305 E306 Q308 I335 L368 A370 C373V255-L257 HydrophobicContact CG1-CD2 3.49Å; V255-L257 VanDerWaalsContact CG1-CD2 3.49Å; V255-L257 HydrophobicContact CG1-CG 4.08Å; L257-W305 WeakPolarHBondContact O-CA 3.28Å; L257-E306 PolarHBondContact N-O 2.97Å; L257-E306 PolarHBondContact O-N 2.85Å; L257-Q308 HydrophobicContact CD1-CG 4.37Å; L257-I335 HydrophobicContact CD2-CD1 3.18Å; L257-L368 HydrophobicContact CD1-CB 4.4Å; L257-L368 HydrophobicContact CD1-CD1 3.97Å; L257-A370 HydrophobicContact CB-CB 4.31Å; L257-A370 HydrophobicContact CD2-CB 3.89Å; L257-C373 HydrophobicContact CD2-CB 4.25Å
258L91.6Very high82.8Confident11 Ų1162.9 Ų62.96%0.05836%0.36CS..EExtended strand (participates in β ladder)trans-107.3136.7162.4-71.5-178.7000110.2E303 K304 W305 A370 S371 V372L258-E303 HydrophobicContact CD1-CB 4.34Å; L258-E303 WeakPolarHBondContact CD1-OE2 3.2Å; L258-E303 HydrophobicContact CD2-CB 3.83Å; L258-K304 WeakPolarHBondContact CD2-O 3.48Å; L258-W305 HydrophobicContact CD1-CD2 4.45Å; L258-W305 HydrophobicContact CD1-CH2 3.71Å; L258-W305 HydrophobicContact CD1-CZ2 3.48Å; L258-W305 VanDerWaalsContact CD1-CZ2 3.48Å; L258-W305 HydrophobicContact CD1-CZ3 4.27Å; L258-W305 HydrophobicContact CD2-CD2 3.65Å; L258-W305 HydrophobicContact CD2-CE3 4.08Å; L258-W305 HydrophobicContact CD2-CG 3.91Å; L258-W305 HydrophobicContact CD2-CZ2 4.16Å; L258-W305 HydrophobicContact CG-CD2 3.84Å; L258-W305 HydrophobicContact CG-CE3 3.82Å; L258-W305 HydrophobicContact CG-CH2 3.75Å; L258-W305 HydrophobicContact CG-CZ2 3.74Å; L258-W305 HydrophobicContact CG-CZ3 3.78Å; L258-A370 CarbonylContact O-C 3.54Å; L258-A370 VanDerWaalsContact O-CA 3.25Å; L258-A370 WeakPolarHBondContact O-CA 3.19Å; L258-A370 VanDerWaalsContact O-CB 3.3Å; L258-A370 WeakPolarHBondContact O-CB 3.19Å; L258-S371 PolarHBondContact O-N 2.94Å; L258-V372 HydrophobicContact CB-CB 4.15Å; L258-V372 HydrophobicContact CD1-CB 3.94Å; L258-V372 HydrophobicContact CD1-CG2 4.13Å; L258-V372 HydrophobicContact CG-CB 4.34Å; L258-V372 PolarHBondContact N-O 3.32Å
259A88.1Confident81.6Confident71 Ų7164.3 Ų64.359%0.58737%0.369SS*.PPolyproline II helixtrans-54.2148.9-178.500000112.5S371A259-S371 WeakPolarHBondContact O-CB 3.47Å; A259-S371 PolarHBondContact O-OG 3.36Å
260P89.1Confident80Confident41 Ų4172.1 Ų72.127%0.26641%0.405SS..PPolyproline II helixtrans-53.4143.4172.2-28.837.3000112.6N330 E369P260-N330 HydrophobicContact CB-CB 3.9Å; P260-E369 HydrophobicContact CG-CB 3.95Å
261R86.4Confident78.5Confident122 Ų12281 Ų8146%0.4643%0.434SS..EExtended strand (participates in β ladder)trans-97.2139.7175.6-66.2-175.8-176.2-167.4-1.9109.8R263 E303 N330 D331R261-R263 PolarHBondContact O-N 3.06Å; R261-E303 IonicContact NH2-OE1 2.73Å; R261-E303 PolarHBondContact NH2-OE1 2.88Å; R261-N330 CarbonylContact O-C 3.5Å; R261-N330 VanDerWaalsContact O-CA 3.31Å; R261-N330 WeakPolarHBondContact O-CA 3.36Å; R261-D331 PolarHBondContact O-N 2.88Å
262P86.5Confident77.5Confident102 Ų10283.4 Ų83.466%0.66246%0.455SS*.EExtended strand (participates in β ladder)trans-65.1137.2176.827.7-33.6000109.9P264P262-P264 WeakPolarHBondContact O-CD 3.11Å
263R82.8Confident76.8Confident43 Ų4384.5 Ų84.516%0.16247%0.467CS..PPolyproline II helixtrans-69.5123179.9178.4175.1-69.9-176.80.5109.3R261 E326 R328 I329 D331R261-R263 PolarHBondContact O-N 3.06Å; R263-E326 PolarHBondContact NH1-O 2.88Å; R263-R328 WeakPolarHBondContact CD-O 3.41Å; R263-I329 VanDerWaalsContact CB-O 3.29Å; R263-I329 WeakPolarHBondContact CB-O 3.37Å; R263-I329 PolarHBondContact N-O 3.37Å; R263-D331 IonicContact CZ-OD1 3.78Å; R263-D331 IonicContact NE-OD1 3.21Å; R263-D331 PolarHBondContact NE-OD1 3.17Å; R263-D331 IonicContact NH2-OD1 2.73Å; R263-D331 PolarHBondContact NH2-OD1 3.4Å
264P82Confident76.2Confident72 Ų7294 Ų9447%0.46850%0.503SS..PPolyproline II helixtrans-67.6143.5170.325.7-30.2000109.4P262 D266 R404P262-P264 WeakPolarHBondContact O-CD 3.11Å; P264-D266 PolarHBondContact O-N 3.28Å; P264-R404 VanDerWaalsContact CD-NH2 3.33Å; P264-R404 VanDerWaalsContact CG-NH2 3.29Å; P264-R404 PolarHBondContact O-NH1 2.88Å
265P75.5Confident75.8Confident102 Ų10294.3 Ų94.366%0.66250%0.504SS*.PPolyproline II helixtrans-56.3140-174.523.4-33.6000111.1L267P265-L267 HydrophobicContact CB-CG 4.36Å; P265-L267 HydrophobicContact CG-CD1 4.23Å; P265-L267 HydrophobicContact CG-CG 4.5Å; P265-L267 PolarHBondContact O-N 2.99Å
266D66.1Low75.7Confident91 Ų91100.6 Ų100.649%0.48754%0.537SS..  trans-70.368.8175.4-64.9-42.7000110P264 R404P264-D266 PolarHBondContact O-N 3.28Å; D266-R404 IonicContact OD1-CZ 3.73Å; D266-R404 IonicContact OD1-NH1 3.77Å; D266-R404 PolarHBondContact OD1-NH1 3.04Å
267L57.7Low75.4Confident139 Ų139105.7 Ų105.773%0.72856%0.563SS**  trans-92.5132.6168.7-67.9170.7000107.8P265P265-L267 HydrophobicContact CB-CG 4.36Å; P265-L267 HydrophobicContact CG-CD1 4.23Å; P265-L267 HydrophobicContact CG-CG 4.5Å; P265-L267 PolarHBondContact O-N 2.99Å
268D55.8Low75.2Confident137 Ų137111.2 Ų111.273%0.73359%0.592SS**  trans-53.2137.6168.4-77.3-41.8000108.6Q270D268-Q270 PolarHBondContact O-N 3.11Å
269P54.6Low74.9Confident125 Ų125115.5 Ų115.581%0.81261%0.611SS**  trans-62.292.2176.8-2.39.4000108.7R271P269-R271 VanDerWaalsContact C-N 3.31Å; P269-R271 PolarHBondContact O-N 3.4Å
270Q48.3Very low74.8Confident177 Ų177115.9 Ų115.983%0.82760%0.597SS**  trans-67.898.3170.5-69.5-166.24.400105.9D268 P272D268-Q270 PolarHBondContact O-N 3.11Å; Q270-P272 VanDerWaalsContact O-CD 3.3Å; Q270-P272 WeakPolarHBondContact O-CD 3.17Å; Q270-P272 VanDerWaalsContact O-N 3.07Å
271R54.3Low74.8Confident231 Ų231118 Ų11887%0.87261%0.606SS**PPolyproline II helixtrans-57.5118.2166.5-74.9-177.3178.6172.90.4105.7P269P269-R271 VanDerWaalsContact C-N 3.31Å; P269-R271 PolarHBondContact O-N 3.4Å
272P63.9Low74.8Confident111 Ų111116.8 Ų116.872%0.72161%0.607SS**PPolyproline II helixtrans-55.3136179.321.9-31.9000107.9Q270 R274Q270-P272 VanDerWaalsContact O-CD 3.3Å; Q270-P272 WeakPolarHBondContact O-CD 3.17Å; Q270-P272 VanDerWaalsContact O-N 3.07Å; P272-R274 PolarHBondContact O-N 3.31Å
273P73.5Confident74.7Confident122 Ų122119.2 Ų119.279%0.79260%0.603SS**PPolyproline II helixtrans-53131.2-177.620.3-31.7000109P275P273-P275 WeakPolarHBondContact O-CD 3.48Å
274R75.1Confident74.8Confident202 Ų202126.9 Ų126.976%0.76263%0.632SS**PPolyproline II helixtrans-57.9118.2-172.8-152.5-172.3173.2-174.1-1.2107.8P272 R280P272-R274 PolarHBondContact O-N 3.31Å; R274-R280 VanDerWaalsContact NH2-NH1 3.16Å
275P82.4Confident75Confident53 Ų53128.1 Ų128.134%0.34463%0.634SS.*PPolyproline II helixtrans-63.3153.6-17322.6-32.7000111P273 H279 R280P273-P275 WeakPolarHBondContact O-CD 3.48Å; P275-H279 HydrophobicContact CB-CB 4.29Å; P275-R280 HydrophobicContact CG-CG 4.16Å; P275-R280 VanDerWaalsContact O-CZ 3.3Å; P275-R280 PolarHBondContact O-NE 3.31Å; P275-R280 PolarHBondContact O-NH2 3.41Å
276N89.2Confident75.5Confident133 Ų133130 Ų13071%0.71163%0.632SS**PPolyproline II helixtrans-52.8152.1179.8-74.4-10.8000112.2L278 H279 R280N276-L278 VanDerWaalsContact C-N 3.28Å; N276-L278 PolarHBondContact O-N 3.06Å; N276-H279 WeakPolarHBondContact O-CB 3.3Å; N276-H279 PolarHBondContact O-N 3.01Å; N276-R280 PolarHBondContact O-N 3.08Å; N276-R280 VanDerWaalsContact O-N 3.13Å
277L87.8Confident76.4Confident125 Ų125129 Ų12965%0.65463%0.627SS**Hα-helixtrans-58.9-40.5-172.4-147.9145.7000111.9H279 R280 I281L277-H279 PolarHBondContact O-N 3.3Å; L277-R280 PolarHBondContact O-N 3.35Å; L277-I281 HydrophobicContact CD2-CD1 3.67Å; L277-I281 HydrophobicContact CD2-CG1 4.3Å; L277-I281 WeakPolarHBondContact O-CG1 3.37Å; L277-I281 PolarHBondContact O-N 3.23Å
278L88.4Confident77.7Confident126 Ų126131.8 Ų131.866%0.6663%0.629SS**Hα-helixtrans-60.6-42.8174.8-131.4148.7000112.1N276 R280 I281 I282N276-L278 VanDerWaalsContact C-N 3.28Å; N276-L278 PolarHBondContact O-N 3.06Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.33Å; L278-I281 PolarHBondContact O-N 3.27Å; L278-I282 HydrophobicContact CD2-CD1 3.59Å; L278-I282 HydrophobicContact CD2-CG1 4.21Å; L278-I282 WeakPolarHBondContact O-CB 3.49Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.41Å; L278-I282 PolarHBondContact O-N 3.23Å
279H85.9Confident79Confident101 Ų101135 Ų13547%0.46863%0.631SS.*Hα-helixtrans-64.4-34.2176.5-171.890.2000112.1P275 N276 L277 R283P275-H279 HydrophobicContact CB-CB 4.29Å; N276-H279 WeakPolarHBondContact O-CB 3.3Å; N276-H279 PolarHBondContact O-N 3.01Å; L277-H279 PolarHBondContact O-N 3.3Å; H279-R283 VanDerWaalsContact O-CB 3.24Å; H279-R283 WeakPolarHBondContact O-CB 3.26Å; H279-R283 PolarHBondContact O-N 3.45Å
280R86.2Confident80.3Confident78 Ų78132.5 Ų132.529%0.29462%0.617SS.*Hα-helixtrans-72-39174.5-65.7-171.6-144.2142.215.2112.9R274 P275 N276 L277 L278 R283 R284R274-R280 VanDerWaalsContact NH2-NH1 3.16Å; P275-R280 HydrophobicContact CG-CG 4.16Å; P275-R280 VanDerWaalsContact O-CZ 3.3Å; P275-R280 PolarHBondContact O-NE 3.31Å; P275-R280 PolarHBondContact O-NH2 3.41Å; N276-R280 PolarHBondContact O-N 3.08Å; N276-R280 VanDerWaalsContact O-N 3.13Å; L277-R280 PolarHBondContact O-N 3.35Å; L278-R280 VanDerWaalsContact C-N 3.31Å; L278-R280 PolarHBondContact O-N 3.33Å; R280-R283 PolarHBondContact O-N 3.1Å; R280-R284 WeakPolarHBondContact O-CB 3.24Å; R280-R284 PolarHBondContact O-N 3.14Å
281I88.3Confident81.9Confident87 Ų87128.6 Ų128.645%0.44661%0.607SS.*Hα-helixtrans-63.7-47.8175.2-66.9169.8000109.4L277 L278 R283 R284 L285L277-I281 HydrophobicContact CD2-CD1 3.67Å; L277-I281 HydrophobicContact CD2-CG1 4.3Å; L277-I281 WeakPolarHBondContact O-CG1 3.37Å; L277-I281 PolarHBondContact O-N 3.23Å; L278-I281 PolarHBondContact O-N 3.27Å; I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.37Å; I281-R284 PolarHBondContact O-N 3.47Å; I281-L285 HydrophobicContact CG2-CD1 3.88Å; I281-L285 HydrophobicContact CG2-CG 4.5Å; I281-L285 WeakPolarHBondContact O-CG 3.37Å; I281-L285 PolarHBondContact O-N 2.89Å
282I86.4Confident82.7Confident95 Ų95122.1 Ų122.149%0.48759%0.594SS.*Hα-helixtrans-59.2-44.9175.8-67.2165.3000110.6L278 R284 L285 K286L278-I282 HydrophobicContact CD2-CD1 3.59Å; L278-I282 HydrophobicContact CD2-CG1 4.21Å; L278-I282 WeakPolarHBondContact O-CB 3.49Å; L278-I282 VanDerWaalsContact O-CG1 3.24Å; L278-I282 WeakPolarHBondContact O-CG1 3.41Å; L278-I282 PolarHBondContact O-N 3.23Å; I282-R284 PolarHBondContact O-N 3.11Å; I282-L285 PolarHBondContact O-N 3.32Å; I282-K286 VanDerWaalsContact O-CB 3.22Å; I282-K286 WeakPolarHBondContact O-CB 3.38Å; I282-K286 PolarHBondContact O-N 3.02Å
283R84.1Confident83Confident154 Ų154121 Ų12158%0.58160%0.595SS**Hα-helixtrans-65.9-37.1178.7-165.6175.2-175.9-174.40.6112.4H279 R280 I281 N287H279-R283 VanDerWaalsContact O-CB 3.24Å; H279-R283 WeakPolarHBondContact O-CB 3.26Å; H279-R283 PolarHBondContact O-N 3.45Å; R280-R283 PolarHBondContact O-N 3.1Å; I281-R283 VanDerWaalsContact C-N 3.34Å; I281-R283 PolarHBondContact O-N 3.37Å; R283-N287 VanDerWaalsContact O-CB 3.29Å; R283-N287 WeakPolarHBondContact O-CB 3.39Å; R283-N287 PolarHBondContact O-N 2.96Å; R283-N287 PolarHBondContact O-OD1 3.17Å
284R84.6Confident82.7Confident204 Ų204119.8 Ų119.877%0.7760%0.595SS**Hα-helixtrans-65.7-46172.9-87.3-171.9-173.9176.70.8112.1R280 I281 I282 K286 N287 Y288R280-R284 WeakPolarHBondContact O-CB 3.24Å; R280-R284 PolarHBondContact O-N 3.14Å; I281-R284 PolarHBondContact O-N 3.47Å; I282-R284 PolarHBondContact O-N 3.11Å; R284-K286 VanDerWaalsContact C-N 3.35Å; R284-N287 PolarHBondContact O-N 3.02Å; R284-Y288 WeakPolarHBondContact O-CB 3.45Å; R284-Y288 PolarHBondContact O-N 2.96Å
285L87.6Confident82Confident97 Ų97118.6 Ų118.651%0.50860%0.598SS.*Hα-helixtrans-61.9-45.2176-74.7166.6000110.5I281 I282 N287 Y288 W289I281-L285 HydrophobicContact CG2-CD1 3.88Å; I281-L285 HydrophobicContact CG2-CG 4.5Å; I281-L285 WeakPolarHBondContact O-CG 3.37Å; I281-L285 PolarHBondContact O-N 2.89Å; I282-L285 PolarHBondContact O-N 3.32Å; L285-N287 PolarHBondContact O-N 3.2Å; L285-Y288 PolarHBondContact O-N 2.7Å; L285-Y288 VanDerWaalsContact O-N 3.17Å; L285-W289 PolarHBondContact O-N 3.43Å
286K84.5Confident80.9Confident142 Ų142121.7 Ų121.762%0.61762%0.618SS**Hα-helixtrans-59.4-45.3175.3-170.1176.5-178.5179.80111.7I282 R284 Y288 W289 S290I282-K286 VanDerWaalsContact O-CB 3.22Å; I282-K286 WeakPolarHBondContact O-CB 3.38Å; I282-K286 PolarHBondContact O-N 3.02Å; R284-K286 VanDerWaalsContact C-N 3.35Å; K286-Y288 VanDerWaalsContact C-N 3.32Å; K286-Y288 PolarHBondContact O-N 3.38Å; K286-W289 PolarHBondContact O-N 3.23Å; K286-S290 CarbonylContact O-C 3.38Å; K286-S290 WeakPolarHBondContact O-CA 3.33Å; K286-S290 WeakPolarHBondContact O-CB 3.4Å; K286-S290 PolarHBondContact O-N 3.34Å; K286-S290 VanDerWaalsContact O-O 3.1Å
287N85.3Confident79.3Confident71 Ų71123.4 Ų123.438%0.3863%0.626SS.*Hα-helixtrans-70.2-25.4177.6-70.94.5000113.2R283 R284 L285 S290 P291R283-N287 VanDerWaalsContact O-CB 3.29Å; R283-N287 WeakPolarHBondContact O-CB 3.39Å; R283-N287 PolarHBondContact O-N 2.96Å; R283-N287 PolarHBondContact O-OD1 3.17Å; R284-N287 PolarHBondContact O-N 3.02Å; L285-N287 PolarHBondContact O-N 3.2Å; N287-S290 CarbonylContact O-C 3.59Å; N287-P291 WeakPolarHBondContact O-CA 3.4Å
288Y84.8Confident77.7Confident196 Ų196126.3 Ų126.377%0.76963%0.634SS**Hα-helixtrans-74.3-41.7174.3-177.8-90000111.6R284 L285 K286R284-Y288 WeakPolarHBondContact O-CB 3.45Å; R284-Y288 PolarHBondContact O-N 2.96Å; L285-Y288 PolarHBondContact O-N 2.7Å; L285-Y288 VanDerWaalsContact O-N 3.17Å; K286-Y288 VanDerWaalsContact C-N 3.32Å; K286-Y288 PolarHBondContact O-N 3.38Å
289W84.5Confident76Confident204 Ų204126.3 Ų126.377%0.77364%0.641SS**Hα-helixtrans-83.6-25.4-179.7-73.160.1000113L285 K286L285-W289 PolarHBondContact O-N 3.43Å; K286-W289 PolarHBondContact O-N 3.23Å
290S82.1Confident74.7Confident73 Ų73130 Ų13051%0.5166%0.658SS.*SBendtrans-145.278.4-178.6-52.70000107.7K286 N287K286-S290 CarbonylContact O-C 3.38Å; K286-S290 WeakPolarHBondContact O-CA 3.33Å; K286-S290 WeakPolarHBondContact O-CB 3.4Å; K286-S290 PolarHBondContact O-N 3.34Å; K286-S290 VanDerWaalsContact O-O 3.1Å; N287-S290 CarbonylContact O-C 3.59Å
291P80.4Confident73.6Confident96 Ų96134.5 Ų134.562%0.62368%0.683SS**PPolyproline II helixtrans-53.2131.5173.420.4-29.7000107.9N287 A293N287-P291 WeakPolarHBondContact O-CA 3.4Å; P291-A293 PolarHBondContact O-N 3.01Å
292P71.8Confident72.6Confident94 Ų94135.8 Ų135.861%0.6170%0.697SS**PPolyproline II helixtrans-54.8123.7174.922.4-30.5000106.8A294P292-A294 PolarHBondContact O-N 3.32Å
293A69.8Low72.1Confident89 Ų89135.9 Ų135.974%0.73670%0.695SS**PPolyproline II helixtrans-50.9131.2168.800000106.4P291 E295P291-A293 PolarHBondContact O-N 3.01Å; A293-E295 PolarHBondContact O-N 3.01Å
294A66.8Low72.1Confident95 Ų95137.4 Ų137.479%0.78571%0.706SS**PPolyproline II helixtrans-49117.7171.100000106P292 P296P292-A294 PolarHBondContact O-N 3.32Å; A294-P296 WeakPolarHBondContact O-CD 3.4Å
295E62Low72.2Confident178 Ų178131.1 Ų131.183%0.83268%0.682SS**PPolyproline II helixtrans-51.8124.3176.3-77.8-178.7172.600105.6A293 L297A293-E295 PolarHBondContact O-N 3.01Å; E295-L297 PolarHBondContact O-N 3.37Å
296P58Low72.3Confident117 Ų117132.5 Ų132.576%0.7669%0.686SS**PPolyproline II helixtrans-54.3123.717521.4-29.8000105.8A294 K298A294-P296 WeakPolarHBondContact O-CD 3.4Å; P296-K298 PolarHBondContact O-N 3.44Å
297L55.3Low72.5Confident169 Ų169133.9 Ų133.989%0.88570%0.695SS**  trans-45.6112.4173.5-79159.4000105.8E295 P299E295-L297 PolarHBondContact O-N 3.37Å; L297-P299 VanDerWaalsContact O-N 3.14Å
298K54.6Low72.7Confident187 Ų187133.4 Ų133.481%0.81369%0.691SS**  trans-50.7128.4173.5-82.4-178.2177.1178.80105.5P296 E300P296-K298 PolarHBondContact O-N 3.44Å; K298-E300 PolarHBondContact O-N 3.14Å
299P54.1Low72.9Confident125 Ų125132.6 Ų132.681%0.81269%0.694SS**  trans-54113.3173.8-18.328000106.4L297 E301L297-P299 VanDerWaalsContact O-N 3.14Å; P299-E301 PolarHBondContact O-N 2.88Å; P299-E301 VanDerWaalsContact O-N 3.09Å
300E58.6Low73.1Confident179 Ų179123.6 Ų123.684%0.83666%0.661SS**PPolyproline II helixtrans-59118.7171.3-70.4-177.5160.600105.3K298K298-E300 PolarHBondContact O-N 3.14Å
301E61.8Low73.5Confident173 Ų173124.4 Ų124.481%0.80866%0.659SS**PPolyproline II helixtrans-53.3135174.7-69.2-178.8176.900107.7P299 E303P299-E301 PolarHBondContact O-N 2.88Å; P299-E301 VanDerWaalsContact O-N 3.09Å; E301-E303 PolarHBondContact O-N 3.19Å
302P67.3Low73.9Confident114 Ų114120 Ų12074%0.7463%0.631SS**PPolyproline II helixtrans-57117.5-176.122-32000109.1K304P302-K304 PolarHBondContact O-N 3.21Å; P302-K304 VanDerWaalsContact O-N 3.11Å
303E76.9Confident74.7Confident97 Ų97115.8 Ų115.845%0.45360%0.604SS.*PPolyproline II helixtrans-58.7117.6179.4-64.5-171.6144.700108.4L258 R261 E301 W305L258-E303 HydrophobicContact CD1-CB 4.34Å; L258-E303 WeakPolarHBondContact CD1-OE2 3.2Å; L258-E303 HydrophobicContact CD2-CB 3.83Å; R261-E303 IonicContact NH2-OE1 2.73Å; R261-E303 PolarHBondContact NH2-OE1 2.88Å; E301-E303 PolarHBondContact O-N 3.19Å; E303-W305 PolarHBondContact O-N 2.9Å
304K82.7Confident75.8Confident186 Ų186111.6 Ų111.681%0.80957%0.569SS**  trans-81.3106.3179.7-68.2-177.7-177.8176.70109L258 P302L258-K304 WeakPolarHBondContact CD2-O 3.48Å; P302-K304 PolarHBondContact O-N 3.21Å; P302-K304 VanDerWaalsContact O-N 3.11Å
305W87.1Confident77Confident71 Ų71107.1 Ų107.127%0.26953%0.532SS..PPolyproline II helixtrans-86.2130.4175.2-67.984.6000110.5S256 L257 L258 E303 V372 R374S256-W305 WeakPolarHBondContact O-CZ3 3.3Å; S256-W305 VanDerWaalsContact OG-CE3 3.3Å; S256-W305 WeakPolarHBondContact OG-CZ3 3.47Å; L257-W305 WeakPolarHBondContact O-CA 3.28Å; L258-W305 HydrophobicContact CD1-CD2 4.45Å; L258-W305 HydrophobicContact CD1-CH2 3.71Å; L258-W305 HydrophobicContact CD1-CZ2 3.48Å; L258-W305 VanDerWaalsContact CD1-CZ2 3.48Å; L258-W305 HydrophobicContact CD1-CZ3 4.27Å; L258-W305 HydrophobicContact CD2-CD2 3.65Å; L258-W305 HydrophobicContact CD2-CE3 4.08Å; L258-W305 HydrophobicContact CD2-CG 3.91Å; L258-W305 HydrophobicContact CD2-CZ2 4.16Å; L258-W305 HydrophobicContact CG-CD2 3.84Å; L258-W305 HydrophobicContact CG-CE3 3.82Å; L258-W305 HydrophobicContact CG-CH2 3.75Å; L258-W305 HydrophobicContact CG-CZ2 3.74Å; L258-W305 HydrophobicContact CG-CZ3 3.78Å; E303-W305 PolarHBondContact O-N 2.9Å; W305-V372 HydrophobicContact CH2-CB 4.46Å; W305-V372 HydrophobicContact CH2-CG1 3.94Å; W305-R374 HydrophobicContact CH2-CG 3.77Å; W305-R374 HydrophobicContact CZ3-CB 4.49Å; W305-R374 HydrophobicContact CZ3-CG 3.78Å
306E89.6Confident78.6Confident127 Ų12799 Ų9959%0.59349%0.494SS*.EExtended strand (participates in β ladder)trans-102.5119.9170.3-67.7-177.7-177.200109.1S256 L257S256-E306 CarbonylContact C-O 3.47Å; S256-E306 WeakPolarHBondContact CA-O 3.37Å; L257-E306 PolarHBondContact N-O 2.97Å; L257-E306 PolarHBondContact O-N 2.85Å
307E90.4Very high80.3Confident171 Ų17193.4 Ų93.480%0.79946%0.457SS*.EExtended strand (participates in β ladder)trans-91.3130.7177.3-68.4-176.6179.700110.8
308Q88.5Confident82.2Confident61 Ų6186 Ų8629%0.28542%0.418SS..EExtended strand (participates in β ladder)trans-128.1132.2172.9-67.1-16914.200110.2V255 L257V255-Q308 PolarHBondContact N-O 3.43Å; V255-Q308 PolarHBondContact O-N 3.21Å; L257-Q308 HydrophobicContact CD1-CG 4.37Å
309Q89.4Confident84Confident178 Ų17877.4 Ų77.483%0.83238%0.381SS*.EExtended strand (participates in β ladder)trans-96.7124.1170.8-67.9-173.9-12.200109.1
310L88.7Confident85.8Confident16 Ų1672.9 Ų72.98%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-119.6124.6-176.3-61.4177.8000109.5V253 V255 T312 L315 A337 L368V253-L310 PolarHBondContact N-O 3.41Å; V253-L310 PolarHBondContact O-N 3.49Å; V255-L310 HydrophobicContact CG2-CD1 3.92Å; L310-T312 HydrophobicContact CB-CG2 3.78Å; L310-L315 HydrophobicContact CD1-CD1 4.49Å; L310-A337 HydrophobicContact CD1-CB 3.95Å; L310-L368 HydrophobicContact CD1-CD1 4.39Å
311N89.2Confident87.3Confident90 Ų9064.7 Ų64.748%0.48131%0.311SS..EExtended strand (participates in β ladder)trans-99.8105.9171.4177.1-69.6000108.2V250 D252V250-N311 VanDerWaalsContact CG1-ND2 3.31Å; V250-N311 WeakPolarHBondContact CG1-ND2 3.39Å; V250-N311 WeakPolarHBondContact CG1-OD1 3.28Å; D252-N311 WeakPolarHBondContact OD1-CB 3.41Å; D252-N311 PolarHBondContact OD1-ND2 3.01Å
312T89Confident88.5Confident3 Ų362.1 Ų62.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-138148.3-164.465.60000113.2H251 L310 A337 E338H251-T312 PolarHBondContact N-O 3.48Å; H251-T312 PolarHBondContact O-N 3.17Å; L310-T312 HydrophobicContact CB-CG2 3.78Å; T312-A337 HydrophobicContact CG2-CB 3.39Å; T312-E338 CarbonylContact C-O 3.58Å; T312-E338 VanDerWaalsContact CA-O 3.29Å; T312-E338 WeakPolarHBondContact CA-O 3.4Å; T312-E338 WeakPolarHBondContact CB-O 3.25Å
313A89.8Confident89.6Confident6 Ų657.7 Ų57.75%0.0527%0.268CS..EExtended strand (participates in β ladder)trans-82-32.7171.200000111.8G215 A216 L249 E338G215-A313 CarbonylContact C-O 3.54Å; G215-A313 WeakPolarHBondContact CA-O 3.32Å; A216-A313 PolarHBondContact N-O 3.12Å; L249-A313 WeakPolarHBondContact O-CA 3.2Å; A313-E338 PolarHBondContact N-O 3.49Å
314E91.8Very high90.1Very high0 Ų053.9 Ų53.90%025%0.251CS..EExtended strand (participates in β ladder)trans-149.5135.6174.2176.9-177.3-141.500110R213 W214 F217 E338 K354R213-E314 IonicContact CZ-OE1 3.95Å; R213-E314 VanDerWaalsContact CZ-OE1 3.28Å; R213-E314 IonicContact NE-OE1 3.43Å; R213-E314 PolarHBondContact NE-OE1 2.92Å; R213-E314 IonicContact NH2-OE1 2.89Å; R213-E314 PolarHBondContact NH2-OE1 3.33Å; W214-E314 CarbonylContact O-C 3.57Å; W214-E314 VanDerWaalsContact O-CA 3.27Å; W214-E314 WeakPolarHBondContact O-CA 3.43Å; W214-E314 WeakPolarHBondContact O-CG 3.47Å; F217-E314 HydrophobicContact CD2-CB 3.71Å; F217-E314 HydrophobicContact CD2-CG 4.44Å; F217-E314 WeakPolarHBondContact CD2-OE2 3.46Å; E314-E338 HydrophobicContact CB-CB 4.32Å; E314-E338 PolarHBondContact O-N 3.3Å; E314-K354 VanDerWaalsContact OE2-CD 3.32Å; E314-K354 WeakPolarHBondContact OE2-CD 3.17Å; E314-K354 VanDerWaalsContact OE2-CE 3.24Å; E314-K354 WeakPolarHBondContact OE2-CE 3.5Å; E314-K354 IonicContact OE2-NZ 3.31Å; E314-K354 PolarHBondContact OE2-NZ 3.47Å
315L93.3Very high90.2Very high1 Ų146.1 Ų46.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-109.2134.1171-179.168.9000108.7R213 W214 V253 L310 I335 A337 L375R213-L315 WeakPolarHBondContact CA-O 3.24Å; W214-L315 HydrophobicContact CE3-CB 4.43Å; W214-L315 PolarHBondContact N-O 3.23Å; W214-L315 PolarHBondContact O-N 3.37Å; V253-L315 HydrophobicContact CG1-CD2 4.28Å; L310-L315 HydrophobicContact CD1-CD1 4.49Å; L315-I335 HydrophobicContact CD1-CG2 3.7Å; L315-A337 HydrophobicContact CD1-CB 4.12Å; L315-L375 HydrophobicContact CD2-CD1 4.12Å; L315-L375 HydrophobicContact CD2-CD2 3.7Å
316Y94.2Very high90.1Very high8 Ų845.7 Ų45.73%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-135.4117174.5-174.8-147.1000110.8I210 L212 R213 Q318 C336 T359 F361I210-Y316 WeakPolarHBondContact CG2-OH 3.43Å; L212-Y316 WeakPolarHBondContact O-CA 3.31Å; L212-Y316 WeakPolarHBondContact O-CD2 3.33Å; R213-Y316 HydrophobicContact CB-CD2 4.18Å; R213-Y316 HydrophobicContact CG-CD2 3.05Å; R213-Y316 HydrophobicContact CG-CE2 3.25Å; R213-Y316 HydrophobicContact CG-CG 3.84Å; Y316-Q318 HydrophobicContact CD1-CB 4.06Å; Y316-Q318 HydrophobicContact CD1-CG 4.17Å; Y316-Q318 HydrophobicContact CD2-CB 4.43Å; Y316-Q318 HydrophobicContact CE1-CB 3.73Å; Y316-Q318 HydrophobicContact CE1-CG 4.09Å; Y316-Q318 HydrophobicContact CE2-CB 4.11Å; Y316-Q318 HydrophobicContact CG-CB 4.46Å; Y316-C336 PolarHBondContact N-O 3.47Å; Y316-C336 PolarHBondContact O-N 3.09Å; Y316-T359 HydrophobicContact CE1-CG2 4.18Å; Y316-F361 VanDerWaalsContact CB-CZ 3.42Å; Y316-F361 AromaticContact CD1-CE2 3.63Å; Y316-F361 HydrophobicContact CD1-CE2 3.63Å; Y316-F361 AromaticContact CD1-CZ 3.78Å; Y316-F361 HydrophobicContact CD1-CZ 3.78Å; Y316-F361 HydrophobicContact CG-CE2 4.38Å; Y316-F361 HydrophobicContact CG-CZ 4.07Å
317I95.1Very high89.7Confident0 Ų049.3 Ų49.30%023%0.231CC..EExtended strand (participates in β ladder)trans-98.6116.1171.2-56-178000106.9G211 L212 L333 M334 I335 L375 V399G211-I317 CarbonylContact C-O 3.57Å; G211-I317 WeakPolarHBondContact CA-O 3.21Å; L212-I317 PolarHBondContact N-O 3.24Å; L212-I317 PolarHBondContact O-N 3.2Å; I317-L333 HydrophobicContact CG2-CD1 3.96Å; I317-L333 HydrophobicContact CG2-CD2 4.23Å; I317-L333 HydrophobicContact CG2-CG 4.49Å; I317-M334 WeakPolarHBondContact CA-O 3.36Å; I317-I335 HydrophobicContact CG1-CG1 4.24Å; I317-I335 HydrophobicContact CG1-CG2 4.33Å; I317-I335 HydrophobicContact CG2-CG1 4.37Å; I317-L375 HydrophobicContact CD1-CD1 3.58Å; I317-L375 HydrophobicContact CD1-CD2 3.99Å; I317-L375 HydrophobicContact CD1-CG 3.87Å; I317-V399 HydrophobicContact CD1-CB 4.48Å; I317-V399 HydrophobicContact CD1-CG2 4.07Å; I317-V399 HydrophobicContact CG2-CG1 4.07Å
318Q94.1Very high89.4Confident14 Ų1443 Ų437%0.06520%0.199CC..EExtended strand (participates in β ladder)trans-129.2154.7-176.465-177.7-21.600112.8I210 Y316 M334I210-Q318 CarbonylContact O-C 3.58Å; I210-Q318 WeakPolarHBondContact O-CA 3.39Å; I210-Q318 WeakPolarHBondContact O-CB 3.45Å; Y316-Q318 HydrophobicContact CD1-CB 4.06Å; Y316-Q318 HydrophobicContact CD1-CG 4.17Å; Y316-Q318 HydrophobicContact CD2-CB 4.43Å; Y316-Q318 HydrophobicContact CE1-CB 3.73Å; Y316-Q318 HydrophobicContact CE1-CG 4.09Å; Y316-Q318 HydrophobicContact CE2-CB 4.11Å; Y316-Q318 HydrophobicContact CG-CB 4.46Å; Q318-M334 HydrophobicContact CG-CB 4.09Å; Q318-M334 HydrophobicContact CG-CE 3.95Å; Q318-M334 HydrophobicContact CG-SD 4.21Å; Q318-M334 PolarHBondContact N-O 2.93Å; Q318-M334 PolarHBondContact NE2-SD 3.34Å; Q318-M334 PolarHBondContact O-N 3.35Å
319T93.6Very high89.3Confident6 Ų647 Ų474%0.03722%0.222CC..  trans-77.9168163.964.20000109.9L196 L209 I210 N321 L401L196-T319 HydrophobicContact CD1-CG2 3.72Å; L196-T319 HydrophobicContact CD2-CG2 3.9Å; L196-T319 HydrophobicContact CG-CG2 3.43Å; L196-T319 VanDerWaalsContact CG-CG2 3.43Å; L209-T319 VanDerWaalsContact O-CG2 3.24Å; L209-T319 WeakPolarHBondContact O-CG2 3.47Å; L209-T319 PolarHBondContact O-OG1 3.24Å; I210-T319 PolarHBondContact O-N 3.31Å; I210-T319 PolarHBondContact O-OG1 3.37Å; T319-N321 PolarHBondContact O-N 2.86Å; T319-N321 VanDerWaalsContact OG1-CB 3.26Å; T319-N321 WeakPolarHBondContact OG1-CB 3.17Å; T319-N321 VanDerWaalsContact OG1-CG 3.23Å; T319-N321 PolarHBondContact OG1-N 3.18Å; T319-N321 PolarHBondContact OG1-ND2 2.94Å; T319-N321 VanDerWaalsContact OG1-ND2 3.1Å; T319-L401 HydrophobicContact CG2-CD1 4.21Å
320H90.6Very high89.2Confident30 Ų3041.2 Ų41.214%0.13920%0.196CC..SBendtrans-90.823.2169.2-61.5-99.5000111.9K322 N323 R328 S332H320-K322 PolarHBondContact O-N 3.18Å; H320-N323 CarbonylContact O-C 3.59Å; H320-N323 PolarHBondContact O-N 2.91Å; H320-R328 PolarHBondContact O-NH2 3.32Å; H320-S332 PolarHBondContact CD2-O 2.95Å; H320-S332 PolarHBondContact NE2-O 3.09Å
321N90.8Very high89.3Confident6 Ų640.9 Ų40.93%0.03220%0.195CC..THydrogen-bonded Turntrans-67.6-1.5-178.6-70.2-24.2000113.6L163 S166 V193 D194 L209 T319 N323 P324L163-N321 HydrophobicContact CD1-CB 4.47Å; S166-N321 WeakPolarHBondContact CB-O 3.43Å; S166-N321 PolarHBondContact OG-O 3.35Å; S166-N321 VanDerWaalsContact OG-O 3.07Å; V193-N321 HydrophobicContact CG1-CB 4.36Å; V193-N321 VanDerWaalsContact CG1-ND2 3.27Å; V193-N321 WeakPolarHBondContact CG1-ND2 3.47Å; D194-N321 PolarHBondContact N-OD1 3.32Å; D194-N321 PolarHBondContact O-ND2 3.09Å; L209-N321 PolarHBondContact O-ND2 3.42Å; T319-N321 PolarHBondContact O-N 2.86Å; T319-N321 VanDerWaalsContact OG1-CB 3.26Å; T319-N321 WeakPolarHBondContact OG1-CB 3.17Å; T319-N321 VanDerWaalsContact OG1-CG 3.23Å; T319-N321 PolarHBondContact OG1-N 3.18Å; T319-N321 PolarHBondContact OG1-ND2 2.94Å; T319-N321 VanDerWaalsContact OG1-ND2 3.1Å; N321-N323 PolarHBondContact O-N 3.13Å; N321-P324 WeakPolarHBondContact O-CD 3.45Å
322K87.4Confident89.4Confident119 Ų11936.8 Ų36.852%0.51717%0.173SC..THydrogen-bonded Turntrans-56.7-40.9169.4-164.7170.6-171.3168.80110.9S166 H320 D357 T359S166-K322 WeakPolarHBondContact CB-O 3.44Å; S166-K322 VanDerWaalsContact OG-CA 3.28Å; S166-K322 WeakPolarHBondContact OG-CA 3.22Å; S166-K322 PolarHBondContact OG-O 2.8Å; H320-K322 PolarHBondContact O-N 3.18Å; K322-D357 IonicContact NZ-OD2 3.97Å; K322-D357 PolarHBondContact NZ-OD2 3.4Å; K322-T359 PolarHBondContact NZ-OG1 2.97Å
323N89.6Confident89.7Confident22 Ų2236.6 Ų36.612%0.11817%0.172CC..SBendtrans-125.389.6169.8-172-12.7000109.9H320 N321 A325 E326 R328 L418H320-N323 CarbonylContact O-C 3.59Å; H320-N323 PolarHBondContact O-N 2.91Å; N321-N323 PolarHBondContact O-N 3.13Å; N323-A325 VanDerWaalsContact C-N 3.26Å; N323-A325 PolarHBondContact O-N 3.49Å; N323-A325 PolarHBondContact OD1-N 3.14Å; N323-E326 HydrophobicContact CB-CB 4.26Å; N323-E326 PolarHBondContact OD1-N 2.91Å; N323-R328 PolarHBondContact O-NH2 2.94Å; N323-L418 HydrophobicContact CB-CD2 4.15Å; N323-L418 PolarHBondContact ND2-O 2.79Å; N323-L418 WeakPolarHBondContact OD1-CB 3.45Å
324P86.7Confident89.8Confident16 Ų1638.1 Ų38.110%0.10418%0.179CC..THydrogen-bonded Turntrans-75.3-14.7-179.831.7-35.4000113.1V191 V193 N321V191-P324 HydrophobicContact CG1-CB 4.28Å; V191-P324 HydrophobicContact CG1-CG 4.13Å; V191-P324 HydrophobicContact CG2-CB 3.87Å; V191-P324 HydrophobicContact CG2-CG 4.15Å; V193-P324 HydrophobicContact CG2-CB 4.48Å; N321-P324 WeakPolarHBondContact O-CD 3.45Å
325A85.4Confident90Very high23 Ų2338.1 Ų38.119%0.1918%0.179CC..THydrogen-bonded Turntrans-84.8-12.9179.900000113.1N323 L418 I419N323-A325 VanDerWaalsContact C-N 3.26Å; N323-A325 PolarHBondContact O-N 3.49Å; N323-A325 PolarHBondContact OD1-N 3.14Å; A325-L418 HydrophobicContact CB-CB 4.09Å; A325-I419 HydrophobicContact CB-CG1 3.93Å
326E85.6Confident90Very high63 Ų6338.1 Ų38.129%0.29418%0.179SC..  trans-66.5129.4-178.7-169.5-171.7-172.700112.4R263 N323 R328R263-E326 PolarHBondContact NH1-O 2.88Å; N323-E326 HydrophobicContact CB-CB 4.26Å; N323-E326 PolarHBondContact OD1-N 2.91Å; E326-R328 HydrophobicContact CG-CG 4.16Å; E326-R328 IonicContact OE2-CZ 3.36Å; E326-R328 IonicContact OE2-NE 3.04Å; E326-R328 PolarHBondContact OE2-NE 3.18Å; E326-R328 VanDerWaalsContact OE2-NE 3.1Å; E326-R328 IonicContact OE2-NH2 2.67Å
327R81.3Confident89.9Confident203 Ų20337.8 Ų37.877%0.76618%0.177SC*.  trans-85.9114.3172.8-69.2-174.8177.7-178.3-0.7109.8
328R82.8Confident89.8Confident37 Ų3737.8 Ų37.814%0.1418%0.177CC..  trans-109.8156.5178.8-52.6-173.4-147.5106.713.2110.8D194 R263 H320 N323 E326D194-R328 IonicContact OD2-NH1 3.1Å; R263-R328 WeakPolarHBondContact CD-O 3.41Å; H320-R328 PolarHBondContact O-NH2 3.32Å; N323-R328 PolarHBondContact O-NH2 2.94Å; E326-R328 HydrophobicContact CG-CG 4.16Å; E326-R328 IonicContact OE2-CZ 3.36Å; E326-R328 IonicContact OE2-NE 3.04Å; E326-R328 PolarHBondContact OE2-NE 3.18Å; E326-R328 VanDerWaalsContact OE2-NE 3.1Å; E326-R328 IonicContact OE2-NH2 2.67Å
329I86.1Confident89.5Confident147 Ų14738.8 Ų38.875%0.75419%0.185SC*.SBendtrans-75.9-38.9178.1-59172.6000110.3R263R263-I329 VanDerWaalsContact CB-O 3.29Å; R263-I329 WeakPolarHBondContact CB-O 3.37Å; R263-I329 PolarHBondContact N-O 3.37Å
330N88.8Confident89Confident55 Ų5539.3 Ų39.329%0.29419%0.192SC..EExtended strand (participates in β ladder)trans-117.2149-176.7-61.4-31000111.3P260 R261P260-N330 HydrophobicContact CB-CB 3.9Å; R261-N330 CarbonylContact O-C 3.5Å; R261-N330 VanDerWaalsContact O-CA 3.31Å; R261-N330 WeakPolarHBondContact O-CA 3.36Å
331D89.8Confident88.7Confident10 Ų1045.6 Ų45.65%0.05323%0.226CC..EExtended strand (participates in β ladder)trans-92.199.5165.3-70.9-22.1000107.6R261 R263 L401 P403 R404R261-D331 PolarHBondContact O-N 2.88Å; R263-D331 IonicContact CZ-OD1 3.78Å; R263-D331 IonicContact NE-OD1 3.21Å; R263-D331 PolarHBondContact NE-OD1 3.17Å; R263-D331 IonicContact NH2-OD1 2.73Å; R263-D331 PolarHBondContact NH2-OD1 3.4Å; D331-L401 HydrophobicContact CB-CD2 4.3Å; D331-P403 HydrophobicContact CB-CB 3.91Å; D331-P403 HydrophobicContact CB-CG 4.22Å; D331-P403 WeakPolarHBondContact OD2-CB 3.23Å; D331-R404 IonicContact OD2-NH2 2.87Å; D331-R404 PolarHBondContact OD2-NH2 3.09Å
332S92.4Very high88.4Confident3 Ų346.5 Ų46.52%0.02123%0.23CC..  trans-131.5154.1-17946.50000112.1H320 E369 A370 L401H320-S332 PolarHBondContact CD2-O 2.95Å; H320-S332 PolarHBondContact NE2-O 3.09Å; S332-E369 PolarHBondContact OG-OE2 2.91Å; S332-A370 CarbonylContact C-O 3.57Å; S332-A370 VanDerWaalsContact CA-O 3.25Å; S332-A370 WeakPolarHBondContact CA-O 3.47Å; S332-A370 WeakPolarHBondContact CB-O 3.5Å; S332-L401 WeakPolarHBondContact O-CD2 3.32Å
333L93.6Very high88.5Confident0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-94.7152.7160.159.574.6000108.8L196 I317 I335 E369 A370 C373 V399 L401L196-L333 HydrophobicContact CD2-CB 3.94Å; L196-L333 HydrophobicContact CD2-CD2 3.9Å; I317-L333 HydrophobicContact CG2-CD1 3.96Å; I317-L333 HydrophobicContact CG2-CD2 4.23Å; I317-L333 HydrophobicContact CG2-CG 4.49Å; L333-I335 HydrophobicContact CD1-CD1 3.83Å; L333-I335 HydrophobicContact CD1-CG1 3.52Å; L333-E369 WeakPolarHBondContact O-CA 3.38Å; L333-A370 HydrophobicContact CD1-CB 4.07Å; L333-A370 WeakPolarHBondContact CG-O 3.33Å; L333-A370 PolarHBondContact N-O 2.83Å; L333-A370 PolarHBondContact O-N 3.41Å; L333-A370 VanDerWaalsContact O-N 3.08Å; L333-C373 HydrophobicContact CD1-CB 4.33Å; L333-V399 HydrophobicContact CD2-CG1 4.06Å; L333-L401 HydrophobicContact CB-CD1 4.33Å; L333-L401 HydrophobicContact CD2-CB 4.48Å
334M93.6Very high88.5Confident38 Ų3846.1 Ų46.119%0.18724%0.239CC..EExtended strand (participates in β ladder)trans-108126.7-179.3-166.9-139.4-50.500109.6I317 Q318 C336I317-M334 WeakPolarHBondContact CA-O 3.36Å; Q318-M334 HydrophobicContact CG-CB 4.09Å; Q318-M334 HydrophobicContact CG-CE 3.95Å; Q318-M334 HydrophobicContact CG-SD 4.21Å; Q318-M334 PolarHBondContact N-O 2.93Å; Q318-M334 PolarHBondContact NE2-SD 3.34Å; Q318-M334 PolarHBondContact O-N 3.35Å; M334-C336 PolarHBondContact SD-SG 3.23Å
335I94.3Very high88.7Confident0 Ų047.8 Ų47.80%026%0.258CS..EExtended strand (participates in β ladder)trans-108.4114.8177.1-54.3170.1000107.3V255 L257 L315 I317 L333 K367 L368 A370 C373V255-I335 HydrophobicContact CG1-CD1 4.3Å; L257-I335 HydrophobicContact CD2-CD1 3.18Å; L315-I335 HydrophobicContact CD1-CG2 3.7Å; I317-I335 HydrophobicContact CG1-CG1 4.24Å; I317-I335 HydrophobicContact CG1-CG2 4.33Å; I317-I335 HydrophobicContact CG2-CG1 4.37Å; L333-I335 HydrophobicContact CD1-CD1 3.83Å; L333-I335 HydrophobicContact CD1-CG1 3.52Å; I335-K367 CarbonylContact O-C 3.49Å; I335-K367 WeakPolarHBondContact O-CA 3.3Å; I335-L368 HydrophobicContact CB-CB 4.31Å; I335-L368 PolarHBondContact N-O 3.13Å; I335-L368 PolarHBondContact O-N 3.1Å; I335-A370 HydrophobicContact CD1-CB 4.33Å; I335-C373 HydrophobicContact CD1-CB 3.85Å
336C93.8Very high89Confident1 Ų151.3 Ų51.31%0.00727%0.271CS..EExtended strand (participates in β ladder)trans-107125.6175.4-73.80000109.9Y316 M334 F361 T366Y316-C336 PolarHBondContact N-O 3.47Å; Y316-C336 PolarHBondContact O-N 3.09Å; M334-C336 PolarHBondContact SD-SG 3.23Å; C336-F361 HydrophobicContact CB-CD1 3.61Å; C336-F361 HydrophobicContact CB-CD2 3.74Å; C336-F361 HydrophobicContact CB-CE1 3.47Å; C336-F361 VanDerWaalsContact CB-CE1 3.47Å; C336-F361 HydrophobicContact CB-CE2 3.66Å; C336-F361 HydrophobicContact CB-CG 3.78Å; C336-F361 HydrophobicContact CB-CZ 3.54Å; C336-T366 WeakPolarHBondContact CA-O 3.22Å
337A92.8Very high89.2Confident1 Ų148.5 Ų48.51%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-121.2118.2177.100000109.4L310 T312 L315 S365 T366L310-A337 HydrophobicContact CD1-CB 3.95Å; T312-A337 HydrophobicContact CG2-CB 3.39Å; L315-A337 HydrophobicContact CD1-CB 4.12Å; A337-S365 WeakPolarHBondContact O-CA 3.2Å; A337-S365 WeakPolarHBondContact O-CB 3.35Å; A337-T366 WeakPolarHBondContact CB-OG1 3.35Å; A337-T366 PolarHBondContact N-O 3.37Å; A337-T366 PolarHBondContact O-N 2.73Å; A337-T366 PolarHBondContact O-OG1 3.09Å
338E92.3Very high89.7Confident0 Ų040.3 Ų40.30%023%0.229CC..EExtended strand (participates in β ladder)trans-84.9128-179.4-167.170.9-151.100109.3F217 T312 A313 E314 K342 K354 F361 T362F217-E338 HydrophobicContact CE2-CG 4.16Å; T312-E338 CarbonylContact C-O 3.58Å; T312-E338 VanDerWaalsContact CA-O 3.29Å; T312-E338 WeakPolarHBondContact CA-O 3.4Å; T312-E338 WeakPolarHBondContact CB-O 3.25Å; A313-E338 PolarHBondContact N-O 3.49Å; E314-E338 HydrophobicContact CB-CB 4.32Å; E314-E338 PolarHBondContact O-N 3.3Å; E338-K342 VanDerWaalsContact CG-CE 3.43Å; E338-K342 WeakPolarHBondContact OE1-CE 3.44Å; E338-K342 IonicContact OE1-NZ 2.83Å; E338-K342 PolarHBondContact OE1-NZ 3.29Å; E338-K354 IonicContact OE2-NZ 3.66Å; E338-F361 HydrophobicContact CB-CD1 4.14Å; E338-F361 HydrophobicContact CB-CE1 4.24Å; E338-F361 WeakPolarHBondContact OE2-CA 3.5Å; E338-F361 WeakPolarHBondContact OE2-CD1 3.48Å; E338-T362 VanDerWaalsContact OE1-CB 3.31Å; E338-T362 WeakPolarHBondContact OE1-CB 3.48Å; E338-T362 WeakPolarHBondContact OE1-CG2 3.47Å; E338-T362 PolarHBondContact OE1-N 3.17Å; E338-T362 PolarHBondContact OE1-OG1 2.77Å; E338-T362 PolarHBondContact OE2-N 2.82Å
339P89.1Confident90.2Very high35 Ų3541.1 Ų41.123%0.22724%0.24CC..EExtended strand (participates in β ladder)trans-65.9143.6-173.326.2-35.1000111.7N341 N364P339-N341 VanDerWaalsContact C-N 3.33Å; P339-N341 PolarHBondContact O-N 3.1Å; P339-N364 HydrophobicContact CG-CB 4.29Å
340G81.9Confident90.4Very high17 Ų1735 Ų3518%0.17521%0.21CC..SBendtrans-72.5-19.1178.700000115.2K342G340-K342 VanDerWaalsContact C-N 3.34Å; G340-K342 PolarHBondContact O-N 2.86Å
341N84.6Confident90.5Very high161 Ų16132.4 Ų32.486%0.86120%0.196SC*.  trans-83.273.1-177.7-169.29.6000111.7P339P339-N341 VanDerWaalsContact C-N 3.33Å; P339-N341 PolarHBondContact O-N 3.1Å
342K83.4Confident90.6Very high25 Ų2533.8 Ų33.811%0.10920%0.203CC..  trans-123.4146.8175.5-65.5-174.5-173.1-64.90110.6W247 E338 G340 E346 T362W247-K342 VanDerWaalsContact CH2-O 3.27Å; W247-K342 WeakPolarHBondContact CH2-O 3.29Å; W247-K342 WeakPolarHBondContact CZ2-O 3.19Å; E338-K342 VanDerWaalsContact CG-CE 3.43Å; E338-K342 WeakPolarHBondContact OE1-CE 3.44Å; E338-K342 IonicContact OE1-NZ 2.83Å; E338-K342 PolarHBondContact OE1-NZ 3.29Å; G340-K342 VanDerWaalsContact C-N 3.34Å; G340-K342 PolarHBondContact O-N 2.86Å; K342-E346 HydrophobicContact CB-CB 4.47Å; K342-T362 PolarHBondContact NZ-OG1 3.17Å
343T90.5Very high90.5Very high81 Ų8140.1 Ų40.150%0.49723%0.23SC..  trans-74.1160.1168.263.70000111.1G345 E346 F347T343-G345 VanDerWaalsContact C-N 3.27Å; T343-G345 PolarHBondContact O-N 3.28Å; T343-E346 PolarHBondContact N-OE2 3.03Å; T343-E346 PolarHBondContact O-N 2.97Å; T343-E346 WeakPolarHBondContact OG1-CB 3.39Å; T343-E346 WeakPolarHBondContact OG1-CG 3.45Å; T343-E346 PolarHBondContact OG1-N 3.48Å; T343-E346 PolarHBondContact OG1-OE2 3.1Å; T343-F347 WeakPolarHBondContact O-CB 3.37Å; T343-F347 PolarHBondContact O-N 2.93Å
344V90Very high90.3Very high53 Ų5340.3 Ų40.332%0.32123%0.231SC..Hα-helixtrans-57.8-41176.4173.70000111.6T243 W247 F347 I348T243-V344 HydrophobicContact CG2-CG1 4.16Å; W247-V344 HydrophobicContact CD2-CG2 4.11Å; W247-V344 HydrophobicContact CE3-CG2 4.18Å; W247-V344 HydrophobicContact CH2-CG2 3.97Å; W247-V344 HydrophobicContact CZ2-CG2 3.88Å; W247-V344 HydrophobicContact CZ3-CG2 4.12Å; V344-F347 PolarHBondContact O-N 3.32Å; V344-I348 HydrophobicContact CG1-CD1 4.03Å; V344-I348 WeakPolarHBondContact O-CG1 3.3Å; V344-I348 PolarHBondContact O-N 2.73Å
345G91.1Very high90Very high50 Ų5041.6 Ų41.652%0.51524%0.241SC..Hα-helixtrans-63.1-44.9177.600000112.4T343 I348 S349T343-G345 VanDerWaalsContact C-N 3.27Å; T343-G345 PolarHBondContact O-N 3.28Å; G345-I348 PolarHBondContact O-N 2.83Å; G345-S349 WeakPolarHBondContact O-CB 3.36Å; G345-S349 PolarHBondContact O-N 3.09Å
346E90.5Very high89.5Confident97 Ų9750.7 Ų50.745%0.45328%0.28SS..Hα-helixtrans-63.1-44175.1-73.3165.3163.300111.6K342 T343 I348 S349 V350K342-E346 HydrophobicContact CB-CB 4.47Å; T343-E346 PolarHBondContact N-OE2 3.03Å; T343-E346 PolarHBondContact O-N 2.97Å; T343-E346 WeakPolarHBondContact OG1-CB 3.39Å; T343-E346 WeakPolarHBondContact OG1-CG 3.45Å; T343-E346 PolarHBondContact OG1-N 3.48Å; T343-E346 PolarHBondContact OG1-OE2 3.1Å; E346-I348 PolarHBondContact O-N 2.92Å; E346-S349 WeakPolarHBondContact CA-OG 3.36Å; E346-S349 PolarHBondContact O-N 3.28Å; E346-S349 VanDerWaalsContact O-N 3.17Å; E346-S349 PolarHBondContact O-OG 3.18Å; E346-V350 WeakPolarHBondContact O-CB 3.42Å; E346-V350 VanDerWaalsContact O-CG2 3.3Å; E346-V350 WeakPolarHBondContact O-CG2 3.41Å; E346-V350 PolarHBondContact O-N 2.69Å
347F91.3Very high89.1Confident4 Ų452.9 Ų52.92%0.01829%0.292CS..Hα-helixtrans-55.8-48.1176.6177.5-98.3000111.7A216 F217 V220 H239 T243 W247 L249 T343 V344 S349 G351A216-F347 HydrophobicContact CB-CE2 4.11Å; A216-F347 HydrophobicContact CB-CZ 4.21Å; F217-F347 HydrophobicContact CD1-CD2 4.27Å; F217-F347 AromaticContact CD1-CE2 3.72Å; F217-F347 HydrophobicContact CD1-CE2 3.72Å; F217-F347 HydrophobicContact CD1-CZ 4.07Å; F217-F347 HydrophobicContact CD2-CE2 4.38Å; F217-F347 AromaticContact CE1-CD2 3.42Å; F217-F347 HydrophobicContact CE1-CD2 3.42Å; F217-F347 VanDerWaalsContact CE1-CD2 3.42Å; F217-F347 AromaticContact CE1-CE2 3.33Å; F217-F347 HydrophobicContact CE1-CE2 3.33Å; F217-F347 HydrophobicContact CE1-CG 4.1Å; F217-F347 AromaticContact CE1-CZ 3.96Å; F217-F347 HydrophobicContact CE1-CZ 3.96Å; F217-F347 WeakPolarHBondContact CE1-O 3.08Å; F217-F347 HydrophobicContact CE2-CD2 4.15Å; F217-F347 HydrophobicContact CE2-CE2 4.04Å; F217-F347 HydrophobicContact CG-CE2 4.23Å; F217-F347 AromaticContact CZ-CD2 3.34Å; F217-F347 HydrophobicContact CZ-CD2 3.34Å; F217-F347 AromaticContact CZ-CE2 3.51Å; F217-F347 HydrophobicContact CZ-CE2 3.51Å; F217-F347 HydrophobicContact CZ-CG 4.27Å; V220-F347 HydrophobicContact CG2-CE1 4.41Å; V220-F347 HydrophobicContact CG2-CZ 4.21Å; H239-F347 HydrophobicContact CB-CD1 4.34Å; H239-F347 HydrophobicContact CB-CE1 4.09Å; H239-F347 AromaticContact ND1-CE1 3.62Å; T243-F347 HydrophobicContact CG2-CD1 3.59Å; T243-F347 HydrophobicContact CG2-CE1 3.83Å; T243-F347 HydrophobicContact CG2-CG 4.48Å; W247-F347 HydrophobicContact CH2-CB 4.4Å; W247-F347 HydrophobicContact CZ3-CB 4.37Å; W247-F347 HydrophobicContact CZ3-CG 4.38Å; L249-F347 HydrophobicContact CD1-CE1 4.1Å; L249-F347 HydrophobicContact CD1-CE2 4.19Å; L249-F347 HydrophobicContact CD1-CZ 3.79Å; T343-F347 WeakPolarHBondContact O-CB 3.37Å; T343-F347 PolarHBondContact O-N 2.93Å; V344-F347 PolarHBondContact O-N 3.32Å; F347-S349 PolarHBondContact O-N 3.36Å; F347-G351 PolarHBondContact O-N 2.79Å
348I92.1Very high88.6Confident32 Ų3254.2 Ų54.216%0.16430%0.301CS..Hα-helixtrans-63.8-43.6177.5-63.4164.7000110.8N236 H239 W240 V344 G345 E346 G351 N352N236-I348 HydrophobicContact CB-CG2 4.44Å; H239-I348 HydrophobicContact CB-CB 4.26Å; H239-I348 HydrophobicContact CB-CG1 3.76Å; H239-I348 HydrophobicContact CB-CG2 4.3Å; W240-I348 HydrophobicContact CB-CD1 4.14Å; V344-I348 HydrophobicContact CG1-CD1 4.03Å; V344-I348 WeakPolarHBondContact O-CG1 3.3Å; V344-I348 PolarHBondContact O-N 2.73Å; G345-I348 PolarHBondContact O-N 2.83Å; E346-I348 PolarHBondContact O-N 2.92Å; I348-G351 PolarHBondContact O-N 3.2Å; I348-N352 PolarHBondContact O-N 3.04Å; I348-N352 PolarHBondContact O-ND2 3.49Å; I348-N352 VanDerWaalsContact O-ND2 3.17Å
349S91.6Very high88.1Confident54 Ų5455.7 Ų55.738%0.37831%0.31SS..Hα-helixtrans-64.1-42.9-178.878.90000112.7G345 E346 F347 K353G345-S349 WeakPolarHBondContact O-CB 3.36Å; G345-S349 PolarHBondContact O-N 3.09Å; E346-S349 WeakPolarHBondContact CA-OG 3.36Å; E346-S349 PolarHBondContact O-N 3.28Å; E346-S349 VanDerWaalsContact O-N 3.17Å; E346-S349 PolarHBondContact O-OG 3.18Å; F347-S349 PolarHBondContact O-N 3.36Å; S349-K353 PolarHBondContact O-N 3.04Å
350V91.6Very high88Confident19 Ų1958 Ų5812%0.11532%0.32CS..Hα-helixtrans-70.8-41.5177.5172.20000109.9F217 E346 N352 K353 K354 T362F217-V350 HydrophobicContact CE1-CB 4.5Å; F217-V350 HydrophobicContact CE1-CG1 4.32Å; F217-V350 HydrophobicContact CE2-CG1 4.47Å; F217-V350 HydrophobicContact CZ-CB 4.27Å; F217-V350 HydrophobicContact CZ-CG1 3.91Å; E346-V350 WeakPolarHBondContact O-CB 3.42Å; E346-V350 VanDerWaalsContact O-CG2 3.3Å; E346-V350 WeakPolarHBondContact O-CG2 3.41Å; E346-V350 PolarHBondContact O-N 2.69Å; V350-N352 VanDerWaalsContact C-N 3.34Å; V350-N352 PolarHBondContact O-N 3.3Å; V350-K353 WeakPolarHBondContact O-CB 3.21Å; V350-K353 PolarHBondContact O-N 3.11Å; V350-K354 HydrophobicContact CG1-CD 3.95Å; V350-K354 HydrophobicContact CG1-CG 4.26Å; V350-K354 PolarHBondContact O-N 3.32Å; V350-T362 HydrophobicContact CG2-CG2 4.05Å
351G91Very high88.2Confident0 Ų058.8 Ų58.80%032%0.318CS..Hα-helixtrans-55.7-46.9176.300000112.6H239 F347 I348 K353 K354 V355H239-G351 WeakPolarHBondContact CE1-CA 3.37Å; H239-G351 VanDerWaalsContact NE2-C 3.32Å; H239-G351 WeakPolarHBondContact NE2-CA 3.49Å; F347-G351 PolarHBondContact O-N 2.79Å; I348-G351 PolarHBondContact O-N 3.2Å; G351-K353 VanDerWaalsContact C-N 3.28Å; G351-K353 PolarHBondContact O-N 2.96Å; G351-K354 PolarHBondContact O-N 2.94Å; G351-K354 VanDerWaalsContact O-N 3.14Å; G351-V355 WeakPolarHBondContact O-CG2 3.43Å; G351-V355 PolarHBondContact O-N 3.43Å
352N90.3Very high88.2Confident39 Ų3953 Ų5321%0.20929%0.289CS..Hα-helixtrans-60.6-35.3175.7-75.3-39.3000114T235 N236 I348 V350T235-N352 VanDerWaalsContact CB-OD1 3.28Å; T235-N352 WeakPolarHBondContact CB-OD1 3.31Å; T235-N352 PolarHBondContact OG1-OD1 2.93Å; N236-N352 PolarHBondContact OD1-ND2 3.07Å; N236-N352 PolarHBondContact OD1-OD1 3.45Å; I348-N352 PolarHBondContact O-N 3.04Å; I348-N352 PolarHBondContact O-ND2 3.49Å; I348-N352 VanDerWaalsContact O-ND2 3.17Å; V350-N352 VanDerWaalsContact C-N 3.34Å; V350-N352 PolarHBondContact O-N 3.3Å
353K91.2Very high88.1Confident135 Ų13561 Ų6159%0.58733%0.327SS*.Hα-helixtrans-70.2-44.5174.8-67.1176.7-178.7179.90110.4S349 V350 G351 V355 K356 D357 L360S349-K353 PolarHBondContact O-N 3.04Å; V350-K353 WeakPolarHBondContact O-CB 3.21Å; V350-K353 PolarHBondContact O-N 3.11Å; G351-K353 VanDerWaalsContact C-N 3.28Å; G351-K353 PolarHBondContact O-N 2.96Å; K353-V355 VanDerWaalsContact C-N 3.3Å; K353-V355 PolarHBondContact O-N 3.37Å; K353-K356 PolarHBondContact O-N 2.93Å; K353-D357 PolarHBondContact O-N 3.06Å; K353-L360 HydrophobicContact CB-CD1 4.41Å
354K90.1Very high87.8Confident5 Ų563.7 Ų63.72%0.02234%0.338CS..Hα-helixtrans-64.3-27.8178.6-78.6-179.4175.1-880114.1F217 E314 E338 V350 G351 K356 D357 P358 L360F217-K354 HydrophobicContact CB-CD 4.3Å; F217-K354 HydrophobicContact CD1-CD 4.17Å; F217-K354 HydrophobicContact CD2-CD 3.82Å; F217-K354 HydrophobicContact CE1-CD 4.48Å; F217-K354 HydrophobicContact CE2-CD 4.18Å; F217-K354 HydrophobicContact CG-CD 3.84Å; F217-K354 HydrophobicContact CZ-CD 4.48Å; E314-K354 VanDerWaalsContact OE2-CD 3.32Å; E314-K354 WeakPolarHBondContact OE2-CD 3.17Å; E314-K354 VanDerWaalsContact OE2-CE 3.24Å; E314-K354 WeakPolarHBondContact OE2-CE 3.5Å; E314-K354 IonicContact OE2-NZ 3.31Å; E314-K354 PolarHBondContact OE2-NZ 3.47Å; E338-K354 IonicContact OE2-NZ 3.66Å; V350-K354 HydrophobicContact CG1-CD 3.95Å; V350-K354 HydrophobicContact CG1-CG 4.26Å; V350-K354 PolarHBondContact O-N 3.32Å; G351-K354 PolarHBondContact O-N 2.94Å; G351-K354 VanDerWaalsContact O-N 3.14Å; K354-K356 VanDerWaalsContact C-N 3.27Å; K354-K356 PolarHBondContact O-N 3.41Å; K354-D357 WeakPolarHBondContact CA-O 3.14Å; K354-D357 CarbonylContact O-C 3.34Å; K354-P358 VanDerWaalsContact O-CA 3.26Å; K354-P358 WeakPolarHBondContact O-CA 3.42Å; K354-L360 VanDerWaalsContact CE-O 3.24Å; K354-L360 WeakPolarHBondContact CE-O 3.14Å; K354-L360 PolarHBondContact NZ-O 2.98Å
355V86.9Confident87.7Confident64 Ų6461.9 Ų61.939%0.38833%0.327SS..Hα-helixtrans-66.9-31.1172.7171.50000111.6I224 T235 G351 K353I224-V355 HydrophobicContact CD1-CG1 4.27Å; I224-V355 HydrophobicContact CD1-CG2 3.4Å; I224-V355 VanDerWaalsContact CD1-CG2 3.4Å; T235-V355 HydrophobicContact CG2-CG1 4.44Å; G351-V355 WeakPolarHBondContact O-CG2 3.43Å; G351-V355 PolarHBondContact O-N 3.43Å; K353-V355 VanDerWaalsContact C-N 3.3Å; K353-V355 PolarHBondContact O-N 3.37Å
356K83.6Confident87.7Confident192 Ų19262.6 Ų62.684%0.83532%0.322SS*.Hα-helixtrans-83.8-46.9177-64.5-177.3179.8-176.90112.1K353 K354K353-K356 PolarHBondContact O-N 2.93Å; K354-K356 VanDerWaalsContact C-N 3.27Å; K354-K356 PolarHBondContact O-N 3.41Å
357D84.5Confident87.8Confident46 Ų4664.4 Ų64.425%0.24633%0.328CS..  trans-132.2104.7174.5-177.2-3.2000109.3K322 K353 K354 T359 L360K322-D357 IonicContact NZ-OD2 3.97Å; K322-D357 PolarHBondContact NZ-OD2 3.4Å; K353-D357 PolarHBondContact O-N 3.06Å; K354-D357 WeakPolarHBondContact CA-O 3.14Å; K354-D357 CarbonylContact O-C 3.34Å; D357-T359 VanDerWaalsContact CG-OG1 3.29Å; D357-T359 PolarHBondContact O-N 3.4Å; D357-T359 WeakPolarHBondContact OD1-CB 3.15Å; D357-T359 PolarHBondContact OD1-N 3.37Å; D357-T359 PolarHBondContact OD1-OG1 3Å; D357-T359 PolarHBondContact OD2-OG1 3.1Å; D357-L360 HydrophobicContact CB-CD1 3.77Å; D357-L360 HydrophobicContact CB-CG 3.83Å; D357-L360 PolarHBondContact O-N 3.03Å
358P83.6Confident87.8Confident30 Ų3065.8 Ų65.820%0.19534%0.336CS..THydrogen-bonded Turntrans-70-16-177.130.3-36000113.1K354 L360K354-P358 VanDerWaalsContact O-CA 3.26Å; K354-P358 WeakPolarHBondContact O-CA 3.42Å; P358-L360 PolarHBondContact O-N 2.95Å
359T82Confident87.9Confident31 Ų3169.3 Ų69.319%0.1935%0.352CS..THydrogen-bonded Turntrans-80.7-4.8-179.968.80000113Y316 K322 D357 F361Y316-T359 HydrophobicContact CE1-CG2 4.18Å; K322-T359 PolarHBondContact NZ-OG1 2.97Å; D357-T359 VanDerWaalsContact CG-OG1 3.29Å; D357-T359 PolarHBondContact O-N 3.4Å; D357-T359 WeakPolarHBondContact OD1-CB 3.15Å; D357-T359 PolarHBondContact OD1-N 3.37Å; D357-T359 PolarHBondContact OD1-OG1 3Å; D357-T359 PolarHBondContact OD2-OG1 3.1Å; T359-F361 VanDerWaalsContact O-CD2 3.3Å; T359-F361 WeakPolarHBondContact O-CD2 3.41Å
360L85.4Confident87.9Confident83 Ų8366.8 Ų66.844%0.43533%0.334SS..  trans-77.1124.3177.8-66175.7000111K353 K354 D357 P358K353-L360 HydrophobicContact CB-CD1 4.41Å; K354-L360 VanDerWaalsContact CE-O 3.24Å; K354-L360 WeakPolarHBondContact CE-O 3.14Å; K354-L360 PolarHBondContact NZ-O 2.98Å; D357-L360 HydrophobicContact CB-CD1 3.77Å; D357-L360 HydrophobicContact CB-CG 3.83Å; D357-L360 PolarHBondContact O-N 3.03Å; P358-L360 PolarHBondContact O-N 2.95Å
361F86.3Confident87.9Confident33 Ų3366.3 Ų66.315%0.14533%0.331CS..  trans-121.9153.9171.7-72.3-97.2000109.6Y316 C336 E338 T359 S365Y316-F361 VanDerWaalsContact CB-CZ 3.42Å; Y316-F361 AromaticContact CD1-CE2 3.63Å; Y316-F361 HydrophobicContact CD1-CE2 3.63Å; Y316-F361 AromaticContact CD1-CZ 3.78Å; Y316-F361 HydrophobicContact CD1-CZ 3.78Å; Y316-F361 HydrophobicContact CG-CE2 4.38Å; Y316-F361 HydrophobicContact CG-CZ 4.07Å; C336-F361 HydrophobicContact CB-CD1 3.61Å; C336-F361 HydrophobicContact CB-CD2 3.74Å; C336-F361 HydrophobicContact CB-CE1 3.47Å; C336-F361 VanDerWaalsContact CB-CE1 3.47Å; C336-F361 HydrophobicContact CB-CE2 3.66Å; C336-F361 HydrophobicContact CB-CG 3.78Å; C336-F361 HydrophobicContact CB-CZ 3.54Å; E338-F361 HydrophobicContact CB-CD1 4.14Å; E338-F361 HydrophobicContact CB-CE1 4.24Å; E338-F361 WeakPolarHBondContact OE2-CA 3.5Å; E338-F361 WeakPolarHBondContact OE2-CD1 3.48Å; T359-F361 VanDerWaalsContact O-CD2 3.3Å; T359-F361 WeakPolarHBondContact O-CD2 3.41Å; F361-S365 WeakPolarHBondContact CB-OG 3.01Å
362T84.8Confident88.1Confident39 Ų3966.7 Ų66.724%0.23933%0.333CS..  trans-73.3161.917558.40000111.8E338 K342 V350 N364 S365E338-T362 VanDerWaalsContact OE1-CB 3.31Å; E338-T362 WeakPolarHBondContact OE1-CB 3.48Å; E338-T362 WeakPolarHBondContact OE1-CG2 3.47Å; E338-T362 PolarHBondContact OE1-N 3.17Å; E338-T362 PolarHBondContact OE1-OG1 2.77Å; E338-T362 PolarHBondContact OE2-N 2.82Å; K342-T362 PolarHBondContact NZ-OG1 3.17Å; V350-T362 HydrophobicContact CG2-CG2 4.05Å; T362-N364 PolarHBondContact O-N 2.95Å; T362-S365 WeakPolarHBondContact O-CB 3.23Å; T362-S365 PolarHBondContact O-N 3.24Å; T362-S365 PolarHBondContact O-OG 2.98Å
363E82Confident88.2Confident195 Ų19564.8 Ų64.891%0.91132%0.323SS*.THydrogen-bonded Turntrans-59.7-31.2-179.7-65.8177.6-18000112.8S365E363-S365 PolarHBondContact O-N 3.09Å
364N84.6Confident88.4Confident137 Ų13763.2 Ų63.273%0.73331%0.314SS*.THydrogen-bonded Turntrans-81.28.1177.7-61-8.5000113.4P339 T362P339-N364 HydrophobicContact CG-CB 4.29Å; T362-N364 PolarHBondContact O-N 2.95Å
365S88.3Confident88.5Confident14 Ų1463 Ų6310%0.09831%0.313CS..  trans-72.7141.6176590000111.4A337 F361 T362 E363A337-S365 WeakPolarHBondContact O-CA 3.2Å; A337-S365 WeakPolarHBondContact O-CB 3.35Å; F361-S365 WeakPolarHBondContact CB-OG 3.01Å; T362-S365 WeakPolarHBondContact O-CB 3.23Å; T362-S365 PolarHBondContact O-N 3.24Å; T362-S365 PolarHBondContact O-OG 2.98Å; E363-S365 PolarHBondContact O-N 3.09Å
366T89.9Confident88.6Confident65 Ų6563 Ų6340%0.39931%0.313SS..EExtended strand (participates in β ladder)trans-79.4126.8170.347.40000108.5C336 A337C336-T366 WeakPolarHBondContact CA-O 3.22Å; A337-T366 WeakPolarHBondContact CB-OG1 3.35Å; A337-T366 PolarHBondContact N-O 3.37Å; A337-T366 PolarHBondContact O-N 2.73Å; A337-T366 PolarHBondContact O-OG1 3.09Å
367K92.7Very high88.8Confident135 Ų13555 Ų5559%0.58728%0.28SS*.EExtended strand (participates in β ladder)trans-120.3123.5176.5-64.6-177.9-176.5173.90108.5I335I335-K367 CarbonylContact O-C 3.49Å; I335-K367 WeakPolarHBondContact O-CA 3.3Å
368L91.9Very high88.7Confident34 Ų3456 Ų5618%0.17829%0.288CS..EExtended strand (participates in β ladder)trans-127.3139.8-177.7-56164.1000108.6L257 L310 I335L257-L368 HydrophobicContact CD1-CB 4.4Å; L257-L368 HydrophobicContact CD1-CD1 3.97Å; L310-L368 HydrophobicContact CD1-CD1 4.39Å; I335-L368 HydrophobicContact CB-CB 4.31Å; I335-L368 PolarHBondContact N-O 3.13Å; I335-L368 PolarHBondContact O-N 3.1Å
369E92.9Very high87.9Confident106 Ų10664.5 Ų64.550%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-106.8132.3173.3-68.3-169.8-174.200109.9P260 S332 L333P260-E369 HydrophobicContact CG-CB 3.95Å; S332-E369 PolarHBondContact OG-OE2 2.91Å; L333-E369 WeakPolarHBondContact O-CA 3.38Å
370A93.1Very high87.1Confident0 Ų066.8 Ų66.80%036%0.355CS..EExtended strand (participates in β ladder)trans-145.1162.2179.400000110.2L257 L258 S332 L333 I335L257-A370 HydrophobicContact CB-CB 4.31Å; L257-A370 HydrophobicContact CD2-CB 3.89Å; L258-A370 CarbonylContact O-C 3.54Å; L258-A370 VanDerWaalsContact O-CA 3.25Å; L258-A370 WeakPolarHBondContact O-CA 3.19Å; L258-A370 VanDerWaalsContact O-CB 3.3Å; L258-A370 WeakPolarHBondContact O-CB 3.19Å; S332-A370 CarbonylContact C-O 3.57Å; S332-A370 VanDerWaalsContact CA-O 3.25Å; S332-A370 WeakPolarHBondContact CA-O 3.47Å; S332-A370 WeakPolarHBondContact CB-O 3.5Å; L333-A370 HydrophobicContact CD1-CB 4.07Å; L333-A370 WeakPolarHBondContact CG-O 3.33Å; L333-A370 PolarHBondContact N-O 2.83Å; L333-A370 PolarHBondContact O-N 3.41Å; L333-A370 VanDerWaalsContact O-N 3.08Å; I335-A370 HydrophobicContact CD1-CB 4.33Å
371S91.4Very high86.2Confident9 Ų964.4 Ų64.46%0.06335%0.347CS..SBendtrans-91.3-35.1169.757.30000112L258 A259 L401L258-S371 PolarHBondContact O-N 2.94Å; A259-S371 WeakPolarHBondContact O-CB 3.47Å; A259-S371 PolarHBondContact O-OG 3.36Å; S371-L401 PolarHBondContact O-N 3.04Å; S371-L401 VanDerWaalsContact O-N 3.12Å
372V94Very high85.3Confident8 Ų867.7 Ų67.75%0.04838%0.381CS..EExtended strand (participates in β ladder)trans-138.2144.6177.5-172.70000108.4L258 W305 E398 V399 R400L258-V372 HydrophobicContact CB-CB 4.15Å; L258-V372 HydrophobicContact CD1-CB 3.94Å; L258-V372 HydrophobicContact CD1-CG2 4.13Å; L258-V372 HydrophobicContact CG-CB 4.34Å; L258-V372 PolarHBondContact N-O 3.32Å; W305-V372 HydrophobicContact CH2-CB 4.46Å; W305-V372 HydrophobicContact CH2-CG1 3.94Å; V372-E398 HydrophobicContact CG1-CG 3.99Å; V372-V399 CarbonylContact C-O 3.34Å; V372-V399 WeakPolarHBondContact CA-O 3.24Å; V372-V399 WeakPolarHBondContact CG1-O 3.32Å; V372-R400 HydrophobicContact CG1-CB 4.32Å; V372-R400 HydrophobicContact CG2-CB 4.31Å; V372-R400 HydrophobicContact CG2-CG 4.05Å
373C93.9Very high85.2Confident0 Ų066.8 Ų66.80%038%0.379CS..EExtended strand (participates in β ladder)trans-137.1128.1-178.9167.20000108.7V255 S256 L257 L333 I335 V399V255-C373 WeakPolarHBondContact CG1-SG 3.49Å; S256-C373 CarbonylContact O-C 3.49Å; S256-C373 WeakPolarHBondContact O-CA 3.44Å; L257-C373 HydrophobicContact CD2-CB 4.25Å; L333-C373 HydrophobicContact CD1-CB 4.33Å; I335-C373 HydrophobicContact CD1-CB 3.85Å; C373-V399 PolarHBondContact N-O 2.96Å; C373-V399 PolarHBondContact O-N 3.36Å
374R94.1Very high85.6Confident101 Ų10161.9 Ų61.938%0.38136%0.355SS..EExtended strand (participates in β ladder)trans-103.1128.7165.3-56.6172.4166.1156.62.8109.4V255 S256 W305 V397 E398V255-R374 WeakPolarHBondContact CA-O 3.25Å; S256-R374 PolarHBondContact N-O 3.37Å; S256-R374 PolarHBondContact O-N 3.04Å; S256-R374 VanDerWaalsContact OG-CB 3.3Å; S256-R374 WeakPolarHBondContact OG-CB 3.46Å; W305-R374 HydrophobicContact CH2-CG 3.77Å; W305-R374 HydrophobicContact CZ3-CB 4.49Å; W305-R374 HydrophobicContact CZ3-CG 3.78Å; R374-V397 WeakPolarHBondContact CA-O 3.41Å; R374-E398 HydrophobicContact CG-CB 4.12Å; R374-E398 HydrophobicContact CG-CG 3.91Å; R374-E398 IonicContact CZ-OE2 3.35Å; R374-E398 IonicContact NE-OE2 3.8Å; R374-E398 PolarHBondContact NE-OE2 3.43Å; R374-E398 IonicContact NH2-OE2 2.93Å; R374-E398 PolarHBondContact NH2-OE2 3.21Å
375L91.9Very high85.9Confident2 Ų255.5 Ų55.51%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-97.8121.8173.5-65.5-177.1000108.7L212 V253 V255 L315 I317 P396 V397L212-L375 HydrophobicContact CD2-CD1 4.08Å; V253-L375 HydrophobicContact CG1-CD2 4.19Å; V255-L375 HydrophobicContact CB-CD2 4.43Å; V255-L375 HydrophobicContact CG1-CD2 4.13Å; V255-L375 HydrophobicContact CG2-CD2 3.72Å; L315-L375 HydrophobicContact CD2-CD1 4.12Å; L315-L375 HydrophobicContact CD2-CD2 3.7Å; I317-L375 HydrophobicContact CD1-CD1 3.58Å; I317-L375 HydrophobicContact CD1-CD2 3.99Å; I317-L375 HydrophobicContact CD1-CG 3.87Å; L375-P396 VanDerWaalsContact O-CA 3.27Å; L375-P396 WeakPolarHBondContact O-CA 3.36Å; L375-V397 HydrophobicContact CB-CG2 3.96Å; L375-V397 HydrophobicContact CD1-CG2 3.97Å; L375-V397 HydrophobicContact CG-CG2 4.31Å; L375-V397 PolarHBondContact N-O 3.24Å; L375-V397 PolarHBondContact O-N 2.93Å; L375-V397 VanDerWaalsContact O-N 3.12Å
376T90.1Very high86.2Confident63 Ų6355.8 Ų55.839%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-112.9120.5170.547.10000107.8S254S254-T376 VanDerWaalsContact CB-OG1 3.23Å; S254-T376 WeakPolarHBondContact CB-OG1 3.49Å; S254-T376 PolarHBondContact N-O 2.95Å; S254-T376 PolarHBondContact O-N 3.34Å; S254-T376 PolarHBondContact O-OG1 2.89Å; S254-T376 PolarHBondContact OG-O 3.4Å; S254-T376 PolarHBondContact OG-OG1 2.87Å
377L86.4Confident86.3Confident25 Ų2552.9 Ų52.913%0.13130%0.303CS..PPolyproline II helixtrans-92.6146.7177-63.9-177.8000109.4W214 A381 Y385 A394W214-L377 HydrophobicContact CD2-CD2 4.35Å; W214-L377 HydrophobicContact CE3-CD2 4.43Å; W214-L377 HydrophobicContact CH2-CD2 3.6Å; W214-L377 HydrophobicContact CZ2-CD1 4.46Å; W214-L377 HydrophobicContact CZ2-CD2 3.53Å; W214-L377 HydrophobicContact CZ3-CD2 4.14Å; L377-A381 HydrophobicContact CB-CB 4.31Å; L377-Y385 VanDerWaalsContact CD1-OH 3.23Å; L377-Y385 WeakPolarHBondContact CD1-OH 3.42Å; L377-Y385 WeakPolarHBondContact CG-OH 3.45Å; L377-A394 HydrophobicContact CD1-CB 3.76Å
378P82.4Confident86.1Confident66 Ų6647 Ų4743%0.42928%0.278SS..PPolyproline II helixtrans-64.4148174.722.1-27.2000111.5D252 G380 A381D252-P378 VanDerWaalsContact O-CD 3.29Å; D252-P378 WeakPolarHBondContact O-CD 3.37Å; D252-P378 WeakPolarHBondContact O-CG 3.36Å; P378-G380 PolarHBondContact O-N 3.39Å; P378-A381 HydrophobicContact CG-CB 4.09Å; P378-A381 VanDerWaalsContact O-CB 3.27Å; P378-A381 WeakPolarHBondContact O-CB 3.45Å; P378-A381 PolarHBondContact O-N 3.32Å
379E67.9Low85.8Confident208 Ų20848.6 Ų48.697%0.97229%0.287SS*.THydrogen-bonded Turntrans-58.2122.2-179.2-67.1-177174.100110.9
380G65.2Low85.6Confident79 Ų7944.9 Ų44.981%0.81427%0.269SS*.THydrogen-bonded Turntrans91.33.6-17800000115.5P378 A382P378-G380 PolarHBondContact O-N 3.39Å; G380-A382 VanDerWaalsContact C-N 3.27Å; G380-A382 PolarHBondContact O-N 3.49Å
381A66.4Low85.4Confident33 Ų3350.4 Ų50.427%0.27330%0.295SS..  trans-67.983.3170.200000111.2L377 P378L377-A381 HydrophobicContact CB-CB 4.31Å; P378-A381 HydrophobicContact CG-CB 4.09Å; P378-A381 VanDerWaalsContact O-CB 3.27Å; P378-A381 WeakPolarHBondContact O-CB 3.45Å; P378-A381 PolarHBondContact O-N 3.32Å
382A67.5Low85.4Confident103 Ų10352.6 Ų52.685%0.85130%0.303SS*.  trans-72.3129.4170.500000109.7G380G380-A382 VanDerWaalsContact C-N 3.27Å; G380-A382 PolarHBondContact O-N 3.49Å
383G83Confident85.2Confident20 Ų2058.7 Ų58.721%0.20633%0.33CS..  trans179.8-175.3178.300000111.6A394G383-A394 VanDerWaalsContact C-CB 3.48Å; G383-A394 WeakPolarHBondContact O-CB 3.48Å; G383-A394 PolarHBondContact O-N 2.92Å
384F89.7Confident85Confident91 Ų9159.7 Ų59.740%0.39934%0.339SS..EExtended strand (participates in β ladder)trans-123.3145.8176.4-60.4-89.2000110.1R218 Y392 E393R218-F384 PolarHBondContact NE-O 3.5Å; R218-F384 PolarHBondContact NH2-O 2.83Å; F384-Y392 CarbonylContact C-O 3.59Å; F384-Y392 WeakPolarHBondContact CA-O 3.41Å; F384-Y392 VanDerWaalsContact CB-O 3.29Å; F384-Y392 WeakPolarHBondContact CB-O 3.36Å; F384-E393 HydrophobicContact CD1-CG 4.41Å; F384-E393 HydrophobicContact CE1-CG 4.14Å
385Y91.7Very high84.8Confident3 Ų356.9 Ų56.91%0.01233%0.33CS..EExtended strand (participates in β ladder)trans-84.6151.7159.3-65.3-47.8000109.6L212 W214 L377 E391 Y392 A394 M395 V397L212-Y385 HydrophobicContact CD1-CD1 4.44Å; L212-Y385 HydrophobicContact CD1-CD2 4.19Å; L212-Y385 HydrophobicContact CD1-CG 4.09Å; L212-Y385 HydrophobicContact CD2-CD1 3.8Å; L212-Y385 HydrophobicContact CD2-CE1 4.13Å; L212-Y385 HydrophobicContact CD2-CG 4.23Å; L212-Y385 HydrophobicContact CG-CD1 4.3Å; L212-Y385 HydrophobicContact CG-CG 4.24Å; W214-Y385 HydrophobicContact CB-CD1 3.65Å; W214-Y385 HydrophobicContact CB-CE1 3.71Å; W214-Y385 AromaticContact CD1-CD1 3.36Å; W214-Y385 AromaticContact CD1-CE1 3.36Å; W214-Y385 HydrophobicContact CD2-CE1 4.17Å; W214-Y385 AromaticContact CG-CD1 3.66Å; W214-Y385 HydrophobicContact CG-CD1 3.66Å; W214-Y385 AromaticContact CG-CE1 3.47Å; W214-Y385 HydrophobicContact CG-CE1 3.47Å; W214-Y385 VanDerWaalsContact CG-CE1 3.47Å; W214-Y385 AromaticContact NE1-CE1 3.96Å; L377-Y385 VanDerWaalsContact CD1-OH 3.23Å; L377-Y385 WeakPolarHBondContact CD1-OH 3.42Å; L377-Y385 WeakPolarHBondContact CG-OH 3.45Å; Y385-E391 WeakPolarHBondContact O-CA 3.36Å; Y385-Y392 PolarHBondContact N-O 3.1Å; Y385-Y392 PolarHBondContact O-N 3.04Å; Y385-A394 HydrophobicContact CD1-CB 4.43Å; Y385-A394 HydrophobicContact CD2-CB 4.31Å; Y385-A394 HydrophobicContact CE1-CB 4.26Å; Y385-A394 HydrophobicContact CE2-CB 4.17Å; Y385-A394 HydrophobicContact CG-CB 4.45Å; Y385-M395 VanDerWaalsContact CE2-O 3.24Å; Y385-M395 WeakPolarHBondContact CE2-O 3.49Å; Y385-M395 PolarHBondContact OH-O 3.28Å; Y385-M395 VanDerWaalsContact OH-O 3.06Å; Y385-V397 HydrophobicContact CE2-CG1 4.23Å; Y385-V397 HydrophobicContact CE2-CG2 4.09Å
386N93.1Very high84.8Confident20 Ų2059.1 Ų59.111%0.10735%0.345CS..EExtended strand (participates in β ladder)trans-111.9112.6163.2-174.5-81.9000108.5L212 R213 R218 N389 E390L212-N386 CarbonylContact C-O 3.58Å; L212-N386 WeakPolarHBondContact CA-O 3.49Å; R213-N386 HydrophobicContact CB-CB 4.27Å; R213-N386 PolarHBondContact N-O 3.33Å; R213-N386 PolarHBondContact O-N 2.9Å; R218-N386 HydrophobicContact CG-CB 3.39Å; N386-N389 WeakPolarHBondContact ND2-CA 3.39Å; N386-N389 WeakPolarHBondContact OD1-CA 3.49Å; N386-N389 PolarHBondContact OD1-N 3.4Å; N386-E390 CarbonylContact C-O 3.57Å; N386-E390 WeakPolarHBondContact CA-O 3.42Å
387I92.4Very high85Confident4 Ų456.6 Ų56.62%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-107.2116.7177.3-57.2175.5000105.6Q132 I198 V206 A208 L212 N389 E390 Y392Q132-I387 PolarHBondContact OE1-O 3.35Å; I198-I387 HydrophobicContact CD1-CD1 3.78Å; I198-I387 HydrophobicContact CD1-CG1 4.05Å; I198-I387 HydrophobicContact CD1-CG2 3.75Å; I198-I387 HydrophobicContact CG2-CD1 4.35Å; V206-I387 HydrophobicContact CG1-CD1 4.39Å; A208-I387 HydrophobicContact CB-CG2 3.44Å; A208-I387 VanDerWaalsContact CB-CG2 3.44Å; L212-I387 HydrophobicContact CB-CG1 4.37Å; L212-I387 HydrophobicContact CD1-CD1 4.32Å; L212-I387 HydrophobicContact CD1-CG1 4.16Å; L212-I387 HydrophobicContact CG-CG1 4.21Å; I387-N389 PolarHBondContact O-N 2.88Å; I387-E390 PolarHBondContact N-O 2.9Å; I387-E390 PolarHBondContact O-N 2.83Å; I387-Y392 HydrophobicContact CB-CD2 3.86Å; I387-Y392 HydrophobicContact CB-CE2 3.98Å; I387-Y392 HydrophobicContact CD1-CD1 4.4Å; I387-Y392 HydrophobicContact CD1-CD2 3.71Å; I387-Y392 HydrophobicContact CD1-CE2 4.22Å; I387-Y392 HydrophobicContact CD1-CG 3.84Å; I387-Y392 HydrophobicContact CG1-CD2 3.87Å; I387-Y392 HydrophobicContact CG1-CE2 4.42Å; I387-Y392 HydrophobicContact CG1-CG 4.4Å
388D88.9Confident85.4Confident12 Ų1258.3 Ų58.36%0.06434%0.337CS..THydrogen-bonded Turntrans4541.8-179.7-67.4-4.4000115.2D128 A208 L209 I210 G211D128-D388 WeakPolarHBondContact CB-O 3.48Å; A208-D388 WeakPolarHBondContact CA-OD2 3.18Å; L209-D388 PolarHBondContact N-OD2 3.17Å; I210-D388 WeakPolarHBondContact CA-OD1 3.43Å; I210-D388 WeakPolarHBondContact CB-OD1 3.41Å; I210-D388 PolarHBondContact N-OD1 3.27Å; I210-D388 PolarHBondContact N-OD2 2.84Å; G211-D388 PolarHBondContact N-OD1 2.93Å; G211-D388 PolarHBondContact O-N 3.44Å; G211-D388 VanDerWaalsContact O-N 3.14Å
389N85.8Confident86Confident67 Ų6755.2 Ų55.236%0.35832%0.317SS..THydrogen-bonded Turntrans75.28.9-177.4-58.1-52.7000116.9D128 S162 N386 I387D128-N389 PolarHBondContact OD2-ND2 2.89Å; S162-N389 PolarHBondContact OG-ND2 3.45Å; N386-N389 WeakPolarHBondContact ND2-CA 3.39Å; N386-N389 WeakPolarHBondContact OD1-CA 3.49Å; N386-N389 PolarHBondContact OD1-N 3.4Å; I387-N389 PolarHBondContact O-N 2.88Å
390E87.9Confident87.3Confident28 Ų2850.3 Ų50.313%0.13129%0.289CS..EExtended strand (participates in β ladder)trans-103.3145.6169.3-73.7-173.1173.400112.2G129 Q132 N386 I387 Y392G129-E390 VanDerWaalsContact C-OE1 3.22Å; G129-E390 WeakPolarHBondContact CA-OE1 3.45Å; Q132-E390 PolarHBondContact OE1-OE2 3Å; Q132-E390 VanDerWaalsContact OE1-OE2 3.1Å; N386-E390 CarbonylContact C-O 3.57Å; N386-E390 WeakPolarHBondContact CA-O 3.42Å; I387-E390 PolarHBondContact N-O 2.9Å; I387-E390 PolarHBondContact O-N 2.83Å; E390-Y392 HydrophobicContact CB-CD2 4.28Å; E390-Y392 HydrophobicContact CB-CE2 3.59Å; E390-Y392 PolarHBondContact OE2-OH 3.48Å
391E90.3Very high88.7Confident116 Ų11647.1 Ų47.154%0.54225%0.254SS..EExtended strand (participates in β ladder)trans-89.7127.5-178.9-64.6-177.7175.400111A222 Y385A222-E391 VanDerWaalsContact CB-OE1 3.28Å; A222-E391 WeakPolarHBondContact CB-OE1 3.44Å; Y385-E391 WeakPolarHBondContact O-CA 3.36Å
392Y90.7Very high90Very high56 Ų5647 Ų4722%0.2225%0.248CC..EExtended strand (participates in β ladder)trans-126150.7176.4-72.9-96.1000109.6Q132 V206 F384 Y385 I387 E390Q132-Y392 VanDerWaalsContact NE2-CE2 3.33Å; Q132-Y392 PolarHBondContact NE2-OH 2.85Å; V206-Y392 HydrophobicContact CG1-CE1 4.26Å; V206-Y392 HydrophobicContact CG2-CD1 4.49Å; V206-Y392 HydrophobicContact CG2-CE1 3.93Å; F384-Y392 CarbonylContact C-O 3.59Å; F384-Y392 WeakPolarHBondContact CA-O 3.41Å; F384-Y392 VanDerWaalsContact CB-O 3.29Å; F384-Y392 WeakPolarHBondContact CB-O 3.36Å; Y385-Y392 PolarHBondContact N-O 3.1Å; Y385-Y392 PolarHBondContact O-N 3.04Å; I387-Y392 HydrophobicContact CB-CD2 3.86Å; I387-Y392 HydrophobicContact CB-CE2 3.98Å; I387-Y392 HydrophobicContact CD1-CD1 4.4Å; I387-Y392 HydrophobicContact CD1-CD2 3.71Å; I387-Y392 HydrophobicContact CD1-CE2 4.22Å; I387-Y392 HydrophobicContact CD1-CG 3.84Å; I387-Y392 HydrophobicContact CG1-CD2 3.87Å; I387-Y392 HydrophobicContact CG1-CE2 4.42Å; I387-Y392 HydrophobicContact CG1-CG 4.4Å; E390-Y392 HydrophobicContact CB-CD2 4.28Å; E390-Y392 HydrophobicContact CB-CE2 3.59Å; E390-Y392 PolarHBondContact OE2-OH 3.48Å
393E90.3Very high91.2Very high135 Ų13544.6 Ų44.663%0.63122%0.224SC*.EExtended strand (participates in β ladder)trans-66.9136.5175.6-65.9-174.7176.800110.8F384 M395F384-E393 HydrophobicContact CD1-CG 4.41Å; F384-E393 HydrophobicContact CE1-CG 4.14Å; E393-M395 HydrophobicContact CB-CE 4.36Å; E393-M395 PolarHBondContact O-N 3.39Å
394A88.8Confident91.5Very high21 Ų2146.9 Ų46.917%0.17423%0.226CC..  trans-74.8125.2179.800000110.5L377 G383 Y385L377-A394 HydrophobicContact CD1-CB 3.76Å; G383-A394 VanDerWaalsContact C-CB 3.48Å; G383-A394 WeakPolarHBondContact O-CB 3.48Å; G383-A394 PolarHBondContact O-N 2.92Å; Y385-A394 HydrophobicContact CD1-CB 4.43Å; Y385-A394 HydrophobicContact CD2-CB 4.31Å; Y385-A394 HydrophobicContact CE1-CB 4.26Å; Y385-A394 HydrophobicContact CE2-CB 4.17Å; Y385-A394 HydrophobicContact CG-CB 4.45Å
395M90.3Very high91.7Very high42 Ų4244.7 Ų44.721%0.20722%0.216CC..  trans-150.9163.6179.566.1-175.482.900109.9E203 Y385 E393 V397E203-M395 HydrophobicContact CG-CE 4.45Å; Y385-M395 VanDerWaalsContact CE2-O 3.24Å; Y385-M395 WeakPolarHBondContact CE2-O 3.49Å; Y385-M395 PolarHBondContact OH-O 3.28Å; Y385-M395 VanDerWaalsContact OH-O 3.06Å; E393-M395 HydrophobicContact CB-CE 4.36Å; E393-M395 PolarHBondContact O-N 3.39Å; M395-V397 HydrophobicContact CG-CG1 3.89Å; M395-V397 PolarHBondContact O-N 3.45Å
396P91.9Very high91.8Very high49 Ų4944.5 Ų44.532%0.31822%0.216SC..  trans-57.3126.9170.2-23.834.8000110.9L375L375-P396 VanDerWaalsContact O-CA 3.27Å; L375-P396 WeakPolarHBondContact O-CA 3.36Å
397V93.8Very high91.9Very high10 Ų1048.7 Ų48.76%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-134.8141.6-175.3-69.90000111.7I198 K199 L212 R374 L375 Y385 M395 V399I198-V397 HydrophobicContact CG2-CB 4.05Å; I198-V397 HydrophobicContact CG2-CG1 4.09Å; I198-V397 HydrophobicContact CG2-CG2 4.34Å; K199-V397 WeakPolarHBondContact O-CA 3.5Å; L212-V397 HydrophobicContact CD1-CG2 4.33Å; R374-V397 WeakPolarHBondContact CA-O 3.41Å; L375-V397 HydrophobicContact CB-CG2 3.96Å; L375-V397 HydrophobicContact CD1-CG2 3.97Å; L375-V397 HydrophobicContact CG-CG2 4.31Å; L375-V397 PolarHBondContact N-O 3.24Å; L375-V397 PolarHBondContact O-N 2.93Å; L375-V397 VanDerWaalsContact O-N 3.12Å; Y385-V397 HydrophobicContact CE2-CG1 4.23Å; Y385-V397 HydrophobicContact CE2-CG2 4.09Å; M395-V397 HydrophobicContact CG-CG1 3.89Å; M395-V397 PolarHBondContact O-N 3.45Å; V397-V399 HydrophobicContact CG2-CG2 4.17Å
398E94.9Very high92Very high62 Ų6248.5 Ų48.529%0.2923%0.229SC..EExtended strand (participates in β ladder)trans-95.1121.6165.4-175.1173.9134.100109.1K199 V372 R374K199-E398 PolarHBondContact N-O 2.97Å; K199-E398 PolarHBondContact O-N 2.84Å; V372-E398 HydrophobicContact CG1-CG 3.99Å; R374-E398 HydrophobicContact CG-CB 4.12Å; R374-E398 HydrophobicContact CG-CG 3.91Å; R374-E398 IonicContact CZ-OE2 3.35Å; R374-E398 IonicContact NE-OE2 3.8Å; R374-E398 PolarHBondContact NE-OE2 3.43Å; R374-E398 IonicContact NH2-OE2 2.93Å; R374-E398 PolarHBondContact NH2-OE2 3.21Å
399V95.7Very high92.4Very high0 Ų048.2 Ų48.20%023%0.227CC..EExtended strand (participates in β ladder)trans-109.1119178.2-1720000109.1L196 Q197 I198 I317 L333 V372 C373 V397L196-V399 HydrophobicContact CB-CG1 4.36Å; L196-V399 HydrophobicContact CD2-CG1 4.18Å; Q197-V399 CarbonylContact O-C 3.56Å; Q197-V399 WeakPolarHBondContact O-CA 3.32Å; I198-V399 HydrophobicContact CG1-CG1 4.09Å; I198-V399 HydrophobicContact CG1-CG2 4.22Å; I198-V399 HydrophobicContact CG2-CG2 4.37Å; I317-V399 HydrophobicContact CD1-CB 4.48Å; I317-V399 HydrophobicContact CD1-CG2 4.07Å; I317-V399 HydrophobicContact CG2-CG1 4.07Å; L333-V399 HydrophobicContact CD2-CG1 4.06Å; V372-V399 CarbonylContact C-O 3.34Å; V372-V399 WeakPolarHBondContact CA-O 3.24Å; V372-V399 WeakPolarHBondContact CG1-O 3.32Å; C373-V399 PolarHBondContact N-O 2.96Å; C373-V399 PolarHBondContact O-N 3.36Å; V397-V399 HydrophobicContact CG2-CG2 4.17Å
400R95.3Very high92.8Very high106 Ų10645.1 Ų45.140%0.421%0.21SC..EExtended strand (participates in β ladder)trans-122.5134.1-178.2173.3169.3-178.11710.7110.8Q197 V372 L402Q197-R400 HydrophobicContact CB-CB 4.48Å; Q197-R400 PolarHBondContact N-O 3.31Å; Q197-R400 PolarHBondContact O-N 2.87Å; V372-R400 HydrophobicContact CG1-CB 4.32Å; V372-R400 HydrophobicContact CG2-CB 4.31Å; V372-R400 HydrophobicContact CG2-CG 4.05Å; R400-L402 HydrophobicContact CG-CD2 4.43Å
401L95Very high93.1Very high12 Ų1244.1 Ų44.16%0.06321%0.207CC..EExtended strand (participates in β ladder)trans-77.9131.9170.8-169.677.8000111D194 L196 T319 D331 S332 L333 S371 P403D194-L401 HydrophobicContact CB-CD1 3.96Å; L196-L401 HydrophobicContact CD2-CD1 3.77Å; T319-L401 HydrophobicContact CG2-CD1 4.21Å; D331-L401 HydrophobicContact CB-CD2 4.3Å; S332-L401 WeakPolarHBondContact O-CD2 3.32Å; L333-L401 HydrophobicContact CB-CD1 4.33Å; L333-L401 HydrophobicContact CD2-CB 4.48Å; S371-L401 PolarHBondContact O-N 3.04Å; S371-L401 VanDerWaalsContact O-N 3.12Å; L401-P403 WeakPolarHBondContact O-CD 3.42Å
402L93.6Very high93.1Very high31 Ų3139.6 Ų39.616%0.16219%0.189CC..EExtended strand (participates in β ladder)trans-108.994.1167.6-57.4-178.1000108.2V195 Q197 F207 R400 K405V195-L402 HydrophobicContact CB-CB 4.35Å; V195-L402 PolarHBondContact N-O 3.42Å; V195-L402 WeakPolarHBondContact O-CA 3.44Å; V195-L402 WeakPolarHBondContact O-CB 3.48Å; V195-L402 PolarHBondContact O-N 2.99Å; Q197-L402 HydrophobicContact CB-CD1 4.09Å; Q197-L402 HydrophobicContact CB-CG 4.24Å; F207-L402 HydrophobicContact CD1-CD1 4.16Å; F207-L402 HydrophobicContact CE1-CD1 3.72Å; R400-L402 HydrophobicContact CG-CD2 4.43Å; L402-K405 HydrophobicContact CB-CB 3.95Å; L402-K405 HydrophobicContact CB-CG 4.24Å; L402-K405 HydrophobicContact CD1-CG 4.41Å
403P91.6Very high93.1Very high51 Ų5142.8 Ų42.833%0.33121%0.206SC..EExtended strand (participates in β ladder)trans-69.7139-174.227.8-34.2000111.4D194 D331 L401 K405D194-P403 VanDerWaalsContact OD1-CA 3.28Å; D194-P403 WeakPolarHBondContact OD1-CA 3.45Å; D331-P403 HydrophobicContact CB-CB 3.91Å; D331-P403 HydrophobicContact CB-CG 4.22Å; D331-P403 WeakPolarHBondContact OD2-CB 3.23Å; L401-P403 WeakPolarHBondContact O-CD 3.42Å; P403-K405 PolarHBondContact O-N 2.88Å
404R90.3Very high93.2Very high68 Ų6838.2 Ų38.226%0.25718%0.183SC..EExtended strand (participates in β ladder)trans49.832.5174.7-61.6170.1-76.6175.2-5.3113.6P192 V193 D194 P264 D266 D331P192-R404 HydrophobicContact CB-CB 3.84Å; P192-R404 HydrophobicContact CB-CG 3.85Å; P192-R404 HydrophobicContact CG-CG 4.17Å; V193-R404 CarbonylContact O-C 3.56Å; D194-R404 PolarHBondContact OD1-N 3.3Å; P264-R404 VanDerWaalsContact CD-NH2 3.33Å; P264-R404 VanDerWaalsContact CG-NH2 3.29Å; P264-R404 PolarHBondContact O-NH1 2.88Å; D266-R404 IonicContact OD1-CZ 3.73Å; D266-R404 IonicContact OD1-NH1 3.77Å; D266-R404 PolarHBondContact OD1-NH1 3.04Å; D331-R404 IonicContact OD2-NH2 2.87Å; D331-R404 PolarHBondContact OD2-NH2 3.09Å
405K92.6Very high93.3Very high45 Ų4542.5 Ų42.520%0.19620%0.195CC..EExtended strand (participates in β ladder)trans-73-31.6-172.2-176.2581721700112.3L139 S148 V193 V195 L402 P403L139-K405 HydrophobicContact CD1-CG 4.49Å; L139-K405 HydrophobicContact CD2-CD 4.44Å; L139-K405 HydrophobicContact CD2-CG 3.97Å; S148-K405 VanDerWaalsContact CB-O 3.27Å; S148-K405 WeakPolarHBondContact CB-O 3.44Å; S148-K405 VanDerWaalsContact OG-CE 3.31Å; S148-K405 WeakPolarHBondContact OG-CE 3.36Å; S148-K405 PolarHBondContact OG-NZ 2.96Å; V193-K405 PolarHBondContact O-N 3.23Å; V193-K405 VanDerWaalsContact O-N 3.16Å; V195-K405 HydrophobicContact CB-CB 4.43Å; V195-K405 HydrophobicContact CG2-CB 4.01Å; V195-K405 HydrophobicContact CG2-CG 4.48Å; L402-K405 HydrophobicContact CB-CB 3.95Å; L402-K405 HydrophobicContact CB-CG 4.24Å; L402-K405 HydrophobicContact CD1-CG 4.41Å; P403-K405 PolarHBondContact O-N 2.88Å
406L94.6Very high93.3Very high0 Ų047 Ų470%022%0.215CC..EExtended strand (participates in β ladder)trans-121.1159.2-179.5-62.6176.8000111I135 L138 L139 I152 P192 V193 V195 L209 F408I135-L406 HydrophobicContact CB-CD1 4.46Å; I135-L406 HydrophobicContact CD1-CD1 4.21Å; I135-L406 HydrophobicContact CG1-CD1 4Å; I135-L406 HydrophobicContact CG2-CD1 3.73Å; L138-L406 HydrophobicContact CD2-CD2 4.15Å; L139-L406 HydrophobicContact CD1-CD1 4.47Å; L139-L406 HydrophobicContact CD2-CD2 4.12Å; I152-L406 HydrophobicContact CD1-CD1 4.24Å; I152-L406 HydrophobicContact CD1-CD2 4.21Å; P192-L406 CarbonylContact C-O 3.56Å; P192-L406 WeakPolarHBondContact CA-O 3.4Å; V193-L406 PolarHBondContact N-O 2.89Å; V193-L406 PolarHBondContact O-N 3.29Å; V195-L406 HydrophobicContact CG2-CB 4.39Å; V195-L406 HydrophobicContact CG2-CD1 3.6Å; V195-L406 HydrophobicContact CG2-CG 3.75Å; L209-L406 HydrophobicContact CD2-CD1 4.25Å; L406-F408 HydrophobicContact CB-CD2 4.3Å; L406-F408 HydrophobicContact CB-CE2 3.94Å; L406-F408 HydrophobicContact CD1-CE2 4.11Å
407R94.4Very high93.2Very high108 Ų10847.6 Ų47.641%0.40821%0.214SC..EExtended strand (participates in β ladder)trans-117127173.1-62.2-177.971.2121.90.7109.3P151 I152 T190 V191P151-R407 CarbonylContact C-O 3.39Å; P151-R407 WeakPolarHBondContact CA-O 3.09Å; I152-R407 PolarHBondContact N-O 3.09Å; T190-R407 PolarHBondContact OG1-NH2 3.39Å; V191-R407 WeakPolarHBondContact O-CA 3.32Å
408F96.3Very high92.9Very high0 Ų047.4 Ų47.40%021%0.212CC..EExtended strand (participates in β ladder)trans-112.3150.5176.8-84-101.6000111.4L131 I135 I152 F154 L163 L167 T190 V191 V193 L209 L406L131-F408 HydrophobicContact CD1-CE1 3.99Å; L131-F408 HydrophobicContact CD1-CZ 4.11Å; L131-F408 HydrophobicContact CD2-CE1 4.43Å; I135-F408 HydrophobicContact CD1-CZ 4.04Å; I152-F408 HydrophobicContact CB-CD1 4.21Å; I152-F408 HydrophobicContact CB-CE1 3.97Å; I152-F408 HydrophobicContact CB-CE2 4.32Å; I152-F408 HydrophobicContact CB-CG 4.49Å; I152-F408 HydrophobicContact CB-CZ 4.01Å; I152-F408 HydrophobicContact CD1-CE2 4.27Å; I152-F408 HydrophobicContact CD1-CZ 4.2Å; I152-F408 HydrophobicContact CG2-CD1 4.28Å; I152-F408 HydrophobicContact CG2-CE1 3.68Å; I152-F408 HydrophobicContact CG2-CZ 3.9Å; I152-F408 CarbonylContact O-C 3.6Å; I152-F408 VanDerWaalsContact O-CA 3.25Å; I152-F408 WeakPolarHBondContact O-CA 3.41Å; I152-F408 WeakPolarHBondContact O-CD1 3.17Å; F154-F408 HydrophobicContact CB-CE1 4.45Å; L163-F408 HydrophobicContact CD2-CD1 3.98Å; L163-F408 HydrophobicContact CD2-CE1 3.78Å; L163-F408 HydrophobicContact CD2-CZ 4.25Å; L167-F408 HydrophobicContact CD1-CB 3.99Å; L167-F408 HydrophobicContact CD1-CD1 3.58Å; L167-F408 HydrophobicContact CD1-CE1 4.46Å; L167-F408 HydrophobicContact CD1-CG 4.08Å; L167-F408 HydrophobicContact CD2-CB 3.79Å; T190-F408 CarbonylContact C-O 3.52Å; T190-F408 WeakPolarHBondContact CA-O 3.27Å; V191-F408 HydrophobicContact CG1-CB 4.47Å; V191-F408 PolarHBondContact N-O 2.85Å; V191-F408 PolarHBondContact O-N 2.97Å; V193-F408 HydrophobicContact CB-CD2 3.89Å; V193-F408 HydrophobicContact CB-CE2 4.45Å; V193-F408 HydrophobicContact CG1-CD2 4.37Å; V193-F408 HydrophobicContact CG2-CB 3.91Å; V193-F408 HydrophobicContact CG2-CD2 3.65Å; V193-F408 HydrophobicContact CG2-CG 4.08Å; L209-F408 HydrophobicContact CD1-CE1 4.36Å; L209-F408 HydrophobicContact CD1-CE2 4.11Å; L209-F408 HydrophobicContact CD1-CZ 3.69Å; L209-F408 HydrophobicContact CD2-CE2 4.32Å; L406-F408 HydrophobicContact CB-CD2 4.3Å; L406-F408 HydrophobicContact CB-CE2 3.94Å; L406-F408 HydrophobicContact CD1-CE2 4.11Å
409F96.2Very high92.5Very high6 Ų649.2 Ų49.23%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-73.6137.1167.5-65.6-78.4000111M121 P151 I152 I185 E189 T190M121-F409 HydrophobicContact CE-CE1 4.15Å; M121-F409 HydrophobicContact CE-CE2 3.84Å; M121-F409 HydrophobicContact CE-CZ 3.42Å; M121-F409 VanDerWaalsContact CE-CZ 3.42Å; M121-F409 HydrophobicContact CG-CE2 3.59Å; M121-F409 HydrophobicContact CG-CZ 3.93Å; M121-F409 HydrophobicContact SD-CE2 3.96Å; M121-F409 HydrophobicContact SD-CZ 4.16Å; P151-F409 HydrophobicContact CB-CD2 4.38Å; P151-F409 HydrophobicContact CB-CE1 4.07Å; P151-F409 HydrophobicContact CB-CE2 3.61Å; P151-F409 HydrophobicContact CB-CZ 3.42Å; P151-F409 VanDerWaalsContact CB-CZ 3.42Å; P151-F409 HydrophobicContact CG-CE1 4.28Å; P151-F409 HydrophobicContact CG-CE2 3.93Å; P151-F409 HydrophobicContact CG-CZ 3.44Å; P151-F409 VanDerWaalsContact CG-CZ 3.44Å; I152-F409 WeakPolarHBondContact O-CD2 3.37Å; I152-F409 PolarHBondContact O-N 2.88Å; I185-F409 HydrophobicContact CB-CB 4.5Å; I185-F409 HydrophobicContact CB-CD2 4.34Å; I185-F409 HydrophobicContact CB-CG 4.35Å; I185-F409 HydrophobicContact CG1-CB 3.96Å; I185-F409 HydrophobicContact CG1-CD2 4.08Å; I185-F409 HydrophobicContact CG1-CG 4.18Å; I185-F409 HydrophobicContact CG2-CD2 3.95Å; I185-F409 HydrophobicContact CG2-CE2 4.1Å; I185-F409 HydrophobicContact CG2-CG 4.36Å; E189-F409 WeakPolarHBondContact O-CA 3.35Å; E189-F409 WeakPolarHBondContact O-CD1 3.34Å; T190-F409 HydrophobicContact CG2-CD1 3.68Å; T190-F409 HydrophobicContact CG2-CE1 3.64Å; T190-F409 HydrophobicContact CG2-CG 4.42Å; T190-F409 HydrophobicContact CG2-CZ 4.37Å
410I95.1Very high92Very high1 Ų153.3 Ų53.31%0.00525%0.252CS..  trans-126.8148.7179.4-171.4166.4000109.2L167 E189 V191 R415 L418L167-I410 WeakPolarHBondContact O-CA 3.47Å; L167-I410 WeakPolarHBondContact O-CG1 3.38Å; E189-I410 HydrophobicContact CB-CG2 4.29Å; E189-I410 PolarHBondContact O-N 3.48Å; V191-I410 HydrophobicContact CB-CB 4.37Å; V191-I410 HydrophobicContact CB-CD1 4.39Å; V191-I410 HydrophobicContact CB-CG2 4.08Å; V191-I410 HydrophobicContact CG1-CB 4.03Å; V191-I410 HydrophobicContact CG1-CD1 4.2Å; V191-I410 HydrophobicContact CG1-CG2 4.29Å; I410-R415 HydrophobicContact CD1-CB 3.88Å; I410-R415 HydrophobicContact CD1-CG 4.37Å; I410-R415 HydrophobicContact CG1-CB 4.18Å; I410-R415 HydrophobicContact CG2-CB 4.27Å; I410-L418 HydrophobicContact CD1-CD1 4.21Å
411S93.5Very high91.1Very high8 Ų852.3 Ų52.36%0.05625%0.252CS..  trans-74.9139.2169.978.90000111L167 S184 E413 R414 R415L167-S411 PolarHBondContact O-N 2.79Å; S184-S411 WeakPolarHBondContact OG-CA 3.31Å; S184-S411 WeakPolarHBondContact OG-CB 3.28Å; S411-E413 VanDerWaalsContact C-N 3.3Å; S411-E413 PolarHBondContact O-N 3.44Å; S411-R414 PolarHBondContact O-N 2.93Å; S411-R414 VanDerWaalsContact O-N 3.09Å; S411-R414 WeakPolarHBondContact OG-CB 3.32Å; S411-R414 PolarHBondContact OG-N 3.28Å; S411-R415 PolarHBondContact O-N 3.34Å
412A90.5Very high89.4Confident21 Ų2157.7 Ų57.717%0.17429%0.287CS..Hα-helixtrans-52.6-49.2177.700000112.4E189 R414 R415 E416E189-A412 WeakPolarHBondContact OE1-CB 3.26Å; E189-A412 WeakPolarHBondContact OE2-CA 3.48Å; E189-A412 WeakPolarHBondContact OE2-CB 3.3Å; A412-R414 VanDerWaalsContact C-N 3.31Å; A412-R414 PolarHBondContact O-N 3.45Å; A412-R415 WeakPolarHBondContact O-CB 3.34Å; A412-R415 PolarHBondContact O-N 3.17Å; A412-E416 WeakPolarHBondContact O-CG 3.35Å; A412-E416 PolarHBondContact O-N 3.21Å
413E91.1Very high87.4Confident123 Ų12367 Ų6758%0.57533%0.33SS*.Hα-helixtrans-56.6-44.3177.8-64.6163.5-151.900111.5S411 E417S411-E413 VanDerWaalsContact C-N 3.3Å; S411-E413 PolarHBondContact O-N 3.44Å; E413-E417 WeakPolarHBondContact O-CB 3.37Å; E413-E417 PolarHBondContact O-N 3.33Å
414R91.6Very high87.2Confident38 Ų3867.9 Ų67.914%0.14333%0.33CS..Hα-helixtrans-70.8-38.2179.9-173.757.3170.8166.65.3111.5P165 S411 A412 E417 L418P165-R414 VanDerWaalsContact O-CZ 3.23Å; P165-R414 PolarHBondContact O-NE 2.74Å; P165-R414 PolarHBondContact O-NH2 2.96Å; S411-R414 PolarHBondContact O-N 2.93Å; S411-R414 VanDerWaalsContact O-N 3.09Å; S411-R414 WeakPolarHBondContact OG-CB 3.32Å; S411-R414 PolarHBondContact OG-N 3.28Å; A412-R414 VanDerWaalsContact C-N 3.31Å; A412-R414 PolarHBondContact O-N 3.45Å; R414-E417 WeakPolarHBondContact CD-OE2 3.43Å; R414-E417 IonicContact CZ-OE2 3.71Å; R414-E417 IonicContact NH1-OE1 3.42Å; R414-E417 PolarHBondContact NH1-OE1 3.32Å; R414-E417 IonicContact NH1-OE2 2.76Å; R414-E417 PolarHBondContact NH1-OE2 2.98Å; R414-E417 PolarHBondContact O-N 3.47Å; R414-L418 HydrophobicContact CG-CD1 4.06Å; R414-L418 HydrophobicContact CG-CG 4.34Å; R414-L418 WeakPolarHBondContact O-CB 3.27Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 2.95Å
415R90.4Very high87Confident111 Ų11167.8 Ų67.842%0.41933%0.334SS..Hα-helixtrans-61.8-45.1176.6-175.1174179.8-102.5-2.3111.1I410 S411 A412 L418 I419I410-R415 HydrophobicContact CD1-CB 3.88Å; I410-R415 HydrophobicContact CD1-CG 4.37Å; I410-R415 HydrophobicContact CG1-CB 4.18Å; I410-R415 HydrophobicContact CG2-CB 4.27Å; S411-R415 PolarHBondContact O-N 3.34Å; A412-R415 WeakPolarHBondContact O-CB 3.34Å; A412-R415 PolarHBondContact O-N 3.17Å; R415-L418 PolarHBondContact O-N 2.92Å; R415-I419 HydrophobicContact CG-CD1 4.05Å; R415-I419 WeakPolarHBondContact O-CD1 3.46Å; R415-I419 VanDerWaalsContact O-CG1 3.23Å; R415-I419 WeakPolarHBondContact O-CG1 3.33Å; R415-I419 PolarHBondContact O-N 3.49Å; R415-I419 VanDerWaalsContact O-N 3.13Å
416E90.6Very high86.7Confident137 Ų13769.1 Ų69.164%0.6434%0.342SS*.Hα-helixtrans-63.5-45.8175.9-71.8178.3-178.800111.7A412 L418 I419 S420A412-E416 WeakPolarHBondContact O-CG 3.35Å; A412-E416 PolarHBondContact O-N 3.21Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.48Å; E416-I419 PolarHBondContact O-N 2.92Å; E416-S420 WeakPolarHBondContact O-CB 3.41Å; E416-S420 PolarHBondContact O-N 3.02Å; E416-S420 PolarHBondContact O-OG 3.42Å
417E90.2Very high86.3Confident62 Ų6273.2 Ų73.229%0.2936%0.362SS..Hα-helixtrans-56.4-48.6176.8-170.5-166.3158.700111.3E413 R414 I419 S420 Q421E413-E417 WeakPolarHBondContact O-CB 3.37Å; E413-E417 PolarHBondContact O-N 3.33Å; R414-E417 WeakPolarHBondContact CD-OE2 3.43Å; R414-E417 IonicContact CZ-OE2 3.71Å; R414-E417 IonicContact NH1-OE1 3.42Å; R414-E417 PolarHBondContact NH1-OE1 3.32Å; R414-E417 IonicContact NH1-OE2 2.76Å; R414-E417 PolarHBondContact NH1-OE2 2.98Å; R414-E417 PolarHBondContact O-N 3.47Å; E417-I419 VanDerWaalsContact C-N 3.31Å; E417-I419 PolarHBondContact O-N 3.13Å; E417-S420 WeakPolarHBondContact CA-OG 3.45Å; E417-S420 PolarHBondContact O-N 3.24Å; E417-S420 VanDerWaalsContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.05Å; E417-Q421 WeakPolarHBondContact O-CG 3.44Å; E417-Q421 PolarHBondContact O-N 2.96Å; E417-Q421 VanDerWaalsContact O-N 3.09Å
418L87.6Confident85.8Confident5 Ų571 Ų713%0.02636%0.359CS..Hα-helixtrans-65.7-30-179-74.6176.2000113.8N323 A325 I410 R414 R415 E416N323-L418 HydrophobicContact CB-CD2 4.15Å; N323-L418 PolarHBondContact ND2-O 2.79Å; N323-L418 WeakPolarHBondContact OD1-CB 3.45Å; A325-L418 HydrophobicContact CB-CB 4.09Å; I410-L418 HydrophobicContact CD1-CD1 4.21Å; R414-L418 HydrophobicContact CG-CD1 4.06Å; R414-L418 HydrophobicContact CG-CG 4.34Å; R414-L418 WeakPolarHBondContact O-CB 3.27Å; R414-L418 WeakPolarHBondContact O-CG 3.34Å; R414-L418 PolarHBondContact O-N 2.95Å; R415-L418 PolarHBondContact O-N 2.92Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.48Å
419I86.8Confident85.1Confident100 Ų10075.7 Ų75.751%0.51338%0.383SS..Hα-helixtrans-75.3-33.1173.6-67.8165.3000110.7A325 R415 E416 E417A325-I419 HydrophobicContact CB-CG1 3.93Å; R415-I419 HydrophobicContact CG-CD1 4.05Å; R415-I419 WeakPolarHBondContact O-CD1 3.46Å; R415-I419 VanDerWaalsContact O-CG1 3.23Å; R415-I419 WeakPolarHBondContact O-CG1 3.33Å; R415-I419 PolarHBondContact O-N 3.49Å; R415-I419 VanDerWaalsContact O-N 3.13Å; E416-I419 PolarHBondContact O-N 2.92Å; E417-I419 VanDerWaalsContact C-N 3.31Å; E417-I419 PolarHBondContact O-N 3.13Å
420S84.1Confident84.3Confident86 Ų8680.7 Ų80.760%0.60141%0.408SS*.Hα-helixtrans-80.3-15.1-178.573.50000114.5E416 E417E416-S420 WeakPolarHBondContact O-CB 3.41Å; E416-S420 PolarHBondContact O-N 3.02Å; E416-S420 PolarHBondContact O-OG 3.42Å; E417-S420 WeakPolarHBondContact CA-OG 3.45Å; E417-S420 PolarHBondContact O-N 3.24Å; E417-S420 VanDerWaalsContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 3.05Å
421Q77.8Confident83.4Confident85 Ų8586.8 Ų86.840%0.39744%0.439SS..SBendtrans-63.3130.1177.9-78.8175.99.800110.1E417E417-Q421 WeakPolarHBondContact O-CG 3.44Å; E417-Q421 PolarHBondContact O-N 2.96Å; E417-Q421 VanDerWaalsContact O-N 3.09Å
422P59.7Low82.6Confident125 Ų12593.4 Ų93.481%0.81247%0.471SS*.  trans-62.6139.7176.525.4-31.9000110.2
423Q50.8Low81.9Confident228 Ų228100 Ų100100%1.06550%0.498SS*.  trans-64.10178.3-68.4-177.4-21.700112.6

Retrieved 423 of 423 residues in 147.3 ms (Link to these results)

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