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Mitochondrial import inner membrane translocase subunit Tim21

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A060W0Y5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene timm21, Length 245 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
1M54Low65.7Low219 Ų219122.4 Ų122.4100%1.07961%0.613SS**  0-42.80-59.9-168.3-165.200113.6Y3 S4M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 2.68Å; M1-S4 WeakPolarHBondContact O-CB 3.03Å; M1-S4 PolarHBondContact O-N 3.29Å
2V57.4Low65.5Low105 Ų105128.3 Ų128.364%0.63662%0.622SS**Hα-helixtrans-48.2-47.1-178.1-176.30000114.3S4 F5 I6V2-S4 VanDerWaalsContact C-N 3.27Å; V2-S4 PolarHBondContact O-N 2.98Å; V2-F5 WeakPolarHBondContact O-CB 3.05Å; V2-F5 PolarHBondContact O-N 3.21Å; V2-I6 HydrophobicContact CG1-CD1 4.05Å; V2-I6 PolarHBondContact O-N 2.83Å
3Y58.8Low65.4Low196 Ų196125.2 Ų125.277%0.76961%0.611SS**Hα-helixtrans-57.1-33.9179.5-63.5-77.1000114.4M1 F5 I6 L7M1-Y3 VanDerWaalsContact C-N 3.35Å; M1-Y3 PolarHBondContact O-N 2.68Å; Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 PolarHBondContact O-N 3.44Å; Y3-I6 PolarHBondContact O-N 3.29Å; Y3-L7 WeakPolarHBondContact O-CB 3.49Å; Y3-L7 PolarHBondContact O-N 3.1Å
4S57.8Low64.9Low70 Ų70124.1 Ų124.149%0.4961%0.609SS.*Hα-helixtrans-68.8-33.1178.1-173.50000112.1M1 V2 K8M1-S4 WeakPolarHBondContact O-CB 3.03Å; M1-S4 PolarHBondContact O-N 3.29Å; V2-S4 VanDerWaalsContact C-N 3.27Å; V2-S4 PolarHBondContact O-N 2.98Å; S4-K8 WeakPolarHBondContact O-CB 3.34Å; S4-K8 WeakPolarHBondContact O-CG 3.46Å; S4-K8 PolarHBondContact O-N 3.41Å
5F70.2Confident64.5Low153 Ų153127.5 Ų127.567%0.67161%0.612SS**Hα-helixtrans-70.9-45.5176.3-161.6-95000111V2 Y3 L7 K8 V9V2-F5 WeakPolarHBondContact O-CB 3.05Å; V2-F5 PolarHBondContact O-N 3.21Å; Y3-F5 VanDerWaalsContact C-N 3.33Å; Y3-F5 PolarHBondContact O-N 3.44Å; F5-L7 PolarHBondContact O-N 2.87Å; F5-K8 PolarHBondContact O-N 2.71Å; F5-V9 HydrophobicContact CD1-CG2 4.12Å; F5-V9 HydrophobicContact CE1-CG2 4Å; F5-V9 WeakPolarHBondContact O-CG2 3.38Å; F5-V9 PolarHBondContact O-N 3.41Å
6I71.6Confident64.1Low95 Ų95126.8 Ų126.849%0.48761%0.608SS.*Hα-helixtrans-60.8-45.4175.5-61.5176.5000110.5V2 Y3 K8 V9 V10V2-I6 HydrophobicContact CG1-CD1 4.05Å; V2-I6 PolarHBondContact O-N 2.83Å; Y3-I6 PolarHBondContact O-N 3.29Å; I6-K8 PolarHBondContact O-N 2.8Å; I6-V9 PolarHBondContact O-N 3.38Å; I6-V10 HydrophobicContact CG2-CG2 4.4Å; I6-V10 WeakPolarHBondContact O-CG2 3.44Å; I6-V10 PolarHBondContact O-N 3.48Å
7L69.1Low63.5Low120 Ų120129.8 Ų129.863%0.62861%0.613SS**Hα-helixtrans-58.3-46.6175.2-120.597.3000111.7Y3 F5 V9 V10 Q11Y3-L7 WeakPolarHBondContact O-CB 3.49Å; Y3-L7 PolarHBondContact O-N 3.1Å; F5-L7 PolarHBondContact O-N 2.87Å; L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 PolarHBondContact O-N 3.18Å; L7-V10 PolarHBondContact O-N 2.78Å; L7-Q11 WeakPolarHBondContact O-CB 3.42Å; L7-Q11 PolarHBondContact O-N 2.97Å
8K69.1Low63.1Low129 Ų129130.1 Ų130.156%0.56161%0.614SS**Hα-helixtrans-63.1-34.7178.3-80176.6175.71750113.1S4 F5 I6 R12S4-K8 WeakPolarHBondContact O-CB 3.34Å; S4-K8 WeakPolarHBondContact O-CG 3.46Å; S4-K8 PolarHBondContact O-N 3.41Å; F5-K8 PolarHBondContact O-N 2.71Å; I6-K8 PolarHBondContact O-N 2.8Å; K8-R12 WeakPolarHBondContact O-CB 3.2Å; K8-R12 WeakPolarHBondContact O-CG 3.34Å; K8-R12 PolarHBondContact O-N 3.35Å; K8-R12 VanDerWaalsContact O-N 3.09Å
9V72.9Confident62.7Low73 Ų73127.5 Ų127.544%0.44261%0.608SS.*Hα-helixtrans-69.2-48.2175.5170.80000110.9F5 I6 L7 Q11 R12 N13F5-V9 HydrophobicContact CD1-CG2 4.12Å; F5-V9 HydrophobicContact CE1-CG2 4Å; F5-V9 WeakPolarHBondContact O-CG2 3.38Å; F5-V9 PolarHBondContact O-N 3.41Å; I6-V9 PolarHBondContact O-N 3.38Å; L7-V9 VanDerWaalsContact C-N 3.32Å; L7-V9 PolarHBondContact O-N 3.18Å; V9-Q11 PolarHBondContact O-N 3.33Å; V9-R12 PolarHBondContact O-N 2.83Å; V9-N13 PolarHBondContact O-N 2.84Å
10V73.8Confident62.5Low78 Ų78126.9 Ų126.947%0.47361%0.608SS.*Hα-helixtrans-62.5-44.4177.1172.80000111.3I6 L7 R12 N13 L14I6-V10 HydrophobicContact CG2-CG2 4.4Å; I6-V10 WeakPolarHBondContact O-CG2 3.44Å; I6-V10 PolarHBondContact O-N 3.48Å; L7-V10 PolarHBondContact O-N 2.78Å; V10-R12 VanDerWaalsContact C-N 3.3Å; V10-R12 PolarHBondContact O-N 3.47Å; V10-N13 PolarHBondContact O-N 3.03Å; V10-N13 VanDerWaalsContact O-N 3.14Å; V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.4Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.92Å
11Q68Low62.3Low108 Ų108123.6 Ų123.651%0.50560%0.598SS.*Hα-helixtrans-67.6-28-179.7-162.6177.228.700112.8L7 V9 R15L7-Q11 WeakPolarHBondContact O-CB 3.42Å; L7-Q11 PolarHBondContact O-N 2.97Å; V9-Q11 PolarHBondContact O-N 3.33Å; Q11-R15 PolarHBondContact O-N 2.79Å
12R63.4Low62.6Low193 Ų193116.7 Ų116.773%0.72857%0.568SS**Hα-helixtrans-70.5-45.1168.1-85.3178153.4155-5.4112K8 V9 V10 L14 R15 Q16K8-R12 WeakPolarHBondContact O-CB 3.2Å; K8-R12 WeakPolarHBondContact O-CG 3.34Å; K8-R12 PolarHBondContact O-N 3.35Å; K8-R12 VanDerWaalsContact O-N 3.09Å; V9-R12 PolarHBondContact O-N 2.83Å; V10-R12 VanDerWaalsContact C-N 3.3Å; V10-R12 PolarHBondContact O-N 3.47Å; R12-L14 PolarHBondContact O-N 2.88Å; R12-R15 PolarHBondContact O-N 3.07Å; R12-Q16 PolarHBondContact O-N 2.87Å
13N63.9Low62.8Low88 Ų88117.1 Ų117.147%0.47156%0.563SS.*Hα-helixtrans-63.2-42.7-179.2-137.4-66.1000111.9V9 V10 R15 Q16 Y17V9-N13 PolarHBondContact O-N 2.84Å; V10-N13 PolarHBondContact O-N 3.03Å; V10-N13 VanDerWaalsContact O-N 3.14Å; N13-R15 PolarHBondContact O-N 3.33Å; N13-Q16 PolarHBondContact O-N 3.39Å; N13-Y17 PolarHBondContact O-N 3.2Å; N13-Y17 VanDerWaalsContact O-N 3.1Å
14L58.8Low62.8Low111 Ų111110.6 Ų110.658%0.58155%0.546SS*.Hα-helixtrans-60.1-43175.3-73.3168000112.5V10 R12 Q16 Y17 Q18V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.4Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 2.92Å; R12-L14 PolarHBondContact O-N 2.88Å; L14-Q16 VanDerWaalsContact C-N 3.34Å; L14-Q16 PolarHBondContact O-N 2.82Å; L14-Y17 PolarHBondContact O-N 2.88Å; L14-Q18 WeakPolarHBondContact O-CB 3.17Å; L14-Q18 PolarHBondContact O-N 2.7Å
15R59.4Low63Low174 Ų174111.3 Ų111.366%0.65755%0.547SS*.Hα-helixtrans-62.1-40.1175.4-75.3-172.8-169.9-145.42.9112.3Q11 R12 N13 Q18 T19Q11-R15 PolarHBondContact O-N 2.79Å; R12-R15 PolarHBondContact O-N 3.07Å; N13-R15 PolarHBondContact O-N 3.33Å; R15-Q18 PolarHBondContact O-N 2.66Å; R15-T19 PolarHBondContact O-N 2.75Å; R15-T19 PolarHBondContact O-OG1 3.42Å; R15-T19 VanDerWaalsContact O-OG1 3.07Å
16Q57.4Low62.6Low117 Ų117109.6 Ų109.655%0.54755%0.545SS..Hα-helixtrans-61.8-44.8176.6-72.6177.3-57.900111.3R12 N13 L14 Q18 T19 L20R12-Q16 PolarHBondContact O-N 2.87Å; N13-Q16 PolarHBondContact O-N 3.39Å; L14-Q16 VanDerWaalsContact C-N 3.34Å; L14-Q16 PolarHBondContact O-N 2.82Å; Q16-Q18 PolarHBondContact O-N 2.79Å; Q16-T19 PolarHBondContact O-N 3.48Å; Q16-T19 PolarHBondContact O-OG1 2.91Å; Q16-L20 WeakPolarHBondContact O-CG 3.47Å; Q16-L20 PolarHBondContact O-N 3.02Å
17Y54.2Low62.1Low177 Ų177113.4 Ų113.469%0.69455%0.553SS**Hα-helixtrans-59-43.7174.7-113.2-89.3000112.9N13 L14 T19 L20 S21N13-Y17 PolarHBondContact O-N 3.2Å; N13-Y17 VanDerWaalsContact O-N 3.1Å; L14-Y17 PolarHBondContact O-N 2.88Å; Y17-T19 PolarHBondContact O-N 3.01Å; Y17-L20 PolarHBondContact O-N 3.06Å; Y17-S21 PolarHBondContact O-N 3.23Å; Y17-S21 PolarHBondContact O-OG 3.09Å
18Q56.2Low61.9Low135 Ų135112.7 Ų112.763%0.63155%0.549SS*.Hα-helixtrans-70-31.8-177.8-147.1167.44.200112.7L14 R15 Q16 S21 T22L14-Q18 WeakPolarHBondContact O-CB 3.17Å; L14-Q18 PolarHBondContact O-N 2.7Å; R15-Q18 PolarHBondContact O-N 2.66Å; Q16-Q18 PolarHBondContact O-N 2.79Å; Q18-S21 PolarHBondContact O-OG 2.75Å; Q18-T22 WeakPolarHBondContact O-CG2 3.46Å; Q18-T22 PolarHBondContact O-N 3.31Å; Q18-T22 PolarHBondContact O-OG1 3.44Å
19T55.9Low61.5Low81 Ų81109.5 Ų109.550%0.49754%0.542SS..Hα-helixtrans-76-31172.751.10000113.7R15 Q16 Y17 T22 Q23R15-T19 PolarHBondContact O-N 2.75Å; R15-T19 PolarHBondContact O-OG1 3.42Å; R15-T19 VanDerWaalsContact O-OG1 3.07Å; Q16-T19 PolarHBondContact O-N 3.48Å; Q16-T19 PolarHBondContact O-OG1 2.91Å; Y17-T19 PolarHBondContact O-N 3.01Å; T19-T22 PolarHBondContact O-OG1 2.94Å; T19-Q23 PolarHBondContact O-N 3.25Å
20L58.1Low61Low116 Ų116113.1 Ų113.161%0.60755%0.552SS**Hα-helixtrans-76.8-37.6177.8-73.5166.9000112.3Q16 Y17 S24Q16-L20 WeakPolarHBondContact O-CG 3.47Å; Q16-L20 PolarHBondContact O-N 3.02Å; Y17-L20 PolarHBondContact O-N 3.06Å; L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 2.82Å; L20-S24 VanDerWaalsContact O-N 3.15Å; L20-S24 PolarHBondContact O-OG 2.84Å
21S58.3Low60Low58 Ų58119 Ų11941%0.40657%0.566SS.*Hα-helixtrans-68.2-41.3177.170.10000112.3Y17 Q18 S24 V25Y17-S21 PolarHBondContact O-N 3.23Å; Y17-S21 PolarHBondContact O-OG 3.09Å; Q18-S21 PolarHBondContact O-OG 2.75Å; S21-S24 WeakPolarHBondContact CA-OG 3.34Å; S21-S24 PolarHBondContact O-N 3.36Å; S21-S24 PolarHBondContact O-OG 3.13Å; S21-S24 VanDerWaalsContact O-OG 3.06Å; S21-V25 WeakPolarHBondContact O-CB 3.32Å; S21-V25 VanDerWaalsContact O-CG2 3.3Å; S21-V25 WeakPolarHBondContact O-CG2 3.07Å; S21-V25 PolarHBondContact O-N 2.86Å
22T60Low59.4Low74 Ų74119.7 Ų119.745%0.45457%0.57SS.*Hα-helixtrans-64.7-42.917844.80000112.5Q18 T19 L26Q18-T22 WeakPolarHBondContact O-CG2 3.46Å; Q18-T22 PolarHBondContact O-N 3.31Å; Q18-T22 PolarHBondContact O-OG1 3.44Å; T19-T22 PolarHBondContact O-OG1 2.94Å; T22-L26 VanDerWaalsContact O-CB 3.3Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 WeakPolarHBondContact O-CD1 3.49Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.09Å; T22-L26 PolarHBondContact O-N 3.01Å
23Q61.4Low59Low113 Ų113116.9 Ų116.953%0.52857%0.565SS.*Hα-helixtrans-65.5-40175.1-74.8-160.619.600113.4T19 R27T19-Q23 PolarHBondContact O-N 3.25Å; Q23-R27 WeakPolarHBondContact O-CG 3.4Å; Q23-R27 PolarHBondContact O-N 2.89Å
24S60.3Low58.5Low59 Ų59118.8 Ų118.841%0.41358%0.576SS.*Hα-helixtrans-70.6-42.1-179.146.60000112L20 S21 R27 I28L20-S24 WeakPolarHBondContact O-CB 3.44Å; L20-S24 PolarHBondContact O-N 2.82Å; L20-S24 VanDerWaalsContact O-N 3.15Å; L20-S24 PolarHBondContact O-OG 2.84Å; S21-S24 WeakPolarHBondContact CA-OG 3.34Å; S21-S24 PolarHBondContact O-N 3.36Å; S21-S24 PolarHBondContact O-OG 3.13Å; S21-S24 VanDerWaalsContact O-OG 3.06Å; S24-R27 PolarHBondContact O-N 3.15Å; S24-I28 WeakPolarHBondContact O-CG1 3.36Å; S24-I28 PolarHBondContact O-N 2.86Å; S24-I28 VanDerWaalsContact O-N 3.11Å
25V61.7Low58.1Low85 Ų85119.8 Ų119.852%0.51558%0.582SS.*Hα-helixtrans-63.3-45.1172.9174.80000111.4S21 R27 I28 C29S21-V25 WeakPolarHBondContact O-CB 3.32Å; S21-V25 VanDerWaalsContact O-CG2 3.3Å; S21-V25 WeakPolarHBondContact O-CG2 3.07Å; S21-V25 PolarHBondContact O-N 2.86Å; V25-R27 VanDerWaalsContact C-N 3.32Å; V25-R27 PolarHBondContact O-N 3.47Å; V25-I28 PolarHBondContact O-N 2.86Å; V25-I28 VanDerWaalsContact O-N 3.11Å; V25-C29 PolarHBondContact O-N 2.84Å; V25-C29 PolarHBondContact O-SG 3.37Å; V25-C29 VanDerWaalsContact O-SG 3.4Å
26L60.8Low57.6Low118 Ų118118.5 Ų118.562%0.61859%0.587SS**Hα-helixtrans-60.9-37.3177.1-79.6167000113T22 K30T22-L26 VanDerWaalsContact O-CB 3.3Å; T22-L26 WeakPolarHBondContact O-CB 3.49Å; T22-L26 WeakPolarHBondContact O-CD1 3.49Å; T22-L26 VanDerWaalsContact O-CG 3.3Å; T22-L26 WeakPolarHBondContact O-CG 3.09Å; T22-L26 PolarHBondContact O-N 3.01Å; L26-K30 PolarHBondContact O-N 2.92Å
27R62.5Low56.9Low174 Ų174121.4 Ų121.466%0.65760%0.6SS**Hα-helixtrans-64.8-41173.4-74.1179.9-164-168.87.4112Q23 S24 V25 R31Q23-R27 WeakPolarHBondContact O-CG 3.4Å; Q23-R27 PolarHBondContact O-N 2.89Å; S24-R27 PolarHBondContact O-N 3.15Å; V25-R27 VanDerWaalsContact C-N 3.32Å; V25-R27 PolarHBondContact O-N 3.47Å; R27-R31 WeakPolarHBondContact O-CB 3.45Å; R27-R31 PolarHBondContact O-N 3.15Å
28I64.2Low56.6Low105 Ų105120.6 Ų120.654%0.53861%0.607SS.*Hα-helixtrans-65.5-45.7177.2-67165.2000110.4S24 V25 R31 M32S24-I28 WeakPolarHBondContact O-CG1 3.36Å; S24-I28 PolarHBondContact O-N 2.86Å; S24-I28 VanDerWaalsContact O-N 3.11Å; V25-I28 PolarHBondContact O-N 2.86Å; V25-I28 VanDerWaalsContact O-N 3.11Å; I28-R31 PolarHBondContact O-N 2.94Å; I28-M32 WeakPolarHBondContact O-CG 3.34Å; I28-M32 PolarHBondContact O-N 2.86Å
29C61.3Low55.7Low63 Ų63123.1 Ų123.143%0.42662%0.619SS.*Hα-helixtrans-61.2-44.9176.5-67.20000112.7V25 R31 M32 Q33V25-C29 PolarHBondContact O-N 2.84Å; V25-C29 PolarHBondContact O-SG 3.37Å; V25-C29 VanDerWaalsContact O-SG 3.4Å; C29-R31 VanDerWaalsContact C-N 3.29Å; C29-R31 PolarHBondContact O-N 2.8Å; C29-M32 PolarHBondContact O-N 2.92Å; C29-Q33 PolarHBondContact O-N 2.82Å
30K60.8Low54.6Low149 Ų149128.8 Ų128.865%0.64864%0.637SS**Hα-helixtrans-60.9-36.5174.3-104.3-176.5173.3-1790112.7L26 M32 Q33 N34L26-K30 PolarHBondContact O-N 2.92Å; K30-M32 VanDerWaalsContact C-N 3.33Å; K30-Q33 PolarHBondContact O-N 3.33Å; K30-N34 PolarHBondContact O-N 3.26Å
31R53.9Low53.9Low201 Ų201129.4 Ų129.476%0.75865%0.648SS**Hα-helixtrans-68.6-32177.4-151.8173.8-166.91783.3112.3R27 I28 C29R27-R31 WeakPolarHBondContact O-CB 3.45Å; R27-R31 PolarHBondContact O-N 3.15Å; I28-R31 PolarHBondContact O-N 2.94Å; C29-R31 VanDerWaalsContact C-N 3.29Å; C29-R31 PolarHBondContact O-N 2.8Å
32M55.2Low52.6Low122 Ų122132 Ų13260%0.60167%0.666SS**Hα-helixtrans-73.7-40.9173.5-68.4-63.9174.800112.6I28 C29 K30 N34 N35 L36I28-M32 WeakPolarHBondContact O-CG 3.34Å; I28-M32 PolarHBondContact O-N 2.86Å; C29-M32 PolarHBondContact O-N 2.92Å; K30-M32 VanDerWaalsContact C-N 3.33Å; M32-N34 PolarHBondContact O-N 3.26Å; M32-N35 PolarHBondContact O-N 2.7Å; M32-L36 PolarHBondContact O-N 3.11Å
33Q54.9Low51.2Low134 Ų134135.2 Ų135.263%0.62669%0.685SS**Hα-helixtrans-63-40.6177.7-73.7-179.5-60.100112.6C29 K30 N35 L36C29-Q33 PolarHBondContact O-N 2.82Å; K30-Q33 PolarHBondContact O-N 3.33Å; Q33-N35 PolarHBondContact O-N 2.97Å; Q33-L36 PolarHBondContact O-N 3.11Å
34N53Low49.7Very low128 Ų128133.6 Ų133.668%0.68469%0.691SS**Hα-helixtrans-66.9-33178.9-76.112.2000113.4K30 M32 L36K30-N34 PolarHBondContact O-N 3.26Å; M32-N34 PolarHBondContact O-N 3.26Å; N34-L36 VanDerWaalsContact C-N 3.32Å
35N51.2Low48.4Very low133 Ų133137.6 Ų137.671%0.71171%0.713SS**Hα-helixtrans-73.9-21.9175.4-89.7-16.1000113.2M32 Q33 H37M32-N35 PolarHBondContact O-N 2.7Å; Q33-N35 PolarHBondContact O-N 2.97Å; N35-H37 VanDerWaalsContact C-N 3.28Å; N35-H37 PolarHBondContact O-N 3.03Å
36L47.6Very low46.7Very low146 Ų146138 Ų13876%0.76472%0.72SS**THydrogen-bonded Turntrans-81.7-0.3-179-105.6157.4000114.3M32 Q33 N34M32-L36 PolarHBondContact O-N 3.11Å; Q33-L36 PolarHBondContact O-N 3.11Å; N34-L36 VanDerWaalsContact C-N 3.32Å
37H43.4Very low45.1Very low179 Ų179143 Ų14383%0.82973%0.73SS**THydrogen-bonded Turntrans-104.56.1179.9-134.352.1000114.7N35N35-H37 VanDerWaalsContact C-N 3.28Å; N35-H37 PolarHBondContact O-N 3.03Å
38L47Very low43.4Very low160 Ų160143.6 Ų143.684%0.83874%0.738SS**SBendtrans-125.140.2-179.7-149.681000114.3
39Q37.3Very low41.7Very low187 Ų187144.1 Ų144.187%0.87475%0.746SS**  trans-145.698.8161.1-110.5171.45.900110.7
40K33.2Very low40.1Very low201 Ų201150 Ų15087%0.87477%0.765SS**  trans-79153163.4-95.6-176.8175.7178.10109.7
41P44.1Very low38.6Very low129 Ų129153.7 Ų153.784%0.83878%0.776SS**  trans-83.5142.9-171.733.4-34.9000112.6
42S31.4Very low37.5Very low112 Ų112147 Ų14778%0.78377%0.771SS**  trans-142.7117.116459.50000111.8
43T30.2Very low36.2Very low142 Ų142148.1 Ų148.187%0.87178%0.784SS**  trans-22.1147.2164.33.70000120.5
44A30.8Very low35.1Very low79 Ų79145.2 Ų145.265%0.65378%0.783SS**  trans97129.3134.600000121.6
45T31.8Very low33.9Very low142 Ų142149.1 Ų149.187%0.87179%0.79SS**  trans60.6150.3156.238.80000117.4
46S25.3Very low32.8Very low94 Ų94151.2 Ų151.266%0.65780%0.795SS**  cis-166.9149.13.6132.30000105.9
47R28.7Very low32Very low222 Ų222149.1 Ų149.184%0.83879%0.792SS**  cis-160.3171.55.6-102.3167.8-178.8-166.51.6108.7
48F26.8Very low31.9Very low187 Ų187145.6 Ų145.682%0.8279%0.785SS**  trans5.9147.7143.1-67.8-98.3000119.8
49V27.5Very low31.2Very low117 Ų117145.3 Ų145.371%0.70978%0.783SS**  -144.1137.260.2168.20000114.1Y51V49-Y51 HydrophobicContact CG1-CD2 3.57Å; V49-Y51 HydrophobicContact CG1-CE2 3.65Å
50F29Very low30.9Very low187 Ų187142.1 Ų142.182%0.8278%0.776SS**  trans-94.6140.4159.5-106.1-97.4000109.3
51Y28.6Very low30.7Very low225 Ų225138.8 Ų138.888%0.88277%0.768SS**  trans-137.5127.7144.2-81.6-76.4000108.6V49V49-Y51 HydrophobicContact CG1-CD2 3.57Å; V49-Y51 HydrophobicContact CG1-CE2 3.65Å
52G30Very low30.1Very low62 Ų62139.5 Ų139.564%0.63976%0.764SS**  trans-137.5152.2160.900000108.2
53T27.5Very low30.1Very low145 Ų145142 Ų14289%0.8977%0.768SS**  trans-161.4149.9148.223.90000108.4
54A31.9Very low30Very low72 Ų72144.5 Ų144.560%0.59577%0.767SS**  trans-77.8171.2173.800000111.4
55Y28.4Very low30Very low211 Ų211146.1 Ų146.183%0.82777%0.773SS**  169.1155.7102.2-86.7-67.6000112.3
56H29.5Very low30.2Very low177 Ų177144.9 Ų144.982%0.81977%0.765SS**  trans72.5113.6157.3-104.6-82.3000122.3
57S29.2Very low30.5Very low102 Ų102150.1 Ų150.171%0.71377%0.77SS**  trans-77.4159.8146.6-31.10000109.4
58P41.4Very low31Very low104 Ų104143.9 Ų143.968%0.67576%0.76SS**  -153.5156.172.538.3-17.8000118.4
59I33.7Very low31.4Very low155 Ų155144.8 Ų144.880%0.79576%0.759SS**  trans69145.4140.3-64.8166.9000120.5
60V30.7Very low31.8Very low119 Ų119143.2 Ų143.272%0.72175%0.753SS**  trans72.1121.4169.9-75.30000123.7
61N28.3Very low32.4Very low132 Ų132141.7 Ų141.771%0.70675%0.751SS**  trans82.9106.7137.5-64.7-5.2000122.2
62N31.3Very low32.9Very low143 Ų143135.5 Ų135.577%0.76574%0.741SS**  47.590.5127.1-62.3-14.9000119.1
63L32.1Very low33.4Very low166 Ų166137.9 Ų137.987%0.86974%0.743SS**  -162.787.4116.8-131.772.6000110C65L63-C65 VanDerWaalsContact C-N 3.31Å; L63-C65 PolarHBondContact O-N 3.43Å
64F28.4Very low33.6Very low194 Ų194137 Ų13785%0.85173%0.733SS**  trans-75.890.4173.1-140.6-88.7000108.8T66F64-T66 HydrophobicContact CD1-CG2 4.24Å; F64-T66 PolarHBondContact O-N 3.48Å
65C29.4Very low34Very low113 Ų113139 Ų13976%0.76474%0.738SS**  trans-68.286.3176.4-1620000108.9L63 R67L63-C65 VanDerWaalsContact C-N 3.31Å; L63-C65 PolarHBondContact O-N 3.43Å; C65-R67 VanDerWaalsContact C-N 3.32Å; C65-R67 PolarHBondContact O-N 2.73Å
66T36.5Very low34.2Very low115 Ų115139.3 Ų139.371%0.70674%0.738SS**  trans-65.993.6173.143.90000108.1F64 S68F64-T66 HydrophobicContact CD1-CG2 4.24Å; F64-T66 PolarHBondContact O-N 3.48Å; T66-S68 PolarHBondContact O-N 3.21Å
67R32.6Very low34.7Very low205 Ų205138.7 Ų138.777%0.77474%0.739SS**  trans-69.473.9172.8-168.9179.1-177.6178.34.2109.8C65 R69C65-R67 VanDerWaalsContact C-N 3.32Å; C65-R67 PolarHBondContact O-N 2.73Å; R67-R69 PolarHBondContact O-N 2.9Å
68S38.7Very low35Very low90 Ų90144.8 Ų144.863%0.62975%0.747SS**  trans-52.6109.5165.3178.20000108.1T66 S70T66-S68 PolarHBondContact O-N 3.21Å; S68-S70 PolarHBondContact O-N 2.91Å; S68-S70 PolarHBondContact OG-N 3.47Å
69R35.7Very low34.9Very low207 Ų207145 Ų14578%0.78175%0.75SS**  trans-84.672.9158.9-76.3-172.1173.3-172.8-1.6107.4R67 I71R67-R69 PolarHBondContact O-N 2.9Å; R69-I71 PolarHBondContact O-N 3.4Å; R69-I71 VanDerWaalsContact O-N 3.14Å
70S34.8Very low35.2Very low84 Ų84146.6 Ų146.659%0.58775%0.752SS**  trans-60.9110.9164.850.30000108.4S68 S72S68-S70 PolarHBondContact O-N 2.91Å; S68-S70 PolarHBondContact OG-N 3.47Å; S70-S72 PolarHBondContact O-N 3.42Å
71I42.1Very low35.3Very low154 Ų154143.9 Ų143.979%0.7975%0.748SS**  trans-77.385168-59.2176.7000106.5R69 V73R69-I71 PolarHBondContact O-N 3.4Å; R69-I71 VanDerWaalsContact O-N 3.14Å; I71-V73 HydrophobicContact CG2-CG2 4.28Å; I71-V73 PolarHBondContact O-N 2.72Å
72S39.2Very low35.7Very low95 Ų95147 Ų14766%0.66476%0.758SS**  trans-70.8106.1168.8-62.10000108.3S70 D74S70-S72 PolarHBondContact O-N 3.42Å; S72-D74 VanDerWaalsContact C-N 3.27Å; S72-D74 PolarHBondContact O-N 2.86Å
73V40Very low36Very low113 Ų113149 Ų14969%0.68576%0.763SS**  trans-76.886.3169.8-178.40000107.4I71 T75I71-V73 HydrophobicContact CG2-CG2 4.28Å; I71-V73 PolarHBondContact O-N 2.72Å; V73-T75 VanDerWaalsContact C-N 3.26Å; V73-T75 PolarHBondContact O-N 3.32Å
74D32Very low36.6Very low126 Ų126151.1 Ų151.167%0.67477%0.765SS**  trans-79.375.3-178.3-152.2-13.5000109.9S72 R76S72-D74 VanDerWaalsContact C-N 3.27Å; S72-D74 PolarHBondContact O-N 2.86Å; D74-R76 PolarHBondContact O-N 3.37Å
75T40.9Very low37.1Very low115 Ų115149.5 Ų149.571%0.70677%0.766SS**  trans-68.282171.321.70000110V73 L77V73-T75 VanDerWaalsContact C-N 3.26Å; V73-T75 PolarHBondContact O-N 3.32Å; T75-L77 PolarHBondContact O-N 3.42Å
76R32.6Very low37.5Very low216 Ų216147.5 Ų147.582%0.81576%0.764SS**  trans-65.283.6167.1-75.7-166.1179.6-151.81.5110.6D74 R78D74-R76 PolarHBondContact O-N 3.37Å; R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.43Å
77L40Very low37.3Very low164 Ų164145.8 Ų145.886%0.85977%0.769SS**  trans-62.295.7160.1-76.6169.8000108.2T75 S79T75-L77 PolarHBondContact O-N 3.42Å; L77-S79 PolarHBondContact O-N 3.14Å
78R35.3Very low37.7Very low231 Ų231145.1 Ų145.187%0.87278%0.775SS**  trans-71.874170.4-173.3-178.5174-168.2-0.4109.1R76 K80R76-R78 VanDerWaalsContact C-N 3.31Å; R76-R78 PolarHBondContact O-N 3.43Å; R78-K80 PolarHBondContact O-N 3.41Å
79S38.4Very low37.8Very low107 Ų107147.4 Ų147.475%0.74879%0.785SS**  trans-52.9121.7158.51690000107.8L77L77-S79 PolarHBondContact O-N 3.14Å
80K40.2Very low38.3Very low189 Ų189142.6 Ų142.682%0.82278%0.783SS**  trans-96.896172.5-167.5-174.5-178.6-166.70106.1R78R78-K80 PolarHBondContact O-N 3.41Å
81G32.6Very low38.8Very low63 Ų63144 Ų14465%0.64979%0.788SS**  trans-59.4139.4179.600000111.6
82E38Very low38.8Very low196 Ų196142.7 Ų142.792%0.91679%0.79SS**  trans-88100162.3-69.4-169.2152.600108
83E36.5Very low39.1Very low187 Ų187148.8 Ų148.887%0.87480%0.798SS**  trans-85.8116.2170.2-172.3168-163.700108.1
84K44.6Very low39.5Very low209 Ų209152.8 Ų152.891%0.90981%0.809SS**  trans-90.1111.4168.7-80.9-173.3176.7-179.30108.6
85D38.4Very low40.3Very low160 Ų160149.4 Ų149.486%0.85680%0.804SS**  trans-134.4155.7151.3-161.711.4000110
86G38.9Very low40.9Very low71 Ų71148.8 Ų148.873%0.73280%0.802SS**  trans-83.6173.9-16500000115.3
87G32.5Very low41.8Very low79 Ų79141.8 Ų141.881%0.81479%0.786SS**  trans143.8115.7175.100000111.8
88Q41.2Very low42.4Very low191 Ų191139.6 Ų139.689%0.89378%0.78SS**  trans-71.2145.3174.9-60.4172.75.500110.5
89V39.1Very low43.4Very low138 Ų138131.1 Ų131.184%0.83676%0.759SS**  170.7145.2124.2155.10000110.2
90S46.7Very low44.2Very low106 Ų106131.4 Ų131.474%0.74175%0.748SS**  trans-76.7124.2-166.349.80000116.4
91V45Very low45.1Very low113 Ų113128.9 Ų128.969%0.68574%0.737SS**  trans-148.1126147.2-175.10000109.6R93V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 2.84Å
92P42.6Very low46.2Very low128 Ų128130.9 Ų130.983%0.83174%0.736SS**  trans-78.681.5172.532.6-33.4000110.4Q94P92-Q94 PolarHBondContact O-N 2.92Å
93R45.3Very low47.2Very low223 Ų223129 Ų12984%0.84273%0.725SS**  trans-69.8117165.8-95.8-172.7170.5100.7-0.4108.7V91 G95V91-R93 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 2.84Å; R93-G95 PolarHBondContact O-N 2.87Å
94Q48.8Very low48.3Very low197 Ų197125.4 Ų125.492%0.92171%0.709SS**  trans-50.5111.8171.9-70171.1-14.700109.3P92P92-Q94 PolarHBondContact O-N 2.92Å
95G49.4Very low49.2Very low55 Ų55118.1 Ų118.157%0.56769%0.687SS**  trans-60.5152172.600000110.1R93 S97R93-G95 PolarHBondContact O-N 2.87Å; G95-S97 PolarHBondContact O-N 2.89Å
96P52.5Low50.6Low101 Ų101112.3 Ų112.366%0.65667%0.665SS**  trans-58.5113177.525.2-33000108.5T98P96-T98 PolarHBondContact O-N 3.35Å
97S51Low52.2Low70 Ų70115.1 Ų115.149%0.4966%0.657SS.*  trans-46.7141.6177.9168.90000109.8G95 A99 H100G95-S97 PolarHBondContact O-N 2.89Å; S97-A99 PolarHBondContact O-N 2.62Å; S97-A99 PolarHBondContact OG-N 2.88Å; S97-H100 WeakPolarHBondContact O-CB 3.39Å; S97-H100 PolarHBondContact O-N 2.8Å
98T54.3Low54.2Low118 Ų118116.1 Ų116.172%0.72464%0.644SS**Hα-helixtrans-48.6-31.9178.446.60000112P96 H100 K101 V102P96-T98 PolarHBondContact O-N 3.35Å; T98-H100 VanDerWaalsContact C-N 3.3Å; T98-H100 PolarHBondContact O-N 3.29Å; T98-K101 WeakPolarHBondContact O-CB 3.31Å; T98-K101 PolarHBondContact O-N 2.86Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 2.84Å; T98-V102 VanDerWaalsContact O-N 3.14Å
99A55.8Low56.2Low52 Ų52113.3 Ų113.343%0.4363%0.629SS.*Hα-helixtrans-55.4-33.5172.600000115.3S97 K103S97-A99 PolarHBondContact O-N 2.62Å; S97-A99 PolarHBondContact OG-N 2.88Å; A99-K103 PolarHBondContact O-N 2.86Å; A99-K103 VanDerWaalsContact O-N 3.1Å
100H55.8Low58.5Low113 Ų113110.5 Ų110.552%0.52361%0.613SS.*Hα-helixtrans-70.9-39.4174.9-81.1-97.8000111.8S97 T98 V102 K103 E104S97-H100 WeakPolarHBondContact O-CB 3.39Å; S97-H100 PolarHBondContact O-N 2.8Å; T98-H100 VanDerWaalsContact C-N 3.3Å; T98-H100 PolarHBondContact O-N 3.29Å; H100-V102 VanDerWaalsContact C-N 3.32Å; H100-V102 PolarHBondContact O-N 2.95Å; H100-K103 PolarHBondContact O-N 2.94Å; H100-E104 WeakPolarHBondContact O-CG 3.29Å; H100-E104 PolarHBondContact O-N 3.17Å
101K58Low60.5Low136 Ų136112.6 Ų112.659%0.59161%0.605SS**Hα-helixtrans-61.3-39174.1-70.5-82.5-178.5174.40111.8T98 E104 A105T98-K101 WeakPolarHBondContact O-CB 3.31Å; T98-K101 PolarHBondContact O-N 2.86Å; T98-K101 VanDerWaalsContact O-N 3.09Å; K101-E104 PolarHBondContact O-N 3.22Å; K101-A105 PolarHBondContact O-N 3.14Å
102V56.5Low62.7Low105 Ų105112.3 Ų112.364%0.63660%0.599SS**Hα-helixtrans-68.2-39.4174.7-1640000111.6T98 H100 E104 A105 G106T98-V102 WeakPolarHBondContact O-CG2 3.47Å; T98-V102 PolarHBondContact O-N 2.84Å; T98-V102 VanDerWaalsContact O-N 3.14Å; H100-V102 VanDerWaalsContact C-N 3.32Å; H100-V102 PolarHBondContact O-N 2.95Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 2.89Å; V102-A105 PolarHBondContact O-N 2.89Å; V102-G106 PolarHBondContact O-N 3.29Å; V102-G106 VanDerWaalsContact O-N 3.13Å
103K58.5Low65.1Low157 Ų157109.5 Ų109.568%0.68358%0.577SS**Hα-helixtrans-64.9-33.7174.9-80.7-176.5174.2179.80113.3A99 H100A99-K103 PolarHBondContact O-N 2.86Å; A99-K103 VanDerWaalsContact O-N 3.1Å; H100-K103 PolarHBondContact O-N 2.94Å
104E60.5Low67.5Low112 Ų112103.3 Ų103.352%0.52356%0.563SS.*Hα-helixtrans-69.1-48.4173.9-73.5172.4170.200111H100 K101 V102 G106 K107H100-E104 WeakPolarHBondContact O-CG 3.29Å; H100-E104 PolarHBondContact O-N 3.17Å; K101-E104 PolarHBondContact O-N 3.22Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-E104 PolarHBondContact O-N 2.89Å; E104-G106 VanDerWaalsContact C-N 3.26Å; E104-G106 PolarHBondContact O-N 3.32Å; E104-K107 WeakPolarHBondContact O-CB 3.33Å; E104-K107 PolarHBondContact O-N 3.3Å
105A61.9Low69.7Low55 Ų5598 Ų9846%0.45554%0.544SS..Hα-helixtrans-58.4-33.3178.100000113.8K101 V102 K107 D108 F109K101-A105 PolarHBondContact O-N 3.14Å; V102-A105 PolarHBondContact O-N 2.89Å; A105-K107 VanDerWaalsContact C-N 3.25Å; A105-K107 PolarHBondContact O-N 3.38Å; A105-D108 PolarHBondContact O-N 3.33Å; A105-F109 PolarHBondContact O-N 3Å; A105-F109 VanDerWaalsContact O-N 3.13Å
106G68.2Low72Confident39 Ų39101 Ų10140%0.40255%0.547SS..Hα-helixtrans-64.1-26.1174.700000114.3V102 E104 T110V102-G106 PolarHBondContact O-N 3.29Å; V102-G106 VanDerWaalsContact O-N 3.13Å; E104-G106 VanDerWaalsContact C-N 3.26Å; E104-G106 PolarHBondContact O-N 3.32Å; G106-T110 PolarHBondContact O-N 2.84Å; G106-T110 PolarHBondContact O-OG1 2.85Å
107K72.3Confident74.1Confident129 Ų129101.2 Ų101.256%0.56154%0.541SS*.Hα-helixtrans-74.8-41.6175.8-62.8179.765.8175.10111E104 A105 F109 T110 Y111E104-K107 WeakPolarHBondContact O-CB 3.33Å; E104-K107 PolarHBondContact O-N 3.3Å; A105-K107 VanDerWaalsContact C-N 3.25Å; A105-K107 PolarHBondContact O-N 3.38Å; K107-F109 VanDerWaalsContact C-N 3.33Å; K107-F109 PolarHBondContact O-N 3.42Å; K107-T110 WeakPolarHBondContact O-CB 3.32Å; K107-T110 PolarHBondContact O-N 2.82Å; K107-T110 VanDerWaalsContact O-N 3.1Å; K107-Y111 WeakPolarHBondContact O-CD2 3.33Å; K107-Y111 PolarHBondContact O-N 3.32Å
108D75.4Confident76.3Confident101 Ų10199.5 Ų99.554%0.5454%0.535SS..Hα-helixtrans-63.6-40177.4-64.2-21.6000111.5A105 T110 Y111 L112A105-D108 PolarHBondContact O-N 3.33Å; D108-T110 VanDerWaalsContact C-N 3.27Å; D108-T110 PolarHBondContact O-N 3.49Å; D108-Y111 PolarHBondContact O-N 2.88Å; D108-L112 WeakPolarHBondContact O-CG 3.43Å; D108-L112 PolarHBondContact O-N 3.47Å
109F83.6Confident78.3Confident131 Ų13199.4 Ų99.458%0.57553%0.529SS*.Hα-helixtrans-58.7-37.5172.5-172-113.1000112.9A105 K107 L112 I113A105-F109 PolarHBondContact O-N 3Å; A105-F109 VanDerWaalsContact O-N 3.13Å; K107-F109 VanDerWaalsContact C-N 3.33Å; K107-F109 PolarHBondContact O-N 3.42Å; F109-L112 PolarHBondContact O-N 3.01Å; F109-I113 HydrophobicContact CD1-CD1 3.68Å; F109-I113 HydrophobicContact CD1-CG1 4.5Å; F109-I113 HydrophobicContact CE1-CD1 3.44Å; F109-I113 VanDerWaalsContact CE1-CD1 3.44Å; F109-I113 HydrophobicContact CE1-CG1 4.27Å; F109-I113 HydrophobicContact CG-CD1 4.44Å; F109-I113 HydrophobicContact CZ-CD1 3.99Å; F109-I113 HydrophobicContact CZ-CG1 4.38Å; F109-I113 WeakPolarHBondContact O-CG1 3.14Å; F109-I113 PolarHBondContact O-N 2.66Å
110T85.9Confident80.3Confident80 Ų8099.3 Ų99.349%0.49153%0.533SS..Hα-helixtrans-65-42.9176.7-55.40000111.5G106 K107 D108 I113 V114G106-T110 PolarHBondContact O-N 2.84Å; G106-T110 PolarHBondContact O-OG1 2.85Å; K107-T110 WeakPolarHBondContact O-CB 3.32Å; K107-T110 PolarHBondContact O-N 2.82Å; K107-T110 VanDerWaalsContact O-N 3.1Å; D108-T110 VanDerWaalsContact C-N 3.27Å; D108-T110 PolarHBondContact O-N 3.49Å; T110-I113 PolarHBondContact O-N 3Å; T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 3.26Å; T110-V114 VanDerWaalsContact O-N 3.15Å
111Y89.3Confident82.3Confident149 Ų14998.8 Ų98.858%0.58454%0.538SS*.Hα-helixtrans-65.5-39.6175.4-64.2-60.3000112.2K107 D108 I113 V114 V115K107-Y111 WeakPolarHBondContact O-CD2 3.33Å; K107-Y111 PolarHBondContact O-N 3.32Å; D108-Y111 PolarHBondContact O-N 2.88Å; Y111-I113 PolarHBondContact O-N 2.8Å; Y111-V114 PolarHBondContact O-N 3.28Å; Y111-V115 WeakPolarHBondContact O-CG2 3.37Å; Y111-V115 PolarHBondContact O-N 2.93Å
112L92.1Very high84.1Confident107 Ų10796.3 Ų96.356%0.5653%0.534SS*.Hα-helixtrans-61.2-42.6174.7-69.8177.6000112.2D108 F109 V114 V115 L116D108-L112 WeakPolarHBondContact O-CG 3.43Å; D108-L112 PolarHBondContact O-N 3.47Å; F109-L112 PolarHBondContact O-N 3.01Å; L112-V114 PolarHBondContact O-N 3.07Å; L112-V115 PolarHBondContact O-N 3.38Å; L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.2Å
113I93Very high86Confident70 Ų7093.1 Ų93.136%0.35952%0.523SS..Hα-helixtrans-58.5-48.1174.6-71.1163.6000110.9F109 T110 Y111 V115 L116 I117F109-I113 HydrophobicContact CD1-CD1 3.68Å; F109-I113 HydrophobicContact CD1-CG1 4.5Å; F109-I113 HydrophobicContact CE1-CD1 3.44Å; F109-I113 VanDerWaalsContact CE1-CD1 3.44Å; F109-I113 HydrophobicContact CE1-CG1 4.27Å; F109-I113 HydrophobicContact CG-CD1 4.44Å; F109-I113 HydrophobicContact CZ-CD1 3.99Å; F109-I113 HydrophobicContact CZ-CG1 4.38Å; F109-I113 WeakPolarHBondContact O-CG1 3.14Å; F109-I113 PolarHBondContact O-N 2.66Å; T110-I113 PolarHBondContact O-N 3Å; Y111-I113 PolarHBondContact O-N 2.8Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 PolarHBondContact O-N 3.1Å; I113-L116 PolarHBondContact O-N 3.33Å; I113-I117 HydrophobicContact CG2-CD1 3.7Å; I113-I117 HydrophobicContact CG2-CG1 4.4Å; I113-I117 WeakPolarHBondContact O-CG1 3.45Å; I113-I117 PolarHBondContact O-N 3.39Å
114V94.4Very high87.7Confident93 Ų9387.3 Ų87.356%0.56451%0.507SS*.Hα-helixtrans-62.2-41.1-179.5173.80000111.3T110 Y111 L112 I117 G118T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 3.26Å; T110-V114 VanDerWaalsContact O-N 3.15Å; Y111-V114 PolarHBondContact O-N 3.28Å; L112-V114 PolarHBondContact O-N 3.07Å; V114-I117 PolarHBondContact O-N 3.1Å; V114-G118 PolarHBondContact O-N 3Å
115V95.5Very high89.4Confident85 Ų8587.7 Ų87.752%0.51551%0.512SS..Hα-helixtrans-64.7-43.2175.9169.70000111.7Y111 L112 I113 G118 L119Y111-V115 WeakPolarHBondContact O-CG2 3.37Å; Y111-V115 PolarHBondContact O-N 2.93Å; L112-V115 PolarHBondContact O-N 3.38Å; I113-V115 VanDerWaalsContact C-N 3.33Å; I113-V115 PolarHBondContact O-N 3.1Å; V115-G118 PolarHBondContact O-N 2.9Å; V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.45Å; V115-L119 PolarHBondContact O-N 3.19Å
116L96.6Very high90.9Very high119 Ų11989.4 Ų89.462%0.62351%0.513SS*.Hα-helixtrans-63.9-40.5176.9-73.1171.8000112.2L112 I113 L119 G120L112-L116 WeakPolarHBondContact O-CB 3.37Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.43Å; L112-L116 PolarHBondContact O-N 3.2Å; I113-L116 PolarHBondContact O-N 3.33Å; L116-L119 PolarHBondContact O-N 2.81Å; L116-G120 PolarHBondContact O-N 3.45Å
117I96.9Very high91.9Very high104 Ų10494.6 Ų94.653%0.53352%0.522SS..Hα-helixtrans-63.4-45.4174.1-67.7167.4000110.3I113 V114 L119 G120 V121I113-I117 HydrophobicContact CG2-CD1 3.7Å; I113-I117 HydrophobicContact CG2-CG1 4.4Å; I113-I117 WeakPolarHBondContact O-CG1 3.45Å; I113-I117 PolarHBondContact O-N 3.39Å; V114-I117 PolarHBondContact O-N 3.1Å; I117-L119 PolarHBondContact O-N 3.13Å; I117-G120 PolarHBondContact O-N 3.02Å; I117-V121 HydrophobicContact CG2-CG2 4.44Å; I117-V121 WeakPolarHBondContact O-CG2 3.41Å; I117-V121 PolarHBondContact O-N 2.97Å
118G96.9Very high92.8Very high35 Ų3592.9 Ų92.936%0.36152%0.522SS..Hα-helixtrans-59.8-44.8177.500000113V114 V115 T122V114-G118 PolarHBondContact O-N 3Å; V115-G118 PolarHBondContact O-N 2.9Å; G118-T122 VanDerWaalsContact O-CB 3.26Å; G118-T122 WeakPolarHBondContact O-CB 3.48Å; G118-T122 PolarHBondContact O-N 2.87Å; G118-T122 PolarHBondContact O-OG1 3.45Å
119L97.4Very high93.4Very high115 Ų11591.5 Ų91.560%0.60252%0.517SS*.Hα-helixtrans-64.9-40.3173.7-81.8164.2000112.4V115 L116 I117 G123V115-L119 HydrophobicContact CG1-CD1 3.99Å; V115-L119 WeakPolarHBondContact O-CB 3.45Å; V115-L119 PolarHBondContact O-N 3.19Å; L116-L119 PolarHBondContact O-N 2.81Å; I117-L119 PolarHBondContact O-N 3.13Å; L119-G123 WeakPolarHBondContact O-CA 3.35Å; L119-G123 PolarHBondContact O-N 3.5Å
120G97.4Very high93.4Very high50 Ų5090.9 Ų90.952%0.51551%0.514SS..Hα-helixtrans-63.3-47177.700000112.9L116 I117 G124L116-G120 PolarHBondContact O-N 3.45Å; I117-G120 PolarHBondContact O-N 3.02Å; G120-G124 PolarHBondContact O-N 3.03Å
121V97.1Very high93.1Very high102 Ų10291.8 Ų91.862%0.61851%0.513SS*.Hα-helixtrans-66.6-46.3177.6174.80000111.1I117 L125I117-V121 HydrophobicContact CG2-CG2 4.44Å; I117-V121 WeakPolarHBondContact O-CG2 3.41Å; I117-V121 PolarHBondContact O-N 2.97Å; V121-L125 WeakPolarHBondContact O-CB 3.02Å; V121-L125 PolarHBondContact O-N 3.45Å
122T96.3Very high92.5Very high85 Ų8592 Ų9252%0.52152%0.519SS..Hα-helixtrans-67-46-178.8-52.60000111.3G118 L125 L126G118-T122 VanDerWaalsContact O-CB 3.26Å; G118-T122 WeakPolarHBondContact O-CB 3.48Å; G118-T122 PolarHBondContact O-N 2.87Å; G118-T122 PolarHBondContact O-OG1 3.45Å; T122-L125 PolarHBondContact O-N 3.09Å; T122-L126 HydrophobicContact CG2-CD1 4.15Å; T122-L126 WeakPolarHBondContact O-CB 2.97Å; T122-L126 VanDerWaalsContact O-CG 3.31Å; T122-L126 WeakPolarHBondContact O-CG 3.11Å; T122-L126 PolarHBondContact O-N 3.5Å
123G96.4Very high91.6Very high38 Ų3892.3 Ų92.339%0.39252%0.521SS..Hα-helixtrans-64.8-40.6177.100000112.7L119 Y127L119-G123 WeakPolarHBondContact O-CA 3.35Å; L119-G123 PolarHBondContact O-N 3.5Å; G123-Y127 VanDerWaalsContact O-CB 3.22Å; G123-Y127 WeakPolarHBondContact O-CB 3.35Å; G123-Y127 PolarHBondContact O-N 3.36Å
124G95.8Very high90.1Very high35 Ų3594.7 Ų94.736%0.36153%0.529SS..Hα-helixtrans-63.7-44.8175.600000113.1G120 Y127 V128G120-G124 PolarHBondContact O-N 3.03Å; G124-Y127 PolarHBondContact O-N 2.96Å; G124-V128 WeakPolarHBondContact O-CG2 3.43Å; G124-V128 PolarHBondContact O-N 3.4Å; G124-V128 VanDerWaalsContact O-N 3.15Å
125L94.8Very high88.8Confident120 Ų12092.4 Ų92.463%0.62852%0.517SS*.Hα-helixtrans-64.1-46.3176.3179.661.1000111.6V121 T122 Y127 V128 V129V121-L125 WeakPolarHBondContact O-CB 3.02Å; V121-L125 PolarHBondContact O-N 3.45Å; T122-L125 PolarHBondContact O-N 3.09Å; L125-Y127 VanDerWaalsContact C-N 3.34Å; L125-Y127 PolarHBondContact O-N 2.82Å; L125-V128 PolarHBondContact O-N 3.03Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.24Å
126L93.3Very high87.2Confident91 Ų9190.1 Ų90.148%0.47651%0.505SS..Hα-helixtrans-59.7-45.2175.3-74173.7000111.1T122 V128 V129 F130T122-L126 HydrophobicContact CG2-CD1 4.15Å; T122-L126 WeakPolarHBondContact O-CB 2.97Å; T122-L126 VanDerWaalsContact O-CG 3.31Å; T122-L126 WeakPolarHBondContact O-CG 3.11Å; T122-L126 PolarHBondContact O-N 3.5Å; L126-V128 PolarHBondContact O-N 3.43Å; L126-V129 PolarHBondContact O-N 3.48Å; L126-F130 HydrophobicContact CB-CD2 4.1Å; L126-F130 HydrophobicContact CB-CE2 4.14Å; L126-F130 HydrophobicContact CD2-CE2 4.19Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CD2 3.4Å; L126-F130 PolarHBondContact O-N 2.92Å
127Y90.5Very high85.8Confident147 Ų14785.9 Ų85.958%0.57649%0.485SS*.Hα-helixtrans-56.5-45.8179.5178.6-93.8000112.5G123 G124 L125 F130 Q131G123-Y127 VanDerWaalsContact O-CB 3.22Å; G123-Y127 WeakPolarHBondContact O-CB 3.35Å; G123-Y127 PolarHBondContact O-N 3.36Å; G124-Y127 PolarHBondContact O-N 2.96Å; L125-Y127 VanDerWaalsContact C-N 3.34Å; L125-Y127 PolarHBondContact O-N 2.82Å; Y127-F130 PolarHBondContact O-N 3.46Å; Y127-Q131 HydrophobicContact CD1-CG 4.15Å; Y127-Q131 HydrophobicContact CE1-CG 3.76Å; Y127-Q131 HydrophobicContact CE2-CG 4.18Å; Y127-Q131 VanDerWaalsContact CZ-NE2 3.35Å; Y127-Q131 WeakPolarHBondContact O-CB 2.95Å; Y127-Q131 WeakPolarHBondContact O-CG 3.27Å; Y127-Q131 PolarHBondContact O-N 3.19Å; Y127-Q131 PolarHBondContact OH-NE2 3.35Å
128V90.4Very high85Confident94 Ų9481.6 Ų81.657%0.5746%0.464SS*.Hα-helixtrans-62.4-45.6177.8173.90000111.1G124 L125 L126 Q131 E132G124-V128 WeakPolarHBondContact O-CG2 3.43Å; G124-V128 PolarHBondContact O-N 3.4Å; G124-V128 VanDerWaalsContact O-N 3.15Å; L125-V128 PolarHBondContact O-N 3.03Å; L126-V128 PolarHBondContact O-N 3.43Å; V128-Q131 PolarHBondContact O-N 3.48Å; V128-E132 PolarHBondContact O-N 2.87Å
129V87.3Confident84.5Confident72 Ų7280.9 Ų80.944%0.43645%0.453SS..Hα-helixtrans-65.9-39.9178.6175.70000111.8L125 L126 E132 L133L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.24Å; L126-V129 PolarHBondContact O-N 3.48Å; V129-E132 PolarHBondContact O-N 2.82Å; V129-L133 HydrophobicContact CG1-CD1 3.78Å; V129-L133 HydrophobicContact CG1-CG 4.38Å; V129-L133 WeakPolarHBondContact O-CB 3.13Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 3.39Å
130F83.4Confident84.1Confident117 Ų11780 Ų8051%0.51345%0.449SS..Hα-helixtrans-65.6-41.2175.2-82.5-64.7000112L126 Y127 L133 F134L126-F130 HydrophobicContact CB-CD2 4.1Å; L126-F130 HydrophobicContact CB-CE2 4.14Å; L126-F130 HydrophobicContact CD2-CE2 4.19Å; L126-F130 WeakPolarHBondContact O-CB 3.29Å; L126-F130 WeakPolarHBondContact O-CD2 3.4Å; L126-F130 PolarHBondContact O-N 2.92Å; Y127-F130 PolarHBondContact O-N 3.46Å; F130-L133 PolarHBondContact O-N 3.21Å; F130-F134 AromaticContact CD1-CD2 3.78Å; F130-F134 HydrophobicContact CD1-CD2 3.78Å; F130-F134 AromaticContact CD1-CE2 3.64Å; F130-F134 HydrophobicContact CD1-CE2 3.64Å; F130-F134 AromaticContact CE1-CE2 3.98Å; F130-F134 HydrophobicContact CE1-CE2 3.98Å; F130-F134 VanDerWaalsContact O-CB 3.31Å; F130-F134 WeakPolarHBondContact O-CB 3.17Å; F130-F134 PolarHBondContact O-N 3.38Å
131Q81.4Confident83.6Confident99 Ų9982.5 Ų82.546%0.46345%0.446SS..Hα-helixtrans-63.5-41.2175.7-75.1-71.22000112Y127 V128 S135Y127-Q131 HydrophobicContact CD1-CG 4.15Å; Y127-Q131 HydrophobicContact CE1-CG 3.76Å; Y127-Q131 HydrophobicContact CE2-CG 4.18Å; Y127-Q131 VanDerWaalsContact CZ-NE2 3.35Å; Y127-Q131 WeakPolarHBondContact O-CB 2.95Å; Y127-Q131 WeakPolarHBondContact O-CG 3.27Å; Y127-Q131 PolarHBondContact O-N 3.19Å; Y127-Q131 PolarHBondContact OH-NE2 3.35Å; V128-Q131 PolarHBondContact O-N 3.48Å; Q131-S135 WeakPolarHBondContact O-CA 3.44Å; Q131-S135 VanDerWaalsContact O-CB 3.32Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.05Å
132E75.7Confident83.3Confident154 Ų15477.9 Ų77.972%0.7242%0.418SS*.Hα-helixtrans-65.1-46.8178-161.468.4-172.100111.6V128 V129 S135V128-E132 PolarHBondContact O-N 2.87Å; V129-E132 PolarHBondContact O-N 2.82Å; E132-S135 WeakPolarHBondContact O-CB 3.21Å
133L74.2Confident83.1Confident113 Ų11375.3 Ų75.359%0.59240%0.399SS*.Hα-helixtrans-78.2-30.1-176.1-66.4176.8000114.6V129 F130 S138V129-L133 HydrophobicContact CG1-CD1 3.78Å; V129-L133 HydrophobicContact CG1-CG 4.38Å; V129-L133 WeakPolarHBondContact O-CB 3.13Å; V129-L133 WeakPolarHBondContact O-CG 3.42Å; V129-L133 PolarHBondContact O-N 3.39Å; F130-L133 PolarHBondContact O-N 3.21Å; L133-S138 PolarHBondContact O-OG 3.22Å
134F60.7Low83Confident120 Ų12076.3 Ų76.353%0.52640%0.4SS..THydrogen-bonded Turntrans-105.415.3178.1-67-93.1000113.3F130F130-F134 AromaticContact CD1-CD2 3.78Å; F130-F134 HydrophobicContact CD1-CD2 3.78Å; F130-F134 AromaticContact CD1-CE2 3.64Å; F130-F134 HydrophobicContact CD1-CE2 3.64Å; F130-F134 AromaticContact CE1-CE2 3.98Å; F130-F134 HydrophobicContact CE1-CE2 3.98Å; F130-F134 VanDerWaalsContact O-CB 3.31Å; F130-F134 WeakPolarHBondContact O-CB 3.17Å; F130-F134 PolarHBondContact O-N 3.38Å
135S67.6Low82.8Confident46 Ų4679.8 Ų79.832%0.32241%0.405SS..SBendtrans-50.5166165.7-172.30000111.6Q131 E132 S137 S138Q131-S135 WeakPolarHBondContact O-CA 3.44Å; Q131-S135 VanDerWaalsContact O-CB 3.32Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.05Å; E132-S135 WeakPolarHBondContact O-CB 3.21Å; S135-S137 PolarHBondContact O-N 3.42Å; S135-S138 PolarHBondContact O-N 3.15Å
136S61.3Low82.8Confident36 Ų3674 Ų7425%0.25238%0.375SS..THydrogen-bonded Turntrans-46.4-32.3178.145.70000113S138 G220S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 3.21Å; S136-G220 PolarHBondContact OG-O 3.34Å
137S66.6Low82.9Confident30 Ų3071.1 Ų71.121%0.2136%0.359CS..THydrogen-bonded Turntrans-65.6-4.2178.4-60.80000118.1S135S135-S137 PolarHBondContact O-N 3.42Å
138S81.3Confident83.1Confident14 Ų1468.3 Ų68.310%0.09835%0.354CS..  trans-75.9128.7-174.5-168.40000114L133 S135 S136 N140 K141 V142L133-S138 PolarHBondContact O-OG 3.22Å; S135-S138 PolarHBondContact O-N 3.15Å; S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 3.21Å; S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact O-N 3.15Å; S138-K141 WeakPolarHBondContact O-CB 3.36Å; S138-K141 PolarHBondContact O-N 2.84Å; S138-K141 VanDerWaalsContact O-N 3.1Å; S138-V142 PolarHBondContact O-N 3.05Å
139P86.3Confident83.3Confident20 Ų2067.8 Ų67.813%0.1334%0.344CS..Hα-helixtrans-54.9-38.2179.4-26.131.9000114.2K141 V142 Y143 H181 M192 L194P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.42Å; P139-V142 PolarHBondContact O-N 3.22Å; P139-Y143 WeakPolarHBondContact O-CB 3.46Å; P139-Y143 PolarHBondContact O-N 3.33Å; P139-H181 HydrophobicContact CB-CB 4.3Å; P139-M192 HydrophobicContact CB-SD 3.89Å; P139-M192 HydrophobicContact CG-SD 3.73Å; P139-L194 WeakPolarHBondContact O-CD2 3.39Å
140N87.8Confident83.7Confident97 Ų9764.4 Ų64.452%0.51932%0.323SS..Hα-helixtrans-64.4-35.7-179-68.9-23.7000112.3S138 S144S138-N140 VanDerWaalsContact C-N 3.28Å; S138-N140 PolarHBondContact O-N 3.15Å; N140-S144 PolarHBondContact O-N 3.02Å; N140-S144 PolarHBondContact O-OG 3.43Å; N140-S144 VanDerWaalsContact O-OG 3.13Å
141K88.4Confident84.2Confident102 Ų10264.1 Ų64.144%0.44332%0.319SS..Hα-helixtrans-70.5-38.7179.8-169.4175.7-170.6168.80111.4S138 P139 K145S138-K141 WeakPolarHBondContact O-CB 3.36Å; S138-K141 PolarHBondContact O-N 2.84Å; S138-K141 VanDerWaalsContact O-N 3.1Å; P139-K141 VanDerWaalsContact C-N 3.31Å; P139-K141 PolarHBondContact O-N 3.42Å; K141-K145 WeakPolarHBondContact O-CG 3.45Å; K141-K145 PolarHBondContact O-N 3.03Å
142V91Very high84.8Confident5 Ų565.9 Ų65.93%0.0333%0.331CS..Hα-helixtrans-71.2-42.2175.5179.20000110.8S138 P139 K145 A146 M192 L194 L222 F224S138-V142 PolarHBondContact O-N 3.05Å; P139-V142 PolarHBondContact O-N 3.22Å; V142-K145 PolarHBondContact O-N 3.45Å; V142-A146 WeakPolarHBondContact O-CB 3.45Å; V142-A146 PolarHBondContact O-N 3.3Å; V142-M192 HydrophobicContact CB-CE 3.8Å; V142-M192 HydrophobicContact CG1-CE 4.17Å; V142-M192 HydrophobicContact CG2-CE 3.46Å; V142-M192 VanDerWaalsContact CG2-CE 3.46Å; V142-L194 HydrophobicContact CB-CD1 4.25Å; V142-L194 HydrophobicContact CB-CD2 4.43Å; V142-L194 HydrophobicContact CG1-CD1 3.59Å; V142-L194 HydrophobicContact CG1-CD2 4.37Å; V142-L222 HydrophobicContact CG2-CB 4.2Å; V142-L222 HydrophobicContact CG2-CD1 3.91Å; V142-F224 HydrophobicContact CG1-CD1 4.44Å; V142-F224 HydrophobicContact CG1-CE1 3.45Å; V142-F224 VanDerWaalsContact CG1-CE1 3.45Å; V142-F224 HydrophobicContact CG1-CZ 3.87Å
143Y92.2Very high85.8Confident31 Ų3160.4 Ų60.412%0.12231%0.305CS..Hα-helixtrans-55.1-53.4172.6169.1-99000112.6P139 K145 A146 F147 C166 I179 F196P139-Y143 WeakPolarHBondContact O-CB 3.46Å; P139-Y143 PolarHBondContact O-N 3.33Å; Y143-K145 VanDerWaalsContact C-N 3.27Å; Y143-K145 PolarHBondContact O-N 3.21Å; Y143-A146 PolarHBondContact O-N 3.5Å; Y143-A146 VanDerWaalsContact O-N 3.14Å; Y143-F147 WeakPolarHBondContact O-CB 3.4Å; Y143-F147 PolarHBondContact O-N 3.07Å; Y143-C166 VanDerWaalsContact OH-CB 3.3Å; Y143-C166 WeakPolarHBondContact OH-CB 3.41Å; Y143-C166 PolarHBondContact OH-SG 2.89Å; Y143-I179 HydrophobicContact CD1-CD1 3.6Å; Y143-I179 HydrophobicContact CD2-CD1 3.53Å; Y143-I179 HydrophobicContact CD2-CG1 3.77Å; Y143-I179 HydrophobicContact CD2-CG2 4.14Å; Y143-I179 HydrophobicContact CE1-CD1 3.9Å; Y143-I179 HydrophobicContact CE2-CD1 3.82Å; Y143-I179 HydrophobicContact CE2-CG1 3.8Å; Y143-I179 HydrophobicContact CG-CD1 3.38Å; Y143-I179 HydrophobicContact CG-CG1 4.17Å; Y143-F196 HydrophobicContact CD2-CB 4.15Å; Y143-F196 AromaticContact CD2-CD1 3.79Å; Y143-F196 HydrophobicContact CD2-CD1 3.79Å; Y143-F196 HydrophobicContact CD2-CD2 4.27Å; Y143-F196 HydrophobicContact CD2-CE1 4.17Å; Y143-F196 AromaticContact CD2-CG 3.83Å; Y143-F196 HydrophobicContact CD2-CG 3.83Å; Y143-F196 HydrophobicContact CE2-CB 3.73Å; Y143-F196 HydrophobicContact CE2-CD1 4.01Å; Y143-F196 AromaticContact CE2-CD2 3.69Å; Y143-F196 HydrophobicContact CE2-CD2 3.69Å; Y143-F196 HydrophobicContact CE2-CE2 4.22Å; Y143-F196 AromaticContact CE2-CG 3.56Å; Y143-F196 HydrophobicContact CE2-CG 3.56Å
144S92.6Very high86.7Confident60 Ų6059.6 Ų59.642%0.4231%0.306SS..Hα-helixtrans-60.8-37.5-179-61.80000112.2N140 N148N140-S144 PolarHBondContact O-N 3.02Å; N140-S144 PolarHBondContact O-OG 3.43Å; N140-S144 VanDerWaalsContact O-OG 3.13Å; S144-N148 WeakPolarHBondContact O-CB 3.36Å; S144-N148 PolarHBondContact O-N 3.37Å; S144-N148 PolarHBondContact O-ND2 3.5Å; S144-N148 PolarHBondContact O-OD1 3.31Å
145K93.1Very high88.3Confident107 Ų10759.2 Ų59.247%0.46531%0.306SS..Hα-helixtrans-65.6-46.5173.5-76.1179.1172.6-168.80112.4K141 V142 Y143 N148 K149 F224K141-K145 WeakPolarHBondContact O-CG 3.45Å; K141-K145 PolarHBondContact O-N 3.03Å; V142-K145 PolarHBondContact O-N 3.45Å; Y143-K145 VanDerWaalsContact C-N 3.27Å; Y143-K145 PolarHBondContact O-N 3.21Å; K145-N148 PolarHBondContact O-N 3.17Å; K145-K149 PolarHBondContact O-N 3.47Å; K145-F224 HydrophobicContact CB-CE2 3.81Å; K145-F224 HydrophobicContact CB-CZ 3.7Å; K145-F224 HydrophobicContact CD-CE2 4.34Å
146A94.3Very high89.6Confident0 Ų057 Ų570%029%0.291CS..Hα-helixtrans-63.9-42.7179.800000111.6V142 Y143 K149 T150 F196 T211 F224 I227V142-A146 WeakPolarHBondContact O-CB 3.45Å; V142-A146 PolarHBondContact O-N 3.3Å; Y143-A146 PolarHBondContact O-N 3.5Å; Y143-A146 VanDerWaalsContact O-N 3.14Å; A146-K149 PolarHBondContact O-N 3.46Å; A146-T150 WeakPolarHBondContact O-CB 3.48Å; A146-T150 PolarHBondContact O-N 3.04Å; A146-T150 PolarHBondContact O-OG1 3.23Å; A146-F196 HydrophobicContact CB-CE1 4.09Å; A146-F196 HydrophobicContact CB-CZ 4.21Å; A146-T211 HydrophobicContact CB-CG2 4.25Å; A146-F224 HydrophobicContact CB-CE1 3.91Å; A146-F224 HydrophobicContact CB-CZ 4Å; A146-I227 HydrophobicContact CB-CD1 4.31Å
147F95Very high91.1Very high29 Ų2958 Ų5813%0.12729%0.293CS..Hα-helixtrans-63.5-42.4174.4176.6-116.4000112.2Y143 K149 T150 R151 I164 C166 F196Y143-F147 WeakPolarHBondContact O-CB 3.4Å; Y143-F147 PolarHBondContact O-N 3.07Å; F147-K149 PolarHBondContact O-N 2.92Å; F147-T150 WeakPolarHBondContact O-CB 3.32Å; F147-T150 PolarHBondContact O-N 3.32Å; F147-R151 WeakPolarHBondContact O-CB 3.27Å; F147-R151 PolarHBondContact O-N 3.14Å; F147-I164 HydrophobicContact CE2-CG2 4.13Å; F147-C166 HydrophobicContact CD2-CB 3.53Å; F147-C166 HydrophobicContact CE2-CB 3.51Å; F147-C166 HydrophobicContact CG-CB 4.09Å; F147-C166 HydrophobicContact CZ-CB 4.05Å; F147-F196 HydrophobicContact CB-CE2 4.37Å; F147-F196 HydrophobicContact CB-CZ 4.44Å; F147-F196 HydrophobicContact CD2-CE2 4.44Å
148N95.1Very high92.3Very high89 Ų8959.3 Ų59.348%0.47631%0.311SS..Hα-helixtrans-61.9-44.3175.7-72.6-9.7000111.9S144 K145 T150 R151 L152S144-N148 WeakPolarHBondContact O-CB 3.36Å; S144-N148 PolarHBondContact O-N 3.37Å; S144-N148 PolarHBondContact O-ND2 3.5Å; S144-N148 PolarHBondContact O-OD1 3.31Å; K145-N148 PolarHBondContact O-N 3.17Å; N148-T150 VanDerWaalsContact C-N 3.33Å; N148-T150 PolarHBondContact O-N 3.38Å; N148-R151 PolarHBondContact O-N 2.95Å; N148-L152 WeakPolarHBondContact O-CB 3.49Å; N148-L152 VanDerWaalsContact O-CG 3.27Å; N148-L152 WeakPolarHBondContact O-CG 3.32Å; N148-L152 PolarHBondContact O-N 2.95Å; N148-L152 VanDerWaalsContact O-N 3.14Å
149K94.7Very high92.9Very high83 Ų8358.9 Ų58.936%0.36131%0.308SS..Hα-helixtrans-60.4-42.8173.1-72.4-167.5176.3-162.30111.9K145 A146 F147 L152 H153 F224 I227 I241 E242K145-K149 PolarHBondContact O-N 3.47Å; A146-K149 PolarHBondContact O-N 3.46Å; F147-K149 PolarHBondContact O-N 2.92Å; K149-L152 PolarHBondContact O-N 3.02Å; K149-H153 PolarHBondContact O-N 3Å; K149-F224 HydrophobicContact CD-CD2 4.39Å; K149-I227 HydrophobicContact CB-CD1 4.2Å; K149-I227 HydrophobicContact CD-CD1 3.75Å; K149-I241 HydrophobicContact CB-CG2 4.26Å; K149-E242 WeakPolarHBondContact CD-OE2 3.45Å; K149-E242 IonicContact NZ-OE1 3.58Å; K149-E242 PolarHBondContact NZ-OE1 3.48Å; K149-E242 IonicContact NZ-OE2 2.66Å; K149-E242 PolarHBondContact NZ-OE2 2.93Å
150T94.7Very high93.2Very high0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-61.3-46.7177.6-57.90000112A146 F147 N148 L152 H153 V156 I198 V209 V229 I241A146-T150 WeakPolarHBondContact O-CB 3.48Å; A146-T150 PolarHBondContact O-N 3.04Å; A146-T150 PolarHBondContact O-OG1 3.23Å; F147-T150 WeakPolarHBondContact O-CB 3.32Å; F147-T150 PolarHBondContact O-N 3.32Å; N148-T150 VanDerWaalsContact C-N 3.33Å; N148-T150 PolarHBondContact O-N 3.38Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 3.48Å; T150-H153 PolarHBondContact O-N 3.48Å; T150-V156 HydrophobicContact CG2-CG1 3.92Å; T150-V156 HydrophobicContact CG2-CG2 4.48Å; T150-V156 WeakPolarHBondContact O-CB 3.36Å; T150-V156 WeakPolarHBondContact O-CG1 3.42Å; T150-I198 HydrophobicContact CG2-CD1 4.15Å; T150-V209 HydrophobicContact CG2-CG2 4.27Å; T150-V229 HydrophobicContact CG2-CG2 3.88Å; T150-I241 HydrophobicContact CG2-CD1 4.01Å; T150-I241 WeakPolarHBondContact OG1-CD1 3.43Å
151R94.1Very high93.4Very high112 Ų11254.5 Ų54.542%0.42329%0.288SS..Hα-helixtrans-64.4-36.1-179.5178.2179.1171.7-168-3.3112.6F147 N148 H153 I157 E162F147-R151 WeakPolarHBondContact O-CB 3.27Å; F147-R151 PolarHBondContact O-N 3.14Å; N148-R151 PolarHBondContact O-N 2.95Å; R151-H153 VanDerWaalsContact C-N 3.33Å; R151-I157 WeakPolarHBondContact O-CD1 3.33Å; R151-I157 VanDerWaalsContact O-CG1 3.29Å; R151-I157 WeakPolarHBondContact O-CG1 3.37Å; R151-E162 IonicContact NE-OE1 2.75Å; R151-E162 IonicContact NH2-OE1 3.87Å
152L94.6Very high93.5Very high135 Ų13554.5 Ų54.571%0.70729%0.29SS*.Hα-helixtrans-81.7-8.7-177.4-68173.5000113.8N148 K149 T150N148-L152 WeakPolarHBondContact O-CB 3.49Å; N148-L152 VanDerWaalsContact O-CG 3.27Å; N148-L152 WeakPolarHBondContact O-CG 3.32Å; N148-L152 PolarHBondContact O-N 2.95Å; N148-L152 VanDerWaalsContact O-N 3.14Å; K149-L152 PolarHBondContact O-N 3.02Å; T150-L152 VanDerWaalsContact C-N 3.32Å; T150-L152 PolarHBondContact O-N 3.48Å
153H95.6Very high93.6Very high39 Ų3957.7 Ų57.718%0.18131%0.311CS..  trans-79.4123.6-174.6-165.5-101.7000111.4K149 T150 R151 E155 V156 I157 I241K149-H153 PolarHBondContact O-N 3Å; T150-H153 PolarHBondContact O-N 3.48Å; R151-H153 VanDerWaalsContact C-N 3.33Å; H153-E155 VanDerWaalsContact C-N 3.32Å; H153-E155 IonicContact CE1-OE2 3.64Å; H153-E155 PolarHBondContact O-N 3.23Å; H153-V156 HydrophobicContact CB-CB 4.19Å; H153-V156 HydrophobicContact CB-CG2 3.83Å; H153-V156 WeakPolarHBondContact O-CB 3.48Å; H153-V156 PolarHBondContact O-N 3.19Å; H153-I157 WeakPolarHBondContact O-CG1 3.5Å; H153-I157 PolarHBondContact O-N 3.38Å; H153-I241 HydrophobicContact CB-CG1 4.08Å; H153-I241 HydrophobicContact CB-CG2 4.3Å
154P94.6Very high93.7Very high96 Ų9656.8 Ų56.862%0.62331%0.308SS*.Hα-helixtrans-62.4-35.9-170.924-34.2000113.1V156 I157 G158P154-V156 VanDerWaalsContact C-N 3.34Å; P154-V156 PolarHBondContact O-N 3.45Å; P154-I157 PolarHBondContact O-N 2.83Å; P154-G158 PolarHBondContact O-N 3.45Å
155E93.3Very high93.7Very high112 Ų11260 Ų6052%0.52332%0.315SS..Hα-helixtrans-65.4-38.6175.8-57.9-171.7166.600111.9H153 G158 V159 I239H153-E155 VanDerWaalsContact C-N 3.32Å; H153-E155 IonicContact CE1-OE2 3.64Å; H153-E155 PolarHBondContact O-N 3.23Å; E155-G158 PolarHBondContact O-N 3Å; E155-V159 WeakPolarHBondContact O-CG2 3.43Å; E155-V159 PolarHBondContact O-N 3.4Å; E155-I239 HydrophobicContact CB-CG2 3.98Å; E155-I239 WeakPolarHBondContact OE2-CG2 3.3Å
156V94.2Very high93.7Very high0 Ų056.8 Ų56.80%031%0.305CS..Hα-helixtrans-68-43.3178.9-178.70000109.6T150 H153 P154 G158 V159 F160 I164 I198 V229 I239 I241T150-V156 HydrophobicContact CG2-CG1 3.92Å; T150-V156 HydrophobicContact CG2-CG2 4.48Å; T150-V156 WeakPolarHBondContact O-CB 3.36Å; T150-V156 WeakPolarHBondContact O-CG1 3.42Å; H153-V156 HydrophobicContact CB-CB 4.19Å; H153-V156 HydrophobicContact CB-CG2 3.83Å; H153-V156 WeakPolarHBondContact O-CB 3.48Å; H153-V156 PolarHBondContact O-N 3.19Å; P154-V156 VanDerWaalsContact C-N 3.34Å; P154-V156 PolarHBondContact O-N 3.45Å; V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 2.98Å; V156-V159 PolarHBondContact O-N 3.37Å; V156-V159 VanDerWaalsContact O-N 3.09Å; V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 4.15Å; V156-F160 WeakPolarHBondContact O-CD2 3.34Å; V156-F160 PolarHBondContact O-N 3.37Å; V156-I164 HydrophobicContact CG1-CD1 3.96Å; V156-I198 HydrophobicContact CG1-CD1 4.32Å; V156-V229 HydrophobicContact CG2-CG2 4.07Å; V156-I239 HydrophobicContact CG2-CD1 4.31Å; V156-I239 HydrophobicContact CG2-CG2 3.84Å; V156-I241 HydrophobicContact CG2-CD1 4.13Å; V156-I241 HydrophobicContact CG2-CG1 4.1Å
157I93.9Very high93.6Very high56 Ų5657.9 Ų57.929%0.28731%0.31SS..Hα-helixtrans-58-45.6173.3-62.7165.6000110.3R151 H153 P154 V159 F160 G161 E162R151-I157 WeakPolarHBondContact O-CD1 3.33Å; R151-I157 VanDerWaalsContact O-CG1 3.29Å; R151-I157 WeakPolarHBondContact O-CG1 3.37Å; H153-I157 WeakPolarHBondContact O-CG1 3.5Å; H153-I157 PolarHBondContact O-N 3.38Å; P154-I157 PolarHBondContact O-N 2.83Å; I157-V159 PolarHBondContact O-N 2.89Å; I157-F160 PolarHBondContact O-N 3.05Å; I157-G161 WeakPolarHBondContact O-CA 3.46Å; I157-G161 PolarHBondContact O-N 2.99Å; I157-E162 HydrophobicContact CG2-CG 4.14Å
158G92.3Very high93.4Very high58 Ų5856.7 Ų56.760%0.59831%0.306SS*.Hα-helixtrans-63.3-22.2176.500000114.8P154 E155 V156P154-G158 PolarHBondContact O-N 3.45Å; E155-G158 PolarHBondContact O-N 3Å; V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 2.98Å
159V92.2Very high93.1Very high6 Ų657 Ų574%0.03631%0.305CS..Hα-helixtrans-89.2-46.1173.9-172.30000112.2E155 V156 I157 R205 V231 I239E155-V159 WeakPolarHBondContact O-CG2 3.43Å; E155-V159 PolarHBondContact O-N 3.4Å; V156-V159 PolarHBondContact O-N 3.37Å; V156-V159 VanDerWaalsContact O-N 3.09Å; I157-V159 PolarHBondContact O-N 2.89Å; V159-R205 WeakPolarHBondContact O-CD 3.43Å; V159-R205 PolarHBondContact O-NH1 3.42Å; V159-V231 HydrophobicContact CG1-CG1 3.95Å; V159-V231 HydrophobicContact CG1-CG2 3.89Å; V159-I239 HydrophobicContact CB-CD1 4.34Å; V159-I239 HydrophobicContact CG2-CD1 3.45Å; V159-I239 VanDerWaalsContact CG2-CD1 3.45Å
160F93.3Very high92.7Very high2 Ų256.4 Ų56.41%0.00931%0.308CS..Hα-helixtrans-100.6-16.2-166.6-68.3-79.3000113.7V156 I157 I164 I198 G200 E201 R205 V229 V231V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 4.15Å; V156-F160 WeakPolarHBondContact O-CD2 3.34Å; V156-F160 PolarHBondContact O-N 3.37Å; I157-F160 PolarHBondContact O-N 3.05Å; F160-I164 HydrophobicContact CB-CD1 4.3Å; F160-I164 HydrophobicContact CB-CG1 4.1Å; F160-I198 HydrophobicContact CD1-CD1 4.43Å; F160-I198 HydrophobicContact CD2-CD1 3.93Å; F160-I198 HydrophobicContact CE1-CD1 4.2Å; F160-I198 HydrophobicContact CE1-CG1 4.24Å; F160-I198 HydrophobicContact CE2-CD1 3.68Å; F160-I198 HydrophobicContact CG-CD1 4.32Å; F160-I198 HydrophobicContact CZ-CD1 3.82Å; F160-I198 HydrophobicContact CZ-CG1 4.18Å; F160-G200 CarbonylContact O-C 3.58Å; F160-G200 WeakPolarHBondContact O-CA 3.13Å; F160-E201 PolarHBondContact O-N 3.35Å; F160-R205 HydrophobicContact CD1-CB 4.26Å; F160-V229 HydrophobicContact CE2-CG1 3.89Å; F160-V229 HydrophobicContact CZ-CG1 4.09Å; F160-V231 HydrophobicContact CE2-CG2 4.16Å; F160-V231 HydrophobicContact CZ-CG1 4.35Å; F160-V231 HydrophobicContact CZ-CG2 4.01Å
161G92.3Very high92.2Very high22 Ų2259.3 Ų59.323%0.22733%0.328CS..  trans70.2176.2-169.400000112.3I157 I164I157-G161 WeakPolarHBondContact O-CA 3.46Å; I157-G161 PolarHBondContact O-N 2.99Å; G161-I164 WeakPolarHBondContact O-CG1 3.48Å
162E90.2Very high91.6Very high103 Ų10366.3 Ų66.348%0.48136%0.355SS..SBendtrans-110.5131166.7-66.9-151.2116.600108.9R151 I157R151-E162 IonicContact NE-OE1 2.75Å; R151-E162 IonicContact NH2-OE1 3.87Å; I157-E162 HydrophobicContact CG2-CG 4.14Å
163P92.6Very high91.1Very high72 Ų7269.9 Ų69.947%0.46836%0.359SS..SBendcis-97.9132.116.134.8-33.5000114.9
164I94.8Very high90.5Very high12 Ų1270.6 Ų70.66%0.06238%0.376CS..PPolyproline II helixtrans-79.3127.6173.3-53.7173.3000110.3F147 V156 F160 G161 I198F147-I164 HydrophobicContact CE2-CG2 4.13Å; V156-I164 HydrophobicContact CG1-CD1 3.96Å; F160-I164 HydrophobicContact CB-CD1 4.3Å; F160-I164 HydrophobicContact CB-CG1 4.1Å; G161-I164 WeakPolarHBondContact O-CG1 3.48Å; I164-I198 HydrophobicContact CG2-CB 4.21Å; I164-I198 HydrophobicContact CG2-CG2 4.45Å
165K93.1Very high90.1Very high127 Ų12773.6 Ų73.655%0.55238%0.375SS*.EExtended strand (participates in β ladder)trans-103.9145.2173.5-66.2168.7-174.2161.70110.2I198 Q199K165-I198 CarbonylContact O-C 3.49Å; K165-I198 WeakPolarHBondContact O-CA 3.41Å; K165-Q199 PolarHBondContact N-O 2.81Å; K165-Q199 PolarHBondContact O-N 2.88Å
166C92.4Very high89.7Confident40 Ų4073.6 Ų73.627%0.2737%0.37SS..EExtended strand (participates in β ladder)trans-123.3144176.654.30000111.3Y143 F147 Y197 I198Y143-C166 VanDerWaalsContact OH-CB 3.3Å; Y143-C166 WeakPolarHBondContact OH-CB 3.41Å; Y143-C166 PolarHBondContact OH-SG 2.89Å; F147-C166 HydrophobicContact CD2-CB 3.53Å; F147-C166 HydrophobicContact CE2-CB 3.51Å; F147-C166 HydrophobicContact CG-CB 4.09Å; F147-C166 HydrophobicContact CZ-CB 4.05Å; C166-Y197 CarbonylContact C-O 3.56Å; C166-Y197 WeakPolarHBondContact CA-O 3.37Å; C166-I198 HydrophobicContact CB-CG2 4.19Å
167F91.9Very high89Confident23 Ų2381.8 Ų81.810%0.10141%0.409CS..EExtended strand (participates in β ladder)trans-145.7154.4179.948.3-79.9000112.5R176 Y197 Q199F167-R176 HydrophobicContact CB-CB 4.19Å; F167-R176 HydrophobicContact CD2-CG 4.48Å; F167-Y197 HydrophobicContact CD2-CG 4.38Å; F167-Y197 HydrophobicContact CE2-CG 4.01Å; F167-Y197 PolarHBondContact N-O 3.05Å; F167-Y197 PolarHBondContact O-N 3.5Å; F167-Q199 HydrophobicContact CE1-CB 3.66Å; F167-Q199 HydrophobicContact CZ-CB 4.38Å
168G92Very high88.6Confident4 Ų486 Ų864%0.04143%0.425CS..  trans-73.6-175.4175.800000113T170 R176 K178G168-T170 PolarHBondContact O-N 3.11Å; G168-R176 PolarHBondContact N-O 2.97Å; G168-K178 CarbonylContact C-O 3.48Å; G168-K178 WeakPolarHBondContact CA-O 3.43Å
169E89.3Confident88.4Confident96 Ų9684.1 Ų84.145%0.44940%0.401SS..BIsolated β-bridgetrans-59.7134.1174.2-165.7177.6159.500110.8S171 K178 S180E169-S171 PolarHBondContact O-N 3.39Å; E169-K178 PolarHBondContact N-O 3.38Å; E169-S180 WeakPolarHBondContact OE2-CB 3.31Å; E169-S180 PolarHBondContact OE2-OG 3.06Å
170T85.7Confident88.3Confident70 Ų7085.5 Ų85.543%0.42941%0.411SS..  trans-80.3110.7179-63.30000109.4G168G168-T170 PolarHBondContact O-N 3.11Å
171S84.4Confident88.2Confident61 Ų6188.6 Ų88.643%0.42743%0.425SS..  trans-60.2152.1170.5-178.10000111E169 R173 G174 R175E169-S171 PolarHBondContact O-N 3.39Å; S171-R173 PolarHBondContact O-N 3.11Å; S171-G174 PolarHBondContact O-N 3.06Å; S171-R175 WeakPolarHBondContact CB-O 3.48Å; S171-R175 PolarHBondContact N-O 3.15Å
172R80.6Confident88.2Confident259 Ų25991.7 Ų91.798%0.97744%0.44SS*.THydrogen-bonded Turntrans-50.5-22172.3-65.8-173.2-178.4-175.80.4114.2
173R84.4Confident88.3Confident210 Ų21091 Ų9179%0.79244%0.436SS*.THydrogen-bonded Turntrans-96.820.2175.6-59.9-176.5-178.8172.80.5114S171 R175S171-R173 PolarHBondContact O-N 3.11Å; R173-R175 VanDerWaalsContact C-N 3.27Å; R173-R175 PolarHBondContact O-N 3.33Å
174G83.7Confident88.2Confident53 Ų5390 Ų9055%0.54642%0.423SS..SBendtrans74.8-2.4177.500000116.7S171S171-G174 PolarHBondContact O-N 3.06Å
175R85.3Confident88Confident160 Ų16096.2 Ų96.260%0.60445%0.454SS*.  trans-75.5130.2179-61.4-177.4-177.4179-1.5111S171 R173S171-R175 WeakPolarHBondContact CB-O 3.48Å; S171-R175 PolarHBondContact N-O 3.15Å; R173-R175 VanDerWaalsContact C-N 3.27Å; R173-R175 PolarHBondContact O-N 3.33Å
176R84.9Confident87.8Confident111 Ų11194.5 Ų94.542%0.41945%0.447SS..  trans-110.130.8-176-59.4-175.7172.3-175.61.9114.6F167 G168F167-R176 HydrophobicContact CB-CB 4.19Å; F167-R176 HydrophobicContact CD2-CG 4.48Å; G168-R176 PolarHBondContact N-O 2.97Å
177Q80.7Confident87.6Confident172 Ų17298.6 Ų98.680%0.80447%0.466SS*.  trans-87.5-22.3-164.8-70.7175.9-37.800115.6
178K84.8Confident87.3Confident144 Ų144101.2 Ų101.263%0.62650%0.499SS*.BIsolated β-bridgetrans-111.5128.6-173.5-172.9-177.7177.6-172.40110.8G168 E169G168-K178 CarbonylContact C-O 3.48Å; G168-K178 WeakPolarHBondContact CA-O 3.43Å; E169-K178 PolarHBondContact N-O 3.38Å
179I88Confident87.1Confident19 Ų19102.8 Ų102.810%0.09751%0.506CS..  trans-76.3133.7171.2-62.4142000109.1Y143 H181 L194 F196Y143-I179 HydrophobicContact CD1-CD1 3.6Å; Y143-I179 HydrophobicContact CD2-CD1 3.53Å; Y143-I179 HydrophobicContact CD2-CG1 3.77Å; Y143-I179 HydrophobicContact CD2-CG2 4.14Å; Y143-I179 HydrophobicContact CE1-CD1 3.9Å; Y143-I179 HydrophobicContact CE2-CD1 3.82Å; Y143-I179 HydrophobicContact CE2-CG1 3.8Å; Y143-I179 HydrophobicContact CG-CD1 3.38Å; Y143-I179 HydrophobicContact CG-CG1 4.17Å; I179-H181 PolarHBondContact O-N 2.74Å; I179-H181 PolarHBondContact O-ND1 3.02Å; I179-L194 HydrophobicContact CG2-CD2 4.25Å; I179-F196 HydrophobicContact CG2-CB 4.33Å
180S89.9Confident87.1Confident35 Ų35100.1 Ų100.125%0.24549%0.494CS..EExtended strand (participates in β ladder)trans-72.6120174.9-146.20000108.5E169 L194 K195E169-S180 WeakPolarHBondContact OE2-CB 3.31Å; E169-S180 PolarHBondContact OE2-OG 3.06Å; S180-L194 WeakPolarHBondContact O-CA 3.37Å; S180-K195 WeakPolarHBondContact CB-O 3.32Å; S180-K195 PolarHBondContact N-O 3.45Å; S180-K195 PolarHBondContact O-N 3.48Å
181H91.9Very high87.4Confident68 Ų6897 Ų9732%0.31547%0.474SS..EExtended strand (participates in β ladder)trans-136.8141.9179.758.9-83.6000110P139 I179 R193P139-H181 HydrophobicContact CB-CB 4.3Å; I179-H181 PolarHBondContact O-N 2.74Å; I179-H181 PolarHBondContact O-ND1 3.02Å; H181-R193 CarbonylContact C-O 3.52Å; H181-R193 VanDerWaalsContact CA-O 3.27Å; H181-R193 WeakPolarHBondContact CA-O 3.49Å
182V92Very high87.8Confident87 Ų8794.2 Ų94.253%0.52745%0.454SS..EExtended strand (participates in β ladder)trans-132.1112.7175.6-178.90000107.6R193V182-R193 PolarHBondContact N-O 3.31Å; V182-R193 PolarHBondContact O-N 3.1Å
183E91.3Very high88.4Confident87 Ų8787.4 Ų87.441%0.40743%0.428SS..EExtended strand (participates in β ladder)trans-90.1134.4170.4-63.5-180-164.600108.7K190 H191 M192E183-K190 IonicContact OE1-NZ 2.72Å; E183-K190 WeakPolarHBondContact OE2-CE 3.3Å; E183-K190 IonicContact OE2-NZ 3.68Å; E183-K190 PolarHBondContact OE2-NZ 3.06Å; E183-H191 WeakPolarHBondContact CA-O 3.44Å; E183-M192 HydrophobicContact CG-CB 4.33Å; E183-M192 HydrophobicContact CG-CG 4.02Å; E183-M192 HydrophobicContact CG-SD 4.16Å
184Y91.5Very high88.8Confident51 Ų5177.6 Ų77.620%0.239%0.392CS..EExtended strand (participates in β ladder)trans-147.3152.5178.466.7-81.8000110.3K186 H191 R193 E212Y184-K186 HydrophobicContact CD2-CB 4.15Å; Y184-K186 HydrophobicContact CE2-CB 3.91Å; Y184-H191 HydrophobicContact CD1-CB 3.94Å; Y184-H191 HydrophobicContact CD2-CB 3.98Å; Y184-H191 HydrophobicContact CE1-CB 3.48Å; Y184-H191 VanDerWaalsContact CE1-CB 3.48Å; Y184-H191 HydrophobicContact CE2-CB 3.54Å; Y184-H191 AromaticContact CE2-CG 3.91Å; Y184-H191 HydrophobicContact CG-CB 4.17Å; Y184-H191 AromaticContact CZ-CG 3.83Å; Y184-H191 AromaticContact CZ-ND1 3.95Å; Y184-H191 PolarHBondContact N-O 2.89Å; Y184-H191 PolarHBondContact O-N 3.01Å; Y184-H191 VanDerWaalsContact O-O 3.06Å; Y184-H191 PolarHBondContact OH-ND1 2.93Å; Y184-R193 HydrophobicContact CE1-CG 3.89Å; Y184-R193 PolarHBondContact OH-NE 3.22Å; Y184-R193 PolarHBondContact OH-NH2 3.29Å; Y184-E212 PolarHBondContact OH-OE1 2.79Å; Y184-E212 PolarHBondContact OH-OE2 3.41Å
185M91.3Very high89.4Confident143 Ų14378.4 Ų78.470%0.70438%0.38SS*.EExtended strand (participates in β ladder)trans-94.3133.5173.6-65.6-61.7-173.800109.1K190M185-K190 HydrophobicContact CE-CB 4.26Å; M185-K190 HydrophobicContact CE-CG 4.19Å; M185-K190 HydrophobicContact SD-CB 3.91Å; M185-K190 HydrophobicContact SD-CG 4.13Å
186K88.7Confident89.8Confident91 Ų9170.8 Ų70.840%0.39635%0.351SS..EExtended strand (participates in β ladder)trans-141.7133.9173.1-161.5-159.3168.5-158.80109.2Y184 G188 L189Y184-K186 HydrophobicContact CD2-CB 4.15Å; Y184-K186 HydrophobicContact CE2-CB 3.91Å; K186-G188 PolarHBondContact O-N 3.04Å; K186-G188 VanDerWaalsContact O-N 3.1Å; K186-L189 PolarHBondContact N-O 3.29Å; K186-L189 PolarHBondContact O-N 3.37Å; K186-L189 VanDerWaalsContact O-O 3.06Å
187D87Confident90.3Very high126 Ų12668.1 Ų68.167%0.67434%0.342SS*.THydrogen-bonded Turntrans55.131.9176.6-45.4-36.6000112.9L189D187-L189 VanDerWaalsContact C-N 3.26Å; D187-L189 PolarHBondContact O-N 3.47Å
188G85.9Confident91Very high78 Ų7860 Ų6080%0.80430%0.304SS*.THydrogen-bonded Turntrans78.4-3.2-175.900000115.7K186K186-G188 PolarHBondContact O-N 3.04Å; K186-G188 VanDerWaalsContact O-N 3.1Å
189L88.3Confident91.4Very high37 Ų3755.8 Ų55.819%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-109.1149.9-176.7-61.9171.3000111.2K186 D187 P217K186-L189 PolarHBondContact N-O 3.29Å; K186-L189 PolarHBondContact O-N 3.37Å; K186-L189 VanDerWaalsContact O-O 3.06Å; D187-L189 VanDerWaalsContact C-N 3.26Å; D187-L189 PolarHBondContact O-N 3.47Å; L189-P217 HydrophobicContact CD2-CB 3.98Å; L189-P217 HydrophobicContact CD2-CG 4.3Å
190K89.3Confident91.7Very high41 Ų4154.9 Ų54.918%0.17828%0.282CS..EExtended strand (participates in β ladder)trans-78.9125.8176.1-164.2-179.9-179.4-177.30110E183 M185 E215E183-K190 IonicContact OE1-NZ 2.72Å; E183-K190 WeakPolarHBondContact OE2-CE 3.3Å; E183-K190 IonicContact OE2-NZ 3.68Å; E183-K190 PolarHBondContact OE2-NZ 3.06Å; M185-K190 HydrophobicContact CE-CB 4.26Å; M185-K190 HydrophobicContact CE-CG 4.19Å; M185-K190 HydrophobicContact SD-CB 3.91Å; M185-K190 HydrophobicContact SD-CG 4.13Å; K190-E215 HydrophobicContact CB-CB 4.09Å; K190-E215 WeakPolarHBondContact CB-OE2 3.3Å; K190-E215 WeakPolarHBondContact O-CB 3.48Å; K190-E215 PolarHBondContact O-N 3.18Å
191H91.7Very high91.7Very high4 Ų459.4 Ų59.42%0.01930%0.299CS..EExtended strand (participates in β ladder)trans-112.2146.7170-74.5-122000109.6E183 Y184 E212 S213E183-H191 WeakPolarHBondContact CA-O 3.44Å; Y184-H191 HydrophobicContact CD1-CB 3.94Å; Y184-H191 HydrophobicContact CD2-CB 3.98Å; Y184-H191 HydrophobicContact CE1-CB 3.48Å; Y184-H191 VanDerWaalsContact CE1-CB 3.48Å; Y184-H191 HydrophobicContact CE2-CB 3.54Å; Y184-H191 AromaticContact CE2-CG 3.91Å; Y184-H191 HydrophobicContact CG-CB 4.17Å; Y184-H191 AromaticContact CZ-CG 3.83Å; Y184-H191 AromaticContact CZ-ND1 3.95Å; Y184-H191 PolarHBondContact N-O 2.89Å; Y184-H191 PolarHBondContact O-N 3.01Å; Y184-H191 VanDerWaalsContact O-O 3.06Å; Y184-H191 PolarHBondContact OH-ND1 2.93Å; H191-E212 IonicContact ND1-OE1 2.71Å; H191-S213 CarbonylContact C-O 3.22Å; H191-S213 WeakPolarHBondContact CA-O 3.45Å
192M91.9Very high91.6Very high2 Ų260.8 Ų60.81%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-132.9122.4172.4-178.2173.142.200110P139 V142 E183 L194 S213 L222P139-M192 HydrophobicContact CB-SD 3.89Å; P139-M192 HydrophobicContact CG-SD 3.73Å; V142-M192 HydrophobicContact CB-CE 3.8Å; V142-M192 HydrophobicContact CG1-CE 4.17Å; V142-M192 HydrophobicContact CG2-CE 3.46Å; V142-M192 VanDerWaalsContact CG2-CE 3.46Å; E183-M192 HydrophobicContact CG-CB 4.33Å; E183-M192 HydrophobicContact CG-CG 4.02Å; E183-M192 HydrophobicContact CG-SD 4.16Å; M192-L194 HydrophobicContact CE-CD1 4.12Å; M192-L194 HydrophobicContact CG-CD1 3.76Å; M192-L194 HydrophobicContact CG-CG 4.48Å; M192-L194 HydrophobicContact SD-CD1 4.08Å; M192-S213 PolarHBondContact N-O 3.1Å; M192-S213 PolarHBondContact O-N 3.18Å; M192-S213 PolarHBondContact O-OG 2.72Å; M192-S213 VanDerWaalsContact O-OG 3.13Å; M192-L222 HydrophobicContact CE-CD1 3.68Å
193R93.8Very high91.3Very high116 Ų11662.6 Ų62.644%0.43832%0.319SS..EExtended strand (participates in β ladder)trans-95.5135168.9-82.1163.9-176.2166.85.9109.8H181 V182 Y184 T211 E212H181-R193 CarbonylContact C-O 3.52Å; H181-R193 VanDerWaalsContact CA-O 3.27Å; H181-R193 WeakPolarHBondContact CA-O 3.49Å; V182-R193 PolarHBondContact N-O 3.31Å; V182-R193 PolarHBondContact O-N 3.1Å; Y184-R193 HydrophobicContact CE1-CG 3.89Å; Y184-R193 PolarHBondContact OH-NE 3.22Å; Y184-R193 PolarHBondContact OH-NH2 3.29Å; R193-T211 CarbonylContact C-O 3.53Å; R193-T211 VanDerWaalsContact CA-O 3.29Å; R193-T211 WeakPolarHBondContact CA-O 3.4Å; R193-E212 HydrophobicContact CG-CB 4.18Å; R193-E212 HydrophobicContact CG-CG 4.21Å; R193-E212 IonicContact CZ-OE2 3.83Å; R193-E212 IonicContact NE-OE2 2.78Å; R193-E212 PolarHBondContact NE-OE2 2.86Å; R193-E212 IonicContact NH2-OE2 3.17Å; R193-E212 PolarHBondContact NH2-OE2 2.97Å
194L93.9Very high91Very high4 Ų460.3 Ų60.32%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-119.6141170.7-64.687.9000109.3P139 V142 I179 S180 M192 T211P139-L194 WeakPolarHBondContact O-CD2 3.39Å; V142-L194 HydrophobicContact CB-CD1 4.25Å; V142-L194 HydrophobicContact CB-CD2 4.43Å; V142-L194 HydrophobicContact CG1-CD1 3.59Å; V142-L194 HydrophobicContact CG1-CD2 4.37Å; I179-L194 HydrophobicContact CG2-CD2 4.25Å; S180-L194 WeakPolarHBondContact O-CA 3.37Å; M192-L194 HydrophobicContact CE-CD1 4.12Å; M192-L194 HydrophobicContact CG-CD1 3.76Å; M192-L194 HydrophobicContact CG-CG 4.48Å; M192-L194 HydrophobicContact SD-CD1 4.08Å; L194-T211 PolarHBondContact N-O 3.01Å; L194-T211 PolarHBondContact O-N 3.18Å
195K94.6Very high91Very high70 Ų7061.6 Ų61.630%0.30432%0.324SS..EExtended strand (participates in β ladder)trans-127.2123.5167.1-173.8-173.8-172.6-1790108.5S180 Y197 T208 V209S180-K195 WeakPolarHBondContact CB-O 3.32Å; S180-K195 PolarHBondContact N-O 3.45Å; S180-K195 PolarHBondContact O-N 3.48Å; K195-Y197 WeakPolarHBondContact CE-OH 3.42Å; K195-Y197 PolarHBondContact NZ-OH 2.93Å; K195-T208 HydrophobicContact CD-CG2 4.23Å; K195-T208 HydrophobicContact CG-CG2 3.99Å; K195-V209 WeakPolarHBondContact CA-O 3.37Å
196F95.3Very high91.1Very high0 Ų058.3 Ų58.30%031%0.307CS..EExtended strand (participates in β ladder)trans-140.5167.8174.363-87000109.9Y143 A146 F147 I179 I198 V209Y143-F196 HydrophobicContact CD2-CB 4.15Å; Y143-F196 AromaticContact CD2-CD1 3.79Å; Y143-F196 HydrophobicContact CD2-CD1 3.79Å; Y143-F196 HydrophobicContact CD2-CD2 4.27Å; Y143-F196 HydrophobicContact CD2-CE1 4.17Å; Y143-F196 AromaticContact CD2-CG 3.83Å; Y143-F196 HydrophobicContact CD2-CG 3.83Å; Y143-F196 HydrophobicContact CE2-CB 3.73Å; Y143-F196 HydrophobicContact CE2-CD1 4.01Å; Y143-F196 AromaticContact CE2-CD2 3.69Å; Y143-F196 HydrophobicContact CE2-CD2 3.69Å; Y143-F196 HydrophobicContact CE2-CE2 4.22Å; Y143-F196 AromaticContact CE2-CG 3.56Å; Y143-F196 HydrophobicContact CE2-CG 3.56Å; A146-F196 HydrophobicContact CB-CE1 4.09Å; A146-F196 HydrophobicContact CB-CZ 4.21Å; F147-F196 HydrophobicContact CB-CE2 4.37Å; F147-F196 HydrophobicContact CB-CZ 4.44Å; F147-F196 HydrophobicContact CD2-CE2 4.44Å; I179-F196 HydrophobicContact CG2-CB 4.33Å; F196-I198 HydrophobicContact CD2-CG2 4.19Å; F196-I198 HydrophobicContact CE2-CG2 4.01Å; F196-V209 HydrophobicContact CD1-CB 4.15Å; F196-V209 HydrophobicContact CD1-CG1 4.47Å; F196-V209 HydrophobicContact CD2-CB 3.94Å; F196-V209 HydrophobicContact CD2-CG2 4.04Å; F196-V209 HydrophobicContact CE1-CB 3.81Å; F196-V209 HydrophobicContact CE1-CG1 3.69Å; F196-V209 HydrophobicContact CE2-CB 3.6Å; F196-V209 HydrophobicContact CE2-CG1 3.99Å; F196-V209 HydrophobicContact CE2-CG2 3.58Å; F196-V209 HydrophobicContact CG-CB 4.22Å; F196-V209 HydrophobicContact CZ-CB 3.54Å; F196-V209 HydrophobicContact CZ-CG1 3.42Å; F196-V209 VanDerWaalsContact CZ-CG1 3.42Å; F196-V209 HydrophobicContact CZ-CG2 3.94Å; F196-V209 PolarHBondContact N-O 3Å; F196-V209 VanDerWaalsContact N-O 3.15Å; F196-V209 PolarHBondContact O-N 2.91Å
197Y94.6Very high91.4Very high56 Ų5654 Ų5422%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-116.6148.3-174.4-61.9-88.8000109.7C166 F167 K195 G207 T208C166-Y197 CarbonylContact C-O 3.56Å; C166-Y197 WeakPolarHBondContact CA-O 3.37Å; F167-Y197 HydrophobicContact CD2-CG 4.38Å; F167-Y197 HydrophobicContact CE2-CG 4.01Å; F167-Y197 PolarHBondContact N-O 3.05Å; F167-Y197 PolarHBondContact O-N 3.5Å; K195-Y197 WeakPolarHBondContact CE-OH 3.42Å; K195-Y197 PolarHBondContact NZ-OH 2.93Å; Y197-G207 CarbonylContact C-O 3.42Å; Y197-G207 WeakPolarHBondContact CA-O 3.48Å; Y197-T208 HydrophobicContact CD1-CG2 4.25Å; Y197-T208 WeakPolarHBondContact CD1-OG1 3.22Å; Y197-T208 HydrophobicContact CE1-CG2 3.97Å; Y197-T208 WeakPolarHBondContact CE1-OG1 3.3Å
198I94.9Very high91.8Very high0 Ų048.3 Ų48.30%026%0.258CS..EExtended strand (participates in β ladder)trans-125.6153175.461169.9000110.9T150 V156 F160 I164 K165 C166 F196 Q206 G207 V209 V229T150-I198 HydrophobicContact CG2-CD1 4.15Å; V156-I198 HydrophobicContact CG1-CD1 4.32Å; F160-I198 HydrophobicContact CD1-CD1 4.43Å; F160-I198 HydrophobicContact CD2-CD1 3.93Å; F160-I198 HydrophobicContact CE1-CD1 4.2Å; F160-I198 HydrophobicContact CE1-CG1 4.24Å; F160-I198 HydrophobicContact CE2-CD1 3.68Å; F160-I198 HydrophobicContact CG-CD1 4.32Å; F160-I198 HydrophobicContact CZ-CD1 3.82Å; F160-I198 HydrophobicContact CZ-CG1 4.18Å; I164-I198 HydrophobicContact CG2-CB 4.21Å; I164-I198 HydrophobicContact CG2-CG2 4.45Å; K165-I198 CarbonylContact O-C 3.49Å; K165-I198 WeakPolarHBondContact O-CA 3.41Å; C166-I198 HydrophobicContact CB-CG2 4.19Å; F196-I198 HydrophobicContact CD2-CG2 4.19Å; F196-I198 HydrophobicContact CE2-CG2 4.01Å; I198-Q206 WeakPolarHBondContact O-CA 3.41Å; I198-G207 PolarHBondContact N-O 3.15Å; I198-G207 PolarHBondContact O-N 3.29Å; I198-V209 HydrophobicContact CB-CG2 4.46Å; I198-V209 HydrophobicContact CD1-CG2 4Å; I198-V209 HydrophobicContact CG1-CG2 4Å; I198-V209 HydrophobicContact CG2-CG2 3.71Å; I198-V229 HydrophobicContact CD1-CG1 3.68Å; I198-V229 HydrophobicContact CG1-CG1 4.39Å
199Q93.6Very high92.3Very high56 Ų5644.6 Ų44.626%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-135.7134.3175.9173.2173.512.200108.2K165 F167 R205 Q206K165-Q199 PolarHBondContact N-O 2.81Å; K165-Q199 PolarHBondContact O-N 2.88Å; F167-Q199 HydrophobicContact CE1-CB 3.66Å; F167-Q199 HydrophobicContact CZ-CB 4.38Å; Q199-R205 WeakPolarHBondContact CA-O 3.13Å; Q199-Q206 HydrophobicContact CB-CG 4.34Å; Q199-Q206 HydrophobicContact CG-CG 4.37Å
200G93.9Very high92.6Very high1 Ų145.1 Ų45.11%0.0122%0.221CC..  trans-77.6-172.1176.800000113.7F160 R205F160-G200 CarbonylContact O-C 3.58Å; F160-G200 WeakPolarHBondContact O-CA 3.13Å; G200-R205 PolarHBondContact N-O 2.71Å
201E90.9Very high92.9Very high129 Ų12943.3 Ų43.360%0.60321%0.214SC*.SBendtrans-65.6-50.7169-177.4-177.6-162.900110.7F160F160-E201 PolarHBondContact O-N 3.35Å
202E88.9Confident93Very high97 Ų9743.2 Ų43.245%0.45321%0.213SC..SBendtrans-68130.4-177.8-81.2-178.3-146.600112.7G204 R205E202-G204 PolarHBondContact O-N 3.14Å; E202-R205 HydrophobicContact CB-CB 4.45Å; E202-R205 HydrophobicContact CB-CG 3.86Å; E202-R205 VanDerWaalsContact CD-CZ 3.44Å; E202-R205 VanDerWaalsContact CD-NE 3.3Å; E202-R205 PolarHBondContact O-N 3.41Å; E202-R205 VanDerWaalsContact O-N 3.11Å; E202-R205 IonicContact OE1-CZ 2.7Å; E202-R205 IonicContact OE1-NE 3.35Å; E202-R205 IonicContact OE1-NH2 3.11Å; E202-R205 PolarHBondContact OE1-NH2 3.34Å; E202-R205 IonicContact OE2-CZ 3.59Å; E202-R205 IonicContact OE2-NE 2.79Å; E202-R205 PolarHBondContact OE2-NE 2.97Å; E202-R205 IonicContact OE2-NH2 2.66Å; E202-R205 PolarHBondContact OE2-NH2 3.27Å
203P85.8Confident93.1Very high125 Ų12543.1 Ų43.181%0.81221%0.213SC*.THydrogen-bonded Turntrans-64.3119.7176.627.5-33.6000110.1
204G85.8Confident93Very high40 Ų4041.4 Ų41.441%0.41221%0.209SC..THydrogen-bonded Turntrans107.1-14.6-177.300000114.4E202 Q206 T233E202-G204 PolarHBondContact O-N 3.14Å; G204-Q206 PolarHBondContact O-N 2.9Å; G204-T233 PolarHBondContact O-OG1 3.43Å
205R91.3Very high92.8Very high78 Ų7843.8 Ų43.829%0.29422%0.22SC..  trans-80.999.1169.5-61.8-157.5-166.5-174.36.3110.4V159 F160 Q199 G200 E202 T233V159-R205 WeakPolarHBondContact O-CD 3.43Å; V159-R205 PolarHBondContact O-NH1 3.42Å; F160-R205 HydrophobicContact CD1-CB 4.26Å; Q199-R205 WeakPolarHBondContact CA-O 3.13Å; G200-R205 PolarHBondContact N-O 2.71Å; E202-R205 HydrophobicContact CB-CB 4.45Å; E202-R205 HydrophobicContact CB-CG 3.86Å; E202-R205 VanDerWaalsContact CD-CZ 3.44Å; E202-R205 VanDerWaalsContact CD-NE 3.3Å; E202-R205 PolarHBondContact O-N 3.41Å; E202-R205 VanDerWaalsContact O-N 3.11Å; E202-R205 IonicContact OE1-CZ 2.7Å; E202-R205 IonicContact OE1-NE 3.35Å; E202-R205 IonicContact OE1-NH2 3.11Å; E202-R205 PolarHBondContact OE1-NH2 3.34Å; E202-R205 IonicContact OE2-CZ 3.59Å; E202-R205 IonicContact OE2-NE 2.79Å; E202-R205 PolarHBondContact OE2-NE 2.97Å; E202-R205 IonicContact OE2-NH2 2.66Å; E202-R205 PolarHBondContact OE2-NH2 3.27Å; R205-T233 WeakPolarHBondContact CA-OG1 3.33Å
206Q93.6Very high92.5Very high73 Ų7342.2 Ų42.234%0.34121%0.214SC..EExtended strand (participates in β ladder)trans-127.1151.9-179.9-74.1177.485.900110.3I198 Q199 G204 D232 T233I198-Q206 WeakPolarHBondContact O-CA 3.41Å; Q199-Q206 HydrophobicContact CB-CG 4.34Å; Q199-Q206 HydrophobicContact CG-CG 4.37Å; G204-Q206 PolarHBondContact O-N 2.9Å; Q206-D232 PolarHBondContact O-N 2.82Å; Q206-T233 PolarHBondContact N-OG1 3.48Å; Q206-T233 VanDerWaalsContact N-OG1 3.11Å
207G94.4Very high91.9Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-154160178.800000112.6Y197 I198 E230 D232Y197-G207 CarbonylContact C-O 3.42Å; Y197-G207 WeakPolarHBondContact CA-O 3.48Å; I198-G207 PolarHBondContact N-O 3.15Å; I198-G207 PolarHBondContact O-N 3.29Å; G207-E230 CarbonylContact C-O 3.56Å; G207-E230 WeakPolarHBondContact CA-O 3.42Å; G207-D232 VanDerWaalsContact CA-OD2 3.32Å; G207-D232 WeakPolarHBondContact CA-OD2 3.26Å; G207-D232 PolarHBondContact N-OD2 3.14Å
208T95.6Very high91.4Very high8 Ų852.8 Ų52.85%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-112.3119.3-179.7-60.80000109K195 Y197 H210 E230 D232K195-T208 HydrophobicContact CD-CG2 4.23Å; K195-T208 HydrophobicContact CG-CG2 3.99Å; Y197-T208 HydrophobicContact CD1-CG2 4.25Å; Y197-T208 WeakPolarHBondContact CD1-OG1 3.22Å; Y197-T208 HydrophobicContact CE1-CG2 3.97Å; Y197-T208 WeakPolarHBondContact CE1-OG1 3.3Å; T208-H210 VanDerWaalsContact CG2-NE2 3.31Å; T208-H210 WeakPolarHBondContact CG2-NE2 3.34Å; T208-E230 PolarHBondContact N-O 3.49Å; T208-E230 PolarHBondContact O-N 3.39Å; T208-D232 PolarHBondContact OG1-OD1 2.99Å; T208-D232 PolarHBondContact OG1-OD2 2.92Å
209V96.1Very high90.7Very high0 Ų055.7 Ų55.70%029%0.292CS..EExtended strand (participates in β ladder)trans-94.8124.7177.1-1690000109.6T150 K195 F196 I198 I227 V229T150-V209 HydrophobicContact CG2-CG2 4.27Å; K195-V209 WeakPolarHBondContact CA-O 3.37Å; F196-V209 HydrophobicContact CD1-CB 4.15Å; F196-V209 HydrophobicContact CD1-CG1 4.47Å; F196-V209 HydrophobicContact CD2-CB 3.94Å; F196-V209 HydrophobicContact CD2-CG2 4.04Å; F196-V209 HydrophobicContact CE1-CB 3.81Å; F196-V209 HydrophobicContact CE1-CG1 3.69Å; F196-V209 HydrophobicContact CE2-CB 3.6Å; F196-V209 HydrophobicContact CE2-CG1 3.99Å; F196-V209 HydrophobicContact CE2-CG2 3.58Å; F196-V209 HydrophobicContact CG-CB 4.22Å; F196-V209 HydrophobicContact CZ-CB 3.54Å; F196-V209 HydrophobicContact CZ-CG1 3.42Å; F196-V209 VanDerWaalsContact CZ-CG1 3.42Å; F196-V209 HydrophobicContact CZ-CG2 3.94Å; F196-V209 PolarHBondContact N-O 3Å; F196-V209 VanDerWaalsContact N-O 3.15Å; F196-V209 PolarHBondContact O-N 2.91Å; I198-V209 HydrophobicContact CB-CG2 4.46Å; I198-V209 HydrophobicContact CD1-CG2 4Å; I198-V209 HydrophobicContact CG1-CG2 4Å; I198-V209 HydrophobicContact CG2-CG2 3.71Å; V209-I227 HydrophobicContact CG1-CG2 4.16Å; V209-V229 HydrophobicContact CG1-CG2 4.38Å; V209-V229 HydrophobicContact CG2-CG1 4.26Å; V209-V229 HydrophobicContact CG2-CG2 4.09Å
210H95.7Very high90Very high48 Ų4854.5 Ų54.522%0.22230%0.295CS..EExtended strand (participates in β ladder)trans-110.3133.8175.1-75.3-87.1000109.4T208 F228T208-H210 VanDerWaalsContact CG2-NE2 3.31Å; T208-H210 WeakPolarHBondContact CG2-NE2 3.34Å; H210-F228 HydrophobicContact CB-CD1 4.34Å; H210-F228 HydrophobicContact CB-CD2 3.96Å; H210-F228 HydrophobicContact CB-CE1 3.9Å; H210-F228 HydrophobicContact CB-CE2 3.48Å; H210-F228 VanDerWaalsContact CB-CE2 3.48Å; H210-F228 HydrophobicContact CB-CG 4.38Å; H210-F228 HydrophobicContact CB-CZ 3.44Å; H210-F228 VanDerWaalsContact CB-CZ 3.44Å; H210-F228 AromaticContact CD2-CE2 3.82Å; H210-F228 AromaticContact CG-CE2 3.82Å; H210-F228 AromaticContact CG-CZ 3.93Å; H210-F228 PolarHBondContact N-O 3.22Å; H210-F228 PolarHBondContact O-N 2.92Å
211T95.2Very high89.5Confident3 Ų360.4 Ų60.42%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-142.2134.2-177-59.90000110A146 R193 L194 F224 Y226 I227A146-T211 HydrophobicContact CB-CG2 4.25Å; R193-T211 CarbonylContact C-O 3.53Å; R193-T211 VanDerWaalsContact CA-O 3.29Å; R193-T211 WeakPolarHBondContact CA-O 3.4Å; L194-T211 PolarHBondContact N-O 3.01Å; L194-T211 PolarHBondContact O-N 3.18Å; T211-F224 HydrophobicContact CG2-CD1 3.45Å; T211-F224 VanDerWaalsContact CG2-CD1 3.45Å; T211-F224 HydrophobicContact CG2-CE1 3.54Å; T211-Y226 WeakPolarHBondContact CA-O 3.48Å; T211-I227 HydrophobicContact CG2-CG1 3.98Å
212E93.9Very high89.3Confident1 Ų155 Ų551%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-119.1131.2167.2-179170120.700108.8Y184 H191 R193 R225 Y226Y184-E212 PolarHBondContact OH-OE1 2.79Å; Y184-E212 PolarHBondContact OH-OE2 3.41Å; H191-E212 IonicContact ND1-OE1 2.71Å; R193-E212 HydrophobicContact CG-CB 4.18Å; R193-E212 HydrophobicContact CG-CG 4.21Å; R193-E212 IonicContact CZ-OE2 3.83Å; R193-E212 IonicContact NE-OE2 2.78Å; R193-E212 PolarHBondContact NE-OE2 2.86Å; R193-E212 IonicContact NH2-OE2 3.17Å; R193-E212 PolarHBondContact NH2-OE2 2.97Å; E212-R225 HydrophobicContact CG-CB 4.43Å; E212-R225 PolarHBondContact O-N 3.13Å; E212-R225 WeakPolarHBondContact OE1-CD 3.42Å; E212-R225 IonicContact OE1-NH1 3.29Å; E212-R225 PolarHBondContact OE1-NH1 3.47Å; E212-Y226 HydrophobicContact CB-CD1 3.95Å; E212-Y226 HydrophobicContact CB-CD2 4.32Å; E212-Y226 HydrophobicContact CB-CE1 3.44Å; E212-Y226 VanDerWaalsContact CB-CE1 3.44Å; E212-Y226 HydrophobicContact CB-CE2 3.85Å; E212-Y226 HydrophobicContact CB-CG 4.37Å; E212-Y226 HydrophobicContact CG-CE1 4.18Å; E212-Y226 PolarHBondContact N-O 3.1Å; E212-Y226 VanDerWaalsContact N-O 3.07Å; E212-Y226 PolarHBondContact O-N 3.19Å; E212-Y226 PolarHBondContact OE2-OH 3.36Å
213S92.6Very high89.4Confident0 Ų054.7 Ų54.70%029%0.294CS..EExtended strand (participates in β ladder)trans-121.8146.9172.254.10000110.2H191 M192 E223H191-S213 CarbonylContact C-O 3.22Å; H191-S213 WeakPolarHBondContact CA-O 3.45Å; M192-S213 PolarHBondContact N-O 3.1Å; M192-S213 PolarHBondContact O-N 3.18Å; M192-S213 PolarHBondContact O-OG 2.72Å; M192-S213 VanDerWaalsContact O-OG 3.13Å; S213-E223 CarbonylContact C-O 3.5Å; S213-E223 WeakPolarHBondContact CA-O 3.49Å; S213-E223 WeakPolarHBondContact CB-O 3.35Å
214K91.8Very high89.8Confident81 Ų8149.6 Ų49.635%0.35226%0.259SS..EExtended strand (participates in β ladder)trans-123.6138.1-178.2174.1-179.8176.7-173.70108.6L222 E223K214-L222 WeakPolarHBondContact O-CA 3.42Å; K214-E223 PolarHBondContact N-O 3.21Å; K214-E223 PolarHBondContact O-N 3.33Å
215E89.8Confident90.1Very high54 Ų5451.1 Ų51.125%0.25225%0.252SS..EExtended strand (participates in β ladder)trans-74.2124.4171.3-174.2167.7-162.200109.9K190 L222K190-E215 HydrophobicContact CB-CB 4.09Å; K190-E215 WeakPolarHBondContact CB-OE2 3.3Å; K190-E215 WeakPolarHBondContact O-CB 3.48Å; K190-E215 PolarHBondContact O-N 3.18Å; E215-L222 HydrophobicContact CB-CD2 4.43Å
216N88.5Confident90.3Very high37 Ų3749 Ų4920%0.19825%0.245CC..EExtended strand (participates in β ladder)trans-83.5122176.1-177.3-35000109.5E218 T219 G220 K221 E223N216-E218 VanDerWaalsContact C-N 3.25Å; N216-E218 PolarHBondContact O-N 2.98Å; N216-E218 PolarHBondContact OD1-N 3.46Å; N216-T219 PolarHBondContact O-N 3.19Å; N216-G220 PolarHBondContact O-N 3.2Å; N216-K221 PolarHBondContact N-O 3.35Å; N216-E223 WeakPolarHBondContact CB-OE2 3.46Å; N216-E223 PolarHBondContact ND2-OE1 2.95Å; N216-E223 PolarHBondContact ND2-OE2 3.01Å
217P83.2Confident90.4Very high97 Ų9745.6 Ų45.663%0.6323%0.228SC*.THydrogen-bonded Turntrans-65.4-24.5-174.426-34.5000114L189L189-P217 HydrophobicContact CD2-CB 3.98Å; L189-P217 HydrophobicContact CD2-CG 4.3Å
218E83.4Confident90.5Very high180 Ų18047.6 Ų47.684%0.84124%0.237SC*.THydrogen-bonded Turntrans-82.7-29.8-178.9-59.2-171.5171.500112.4N216N216-E218 VanDerWaalsContact C-N 3.25Å; N216-E218 PolarHBondContact O-N 2.98Å; N216-E218 PolarHBondContact OD1-N 3.46Å
219T81.1Confident90.5Very high62 Ų6247.2 Ų47.238%0.3824%0.235SC..THydrogen-bonded Turntrans-115.3-13-170.971.50000114.9N216 K221N216-T219 PolarHBondContact O-N 3.19Å; T219-K221 PolarHBondContact O-N 2.96Å; T219-K221 PolarHBondContact OG1-N 2.84Å
220G78.8Confident90.5Very high31 Ų3150.6 Ų50.632%0.3225%0.251SS..THydrogen-bonded Turntrans61.921.1-175.300000113.6S136 N216S136-G220 PolarHBondContact OG-O 3.34Å; N216-G220 PolarHBondContact O-N 3.2Å
221K83.6Confident90.4Very high125 Ų12548.5 Ų48.554%0.54324%0.242SC..EExtended strand (participates in β ladder)trans-107.6142.5-178.5-67.3166.9-170.6167.90109.8N216 T219 E223N216-K221 PolarHBondContact N-O 3.35Å; T219-K221 PolarHBondContact O-N 2.96Å; T219-K221 PolarHBondContact OG1-N 2.84Å; K221-E223 PolarHBondContact O-N 3.13Å
222L86.7Confident90.3Very high15 Ų1551.3 Ų51.38%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-77.3115.7166.6-80157.6000109.5V142 M192 K214 E215V142-L222 HydrophobicContact CG2-CB 4.2Å; V142-L222 HydrophobicContact CG2-CD1 3.91Å; M192-L222 HydrophobicContact CE-CD1 3.68Å; K214-L222 WeakPolarHBondContact O-CA 3.42Å; E215-L222 HydrophobicContact CB-CD2 4.43Å
223E90.5Very high90Very high91 Ų9153.4 Ų53.443%0.42527%0.269SS..EExtended strand (participates in β ladder)trans-105.3145174.9-72.3169.3178.200108.9S213 K214 N216 K221 R225S213-E223 CarbonylContact C-O 3.5Å; S213-E223 WeakPolarHBondContact CA-O 3.49Å; S213-E223 WeakPolarHBondContact CB-O 3.35Å; K214-E223 PolarHBondContact N-O 3.21Å; K214-E223 PolarHBondContact O-N 3.33Å; N216-E223 WeakPolarHBondContact CB-OE2 3.46Å; N216-E223 PolarHBondContact ND2-OE1 2.95Å; N216-E223 PolarHBondContact ND2-OE2 3.01Å; K221-E223 PolarHBondContact O-N 3.13Å; E223-R225 PolarHBondContact O-N 3.32Å
224F93.3Very high89.6Confident17 Ų1763.5 Ų63.58%0.07531%0.309CS..EExtended strand (participates in β ladder)trans-79.2123.2-178.7-67.2-70.6000109.6V142 K145 A146 K149 T211 I227 E242 N244V142-F224 HydrophobicContact CG1-CD1 4.44Å; V142-F224 HydrophobicContact CG1-CE1 3.45Å; V142-F224 VanDerWaalsContact CG1-CE1 3.45Å; V142-F224 HydrophobicContact CG1-CZ 3.87Å; K145-F224 HydrophobicContact CB-CE2 3.81Å; K145-F224 HydrophobicContact CB-CZ 3.7Å; K145-F224 HydrophobicContact CD-CE2 4.34Å; A146-F224 HydrophobicContact CB-CE1 3.91Å; A146-F224 HydrophobicContact CB-CZ 4Å; K149-F224 HydrophobicContact CD-CD2 4.39Å; T211-F224 HydrophobicContact CG2-CD1 3.45Å; T211-F224 VanDerWaalsContact CG2-CD1 3.45Å; T211-F224 HydrophobicContact CG2-CE1 3.54Å; F224-I227 HydrophobicContact CB-CD1 4.26Å; F224-I227 HydrophobicContact CB-CG1 4.18Å; F224-I227 HydrophobicContact CD1-CD1 3.92Å; F224-I227 HydrophobicContact CD1-CG1 3.99Å; F224-I227 HydrophobicContact CD2-CD1 4.1Å; F224-I227 HydrophobicContact CE1-CD1 4.25Å; F224-I227 HydrophobicContact CE2-CD1 4.42Å; F224-I227 HydrophobicContact CG-CD1 3.83Å; F224-I227 HydrophobicContact CG-CG1 4.11Å; F224-I227 HydrophobicContact CZ-CD1 4.49Å; F224-E242 WeakPolarHBondContact CB-OE2 3.34Å; F224-N244 PolarHBondContact O-ND2 3.01Å
225R93.3Very high89.2Confident73 Ų7363.7 Ų63.728%0.27532%0.319SS..EExtended strand (participates in β ladder)trans-82.1-42171.8-168.8-178.8-177.8-154.5-1.9110.8E212 E223 N244 R245E212-R225 HydrophobicContact CG-CB 4.43Å; E212-R225 PolarHBondContact O-N 3.13Å; E212-R225 WeakPolarHBondContact OE1-CD 3.42Å; E212-R225 IonicContact OE1-NH1 3.29Å; E212-R225 PolarHBondContact OE1-NH1 3.47Å; E223-R225 PolarHBondContact O-N 3.32Å; R225-N244 WeakPolarHBondContact CG-O 3.39Å; R225-N244 CarbonylContact O-C 3.59Å; R225-N244 WeakPolarHBondContact O-CA 3.31Å; R225-N244 PolarHBondContact O-N 2.81Å; R225-R245 VanDerWaalsContact CZ-OXT 3.26Å; R225-R245 PolarHBondContact NE-OXT 2.92Å; R225-R245 PolarHBondContact NH2-OXT 3.44Å
226Y95.1Very high89.2Confident34 Ų3470.2 Ų70.213%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-153.3150.6168.660.3-102.9000111.7T211 E212 F228 E242 R245T211-Y226 WeakPolarHBondContact CA-O 3.48Å; E212-Y226 HydrophobicContact CB-CD1 3.95Å; E212-Y226 HydrophobicContact CB-CD2 4.32Å; E212-Y226 HydrophobicContact CB-CE1 3.44Å; E212-Y226 VanDerWaalsContact CB-CE1 3.44Å; E212-Y226 HydrophobicContact CB-CE2 3.85Å; E212-Y226 HydrophobicContact CB-CG 4.37Å; E212-Y226 HydrophobicContact CG-CE1 4.18Å; E212-Y226 PolarHBondContact N-O 3.1Å; E212-Y226 VanDerWaalsContact N-O 3.07Å; E212-Y226 PolarHBondContact O-N 3.19Å; E212-Y226 PolarHBondContact OE2-OH 3.36Å; Y226-F228 AromaticContact CD2-CD1 3.53Å; Y226-F228 HydrophobicContact CD2-CD1 3.53Å; Y226-F228 AromaticContact CD2-CE1 3.57Å; Y226-F228 HydrophobicContact CD2-CE1 3.57Å; Y226-F228 AromaticContact CE2-CD1 3.87Å; Y226-F228 HydrophobicContact CE2-CD1 3.87Å; Y226-F228 AromaticContact CE2-CE1 3.4Å; Y226-F228 HydrophobicContact CE2-CE1 3.4Å; Y226-F228 HydrophobicContact CE2-CZ 4.42Å; Y226-F228 HydrophobicContact CG-CD1 4.44Å; Y226-E242 CarbonylContact C-O 3.56Å; Y226-E242 WeakPolarHBondContact CA-O 3.42Å; Y226-R245 HydrophobicContact CD1-CG 4.46Å
227I95.9Very high89.4Confident0 Ų074.4 Ų74.40%035%0.354CS..EExtended strand (participates in β ladder)trans-132120.5167-52.8178.1000107.1A146 K149 V209 T211 F224 I241 E242A146-I227 HydrophobicContact CB-CD1 4.31Å; K149-I227 HydrophobicContact CB-CD1 4.2Å; K149-I227 HydrophobicContact CD-CD1 3.75Å; V209-I227 HydrophobicContact CG1-CG2 4.16Å; T211-I227 HydrophobicContact CG2-CG1 3.98Å; F224-I227 HydrophobicContact CB-CD1 4.26Å; F224-I227 HydrophobicContact CB-CG1 4.18Å; F224-I227 HydrophobicContact CD1-CD1 3.92Å; F224-I227 HydrophobicContact CD1-CG1 3.99Å; F224-I227 HydrophobicContact CD2-CD1 4.1Å; F224-I227 HydrophobicContact CE1-CD1 4.25Å; F224-I227 HydrophobicContact CE2-CD1 4.42Å; F224-I227 HydrophobicContact CG-CD1 3.83Å; F224-I227 HydrophobicContact CG-CG1 4.11Å; F224-I227 HydrophobicContact CZ-CD1 4.49Å; I227-I241 HydrophobicContact CB-CB 4.25Å; I227-I241 HydrophobicContact CG2-CB 4.26Å; I227-I241 HydrophobicContact CG2-CD1 3.71Å; I227-I241 PolarHBondContact O-N 3.07Å; I227-E242 HydrophobicContact CB-CB 4.3Å; I227-E242 HydrophobicContact CD1-CB 4.48Å; I227-E242 WeakPolarHBondContact CD1-OE2 3.2Å; I227-E242 HydrophobicContact CG1-CB 4.31Å; I227-E242 PolarHBondContact N-O 3.41Å; I227-E242 PolarHBondContact O-N 3.26Å
228F95.9Very high90Very high43 Ų4373.8 Ų73.819%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-135.9151.5171.565.4-99.3000112.1H210 Y226 T238 I239 V240H210-F228 HydrophobicContact CB-CD1 4.34Å; H210-F228 HydrophobicContact CB-CD2 3.96Å; H210-F228 HydrophobicContact CB-CE1 3.9Å; H210-F228 HydrophobicContact CB-CE2 3.48Å; H210-F228 VanDerWaalsContact CB-CE2 3.48Å; H210-F228 HydrophobicContact CB-CG 4.38Å; H210-F228 HydrophobicContact CB-CZ 3.44Å; H210-F228 VanDerWaalsContact CB-CZ 3.44Å; H210-F228 AromaticContact CD2-CE2 3.82Å; H210-F228 AromaticContact CG-CE2 3.82Å; H210-F228 AromaticContact CG-CZ 3.93Å; H210-F228 PolarHBondContact N-O 3.22Å; H210-F228 PolarHBondContact O-N 2.92Å; Y226-F228 AromaticContact CD2-CD1 3.53Å; Y226-F228 HydrophobicContact CD2-CD1 3.53Å; Y226-F228 AromaticContact CD2-CE1 3.57Å; Y226-F228 HydrophobicContact CD2-CE1 3.57Å; Y226-F228 AromaticContact CE2-CD1 3.87Å; Y226-F228 HydrophobicContact CE2-CD1 3.87Å; Y226-F228 AromaticContact CE2-CE1 3.4Å; Y226-F228 HydrophobicContact CE2-CE1 3.4Å; Y226-F228 HydrophobicContact CE2-CZ 4.42Å; Y226-F228 HydrophobicContact CG-CD1 4.44Å; F228-T238 HydrophobicContact CB-CG2 4.02Å; F228-T238 HydrophobicContact CD2-CG2 3.63Å; F228-T238 HydrophobicContact CE2-CG2 4.4Å; F228-T238 HydrophobicContact CG-CG2 4.1Å; F228-I239 CarbonylContact C-O 3.5Å; F228-I239 WeakPolarHBondContact CA-O 3.45Å; F228-I239 WeakPolarHBondContact CB-O 3.35Å; F228-V240 HydrophobicContact CB-CG2 4.42Å
229V96.3Very high90.5Very high0 Ų065.5 Ų65.50%031%0.31CS..EExtended strand (participates in β ladder)trans-113.2118.1177.6-172.60000108.3T150 V156 F160 I198 V209 T238 I239 I241T150-V229 HydrophobicContact CG2-CG2 3.88Å; V156-V229 HydrophobicContact CG2-CG2 4.07Å; F160-V229 HydrophobicContact CE2-CG1 3.89Å; F160-V229 HydrophobicContact CZ-CG1 4.09Å; I198-V229 HydrophobicContact CD1-CG1 3.68Å; I198-V229 HydrophobicContact CG1-CG1 4.39Å; V209-V229 HydrophobicContact CG1-CG2 4.38Å; V209-V229 HydrophobicContact CG2-CG1 4.26Å; V209-V229 HydrophobicContact CG2-CG2 4.09Å; V229-T238 CarbonylContact O-C 3.47Å; V229-T238 WeakPolarHBondContact O-CA 3.29Å; V229-I239 HydrophobicContact CB-CB 4.32Å; V229-I239 PolarHBondContact N-O 3.48Å; V229-I239 PolarHBondContact O-N 2.95Å; V229-I241 HydrophobicContact CG2-CD1 3.5Å; V229-I241 VanDerWaalsContact CG2-CD1 3.5Å; V229-I241 HydrophobicContact CG2-CG1 4.42Å
230E95.7Very high91.2Very high70 Ų7066.1 Ų66.133%0.32731%0.313SS..EExtended strand (participates in β ladder)trans-85125.7165.3-171.7173.9177.600108.4G207 T208G207-E230 CarbonylContact C-O 3.56Å; G207-E230 WeakPolarHBondContact CA-O 3.42Å; T208-E230 PolarHBondContact N-O 3.49Å; T208-E230 PolarHBondContact O-N 3.39Å
231V94.8Very high92Very high5 Ų565.9 Ų65.93%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-87.4114.3175.2-1760000108V159 F160 T233 R237 I239V159-V231 HydrophobicContact CG1-CG1 3.95Å; V159-V231 HydrophobicContact CG1-CG2 3.89Å; F160-V231 HydrophobicContact CE2-CG2 4.16Å; F160-V231 HydrophobicContact CZ-CG1 4.35Å; F160-V231 HydrophobicContact CZ-CG2 4.01Å; V231-T233 VanDerWaalsContact C-N 3.32Å; V231-R237 HydrophobicContact CB-CG 4.09Å; V231-R237 WeakPolarHBondContact CB-O 3.49Å; V231-R237 HydrophobicContact CG2-CG 3.79Å; V231-R237 WeakPolarHBondContact CG2-O 3.39Å; V231-R237 PolarHBondContact N-O 2.8Å; V231-I239 HydrophobicContact CG2-CD1 3.97Å
232D91.9Very high92.4Very high62 Ų6261.7 Ų61.733%0.33229%0.287SS..  trans-73.2-30.8-176.8-56.6-40.8000111Q206 G207 T208Q206-D232 PolarHBondContact O-N 2.82Å; G207-D232 VanDerWaalsContact CA-OD2 3.32Å; G207-D232 WeakPolarHBondContact CA-OD2 3.26Å; G207-D232 PolarHBondContact N-OD2 3.14Å; T208-D232 PolarHBondContact OG1-OD1 2.99Å; T208-D232 PolarHBondContact OG1-OD2 2.92Å
233T87.9Confident92.7Very high44 Ų4464.9 Ų64.927%0.2730%0.304SS..SBendtrans-70.3144.8178.3-43.20000111.8G204 R205 Q206 V231 P235 R236G204-T233 PolarHBondContact O-OG1 3.43Å; R205-T233 WeakPolarHBondContact CA-OG1 3.33Å; Q206-T233 PolarHBondContact N-OG1 3.48Å; Q206-T233 VanDerWaalsContact N-OG1 3.11Å; V231-T233 VanDerWaalsContact C-N 3.32Å; T233-P235 CarbonylContact O-C 3.57Å; T233-R236 PolarHBondContact O-N 3.09Å
234Y83.4Confident92.6Very high212 Ų21265.1 Ų65.183%0.83131%0.308SS*.SBendtrans-72.7137.6176.6-171.3-92.7000111.8
235P85.1Confident91.7Very high86 Ų8673 Ų7356%0.55834%0.337SS*.SBendcis-75133-4.931.2-34.4000111.9T233 R237T233-P235 CarbonylContact O-C 3.57Å; P235-R237 PolarHBondContact O-N 3.27Å
236R89.9Confident91.7Very high190 Ų19073 Ų7372%0.71734%0.34SS*.PPolyproline II helixtrans-64.4125.1176.8-68-170.6-177.3174.54.5109.7T233T233-R236 PolarHBondContact O-N 3.09Å
237R92.2Very high91.5Very high126 Ų12675 Ų7548%0.47535%0.351SS..  trans-141.9152.2175.955.9173.7161.8173.5-8110.2V231 P235V231-R237 HydrophobicContact CB-CG 4.09Å; V231-R237 WeakPolarHBondContact CB-O 3.49Å; V231-R237 HydrophobicContact CG2-CG 3.79Å; V231-R237 WeakPolarHBondContact CG2-O 3.39Å; V231-R237 PolarHBondContact N-O 2.8Å; P235-R237 PolarHBondContact O-N 3.27Å
238T94.8Very high91.2Very high84 Ų8479.2 Ų79.252%0.51537%0.371SS..EExtended strand (participates in β ladder)trans-108.7125.4173.9-53.70000109F228 V229F228-T238 HydrophobicContact CB-CG2 4.02Å; F228-T238 HydrophobicContact CD2-CG2 3.63Å; F228-T238 HydrophobicContact CE2-CG2 4.4Å; F228-T238 HydrophobicContact CG-CG2 4.1Å; V229-T238 CarbonylContact O-C 3.47Å; V229-T238 WeakPolarHBondContact O-CA 3.29Å
239I95Very high91Very high5 Ų581.3 Ų81.33%0.02638%0.381CS..EExtended strand (participates in β ladder)trans-103.2123.3178.6-61.6160.5000107.4E155 V156 V159 F228 V229 V231 I241E155-I239 HydrophobicContact CB-CG2 3.98Å; E155-I239 WeakPolarHBondContact OE2-CG2 3.3Å; V156-I239 HydrophobicContact CG2-CD1 4.31Å; V156-I239 HydrophobicContact CG2-CG2 3.84Å; V159-I239 HydrophobicContact CB-CD1 4.34Å; V159-I239 HydrophobicContact CG2-CD1 3.45Å; V159-I239 VanDerWaalsContact CG2-CD1 3.45Å; F228-I239 CarbonylContact C-O 3.5Å; F228-I239 WeakPolarHBondContact CA-O 3.45Å; F228-I239 WeakPolarHBondContact CB-O 3.35Å; V229-I239 HydrophobicContact CB-CB 4.32Å; V229-I239 PolarHBondContact N-O 3.48Å; V229-I239 PolarHBondContact O-N 2.95Å; V231-I239 HydrophobicContact CG2-CD1 3.97Å; I239-I241 HydrophobicContact CG2-CG1 4.47Å
240V95.7Very high90.6Very high75 Ų7586.4 Ų86.446%0.45541%0.405SS..EExtended strand (participates in β ladder)trans-97.7114.5177.6-177.70000107.9F228 D243F228-V240 HydrophobicContact CB-CG2 4.42Å; V240-D243 HydrophobicContact CG1-CB 3.77Å
241I94.6Very high90.3Very high27 Ų2787.5 Ų87.514%0.13841%0.41CS..EExtended strand (participates in β ladder)trans-88.8-35.9-179.3-64.6154.6000110.6K149 T150 H153 V156 I227 V229 I239K149-I241 HydrophobicContact CB-CG2 4.26Å; T150-I241 HydrophobicContact CG2-CD1 4.01Å; T150-I241 WeakPolarHBondContact OG1-CD1 3.43Å; H153-I241 HydrophobicContact CB-CG1 4.08Å; H153-I241 HydrophobicContact CB-CG2 4.3Å; V156-I241 HydrophobicContact CG2-CD1 4.13Å; V156-I241 HydrophobicContact CG2-CG1 4.1Å; I227-I241 HydrophobicContact CB-CB 4.25Å; I227-I241 HydrophobicContact CG2-CB 4.26Å; I227-I241 HydrophobicContact CG2-CD1 3.71Å; I227-I241 PolarHBondContact O-N 3.07Å; V229-I241 HydrophobicContact CG2-CD1 3.5Å; V229-I241 VanDerWaalsContact CG2-CD1 3.5Å; V229-I241 HydrophobicContact CG2-CG1 4.42Å; I239-I241 HydrophobicContact CG2-CG1 4.47Å
242E93.5Very high90Very high37 Ų3793.4 Ų93.417%0.17344%0.438CS..EExtended strand (participates in β ladder)trans-153.6129.7-176.3-178.5168.8-149.700108K149 F224 Y226 I227 N244K149-E242 WeakPolarHBondContact CD-OE2 3.45Å; K149-E242 IonicContact NZ-OE1 3.58Å; K149-E242 PolarHBondContact NZ-OE1 3.48Å; K149-E242 IonicContact NZ-OE2 2.66Å; K149-E242 PolarHBondContact NZ-OE2 2.93Å; F224-E242 WeakPolarHBondContact CB-OE2 3.34Å; Y226-E242 CarbonylContact C-O 3.56Å; Y226-E242 WeakPolarHBondContact CA-O 3.42Å; I227-E242 HydrophobicContact CB-CB 4.3Å; I227-E242 HydrophobicContact CD1-CB 4.48Å; I227-E242 WeakPolarHBondContact CD1-OE2 3.2Å; I227-E242 HydrophobicContact CG1-CB 4.31Å; I227-E242 PolarHBondContact N-O 3.41Å; I227-E242 PolarHBondContact O-N 3.26Å; E242-N244 WeakPolarHBondContact CG-ND2 3.41Å; E242-N244 PolarHBondContact OE1-ND2 3.27Å
243D92.8Very high89.8Confident81 Ų8195.8 Ų95.843%0.43345%0.446SS..EExtended strand (participates in β ladder)trans-140.4103.2175.6-1568.2000110V240 R245V240-D243 HydrophobicContact CG1-CB 3.77Å; D243-R245 WeakPolarHBondContact OD1-CB 3.4Å; D243-R245 WeakPolarHBondContact OD1-CD 3.48Å; D243-R245 WeakPolarHBondContact OD1-CG 3.45Å; D243-R245 IonicContact OD1-NE 3.21Å; D243-R245 PolarHBondContact OD1-NE 2.98Å; D243-R245 IonicContact OD2-NE 3.99Å
244N88.3Confident90Very high97 Ų97100.1 Ų100.152%0.51946%0.46SS..  trans-116.750.1-179.2-58.6-43.2000108.4F224 R225 E242F224-N244 PolarHBondContact O-ND2 3.01Å; R225-N244 WeakPolarHBondContact CG-O 3.39Å; R225-N244 CarbonylContact O-C 3.59Å; R225-N244 WeakPolarHBondContact O-CA 3.31Å; R225-N244 PolarHBondContact O-N 2.81Å; E242-N244 WeakPolarHBondContact CG-ND2 3.41Å; E242-N244 PolarHBondContact OE1-ND2 3.27Å
245R74.4Confident90.6Very high181 Ų18189.9 Ų89.968%0.68343%0.427SS*.  trans-75.80-161.2-107.6173.3-163.2-166.7-0.6116.3R225 Y226 D243R225-R245 VanDerWaalsContact CZ-OXT 3.26Å; R225-R245 PolarHBondContact NE-OXT 2.92Å; R225-R245 PolarHBondContact NH2-OXT 3.44Å; Y226-R245 HydrophobicContact CD1-CG 4.46Å; D243-R245 WeakPolarHBondContact OD1-CB 3.4Å; D243-R245 WeakPolarHBondContact OD1-CD 3.48Å; D243-R245 WeakPolarHBondContact OD1-CG 3.45Å; D243-R245 IonicContact OD1-NE 3.21Å; D243-R245 PolarHBondContact OD1-NE 2.98Å; D243-R245 IonicContact OD2-NE 3.99Å

Retrieved 245 of 245 residues in 513.6 ms (Link to these results)

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