A0A087Y5I4_POEFO Loading...

Ribosome assembly factor mrt4

Component of the ribosome assembly machinery. Nuclear paralog of the ribosomal protein P0, it binds pre-60S subunits at an early stage of assembly in the nucleolus, and is replaced by P0 in cytoplasmic pre-60S subunits and mature 80S ribosomes.

AlphaFold DB , UniProt , Accession A0A087Y5I4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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
1M63.5Low79.1Confident233 Ų233169.5 Ų169.5100%1.14884%0.838SS**  0133.70-78.8173.3169.600108.5K3M1-K3 PolarHBondContact O-N 3.34Å
2P75Confident79.9Confident129 Ų129169.5 Ų169.584%0.83884%0.842SS**  trans-58.5135.3170.8-15.928.6000109.4S4P2-S4 PolarHBondContact O-N 3.42Å
3K69.3Low80.5Confident190 Ų190163.7 Ų163.783%0.82682%0.821SS**  trans-56.7135176-75.1-177176.3179.70109M1 K5M1-K3 PolarHBondContact O-N 3.34Å; K3-K5 PolarHBondContact O-N 3.46Å
4S76.9Confident80.7Confident131 Ų131167.4 Ų167.492%0.91683%0.83SS**  trans-56.9103.4174-175.20000109P2P2-S4 PolarHBondContact O-N 3.42Å
5K81.4Confident80.9Confident177 Ų177164.3 Ų164.377%0.7782%0.824SS**PPolyproline II helixtrans-98.7128.5175.5-74-171.7178-170.70107.6K3K3-K5 PolarHBondContact O-N 3.46Å
6R83.8Confident80.9Confident244 Ų244159.4 Ų159.492%0.92182%0.817SS**PPolyproline II helixtrans-62.8139.6173-72.1-179177.6175.7-0.1109.1K8R6-K8 PolarHBondContact O-N 3.31Å
7D84.6Confident80.9Confident156 Ų156161 Ų16183%0.83482%0.816SS**PPolyproline II helixtrans-62.6124.6177-169.110.8000110.3
8K83.3Confident80.9Confident173 Ų173162.2 Ų162.275%0.75282%0.815SS**  trans-94106.2-177.6-171.5174.9-176.2172.80107.5R6 I10R6-K8 PolarHBondContact O-N 3.31Å; K8-I10 WeakPolarHBondContact O-CG1 3.34Å; K8-I10 PolarHBondContact O-N 2.91Å
9K84.4Confident81Confident202 Ų202155.9 Ų155.988%0.87880%0.795SS**  trans-59.1109174.1-69.8-175.7180-179.60109.9
10I83.1Confident81.3Confident148 Ų148154 Ų15476%0.75979%0.786SS**  trans-81.9118.8177.1-55.3176.5000108.4K8K8-I10 WeakPolarHBondContact O-CG1 3.34Å; K8-I10 PolarHBondContact O-N 2.91Å
11S84.4Confident81.6Confident82 Ų82154.3 Ų154.357%0.57379%0.785SS**  trans-84.3129.2174.7-178.90000110.1T13S11-T13 PolarHBondContact O-N 3.3Å; S11-T13 VanDerWaalsContact O-N 3.16Å; S11-T13 VanDerWaalsContact OG-CG2 3.32Å; S11-T13 WeakPolarHBondContact OG-CG2 3.33Å; S11-T13 PolarHBondContact OG-OG1 3.01Å; S11-T13 VanDerWaalsContact OG-OG1 3.11Å
12L88.8Confident82.8Confident169 Ų169145.8 Ų145.889%0.88575%0.748SS**  trans-82.525.6177.2-59.1176.8000112.9
13T87.9Confident83.4Confident94 Ų94144.5 Ų144.558%0.57773%0.729SS**  trans-69.7144.5-179.942.60000111S11 T15S11-T13 PolarHBondContact O-N 3.3Å; S11-T13 VanDerWaalsContact O-N 3.16Å; S11-T13 VanDerWaalsContact OG-CG2 3.32Å; S11-T13 WeakPolarHBondContact OG-CG2 3.33Å; S11-T13 PolarHBondContact OG-OG1 3.01Å; S11-T13 VanDerWaalsContact OG-OG1 3.11Å; T13-T15 PolarHBondContact O-N 3.47Å
14K83.9Confident84.4Confident216 Ų216140.1 Ų140.194%0.93971%0.712SS**SBendtrans-76.75.2-178.8-65.5-174.9177.1-178.60113.9A16K14-A16 PolarHBondContact O-N 2.8Å
15T82.8Confident85.1Confident121 Ų121139.8 Ų139.874%0.74269%0.694SS**  trans-91.7107.2-170.9-34.50000109.8T13T13-T15 PolarHBondContact O-N 3.47Å
16A81.4Confident85.6Confident86 Ų86133.4 Ų133.471%0.71167%0.668SS**  trans-72.2146.8174.800000111.3K14 K18K14-A16 PolarHBondContact O-N 2.8Å; A16-K18 PolarHBondContact O-N 2.91Å
17K80.3Confident85.9Confident186 Ų186123.4 Ų123.481%0.80963%0.633SS**  trans-63.3134.4171.7-69.5-174.8174.6-171.10109.5G19K17-G19 PolarHBondContact O-N 2.85Å
18K81.4Confident86.3Confident182 Ų182121 Ų12179%0.79162%0.616SS**  trans-77.7114.3171.9-68.3-173.2180-178.20108.9A16A16-K18 PolarHBondContact O-N 2.91Å
19G83.6Confident86.8Confident43 Ų43116.5 Ų116.544%0.44360%0.598SS.*  trans-89.9-162.8-178.600000114.2K17 E21 S22K17-G19 PolarHBondContact O-N 2.85Å; G19-E21 PolarHBondContact O-N 2.89Å; G19-S22 PolarHBondContact O-N 2.76Å
20L86.1Confident87.3Confident117 Ų117107 Ų10761%0.61356%0.556SS**Hα-helixtrans-53.1-38.2180-170.175.7000113.2S22 K23 Q24L20-S22 VanDerWaalsContact C-N 3.27Å; L20-S22 PolarHBondContact O-N 2.94Å; L20-K23 WeakPolarHBondContact O-CA 3.3Å; L20-K23 WeakPolarHBondContact O-CB 3.46Å; L20-K23 PolarHBondContact O-N 2.78Å; L20-Q24 HydrophobicContact CG-CG 4.48Å; L20-Q24 PolarHBondContact O-N 2.88Å
21E88.7Confident87.7Confident161 Ų161104 Ų10475%0.75254%0.536SS*.Hα-helixtrans-56.5-38.6-179.5-63.9177.8171.500112.8G19 K23 Q24 K25G19-E21 PolarHBondContact O-N 2.89Å; E21-K23 VanDerWaalsContact C-N 3.31Å; E21-K23 PolarHBondContact O-N 2.87Å; E21-Q24 PolarHBondContact O-N 2.99Å; E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 PolarHBondContact O-N 3.16Å
22S86.9Confident88.2Confident55 Ų55105.9 Ų105.939%0.38553%0.533SS..Hα-helixtrans-68.1-33.3177.9-670000112G19 L20 L26G19-S22 PolarHBondContact O-N 2.76Å; L20-S22 VanDerWaalsContact C-N 3.27Å; L20-S22 PolarHBondContact O-N 2.94Å; S22-L26 PolarHBondContact O-N 2.84Å; S22-L26 VanDerWaalsContact O-N 3.15Å
23K88.5Confident88.4Confident101 Ų10198.5 Ų98.544%0.43950%0.496SS..Hα-helixtrans-71.3-42.3175.9-61.3177.5-177.9170.80110.6L20 E21 L26 I27 V72L20-K23 WeakPolarHBondContact O-CA 3.3Å; L20-K23 WeakPolarHBondContact O-CB 3.46Å; L20-K23 PolarHBondContact O-N 2.78Å; E21-K23 VanDerWaalsContact C-N 3.31Å; E21-K23 PolarHBondContact O-N 2.87Å; K23-L26 WeakPolarHBondContact O-CB 3.46Å; K23-L26 PolarHBondContact O-N 2.62Å; K23-I27 WeakPolarHBondContact O-CG1 3.47Å; K23-I27 PolarHBondContact O-N 3.45Å; K23-I27 VanDerWaalsContact O-N 3.1Å; K23-V72 HydrophobicContact CB-CG1 4.47Å; K23-V72 HydrophobicContact CD-CG2 4.49Å
24Q90.6Very high88.7Confident98 Ų9894.1 Ų94.146%0.45847%0.469SS..Hα-helixtrans-62.7-45.5175.9-71.7174.8-14.300111.7L20 E21 L26 I27 E28L20-Q24 HydrophobicContact CG-CG 4.48Å; L20-Q24 PolarHBondContact O-N 2.88Å; E21-Q24 PolarHBondContact O-N 2.99Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 3.42Å; Q24-I27 WeakPolarHBondContact O-CB 3.39Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.1Å; Q24-E28 PolarHBondContact O-N 2.89Å
25K91.8Very high89.1Confident125 Ų12587.7 Ų87.754%0.54345%0.445SS..Hα-helixtrans-58.6-40.6175.3-173.3175.2178.9177.30112.4E21 E28 E29E21-K25 WeakPolarHBondContact O-CB 3.46Å; E21-K25 PolarHBondContact O-N 3.16Å; K25-E28 PolarHBondContact O-N 3.23Å; K25-E29 WeakPolarHBondContact CE-OE1 3.49Å; K25-E29 WeakPolarHBondContact O-CB 3.42Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 2.99Å
26L90.8Very high89.6Confident43 Ų4386.6 Ų86.623%0.22544%0.438CS..Hα-helixtrans-61.3-43.5175.4-178.567.3000111.7S22 K23 Q24 E29 L30 F66 V72S22-L26 PolarHBondContact O-N 2.84Å; S22-L26 VanDerWaalsContact O-N 3.15Å; K23-L26 WeakPolarHBondContact O-CB 3.46Å; K23-L26 PolarHBondContact O-N 2.62Å; Q24-L26 VanDerWaalsContact C-N 3.29Å; Q24-L26 PolarHBondContact O-N 3.42Å; L26-E29 PolarHBondContact O-N 2.92Å; L26-L30 WeakPolarHBondContact O-CB 3.23Å; L26-L30 PolarHBondContact O-N 2.95Å; L26-F66 HydrophobicContact CD1-CD1 3.58Å; L26-F66 HydrophobicContact CD1-CE1 3.97Å; L26-V72 HydrophobicContact CD2-CG1 4.05Å
27I91.7Very high90.2Very high34 Ų3483.9 Ų83.917%0.17441%0.41CS..Hα-helixtrans-62-46.7177.5-68.2166.3000110.7K23 Q24 L30 R31 V72 V75 A76K23-I27 WeakPolarHBondContact O-CG1 3.47Å; K23-I27 PolarHBondContact O-N 3.45Å; K23-I27 VanDerWaalsContact O-N 3.1Å; Q24-I27 WeakPolarHBondContact O-CB 3.39Å; Q24-I27 PolarHBondContact O-N 3.35Å; Q24-I27 VanDerWaalsContact O-N 3.1Å; I27-L30 PolarHBondContact O-N 2.73Å; I27-R31 PolarHBondContact O-N 3.21Å; I27-V72 HydrophobicContact CD1-CG1 4.01Å; I27-V72 HydrophobicContact CG1-CG1 3.7Å; I27-V75 HydrophobicContact CD1-CG1 4.3Å; I27-A76 HydrophobicContact CB-CB 4.26Å; I27-A76 HydrophobicContact CG1-CB 4.16Å; I27-A76 HydrophobicContact CG2-CB 3.94Å
28E93.2Very high90.9Very high104 Ų10481.4 Ų81.449%0.48640%0.395SS..Hα-helixtrans-62.3-43.8178.1-71.2178.9-163.300112.5Q24 K25 L30 R31 K32Q24-E28 PolarHBondContact O-N 2.89Å; K25-E28 PolarHBondContact O-N 3.23Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.41Å; E28-R31 PolarHBondContact O-N 3.49Å; E28-K32 WeakPolarHBondContact O-CB 3.34Å; E28-K32 WeakPolarHBondContact O-CD 3.22Å; E28-K32 VanDerWaalsContact O-CG 3.23Å; E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.09Å; E28-K32 IonicContact OE2-NZ 3.28Å
29E93.7Very high91.5Very high80 Ų8073.3 Ų73.337%0.37436%0.361SS..Hα-helixtrans-62.9-38.7177-76.5179.5-175.400111.7K25 L26 K32 C33 F66K25-E29 WeakPolarHBondContact CE-OE1 3.49Å; K25-E29 WeakPolarHBondContact O-CB 3.42Å; K25-E29 WeakPolarHBondContact O-CG 3.5Å; K25-E29 PolarHBondContact O-N 2.99Å; L26-E29 PolarHBondContact O-N 2.92Å; E29-K32 PolarHBondContact O-N 3.36Å; E29-C33 PolarHBondContact O-N 3.18Å; E29-C33 PolarHBondContact O-SG 3.08Å; E29-F66 HydrophobicContact CB-CE1 4.1Å; E29-F66 HydrophobicContact CB-CZ 4.21Å
30L93Very high92Very high1 Ų171.3 Ų71.31%0.00534%0.34CS..Hα-helixtrans-66.6-47.5178.8-158.4157000110.8L26 I27 E28 K32 C33 V34 M73 A76 L77 F104L26-L30 WeakPolarHBondContact O-CB 3.23Å; L26-L30 PolarHBondContact O-N 2.95Å; I27-L30 PolarHBondContact O-N 2.73Å; E28-L30 VanDerWaalsContact C-N 3.3Å; E28-L30 PolarHBondContact O-N 3.41Å; L30-K32 PolarHBondContact O-N 3.15Å; L30-C33 WeakPolarHBondContact O-CB 3.46Å; L30-C33 PolarHBondContact O-N 2.78Å; L30-V34 HydrophobicContact CD2-CG2 4.11Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.06Å; L30-M73 HydrophobicContact CD1-CB 4.1Å; L30-M73 HydrophobicContact CD1-CG 3.96Å; L30-A76 HydrophobicContact CB-CB 4.1Å; L30-A76 HydrophobicContact CD1-CB 4Å; L30-A76 HydrophobicContact CD2-CB 3.92Å; L30-A76 HydrophobicContact CG-CB 4.22Å; L30-L77 HydrophobicContact CD2-CD2 3.43Å; L30-L77 VanDerWaalsContact CD2-CD2 3.43Å; L30-L77 HydrophobicContact CD2-CG 3.93Å; L30-F104 HydrophobicContact CD2-CE2 4.21Å; L30-F104 HydrophobicContact CD2-CZ 3.77Å; L30-F104 HydrophobicContact CG-CE2 4.05Å; L30-F104 HydrophobicContact CG-CZ 4.12Å
31R92.4Very high92.4Very high85 Ų8565.8 Ų65.832%0.32131%0.311SS..Hα-helixtrans-60.4-42.4175.4-71.8179.4177.2178-1.7112.4I27 E28 C33 V34 D35 A76 Y85I27-R31 PolarHBondContact O-N 3.21Å; E28-R31 PolarHBondContact O-N 3.49Å; R31-C33 VanDerWaalsContact C-N 3.26Å; R31-C33 PolarHBondContact O-N 2.8Å; R31-V34 WeakPolarHBondContact O-CB 3.24Å; R31-V34 PolarHBondContact O-N 3.14Å; R31-V34 VanDerWaalsContact O-N 3.12Å; R31-D35 PolarHBondContact O-N 2.74Å; R31-A76 PolarHBondContact NE-O 3.1Å; R31-Y85 HydrophobicContact CB-CE1 4.2Å; R31-Y85 HydrophobicContact CG-CD1 4.41Å; R31-Y85 HydrophobicContact CG-CD2 4.32Å; R31-Y85 HydrophobicContact CG-CE1 4.42Å; R31-Y85 HydrophobicContact CG-CE2 4.37Å; R31-Y85 HydrophobicContact CG-CG 4.35Å
32K94.8Very high92.7Very high122 Ų12258.1 Ų58.153%0.5328%0.275SS..Hα-helixtrans-57.9-38.7172.9-72.8166.3-174.1164.90112.3E28 E29 L30 D35 T36E28-K32 WeakPolarHBondContact O-CB 3.34Å; E28-K32 WeakPolarHBondContact O-CD 3.22Å; E28-K32 VanDerWaalsContact O-CG 3.23Å; E28-K32 WeakPolarHBondContact O-CG 3.32Å; E28-K32 PolarHBondContact O-N 3.09Å; E28-K32 IonicContact OE2-NZ 3.28Å; E29-K32 PolarHBondContact O-N 3.36Å; L30-K32 PolarHBondContact O-N 3.15Å; K32-D35 PolarHBondContact O-N 2.91Å; K32-T36 WeakPolarHBondContact O-CB 3.15Å; K32-T36 PolarHBondContact O-N 2.97Å; K32-T36 PolarHBondContact O-OG1 2.88Å
33C94.1Very high93.1Very high15 Ų1555.5 Ų55.510%0.10126%0.257CS..Hα-helixtrans-70.2-35.4177-66.80000112.6E29 L30 R31 D35 T36 Y37 F66 F104E29-C33 PolarHBondContact O-N 3.18Å; E29-C33 PolarHBondContact O-SG 3.08Å; L30-C33 WeakPolarHBondContact O-CB 3.46Å; L30-C33 PolarHBondContact O-N 2.78Å; R31-C33 VanDerWaalsContact C-N 3.26Å; R31-C33 PolarHBondContact O-N 2.8Å; C33-D35 PolarHBondContact O-N 2.86Å; C33-T36 PolarHBondContact O-N 2.97Å; C33-Y37 HydrophobicContact CB-CD2 4.05Å; C33-Y37 HydrophobicContact CB-CE2 4.42Å; C33-Y37 WeakPolarHBondContact O-CD2 3.3Å; C33-Y37 PolarHBondContact O-N 2.99Å; C33-F66 HydrophobicContact CB-CE2 4.1Å; C33-F104 HydrophobicContact CB-CB 4.23Å; C33-F104 HydrophobicContact CB-CD1 3.91Å; C33-F104 HydrophobicContact CB-CD2 3.68Å; C33-F104 HydrophobicContact CB-CE1 4.14Å; C33-F104 HydrophobicContact CB-CE2 3.92Å; C33-F104 HydrophobicContact CB-CG 3.67Å; C33-F104 HydrophobicContact CB-CZ 4.15Å
34V92.4Very high93.3Very high2 Ų251.3 Ų51.31%0.01224%0.24CC..Hα-helixtrans-59.9-30.4173.51740000111.8L30 R31 L77 Y85 K86 L89 F104 W208 S210L30-V34 HydrophobicContact CD2-CG2 4.11Å; L30-V34 WeakPolarHBondContact O-CG2 3.41Å; L30-V34 PolarHBondContact O-N 3.06Å; R31-V34 WeakPolarHBondContact O-CB 3.24Å; R31-V34 PolarHBondContact O-N 3.14Å; R31-V34 VanDerWaalsContact O-N 3.12Å; V34-L77 HydrophobicContact CG2-CD2 3.97Å; V34-Y85 HydrophobicContact CB-CD1 4.35Å; V34-Y85 HydrophobicContact CB-CE1 4.49Å; V34-Y85 HydrophobicContact CG1-CD1 3.92Å; V34-Y85 HydrophobicContact CG1-CE1 4.29Å; V34-K86 HydrophobicContact CG1-CD 3.71Å; V34-K86 HydrophobicContact CG1-CG 4.33Å; V34-K86 PolarHBondContact O-NZ 2.91Å; V34-L89 HydrophobicContact CG1-CD2 4.2Å; V34-L89 HydrophobicContact CG2-CD2 4.45Å; V34-F104 HydrophobicContact CB-CE1 4.25Å; V34-F104 HydrophobicContact CG2-CE1 3.51Å; V34-F104 HydrophobicContact CG2-CZ 3.69Å; V34-W208 HydrophobicContact CG1-CH2 4.07Å; V34-W208 HydrophobicContact CG1-CZ3 4.13Å; V34-S210 PolarHBondContact O-OG 3.19Å; V34-S210 VanDerWaalsContact O-OG 3.08Å
35D92.4Very high93.3Very high81 Ų8146.9 Ų46.943%0.43322%0.22SC..Hα-helixtrans-85.5-30175.7-64.6-31.5000114R31 K32 C33 Y85 K86R31-D35 PolarHBondContact O-N 2.74Å; K32-D35 PolarHBondContact O-N 2.91Å; C33-D35 PolarHBondContact O-N 2.86Å; D35-Y85 PolarHBondContact OD2-OH 2.81Å; D35-Y85 VanDerWaalsContact OD2-OH 3.09Å; D35-K86 WeakPolarHBondContact OD1-CE 3.33Å; D35-K86 IonicContact OD1-NZ 2.94Å; D35-K86 PolarHBondContact OD1-NZ 2.8Å
36T94.1Very high93.1Very high97 Ų9744.9 Ų44.960%0.59521%0.212SC*.Hα-helixtrans-84.8-34-174.5-54.80000112.8K32 C33K32-T36 WeakPolarHBondContact O-CB 3.15Å; K32-T36 PolarHBondContact O-N 2.97Å; K32-T36 PolarHBondContact O-OG1 2.88Å; C33-T36 PolarHBondContact O-N 2.97Å
37Y94.4Very high92.9Very high30 Ų3045 Ų4512%0.11821%0.213CC..  trans-106.1145.2-172.4-69.5-82.4000112.1C33 H62 R64 F104 N106C33-Y37 HydrophobicContact CB-CD2 4.05Å; C33-Y37 HydrophobicContact CB-CE2 4.42Å; C33-Y37 WeakPolarHBondContact O-CD2 3.3Å; C33-Y37 PolarHBondContact O-N 2.99Å; Y37-H62 WeakPolarHBondContact CE1-O 3.39Å; Y37-H62 PolarHBondContact OH-O 3.23Å; Y37-H62 VanDerWaalsContact OH-O 3.09Å; Y37-R64 HydrophobicContact CE2-CB 4.25Å; Y37-R64 HydrophobicContact CE2-CG 3.66Å; Y37-R64 WeakPolarHBondContact OH-CG 3.48Å; Y37-F104 HydrophobicContact CD1-CB 4.46Å; Y37-F104 HydrophobicContact CD2-CB 3.58Å; Y37-F104 HydrophobicContact CD2-CG 4.38Å; Y37-F104 HydrophobicContact CE2-CB 4.2Å; Y37-F104 HydrophobicContact CG-CB 3.73Å; Y37-N106 WeakPolarHBondContact CA-OD1 3.33Å
38R93.6Very high92.7Very high134 Ų13444.3 Ų44.351%0.50621%0.209SC..SBendtrans-73.8-40.8178.4-67.2-176.4176.1147.86.2112.8N106 N209 S210 E211R38-N106 PolarHBondContact N-OD1 2.83Å; R38-N209 WeakPolarHBondContact O-CA 3.46Å; R38-S210 WeakPolarHBondContact O-CB 3.48Å; R38-S210 PolarHBondContact O-N 3.35Å; R38-E211 WeakPolarHBondContact CD-OE1 3.33Å; R38-E211 WeakPolarHBondContact CG-OE1 3.34Å; R38-E211 IonicContact CZ-OE1 2.81Å; R38-E211 IonicContact NE-OE1 2.59Å; R38-E211 PolarHBondContact NE-OE1 2.92Å
39N94.1Very high92.4Very high12 Ų1242.5 Ų42.56%0.06420%0.198CC..EExtended strand (participates in β ladder)trans-119.5139.3-173.3-59-40000111.3F41 F104 T105 K107 M207 W208 N209N39-F41 HydrophobicContact CB-CD2 4.31Å; N39-F41 HydrophobicContact CB-CE2 3.56Å; N39-F41 HydrophobicContact CB-CZ 4.16Å; N39-F104 WeakPolarHBondContact O-CA 3.47Å; N39-T105 WeakPolarHBondContact CA-O 3.49Å; N39-T105 HydrophobicContact CB-CG2 4.46Å; N39-T105 WeakPolarHBondContact CB-O 3.05Å; N39-T105 PolarHBondContact N-O 3.19Å; N39-T105 PolarHBondContact O-N 3.39Å; N39-T105 VanDerWaalsContact O-O 3.11Å; N39-K107 PolarHBondContact ND2-O 3.22Å; N39-M207 HydrophobicContact CB-CE 4.01Å; N39-M207 VanDerWaalsContact CG-CE 3.46Å; N39-M207 WeakPolarHBondContact OD1-CE 3.44Å; N39-W208 WeakPolarHBondContact CA-O 3.42Å; N39-N209 PolarHBondContact OD1-ND2 3.04Å
40L94.9Very high92.2Very high1 Ų144.5 Ų44.51%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-118.7127.7171.8-173.6171000108I42 L77 L89 V92 V102 L103 F104 M207 W208L40-I42 HydrophobicContact CD2-CD1 3.94Å; L40-I42 HydrophobicContact CD2-CG1 4.35Å; L40-L77 HydrophobicContact CD1-CD2 3.84Å; L40-L89 HydrophobicContact CD1-CD1 3.92Å; L40-V92 HydrophobicContact CD2-CG1 3.54Å; L40-V102 HydrophobicContact CD1-CG1 4.16Å; L40-V102 HydrophobicContact CD2-CG1 3.68Å; L40-V102 HydrophobicContact CG-CG1 3.7Å; L40-L103 CarbonylContact C-O 3.57Å; L40-L103 WeakPolarHBondContact CA-O 3.48Å; L40-F104 HydrophobicContact CB-CD1 4.23Å; L40-F104 HydrophobicContact CB-CE1 4.1Å; L40-F104 HydrophobicContact CD1-CD1 4.42Å; L40-F104 HydrophobicContact CD1-CE1 3.51Å; L40-F104 HydrophobicContact CD1-CZ 3.73Å; L40-F104 HydrophobicContact CG-CD1 4.17Å; L40-F104 HydrophobicContact CG-CE1 3.71Å; L40-F104 HydrophobicContact CG-CZ 4.05Å; L40-M207 CarbonylContact O-C 3.3Å; L40-M207 WeakPolarHBondContact O-CA 3.4Å; L40-W208 HydrophobicContact CB-CE3 3.89Å; L40-W208 HydrophobicContact CD1-CE3 4.4Å; L40-W208 PolarHBondContact N-O 2.88Å; L40-W208 PolarHBondContact O-N 3.5Å
41F95Very high92Very high0 Ų049.5 Ų49.50%024%0.238CC..EExtended strand (participates in β ladder)trans-118139.5173.6-62.7-90.7000110.8N39 V102 L103 T105 K109 V112 I204 C206 M207N39-F41 HydrophobicContact CB-CD2 4.31Å; N39-F41 HydrophobicContact CB-CE2 3.56Å; N39-F41 HydrophobicContact CB-CZ 4.16Å; F41-V102 WeakPolarHBondContact O-CA 3.41Å; F41-L103 HydrophobicContact CB-CB 4.23Å; F41-L103 PolarHBondContact N-O 3.34Å; F41-L103 PolarHBondContact O-N 2.9Å; F41-T105 HydrophobicContact CD2-CG2 3.8Å; F41-T105 HydrophobicContact CE2-CG2 3.52Å; F41-K109 HydrophobicContact CE1-CB 4.47Å; F41-K109 HydrophobicContact CZ-CB 4.49Å; F41-V112 HydrophobicContact CD1-CG1 4.26Å; F41-V112 HydrophobicContact CD2-CG1 4.35Å; F41-V112 HydrophobicContact CD2-CG2 4.4Å; F41-V112 HydrophobicContact CE1-CB 4.48Å; F41-V112 HydrophobicContact CE1-CG1 4.29Å; F41-V112 HydrophobicContact CE2-CB 4.44Å; F41-V112 HydrophobicContact CE2-CG1 4.4Å; F41-V112 HydrophobicContact CE2-CG2 3.86Å; F41-V112 HydrophobicContact CG-CG1 4.28Å; F41-V112 HydrophobicContact CZ-CB 4.23Å; F41-V112 HydrophobicContact CZ-CG1 4.36Å; F41-V112 HydrophobicContact CZ-CG2 4.03Å; F41-I204 HydrophobicContact CB-CG2 4.34Å; F41-I204 HydrophobicContact CD1-CG2 3.75Å; F41-I204 HydrophobicContact CG-CG2 4.47Å; F41-C206 VanDerWaalsContact CA-O 3.32Å; F41-C206 WeakPolarHBondContact CA-O 3.39Å; F41-M207 HydrophobicContact CD1-CB 3.77Å; F41-M207 HydrophobicContact CD1-CG 3.88Å; F41-M207 HydrophobicContact CE1-CB 3.66Å; F41-M207 HydrophobicContact CE1-CE 4.17Å; F41-M207 HydrophobicContact CE1-CG 3.41Å; F41-M207 VanDerWaalsContact CE1-CG 3.41Å; F41-M207 HydrophobicContact CE1-SD 3.63Å; F41-M207 HydrophobicContact CE2-CE 4.5Å; F41-M207 HydrophobicContact CZ-CE 3.7Å; F41-M207 HydrophobicContact CZ-CG 3.79Å; F41-M207 HydrophobicContact CZ-SD 3.81Å
42I94.9Very high91.9Very high0 Ų047.4 Ų47.40%023%0.231CC..EExtended strand (participates in β ladder)trans-94.7129163.5-59.1-55.6000108L40 V92 L96 V100 G101 V102 K205 C206L40-I42 HydrophobicContact CD2-CD1 3.94Å; L40-I42 HydrophobicContact CD2-CG1 4.35Å; I42-V92 HydrophobicContact CD1-CG1 3.66Å; I42-V92 HydrophobicContact CG1-CG1 3.45Å; I42-V92 VanDerWaalsContact CG1-CG1 3.45Å; I42-L96 HydrophobicContact CD1-CD2 3.65Å; I42-L96 HydrophobicContact CD1-CG 4.12Å; I42-L96 HydrophobicContact CG2-CD2 4.43Å; I42-V100 HydrophobicContact CG2-CB 4.28Å; I42-V100 HydrophobicContact CG2-CG1 4.49Å; I42-G101 WeakPolarHBondContact CA-O 3.39Å; I42-V102 HydrophobicContact CD1-CB 4.29Å; I42-V102 HydrophobicContact CD1-CG1 4.27Å; I42-V102 HydrophobicContact CD1-CG2 3.7Å; I42-K205 HydrophobicContact CG2-CB 4.33Å; I42-K205 PolarHBondContact O-N 3.11Å; I42-C206 VanDerWaalsContact CB-SG 3.59Å; I42-C206 WeakPolarHBondContact CG1-SG 3.3Å; I42-C206 PolarHBondContact N-O 3.19Å
43F94Very high91.6Very high1 Ų141.8 Ų41.80%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-121.3139.8175.466.7-91.2000110.4V45 L53 F65 F67 V100 G101 L103 V202 Q203 I204F43-V45 HydrophobicContact CD2-CG2 3.57Å; F43-V45 HydrophobicContact CE2-CG2 3.51Å; F43-L53 HydrophobicContact CE2-CD1 4.43Å; F43-F65 AromaticContact CE1-CD1 3.81Å; F43-F65 HydrophobicContact CE1-CD1 3.81Å; F43-F65 HydrophobicContact CE1-CE1 4.47Å; F43-F65 AromaticContact CZ-CD1 3.95Å; F43-F65 HydrophobicContact CZ-CD1 3.95Å; F43-F67 HydrophobicContact CE2-CD2 4.06Å; F43-F67 HydrophobicContact CE2-CE2 4.38Å; F43-F67 HydrophobicContact CZ-CD2 4.21Å; F43-V100 CarbonylContact O-C 3.56Å; F43-V100 WeakPolarHBondContact O-CA 3.2Å; F43-V100 WeakPolarHBondContact O-CB 3.32Å; F43-G101 WeakPolarHBondContact CD1-O 3.3Å; F43-G101 VanDerWaalsContact CE1-C 3.43Å; F43-G101 PolarHBondContact N-O 3.16Å; F43-G101 PolarHBondContact O-N 2.87Å; F43-L103 HydrophobicContact CD1-CB 3.83Å; F43-L103 HydrophobicContact CE1-CB 3.98Å; F43-V202 HydrophobicContact CB-CG1 3.75Å; F43-V202 HydrophobicContact CD2-CG1 3.8Å; F43-V202 HydrophobicContact CG-CG1 4.04Å; F43-Q203 CarbonylContact C-O 3.57Å; F43-Q203 WeakPolarHBondContact CA-O 3.44Å; F43-I204 HydrophobicContact CB-CD1 3.76Å
44S92.8Very high91.5Very high13 Ų1346.8 Ų46.89%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-94.5152.2162.448.10000110.3E99 V202 Q203 K205S44-E99 WeakPolarHBondContact CA-O 3.21Å; S44-V202 WeakPolarHBondContact O-CA 3.5Å; S44-Q203 PolarHBondContact N-O 2.95Å; S44-Q203 PolarHBondContact O-N 3.3Å; S44-K205 WeakPolarHBondContact OG-CE 3.45Å
45V90.9Very high91.5Very high4 Ų450.4 Ų50.42%0.02425%0.247CC..EExtended strand (participates in β ladder)trans-122127.5174.8-171.80000108.7F43 M48 F67 E99 F200 K201 V202F43-V45 HydrophobicContact CD2-CG2 3.57Å; F43-V45 HydrophobicContact CE2-CG2 3.51Å; V45-M48 HydrophobicContact CB-SD 4.31Å; V45-M48 HydrophobicContact CG1-CB 4.08Å; V45-M48 HydrophobicContact CG1-CG 4.4Å; V45-M48 HydrophobicContact CG1-SD 3.66Å; V45-F67 HydrophobicContact CG2-CE2 4.04Å; V45-E99 PolarHBondContact N-O 2.84Å; V45-F200 HydrophobicContact CG1-CD2 3.91Å; V45-F200 HydrophobicContact CG1-CE2 3.26Å; V45-F200 HydrophobicContact CG1-CZ 3.75Å; V45-K201 WeakPolarHBondContact CA-O 3.24Å; V45-V202 HydrophobicContact CG2-CG2 4.37Å
46E88.8Confident91.5Very high83 Ų8346.6 Ų46.639%0.38823%0.226SC..EExtended strand (participates in β ladder)trans-95.3140.6169.6-73.1167.3-149.300109.6M48 K201 Q203E46-M48 PolarHBondContact O-N 2.85Å; E46-K201 PolarHBondContact N-O 2.83Å; E46-K201 PolarHBondContact O-N 3.36Å; E46-Q203 PolarHBondContact OE1-NE2 3.04Å
47N86.8Confident91.4Very high45 Ų4546.6 Ų46.624%0.24122%0.215CC..SBendtrans54.549.6178.7-61.8-48.5000113.7R49 N129 A198 E199N47-R49 PolarHBondContact O-N 3.33Å; N47-N129 PolarHBondContact OD1-ND2 2.67Å; N47-A198 HydrophobicContact CB-CB 4.13Å; N47-E199 WeakPolarHBondContact CB-O 3.37Å; N47-E199 PolarHBondContact ND2-O 2.88Å
48M85.9Confident91.4Very high20 Ų2049 Ų4910%0.09923%0.233CC..  trans-55.5130-170.6-178.347.6159.400114.8V45 E46 L53 F67 R126 F200V45-M48 HydrophobicContact CB-SD 4.31Å; V45-M48 HydrophobicContact CG1-CB 4.08Å; V45-M48 HydrophobicContact CG1-CG 4.4Å; V45-M48 HydrophobicContact CG1-SD 3.66Å; E46-M48 PolarHBondContact O-N 2.85Å; M48-L53 HydrophobicContact CE-CB 3.63Å; M48-L53 HydrophobicContact CE-CD1 4.11Å; M48-L53 HydrophobicContact CE-CD2 3.5Å; M48-L53 VanDerWaalsContact CE-CD2 3.5Å; M48-L53 HydrophobicContact CE-CG 3.88Å; M48-L53 HydrophobicContact SD-CB 4.38Å; M48-F67 HydrophobicContact CE-CD1 4.13Å; M48-F67 HydrophobicContact CE-CE1 4.03Å; M48-F67 HydrophobicContact CE-CE2 4.46Å; M48-F67 HydrophobicContact CE-CG 4.39Å; M48-F67 HydrophobicContact CE-CZ 4.2Å; M48-F67 HydrophobicContact CG-CE1 4.37Å; M48-F67 HydrophobicContact CG-CZ 4.36Å; M48-R126 PolarHBondContact O-NH2 3.09Å; M48-F200 HydrophobicContact SD-CE2 3.87Å
49R88.3Confident91.3Very high67 Ų6745.4 Ų45.425%0.25323%0.232SC..  trans-133.6125.3175.8-71.4-84.4-171.6-159.33.7110.5N47 N51 K52 L53 D123 Y124 R126N47-R49 PolarHBondContact O-N 3.33Å; R49-N51 PolarHBondContact O-N 3.5Å; R49-K52 HydrophobicContact CB-CB 4.19Å; R49-K52 HydrophobicContact CB-CG 3.57Å; R49-K52 HydrophobicContact CG-CG 4.4Å; R49-K52 PolarHBondContact O-N 2.8Å; R49-K52 VanDerWaalsContact O-N 3.15Å; R49-L53 PolarHBondContact O-N 3.33Å; R49-L53 VanDerWaalsContact O-N 3.15Å; R49-D123 WeakPolarHBondContact CD-OD2 3.36Å; R49-D123 VanDerWaalsContact CG-OD2 3.23Å; R49-D123 WeakPolarHBondContact CG-OD2 3.47Å; R49-D123 IonicContact CZ-OD1 2.77Å; R49-D123 IonicContact CZ-OD2 2.67Å; R49-D123 IonicContact NE-OD1 3.97Å; R49-D123 PolarHBondContact NE-OD1 2.97Å; R49-D123 IonicContact NE-OD2 3.6Å; R49-D123 PolarHBondContact NE-OD2 3.49Å; R49-D123 IonicContact NH2-OD1 3.65Å; R49-D123 PolarHBondContact NH2-OD1 3.1Å; R49-D123 IonicContact NH2-OD2 3.65Å; R49-Y124 PolarHBondContact NH2-O 3.1Å; R49-R126 VanDerWaalsContact NE-NH2 3.11Å; R49-R126 VanDerWaalsContact NH1-CZ 3.32Å; R49-R126 VanDerWaalsContact NH1-NE 3.12Å
50N88.6Confident91.3Very high121 Ų12145.7 Ų45.765%0.64723%0.232SC*.Hα-helixtrans-58.4-33.6-177.5-75.6-17.8000113.9K54N50-K54 VanDerWaalsContact O-CG 3.27Å; N50-K54 WeakPolarHBondContact O-CG 3.33Å; N50-K54 PolarHBondContact O-N 3.03Å; N50-K54 VanDerWaalsContact O-N 3.13Å
51N89.9Confident91.2Very high107 Ų10753 Ų5357%0.57226%0.264SS*.Hα-helixtrans-68.8-46.4178.8-67.8-11.1000110.8R49 L53 K54 D55R49-N51 PolarHBondContact O-N 3.5Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.48Å; N51-K54 WeakPolarHBondContact O-CA 3.36Å; N51-K54 VanDerWaalsContact O-CB 3.29Å; N51-K54 WeakPolarHBondContact O-CB 3.31Å; N51-K54 PolarHBondContact O-N 2.99Å; N51-D55 VanDerWaalsContact O-CG 3.29Å; N51-D55 PolarHBondContact O-N 3.32Å; N51-D55 VanDerWaalsContact O-OD2 3.13Å
52K89.1Confident91.1Very high40 Ų4057.4 Ų57.417%0.17429%0.285CS..Hα-helixtrans-59-42.3178.2-49.8-62.4-173.11770112R49 K54 D55 I56 E121 F200R49-K52 HydrophobicContact CB-CB 4.19Å; R49-K52 HydrophobicContact CB-CG 3.57Å; R49-K52 HydrophobicContact CG-CG 4.4Å; R49-K52 PolarHBondContact O-N 2.8Å; R49-K52 VanDerWaalsContact O-N 3.15Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.1Å; K52-D55 PolarHBondContact O-N 3.18Å; K52-I56 PolarHBondContact O-N 2.88Å; K52-I56 VanDerWaalsContact O-N 3.08Å; K52-E121 HydrophobicContact CD-CB 4.25Å; K52-E121 WeakPolarHBondContact CD-OE2 3.3Å; K52-E121 VanDerWaalsContact CE-OE2 3.27Å; K52-E121 WeakPolarHBondContact CE-OE2 3.18Å; K52-E121 IonicContact NZ-OE2 3.04Å; K52-E121 PolarHBondContact NZ-OE2 3.39Å; K52-F200 HydrophobicContact CB-CD1 4.12Å; K52-F200 HydrophobicContact CB-CD2 3.93Å; K52-F200 HydrophobicContact CB-CE1 4.11Å; K52-F200 HydrophobicContact CB-CE2 3.86Å; K52-F200 HydrophobicContact CB-CG 4.05Å; K52-F200 HydrophobicContact CB-CZ 3.98Å; K52-F200 HydrophobicContact CG-CD2 4.26Å; K52-F200 HydrophobicContact CG-CG 4.25Å
53L89.6Confident91.1Very high5 Ų557.7 Ų57.73%0.02629%0.287CS..Hα-helixtrans-65.8-34173.9-16874.4000112.6F43 M48 R49 N51 D55 R57 F67F43-L53 HydrophobicContact CE2-CD1 4.43Å; M48-L53 HydrophobicContact CE-CB 3.63Å; M48-L53 HydrophobicContact CE-CD1 4.11Å; M48-L53 HydrophobicContact CE-CD2 3.5Å; M48-L53 VanDerWaalsContact CE-CD2 3.5Å; M48-L53 HydrophobicContact CE-CG 3.88Å; M48-L53 HydrophobicContact SD-CB 4.38Å; R49-L53 PolarHBondContact O-N 3.33Å; R49-L53 VanDerWaalsContact O-N 3.15Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.48Å; L53-D55 VanDerWaalsContact C-N 3.31Å; L53-R57 VanDerWaalsContact CD2-CZ 3.47Å; L53-R57 WeakPolarHBondContact O-CB 3.46Å; L53-R57 VanDerWaalsContact O-CG 3.27Å; L53-R57 WeakPolarHBondContact O-CG 3.33Å; L53-R57 PolarHBondContact O-N 3.08Å; L53-F67 HydrophobicContact CD2-CB 4.24Å
54K91.6Very high91.1Very high119 Ų11964.5 Ų64.552%0.51731%0.312SS..Hα-helixtrans-65.9-36.6174.3-73.9169.8-178177.20111.4N50 N51 K52 R57 T58N50-K54 VanDerWaalsContact O-CG 3.27Å; N50-K54 WeakPolarHBondContact O-CG 3.33Å; N50-K54 PolarHBondContact O-N 3.03Å; N50-K54 VanDerWaalsContact O-N 3.13Å; N51-K54 WeakPolarHBondContact O-CA 3.36Å; N51-K54 VanDerWaalsContact O-CB 3.29Å; N51-K54 WeakPolarHBondContact O-CB 3.31Å; N51-K54 PolarHBondContact O-N 2.99Å; K52-K54 VanDerWaalsContact C-N 3.33Å; K52-K54 PolarHBondContact O-N 3.1Å; K54-R57 PolarHBondContact O-N 2.82Å; K54-T58 WeakPolarHBondContact O-CB 3.4Å; K54-T58 PolarHBondContact O-N 3.12Å; K54-T58 PolarHBondContact O-OG1 2.92Å
55D91.8Very high91.2Very high79 Ų7964.8 Ų64.842%0.42231%0.312SS..Hα-helixtrans-65.7-46.4178.1-58.8-32.6000110.1N51 K52 L53 R57 T58 A59N51-D55 VanDerWaalsContact O-CG 3.29Å; N51-D55 PolarHBondContact O-N 3.32Å; N51-D55 VanDerWaalsContact O-OD2 3.13Å; K52-D55 PolarHBondContact O-N 3.18Å; L53-D55 VanDerWaalsContact C-N 3.31Å; D55-R57 PolarHBondContact O-N 2.79Å; D55-T58 WeakPolarHBondContact O-CB 3.32Å; D55-T58 PolarHBondContact O-N 2.97Å; D55-T58 VanDerWaalsContact O-N 3.08Å; D55-A59 PolarHBondContact O-N 3.29Å
56I92.3Very high91.4Very high0 Ų065.5 Ų65.50%032%0.315CS..Hα-helixtrans-56.6-49.4171.4-67.5168000111.3K52 T58 A59 W60 F65 F116 F119 F200 V202K52-I56 PolarHBondContact O-N 2.88Å; K52-I56 VanDerWaalsContact O-N 3.08Å; I56-T58 PolarHBondContact O-N 3.2Å; I56-A59 PolarHBondContact O-N 3.07Å; I56-W60 WeakPolarHBondContact O-CB 3.17Å; I56-W60 PolarHBondContact O-N 3.04Å; I56-F65 HydrophobicContact CG2-CE1 3.73Å; I56-F65 HydrophobicContact CG2-CE2 4.32Å; I56-F65 HydrophobicContact CG2-CZ 3.56Å; I56-F116 HydrophobicContact CD1-CE1 4.3Å; I56-F116 HydrophobicContact CG2-CE1 3.84Å; I56-F116 HydrophobicContact CG2-CZ 4.17Å; I56-F119 HydrophobicContact CD1-CD1 3.78Å; I56-F119 HydrophobicContact CD1-CE1 3.6Å; I56-F119 HydrophobicContact CD1-CZ 4.32Å; I56-F119 HydrophobicContact CG1-CD1 3.92Å; I56-F119 HydrophobicContact CG1-CE1 3.57Å; I56-F119 HydrophobicContact CG1-CE2 4.3Å; I56-F119 HydrophobicContact CG1-CG 4.44Å; I56-F119 HydrophobicContact CG1-CZ 3.78Å; I56-F200 HydrophobicContact CD1-CE1 3.67Å; I56-F200 HydrophobicContact CD1-CZ 3.81Å; I56-V202 HydrophobicContact CD1-CG2 3.88Å
57R92.8Very high91.5Very high97 Ų9765 Ų6537%0.36631%0.311SS..Hα-helixtrans-60.7-30.3178.6-76.8172.4171.4169.8-2.8112.5L53 K54 D55 W60 K61 F65L53-R57 VanDerWaalsContact CD2-CZ 3.47Å; L53-R57 WeakPolarHBondContact O-CB 3.46Å; L53-R57 VanDerWaalsContact O-CG 3.27Å; L53-R57 WeakPolarHBondContact O-CG 3.33Å; L53-R57 PolarHBondContact O-N 3.08Å; K54-R57 PolarHBondContact O-N 2.82Å; D55-R57 PolarHBondContact O-N 2.79Å; R57-W60 CarbonylContact O-C 3.55Å; R57-K61 PolarHBondContact O-N 3.3Å; R57-F65 HydrophobicContact CG-CB 4.04Å; R57-F65 HydrophobicContact CG-CD2 3.79Å; R57-F65 HydrophobicContact CG-CE2 4.49Å; R57-F65 HydrophobicContact CG-CG 4.01Å; R57-F65 PolarHBondContact NH2-O 3Å
58T93.5Very high91.6Very high81 Ų8164.3 Ų64.350%0.49732%0.315SS..Hα-helixtrans-77.6-36.6178.4-58.40000111.7K54 D55 I56 K61K54-T58 WeakPolarHBondContact O-CB 3.4Å; K54-T58 PolarHBondContact O-N 3.12Å; K54-T58 PolarHBondContact O-OG1 2.92Å; D55-T58 WeakPolarHBondContact O-CB 3.32Å; D55-T58 PolarHBondContact O-N 2.97Å; D55-T58 VanDerWaalsContact O-N 3.08Å; I56-T58 PolarHBondContact O-N 3.2Å; T58-K61 WeakPolarHBondContact O-CE 3.35Å; T58-K61 WeakPolarHBondContact O-CG 3.32Å
59A92.5Very high91.7Very high59 Ų5969.1 Ų69.149%0.48834%0.336SS..Hα-helixtrans-67.7-40171.200000111.4D55 I56 Y115D55-A59 PolarHBondContact O-N 3.29Å; I56-A59 PolarHBondContact O-N 3.07Å; A59-Y115 WeakPolarHBondContact CB-OH 3.49Å
60W94Very high91.9Very high17 Ų1767.6 Ų67.66%0.06433%0.332CS..THydrogen-bonded Turntrans-103.345.2-175.8-74.767.5000113.2I56 R57 H62 S63 F65 K107 V112 Y115I56-W60 WeakPolarHBondContact O-CB 3.17Å; I56-W60 PolarHBondContact O-N 3.04Å; R57-W60 CarbonylContact O-C 3.55Å; W60-H62 AromaticContact CE3-NE2 3.7Å; W60-H62 PolarHBondContact O-N 3.06Å; W60-H62 VanDerWaalsContact O-N 3.11Å; W60-S63 PolarHBondContact O-N 3.35Å; W60-F65 HydrophobicContact CB-CE2 3.53Å; W60-F65 HydrophobicContact CB-CZ 3.79Å; W60-F65 HydrophobicContact CG-CE2 4.38Å; W60-F65 HydrophobicContact CG-CZ 4.16Å; W60-K107 HydrophobicContact CH2-CB 4.31Å; W60-K107 HydrophobicContact CH2-CG 4.28Å; W60-K107 HydrophobicContact CZ3-CB 4.08Å; W60-K107 HydrophobicContact CZ3-CG 3.96Å; W60-V112 HydrophobicContact CH2-CB 4.36Å; W60-V112 HydrophobicContact CH2-CG2 3.69Å; W60-V112 HydrophobicContact CZ3-CG2 3.86Å; W60-Y115 AromaticContact CD1-CE1 3.72Å; W60-Y115 AromaticContact CD1-CZ 3.66Å; W60-Y115 AromaticContact CE2-CD1 3.75Å; W60-Y115 AromaticContact CE2-CG 3.77Å; W60-Y115 AromaticContact CZ2-CD1 3.89Å; W60-Y115 HydrophobicContact CZ2-CD1 3.89Å; W60-Y115 HydrophobicContact CZ2-CD2 4.14Å; W60-Y115 AromaticContact CZ2-CG 3.61Å; W60-Y115 HydrophobicContact CZ2-CG 3.61Å; W60-Y115 AromaticContact NE1-CD1 3.21Å; W60-Y115 AromaticContact NE1-CD2 3.42Å; W60-Y115 AromaticContact NE1-CE1 3.14Å; W60-Y115 AromaticContact NE1-CE2 3.31Å; W60-Y115 VanDerWaalsContact NE1-CE2 3.31Å; W60-Y115 AromaticContact NE1-CG 3.37Å; W60-Y115 AromaticContact NE1-CZ 3.2Å
61K92.6Very high92Very high154 Ų15467.3 Ų67.367%0.6733%0.325SS*.THydrogen-bonded Turntrans-57.8-26.2-179.7-78.9173-173179.80115.1R57 T58 S63R57-K61 PolarHBondContact O-N 3.3Å; T58-K61 WeakPolarHBondContact O-CE 3.35Å; T58-K61 WeakPolarHBondContact O-CG 3.32Å; K61-S63 PolarHBondContact O-N 3.09Å
62H92.1Very high92.1Very high94 Ų9463.2 Ų63.244%0.43530%0.304SS..THydrogen-bonded Turntrans-74.8-15.2177.760.4-84.6000112.5Y37 W60Y37-H62 WeakPolarHBondContact CE1-O 3.39Å; Y37-H62 PolarHBondContact OH-O 3.23Å; Y37-H62 VanDerWaalsContact OH-O 3.09Å; W60-H62 AromaticContact CE3-NE2 3.7Å; W60-H62 PolarHBondContact O-N 3.06Å; W60-H62 VanDerWaalsContact O-N 3.11Å
63S94.8Very high92.2Very high6 Ų661.3 Ų61.34%0.04230%0.296CS..SBendtrans-109.3163.3-179-58.70000111W60 K61 F104 T105W60-S63 PolarHBondContact O-N 3.35Å; K61-S63 PolarHBondContact O-N 3.09Å; S63-F104 CarbonylContact C-O 3.5Å; S63-F104 VanDerWaalsContact CA-O 3.3Å; S63-F104 WeakPolarHBondContact CA-O 3.46Å; S63-F104 VanDerWaalsContact CB-O 3.24Å; S63-F104 WeakPolarHBondContact CB-O 3.44Å; S63-T105 WeakPolarHBondContact OG-CB 3.32Å; S63-T105 PolarHBondContact OG-OG1 3.18Å
64R95.4Very high92.3Very high143 Ų14362.7 Ų62.754%0.5430%0.303SS..EExtended strand (participates in β ladder)trans-119.7127179.4-64.1-63.8-178.3174.90.1111.1Y37 F66 L103 F104Y37-R64 HydrophobicContact CE2-CB 4.25Å; Y37-R64 HydrophobicContact CE2-CG 3.66Å; Y37-R64 WeakPolarHBondContact OH-CG 3.48Å; R64-F66 HydrophobicContact CB-CE2 4.18Å; R64-L103 WeakPolarHBondContact O-CA 3.43Å; R64-F104 HydrophobicContact CB-CB 4.32Å; R64-F104 PolarHBondContact N-O 3.18Å; R64-F104 PolarHBondContact O-N 2.75Å
65F94.9Very high92.3Very high19 Ų1959.7 Ų59.78%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-111120.7179.9-66.7-100.7000110.5F43 I56 R57 W60 V102 L103 F116F43-F65 AromaticContact CE1-CD1 3.81Å; F43-F65 HydrophobicContact CE1-CD1 3.81Å; F43-F65 HydrophobicContact CE1-CE1 4.47Å; F43-F65 AromaticContact CZ-CD1 3.95Å; F43-F65 HydrophobicContact CZ-CD1 3.95Å; I56-F65 HydrophobicContact CG2-CE1 3.73Å; I56-F65 HydrophobicContact CG2-CE2 4.32Å; I56-F65 HydrophobicContact CG2-CZ 3.56Å; R57-F65 HydrophobicContact CG-CB 4.04Å; R57-F65 HydrophobicContact CG-CD2 3.79Å; R57-F65 HydrophobicContact CG-CE2 4.49Å; R57-F65 HydrophobicContact CG-CG 4.01Å; R57-F65 PolarHBondContact NH2-O 3Å; W60-F65 HydrophobicContact CB-CE2 3.53Å; W60-F65 HydrophobicContact CB-CZ 3.79Å; W60-F65 HydrophobicContact CG-CE2 4.38Å; W60-F65 HydrophobicContact CG-CZ 4.16Å; F65-V102 CarbonylContact C-O 3.47Å; F65-V102 WeakPolarHBondContact CA-O 3.45Å; F65-L103 HydrophobicContact CD1-CB 4.34Å; F65-L103 HydrophobicContact CD1-CD1 3.95Å; F65-L103 HydrophobicContact CD2-CD1 4.06Å; F65-L103 HydrophobicContact CE1-CB 4.32Å; F65-L103 HydrophobicContact CE1-CD1 3.62Å; F65-L103 HydrophobicContact CE1-CD2 4.04Å; F65-L103 HydrophobicContact CE1-CG 4.21Å; F65-L103 HydrophobicContact CE2-CD1 3.71Å; F65-L103 HydrophobicContact CG-CD1 4.17Å; F65-L103 HydrophobicContact CZ-CD1 3.48Å; F65-L103 VanDerWaalsContact CZ-CD1 3.48Å; F65-L103 HydrophobicContact CZ-CD2 4.23Å; F65-L103 HydrophobicContact CZ-CG 4.41Å; F65-F116 HydrophobicContact CE1-CE1 4.48Å; F65-F116 AromaticContact CE1-CZ 3.84Å; F65-F116 HydrophobicContact CE1-CZ 3.84Å; F65-F116 HydrophobicContact CZ-CZ 4.04Å
66F94.1Very high92.3Very high19 Ų1956 Ų568%0.08328%0.275CS..EExtended strand (participates in β ladder)trans-104.9130.1169.6-63.6-85.7000109.6L26 E29 C33 R64 M73 G101 V102 F104L26-F66 HydrophobicContact CD1-CD1 3.58Å; L26-F66 HydrophobicContact CD1-CE1 3.97Å; E29-F66 HydrophobicContact CB-CE1 4.1Å; E29-F66 HydrophobicContact CB-CZ 4.21Å; C33-F66 HydrophobicContact CB-CE2 4.1Å; R64-F66 HydrophobicContact CB-CE2 4.18Å; F66-M73 HydrophobicContact CB-SD 4.28Å; F66-G101 CarbonylContact O-C 3.55Å; F66-G101 WeakPolarHBondContact O-CA 3.4Å; F66-V102 HydrophobicContact CB-CB 4.29Å; F66-V102 PolarHBondContact N-O 3.23Å; F66-V102 PolarHBondContact O-N 2.98Å; F66-F104 AromaticContact CD2-CD2 3.64Å; F66-F104 HydrophobicContact CD2-CD2 3.64Å; F66-F104 AromaticContact CD2-CE2 3.56Å; F66-F104 HydrophobicContact CD2-CE2 3.56Å; F66-F104 AromaticContact CE2-CD2 3.57Å; F66-F104 HydrophobicContact CE2-CD2 3.57Å; F66-F104 AromaticContact CE2-CE2 3.62Å; F66-F104 HydrophobicContact CE2-CE2 3.62Å
67F91.4Very high92.1Very high72 Ų7256 Ų5632%0.31628%0.275SS..  trans-141.294.8175.2-159.9-93.7000106.5F43 V45 M48 L53 E99F43-F67 HydrophobicContact CE2-CD2 4.06Å; F43-F67 HydrophobicContact CE2-CE2 4.38Å; F43-F67 HydrophobicContact CZ-CD2 4.21Å; V45-F67 HydrophobicContact CG2-CE2 4.04Å; M48-F67 HydrophobicContact CE-CD1 4.13Å; M48-F67 HydrophobicContact CE-CE1 4.03Å; M48-F67 HydrophobicContact CE-CE2 4.46Å; M48-F67 HydrophobicContact CE-CG 4.39Å; M48-F67 HydrophobicContact CE-CZ 4.2Å; M48-F67 HydrophobicContact CG-CE1 4.37Å; M48-F67 HydrophobicContact CG-CZ 4.36Å; L53-F67 HydrophobicContact CD2-CB 4.24Å; F67-E99 HydrophobicContact CZ-CB 4.47Å
68G87.5Confident91.9Very high32 Ų3251.4 Ų51.433%0.3326%0.258SS..SBendtrans-147.3-168.2-170.300000111.2N70 M73G68-N70 PolarHBondContact O-N 2.85Å; G68-M73 WeakPolarHBondContact O-CE 3.24Å
69K89.6Confident91.5Very high120 Ų12054.5 Ų54.552%0.52227%0.265SS..  trans-65.9120.5179.8-169.2168.6-173.2171.60109.7K71 V72 M73K69-K71 VanDerWaalsContact C-N 3.29Å; K69-K71 PolarHBondContact O-N 2.92Å; K69-V72 HydrophobicContact CB-CG2 4.07Å; K69-V72 WeakPolarHBondContact O-CB 3.43Å; K69-V72 PolarHBondContact O-N 3.48Å; K69-M73 PolarHBondContact O-N 3.11Å
70N92.2Very high91.1Very high35 Ų3553 Ų5319%0.18725%0.254CS..Hα-helixtrans-52.4-45.2-177.2-66.2-4.4000112.6G68 V72 M73 I74 L96 G98G68-N70 PolarHBondContact O-N 2.85Å; N70-V72 PolarHBondContact O-N 3.18Å; N70-V72 VanDerWaalsContact O-N 3.16Å; N70-M73 PolarHBondContact O-N 2.92Å; N70-M73 VanDerWaalsContact OD1-CE 3.29Å; N70-M73 WeakPolarHBondContact OD1-CE 3.41Å; N70-I74 VanDerWaalsContact O-CG1 3.3Å; N70-I74 WeakPolarHBondContact O-CG1 3.3Å; N70-I74 PolarHBondContact O-N 3.35Å; N70-L96 HydrophobicContact CB-CB 4.5Å; N70-L96 WeakPolarHBondContact CB-O 3.31Å; N70-L96 PolarHBondContact ND2-O 3Å; N70-G98 PolarHBondContact ND2-O 3.08Å
71K91Very high90.6Very high115 Ų11558.6 Ų58.650%0.528%0.281SS..Hα-helixtrans-53.4-37.4176.2-70.5-172.9177.4178.80112.7K69 V75K69-K71 VanDerWaalsContact C-N 3.29Å; K69-K71 PolarHBondContact O-N 2.92Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.44Å; K71-V75 PolarHBondContact O-N 2.74Å
72V91.4Very high90.1Very high21 Ų2158.5 Ų58.513%0.12729%0.294CS..Hα-helixtrans-74.1-40.2179.3-179.20000111.2K23 L26 I27 K69 N70 V75 A76K23-V72 HydrophobicContact CB-CG1 4.47Å; K23-V72 HydrophobicContact CD-CG2 4.49Å; L26-V72 HydrophobicContact CD2-CG1 4.05Å; I27-V72 HydrophobicContact CD1-CG1 4.01Å; I27-V72 HydrophobicContact CG1-CG1 3.7Å; K69-V72 HydrophobicContact CB-CG2 4.07Å; K69-V72 WeakPolarHBondContact O-CB 3.43Å; K69-V72 PolarHBondContact O-N 3.48Å; N70-V72 PolarHBondContact O-N 3.18Å; N70-V72 VanDerWaalsContact O-N 3.16Å; V72-V75 PolarHBondContact O-N 2.69Å; V72-A76 PolarHBondContact O-N 3.01Å; V72-A76 VanDerWaalsContact O-N 3.08Å
73M91.9Very high89.8Confident1 Ų157.9 Ų57.91%0.00529%0.294CS..Hα-helixtrans-66.7-39.3176.8-63.2-173.6-6500111.5L30 F66 G68 K69 N70 V75 A76 L77 L96 V102L30-M73 HydrophobicContact CD1-CB 4.1Å; L30-M73 HydrophobicContact CD1-CG 3.96Å; F66-M73 HydrophobicContact CB-SD 4.28Å; G68-M73 WeakPolarHBondContact O-CE 3.24Å; K69-M73 PolarHBondContact O-N 3.11Å; N70-M73 PolarHBondContact O-N 2.92Å; N70-M73 VanDerWaalsContact OD1-CE 3.29Å; N70-M73 WeakPolarHBondContact OD1-CE 3.41Å; M73-V75 PolarHBondContact O-N 3.31Å; M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 3.36Å; M73-A76 VanDerWaalsContact O-N 3.13Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.11Å; M73-L77 VanDerWaalsContact O-N 3.1Å; M73-L96 HydrophobicContact CB-CD1 3.79Å; M73-L96 HydrophobicContact CE-CD2 4.02Å; M73-V102 HydrophobicContact SD-CG2 3.94Å
74I92Very high89.3Confident34 Ų3459.5 Ų59.517%0.17430%0.301CS..Hα-helixtrans-60.2-43.3173.8-69.1167.3000111N70 A76 L77 G78 K79 L96N70-I74 VanDerWaalsContact O-CG1 3.3Å; N70-I74 WeakPolarHBondContact O-CG1 3.3Å; N70-I74 PolarHBondContact O-N 3.35Å; I74-A76 VanDerWaalsContact C-N 3.28Å; I74-A76 PolarHBondContact O-N 3.09Å; I74-L77 PolarHBondContact O-N 2.75Å; I74-G78 CarbonylContact O-C 3.56Å; I74-G78 VanDerWaalsContact O-C 3.3Å; I74-G78 WeakPolarHBondContact O-CA 3.4Å; I74-G78 PolarHBondContact O-N 3.47Å; I74-K79 HydrophobicContact CG2-CB 4.42Å; I74-K79 HydrophobicContact CG2-CG 3.48Å; I74-K79 VanDerWaalsContact CG2-CG 3.48Å; I74-L96 HydrophobicContact CD1-CB 4.04Å; I74-L96 HydrophobicContact CG1-CB 3.73Å; I74-L96 HydrophobicContact CG1-CD1 3.73Å; I74-L96 HydrophobicContact CG1-CG 4.38Å
75V91.5Very high88.7Confident56 Ų5657.2 Ų57.234%0.33929%0.293SS..Hα-helixtrans-65.6-31.8175.8170.40000112I27 K71 V72 M73I27-V75 HydrophobicContact CD1-CG1 4.3Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.44Å; K71-V75 PolarHBondContact O-N 2.74Å; V72-V75 PolarHBondContact O-N 2.69Å; M73-V75 PolarHBondContact O-N 3.31Å
76A89.8Confident88.3Confident1 Ų159 Ų591%0.00830%0.3CS..Hα-helixtrans-69.4-40.3178.200000112.6I27 L30 R31 V72 M73 I74I27-A76 HydrophobicContact CB-CB 4.26Å; I27-A76 HydrophobicContact CG1-CB 4.16Å; I27-A76 HydrophobicContact CG2-CB 3.94Å; L30-A76 HydrophobicContact CB-CB 4.1Å; L30-A76 HydrophobicContact CD1-CB 4Å; L30-A76 HydrophobicContact CD2-CB 3.92Å; L30-A76 HydrophobicContact CG-CB 4.22Å; R31-A76 PolarHBondContact NE-O 3.1Å; V72-A76 PolarHBondContact O-N 3.01Å; V72-A76 VanDerWaalsContact O-N 3.08Å; M73-A76 WeakPolarHBondContact O-CB 3.45Å; M73-A76 PolarHBondContact O-N 3.36Å; M73-A76 VanDerWaalsContact O-N 3.13Å; I74-A76 VanDerWaalsContact C-N 3.28Å; I74-A76 PolarHBondContact O-N 3.09Å
77L89.8Confident87.9Confident0 Ų062.6 Ų62.60%032%0.32CS..Hα-helixtrans-83.1-34.3-179.3-65.6178.5000113.1L30 V34 L40 M73 I74 Y85 L89 V92 S93 L96L30-L77 HydrophobicContact CD2-CD2 3.43Å; L30-L77 VanDerWaalsContact CD2-CD2 3.43Å; L30-L77 HydrophobicContact CD2-CG 3.93Å; V34-L77 HydrophobicContact CG2-CD2 3.97Å; L40-L77 HydrophobicContact CD1-CD2 3.84Å; M73-L77 WeakPolarHBondContact O-CG 3.39Å; M73-L77 PolarHBondContact O-N 3.11Å; M73-L77 VanDerWaalsContact O-N 3.1Å; I74-L77 PolarHBondContact O-N 2.75Å; L77-Y85 PolarHBondContact O-N 3.2Å; L77-Y85 VanDerWaalsContact O-N 3.15Å; L77-L89 HydrophobicContact CB-CD2 4.15Å; L77-L89 HydrophobicContact CB-CG 4.09Å; L77-L89 HydrophobicContact CD2-CD1 4.1Å; L77-L89 HydrophobicContact CD2-CD2 3.68Å; L77-L89 HydrophobicContact CD2-CG 3.89Å; L77-L89 WeakPolarHBondContact O-CD2 3.45Å; L77-V92 HydrophobicContact CD1-CG1 4.28Å; L77-S93 WeakPolarHBondContact CB-OG 3.33Å; L77-L96 HydrophobicContact CD1-CD1 3.81Å
78G88.8Confident87.8Confident1 Ų160.6 Ų60.61%0.0131%0.313CS..  trans114.8136.2-17600000112.2I74 D83 S93I74-G78 CarbonylContact O-C 3.56Å; I74-G78 VanDerWaalsContact O-C 3.3Å; I74-G78 WeakPolarHBondContact O-CA 3.4Å; I74-G78 PolarHBondContact O-N 3.47Å; G78-D83 WeakPolarHBondContact CA-O 3.43Å; G78-S93 VanDerWaalsContact O-CB 3.31Å; G78-S93 WeakPolarHBondContact O-CB 3.21Å; G78-S93 PolarHBondContact O-OG 3.44Å
79K84.3Confident87.8Confident146 Ų14659 Ų5964%0.63530%0.297SS*.SBendtrans-80.1-31.7179.8-77178.4178.8-174.50113.5I74I74-K79 HydrophobicContact CG2-CB 4.42Å; I74-K79 HydrophobicContact CG2-CG 3.48Å; I74-K79 VanDerWaalsContact CG2-CG 3.48Å
80G84.6Confident87.7Confident26 Ų2654.4 Ų54.427%0.26828%0.278SS..SBendtrans-149.8176.3-176.200000110.6T82 D83 E84G80-T82 PolarHBondContact O-N 3.12Å; G80-T82 VanDerWaalsContact O-N 3.15Å; G80-D83 PolarHBondContact O-N 3.09Å; G80-D83 VanDerWaalsContact O-N 3.09Å; G80-E84 PolarHBondContact O-N 3.15Å; G80-E84 VanDerWaalsContact O-N 3.12Å
81Q82.1Confident87.6Confident136 Ų13656.4 Ų56.464%0.63629%0.285SS*.THydrogen-bonded Turntrans-62-25-173.8-162.3172.618.400113.6E84Q81-E84 WeakPolarHBondContact O-CG 3.44Å
82T83.5Confident87.5Confident151 Ų15151 Ų5193%0.92626%0.261SS*.THydrogen-bonded Turntrans-82.6-18.3178.956.60000114G80G80-T82 PolarHBondContact O-N 3.12Å; G80-T82 VanDerWaalsContact O-N 3.15Å
83D84.2Confident87.4Confident82 Ų8250.2 Ų50.244%0.43926%0.257SS..SBendtrans-117.810.3-175.2-173.248.4000111.2G78 G80G78-D83 WeakPolarHBondContact CA-O 3.43Å; G80-D83 PolarHBondContact O-N 3.09Å; G80-D83 VanDerWaalsContact O-N 3.09Å
84E84.3Confident87.3Confident40 Ų4056.1 Ų56.119%0.18728%0.282CS..  trans-73.8137.4-179.873.4-174.2159.100111.4G80 Q81 K86 N88 L89 H90G80-E84 PolarHBondContact O-N 3.15Å; G80-E84 VanDerWaalsContact O-N 3.12Å; Q81-E84 WeakPolarHBondContact O-CG 3.44Å; E84-K86 WeakPolarHBondContact CG-O 3.34Å; E84-N88 PolarHBondContact OE2-N 2.82Å; E84-N88 VanDerWaalsContact OE2-N 3.08Å; E84-L89 PolarHBondContact OE2-N 2.8Å; E84-H90 HydrophobicContact CB-CB 4.37Å; E84-H90 IonicContact OE2-CE1 2.87Å; E84-H90 IonicContact OE2-CG 2.88Å; E84-H90 IonicContact OE2-ND1 2.62Å; E84-H90 PolarHBondContact OE2-ND1 2.8Å
85Y84Confident87.2Confident94 Ų9457.7 Ų57.737%0.36929%0.286SS..SBendtrans-72.6-34.2179.1-171.7-112000112R31 V34 D35 L77R31-Y85 HydrophobicContact CB-CE1 4.2Å; R31-Y85 HydrophobicContact CG-CD1 4.41Å; R31-Y85 HydrophobicContact CG-CD2 4.32Å; R31-Y85 HydrophobicContact CG-CE1 4.42Å; R31-Y85 HydrophobicContact CG-CE2 4.37Å; R31-Y85 HydrophobicContact CG-CG 4.35Å; V34-Y85 HydrophobicContact CB-CD1 4.35Å; V34-Y85 HydrophobicContact CB-CE1 4.49Å; V34-Y85 HydrophobicContact CG1-CD1 3.92Å; V34-Y85 HydrophobicContact CG1-CE1 4.29Å; D35-Y85 PolarHBondContact OD2-OH 2.81Å; D35-Y85 VanDerWaalsContact OD2-OH 3.09Å; L77-Y85 PolarHBondContact O-N 3.2Å; L77-Y85 VanDerWaalsContact O-N 3.15Å
86K85.6Confident87.1Confident56 Ų5655.1 Ų55.124%0.24327%0.271CS..SBendtrans-142.4161.2174.8-73.6-174.2178.5173.60109.9V34 D35 E84 N88 L89 W208 S210V34-K86 HydrophobicContact CG1-CD 3.71Å; V34-K86 HydrophobicContact CG1-CG 4.33Å; V34-K86 PolarHBondContact O-NZ 2.91Å; D35-K86 WeakPolarHBondContact OD1-CE 3.33Å; D35-K86 IonicContact OD1-NZ 2.94Å; D35-K86 PolarHBondContact OD1-NZ 2.8Å; E84-K86 WeakPolarHBondContact CG-O 3.34Å; K86-N88 PolarHBondContact O-N 2.83Å; K86-L89 HydrophobicContact CB-CD2 4.47Å; K86-L89 WeakPolarHBondContact O-CB 3.49Å; K86-L89 PolarHBondContact O-N 3.15Å; K86-W208 HydrophobicContact CB-CH2 4.03Å; K86-W208 HydrophobicContact CB-CZ2 3.77Å; K86-W208 HydrophobicContact CD-CH2 3.64Å; K86-W208 HydrophobicContact CD-CZ2 4.15Å; K86-W208 HydrophobicContact CG-CH2 4.47Å; K86-S210 PolarHBondContact NZ-OG 3.08Å
87D87.1Confident87Confident95 Ų9561.1 Ų61.151%0.50829%0.293SS..THydrogen-bonded Turntrans-56.1136.2-177-168.620.8000112.1L89 W208D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.1Å; D87-W208 PolarHBondContact O-NE1 3.19Å
88N87.9Confident87Confident30 Ų3063.4 Ų63.416%0.1632%0.317CS..THydrogen-bonded Turntrans61.36.4-178-62.7-61.6000116.5E84 K86 H90 K91 G213E84-N88 PolarHBondContact OE2-N 2.82Å; E84-N88 VanDerWaalsContact OE2-N 3.08Å; K86-N88 PolarHBondContact O-N 2.83Å; N88-H90 VanDerWaalsContact C-N 3.25Å; N88-H90 PolarHBondContact O-N 3Å; N88-K91 HydrophobicContact CB-CD 4.16Å; N88-K91 WeakPolarHBondContact O-CB 3.38Å; N88-K91 PolarHBondContact O-N 3.3Å; N88-K91 VanDerWaalsContact O-N 3.09Å; N88-K91 VanDerWaalsContact OD1-CE 3.3Å; N88-K91 WeakPolarHBondContact OD1-CE 3.15Å; N88-K91 PolarHBondContact OD1-NZ 3.1Å; N88-G213 WeakPolarHBondContact CB-O 3.48Å; N88-G213 PolarHBondContact ND2-O 2.77Å
89L87.3Confident87Confident0 Ų068.7 Ų68.70%034%0.341CS..Hα-helixtrans-69.6-26.6-177.3-159.264.4000112V34 L40 L77 E84 K86 D87 K91 V92 S93 W208V34-L89 HydrophobicContact CG1-CD2 4.2Å; V34-L89 HydrophobicContact CG2-CD2 4.45Å; L40-L89 HydrophobicContact CD1-CD1 3.92Å; L77-L89 HydrophobicContact CB-CD2 4.15Å; L77-L89 HydrophobicContact CB-CG 4.09Å; L77-L89 HydrophobicContact CD2-CD1 4.1Å; L77-L89 HydrophobicContact CD2-CD2 3.68Å; L77-L89 HydrophobicContact CD2-CG 3.89Å; L77-L89 WeakPolarHBondContact O-CD2 3.45Å; E84-L89 PolarHBondContact OE2-N 2.8Å; K86-L89 HydrophobicContact CB-CD2 4.47Å; K86-L89 WeakPolarHBondContact O-CB 3.49Å; K86-L89 PolarHBondContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.1Å; L89-K91 PolarHBondContact O-N 2.88Å; L89-V92 HydrophobicContact CD1-CG2 4.29Å; L89-V92 WeakPolarHBondContact O-CB 3.46Å; L89-V92 PolarHBondContact O-N 3.17Å; L89-V92 VanDerWaalsContact O-N 3.11Å; L89-S93 PolarHBondContact O-N 3.08Å; L89-W208 HydrophobicContact CD1-CD2 3.6Å; L89-W208 HydrophobicContact CD1-CE3 3.74Å; L89-W208 HydrophobicContact CD1-CG 4.1Å; L89-W208 HydrophobicContact CD1-CH2 4.17Å; L89-W208 HydrophobicContact CD1-CZ2 4.07Å; L89-W208 HydrophobicContact CD1-CZ3 4.02Å
90H88.4Confident87.4Confident23 Ų2361.9 Ų61.911%0.10631%0.312CS..Hα-helixtrans-60.1-25172.471.6-84.9000113.2E84 N88 S93E84-H90 HydrophobicContact CB-CB 4.37Å; E84-H90 IonicContact OE2-CE1 2.87Å; E84-H90 IonicContact OE2-CG 2.88Å; E84-H90 IonicContact OE2-ND1 2.62Å; E84-H90 PolarHBondContact OE2-ND1 2.8Å; N88-H90 VanDerWaalsContact C-N 3.25Å; N88-H90 PolarHBondContact O-N 3Å; H90-S93 PolarHBondContact O-N 2.81Å
91K89Confident87.8Confident77 Ų7760.6 Ų60.634%0.33530%0.299SS..Hα-helixtrans-68.4-39.5176-63.7177.6177.6161.90111N88 L89 K94 Y95 F215N88-K91 HydrophobicContact CB-CD 4.16Å; N88-K91 WeakPolarHBondContact O-CB 3.38Å; N88-K91 PolarHBondContact O-N 3.3Å; N88-K91 VanDerWaalsContact O-N 3.09Å; N88-K91 VanDerWaalsContact OD1-CE 3.3Å; N88-K91 WeakPolarHBondContact OD1-CE 3.15Å; N88-K91 PolarHBondContact OD1-NZ 3.1Å; L89-K91 PolarHBondContact O-N 2.88Å; K91-K94 PolarHBondContact O-N 2.98Å; K91-Y95 WeakPolarHBondContact O-CD2 3.33Å; K91-F215 HydrophobicContact CB-CB 4.46Å; K91-F215 HydrophobicContact CB-CD1 4.06Å; K91-F215 HydrophobicContact CB-CD2 3.91Å; K91-F215 HydrophobicContact CB-CE1 4.35Å; K91-F215 HydrophobicContact CB-CE2 4.19Å; K91-F215 HydrophobicContact CB-CG 3.84Å; K91-F215 HydrophobicContact CB-CZ 4.42Å; K91-F215 HydrophobicContact CD-CB 4.11Å; K91-F215 HydrophobicContact CD-CD1 4.08Å; K91-F215 HydrophobicContact CD-CG 4.12Å
92V89.8Confident88.5Confident0 Ų054.1 Ų54.10%027%0.269CS..Hα-helixtrans-62.3-43.9175-177.10000110.8L40 I42 L77 L89 K94 Y95 W208 F215L40-V92 HydrophobicContact CD2-CG1 3.54Å; I42-V92 HydrophobicContact CD1-CG1 3.66Å; I42-V92 HydrophobicContact CG1-CG1 3.45Å; I42-V92 VanDerWaalsContact CG1-CG1 3.45Å; L77-V92 HydrophobicContact CD1-CG1 4.28Å; L89-V92 HydrophobicContact CD1-CG2 4.29Å; L89-V92 WeakPolarHBondContact O-CB 3.46Å; L89-V92 PolarHBondContact O-N 3.17Å; L89-V92 VanDerWaalsContact O-N 3.11Å; V92-K94 PolarHBondContact O-N 3.3Å; V92-K94 VanDerWaalsContact O-N 3.1Å; V92-Y95 PolarHBondContact O-N 3.47Å; V92-W208 HydrophobicContact CG2-CB 3.42Å; V92-W208 VanDerWaalsContact CG2-CB 3.42Å; V92-W208 HydrophobicContact CG2-CG 3.94Å; V92-F215 HydrophobicContact CG2-CD2 3.75Å; V92-F215 HydrophobicContact CG2-CE2 4.01Å
93S88.9Confident89Confident6 Ų647 Ų474%0.04223%0.225CC..Hα-helixtrans-56.4-28.3-179.7-63.50000113.8L77 G78 L89 H90 Y95 L96L77-S93 WeakPolarHBondContact CB-OG 3.33Å; G78-S93 VanDerWaalsContact O-CB 3.31Å; G78-S93 WeakPolarHBondContact O-CB 3.21Å; G78-S93 PolarHBondContact O-OG 3.44Å; L89-S93 PolarHBondContact O-N 3.08Å; H90-S93 PolarHBondContact O-N 2.81Å; S93-Y95 PolarHBondContact O-N 2.99Å; S93-L96 WeakPolarHBondContact O-CB 3.46Å; S93-L96 PolarHBondContact O-N 3.48Å
94K89.8Confident89.6Confident125 Ų12543.1 Ų43.154%0.54320%0.204SC..THydrogen-bonded Turntrans-64.9-26.4177.9-64.4-179.1-179.5-178.30113.1K91 V92 L96K91-K94 PolarHBondContact O-N 2.98Å; V92-K94 PolarHBondContact O-N 3.3Å; V92-K94 VanDerWaalsContact O-N 3.1Å; K94-L96 VanDerWaalsContact C-N 3.33Å
95Y90Very high90.2Very high66 Ų6641.2 Ų41.226%0.25920%0.195SC..THydrogen-bonded Turntrans-87.5-2.2-179.7-67-98.2000113.1K91 V92 S93 R97 K205 C206 F215 S217K91-Y95 WeakPolarHBondContact O-CD2 3.33Å; V92-Y95 PolarHBondContact O-N 3.47Å; S93-Y95 PolarHBondContact O-N 2.99Å; Y95-R97 PolarHBondContact O-N 3.48Å; Y95-K205 HydrophobicContact CD1-CB 4.35Å; Y95-C206 HydrophobicContact CD2-CB 4.44Å; Y95-C206 HydrophobicContact CG-CB 4.4Å; Y95-F215 HydrophobicContact CD2-CE2 4.36Å; Y95-F215 AromaticContact CD2-CZ 3.97Å; Y95-F215 HydrophobicContact CD2-CZ 3.97Å; Y95-F215 HydrophobicContact CE2-CE1 4.16Å; Y95-F215 HydrophobicContact CE2-CE2 4.18Å; Y95-F215 AromaticContact CE2-CZ 3.36Å; Y95-F215 HydrophobicContact CE2-CZ 3.36Å; Y95-F215 AromaticContact CZ-CZ 3.93Å; Y95-S217 PolarHBondContact OH-OG 3.19Å
96L89.4Confident90.7Very high2 Ų240.4 Ų40.41%0.0120%0.197CC..  trans-79.360.3175.9-72.6175000111.9I42 N70 M73 I74 L77 S93 K94 V100 V102I42-L96 HydrophobicContact CD1-CD2 3.65Å; I42-L96 HydrophobicContact CD1-CG 4.12Å; I42-L96 HydrophobicContact CG2-CD2 4.43Å; N70-L96 HydrophobicContact CB-CB 4.5Å; N70-L96 WeakPolarHBondContact CB-O 3.31Å; N70-L96 PolarHBondContact ND2-O 3Å; M73-L96 HydrophobicContact CB-CD1 3.79Å; M73-L96 HydrophobicContact CE-CD2 4.02Å; I74-L96 HydrophobicContact CD1-CB 4.04Å; I74-L96 HydrophobicContact CG1-CB 3.73Å; I74-L96 HydrophobicContact CG1-CD1 3.73Å; I74-L96 HydrophobicContact CG1-CG 4.38Å; L77-L96 HydrophobicContact CD1-CD1 3.81Å; S93-L96 WeakPolarHBondContact O-CB 3.46Å; S93-L96 PolarHBondContact O-N 3.48Å; K94-L96 VanDerWaalsContact C-N 3.33Å; L96-V100 HydrophobicContact CD2-CG2 4.06Å; L96-V102 HydrophobicContact CD2-CG2 3.94Å
97R88Confident91.1Very high128 Ų12841.3 Ų41.348%0.48320%0.201SC..  trans-127.7141.4177.2-61.1-175.2-176-173.70.1111.5Y95 V100Y95-R97 PolarHBondContact O-N 3.48Å; R97-V100 VanDerWaalsContact O-CG1 3.23Å; R97-V100 WeakPolarHBondContact O-CG1 3.48Å
98G88.9Confident91.4Very high48 Ų4840.2 Ų40.250%0.49520%0.198SC..SBendtrans75.8-153.3-175.600000114.2N70 V100N70-G98 PolarHBondContact ND2-O 3.08Å; G98-V100 VanDerWaalsContact C-N 3.29Å; G98-V100 PolarHBondContact O-N 3.43Å
99E89.3Confident91.5Very high112 Ų11241 Ų4152%0.52320%0.2SC..SBendtrans-78.473.8177.6-65.1-158.4120.900111.7S44 V45 F67S44-E99 WeakPolarHBondContact CA-O 3.21Å; V45-E99 PolarHBondContact N-O 2.84Å; F67-E99 HydrophobicContact CZ-CB 4.47Å
100V93.4Very high91.7Very high2 Ų246.3 Ų46.31%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-122.2154.4-176.3-67.30000113I42 F43 L96 R97 G98 K205I42-V100 HydrophobicContact CG2-CB 4.28Å; I42-V100 HydrophobicContact CG2-CG1 4.49Å; F43-V100 CarbonylContact O-C 3.56Å; F43-V100 WeakPolarHBondContact O-CA 3.2Å; F43-V100 WeakPolarHBondContact O-CB 3.32Å; L96-V100 HydrophobicContact CD2-CG2 4.06Å; R97-V100 VanDerWaalsContact O-CG1 3.23Å; R97-V100 WeakPolarHBondContact O-CG1 3.48Å; G98-V100 VanDerWaalsContact C-N 3.29Å; G98-V100 PolarHBondContact O-N 3.43Å; V100-K205 HydrophobicContact CG1-CD 4.23Å
101G93.6Very high92Very high0 Ų048.7 Ų48.70%024%0.24CC..EExtended strand (participates in β ladder)trans-136.3171.2174.700000112.7I42 F43 F66I42-G101 WeakPolarHBondContact CA-O 3.39Å; F43-G101 WeakPolarHBondContact CD1-O 3.3Å; F43-G101 VanDerWaalsContact CE1-C 3.43Å; F43-G101 PolarHBondContact N-O 3.16Å; F43-G101 PolarHBondContact O-N 2.87Å; F66-G101 CarbonylContact O-C 3.55Å; F66-G101 WeakPolarHBondContact O-CA 3.4Å
102V95Very high92.1Very high0 Ų045 Ų450%022%0.224CC..EExtended strand (participates in β ladder)trans-111.3129.6177.5-1710000109.1L40 F41 I42 F65 F66 M73 L96 F104L40-V102 HydrophobicContact CD1-CG1 4.16Å; L40-V102 HydrophobicContact CD2-CG1 3.68Å; L40-V102 HydrophobicContact CG-CG1 3.7Å; F41-V102 WeakPolarHBondContact O-CA 3.41Å; I42-V102 HydrophobicContact CD1-CB 4.29Å; I42-V102 HydrophobicContact CD1-CG1 4.27Å; I42-V102 HydrophobicContact CD1-CG2 3.7Å; F65-V102 CarbonylContact C-O 3.47Å; F65-V102 WeakPolarHBondContact CA-O 3.45Å; F66-V102 HydrophobicContact CB-CB 4.29Å; F66-V102 PolarHBondContact N-O 3.23Å; F66-V102 PolarHBondContact O-N 2.98Å; M73-V102 HydrophobicContact SD-CG2 3.94Å; L96-V102 HydrophobicContact CD2-CG2 3.94Å; V102-F104 HydrophobicContact CB-CE2 4.23Å; V102-F104 HydrophobicContact CG1-CD2 3.95Å; V102-F104 HydrophobicContact CG1-CE2 3.4Å; V102-F104 HydrophobicContact CG1-CZ 3.74Å
103L95.9Very high92.2Very high0 Ų047.5 Ų47.50%024%0.235CC..EExtended strand (participates in β ladder)trans-113.1120.1173.3166.559.4000109.3L40 F41 F43 R64 F65 T105 V112 F116L40-L103 CarbonylContact C-O 3.57Å; L40-L103 WeakPolarHBondContact CA-O 3.48Å; F41-L103 HydrophobicContact CB-CB 4.23Å; F41-L103 PolarHBondContact N-O 3.34Å; F41-L103 PolarHBondContact O-N 2.9Å; F43-L103 HydrophobicContact CD1-CB 3.83Å; F43-L103 HydrophobicContact CE1-CB 3.98Å; R64-L103 WeakPolarHBondContact O-CA 3.43Å; F65-L103 HydrophobicContact CD1-CB 4.34Å; F65-L103 HydrophobicContact CD1-CD1 3.95Å; F65-L103 HydrophobicContact CD2-CD1 4.06Å; F65-L103 HydrophobicContact CE1-CB 4.32Å; F65-L103 HydrophobicContact CE1-CD1 3.62Å; F65-L103 HydrophobicContact CE1-CD2 4.04Å; F65-L103 HydrophobicContact CE1-CG 4.21Å; F65-L103 HydrophobicContact CE2-CD1 3.71Å; F65-L103 HydrophobicContact CG-CD1 4.17Å; F65-L103 HydrophobicContact CZ-CD1 3.48Å; F65-L103 VanDerWaalsContact CZ-CD1 3.48Å; F65-L103 HydrophobicContact CZ-CD2 4.23Å; F65-L103 HydrophobicContact CZ-CG 4.41Å; L103-T105 HydrophobicContact CG-CG2 4.49Å; L103-V112 HydrophobicContact CD2-CG1 4.25Å; L103-F116 HydrophobicContact CD2-CE2 3.58Å; L103-F116 HydrophobicContact CD2-CZ 3.94Å
104F96.4Very high92.4Very high1 Ų153.1 Ų53.10%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-100.7126.5169.3-67-86.9000110.1L30 C33 V34 Y37 N39 L40 S63 R64 F66 V102L30-F104 HydrophobicContact CD2-CE2 4.21Å; L30-F104 HydrophobicContact CD2-CZ 3.77Å; L30-F104 HydrophobicContact CG-CE2 4.05Å; L30-F104 HydrophobicContact CG-CZ 4.12Å; C33-F104 HydrophobicContact CB-CB 4.23Å; C33-F104 HydrophobicContact CB-CD1 3.91Å; C33-F104 HydrophobicContact CB-CD2 3.68Å; C33-F104 HydrophobicContact CB-CE1 4.14Å; C33-F104 HydrophobicContact CB-CE2 3.92Å; C33-F104 HydrophobicContact CB-CG 3.67Å; C33-F104 HydrophobicContact CB-CZ 4.15Å; V34-F104 HydrophobicContact CB-CE1 4.25Å; V34-F104 HydrophobicContact CG2-CE1 3.51Å; V34-F104 HydrophobicContact CG2-CZ 3.69Å; Y37-F104 HydrophobicContact CD1-CB 4.46Å; Y37-F104 HydrophobicContact CD2-CB 3.58Å; Y37-F104 HydrophobicContact CD2-CG 4.38Å; Y37-F104 HydrophobicContact CE2-CB 4.2Å; Y37-F104 HydrophobicContact CG-CB 3.73Å; N39-F104 WeakPolarHBondContact O-CA 3.47Å; L40-F104 HydrophobicContact CB-CD1 4.23Å; L40-F104 HydrophobicContact CB-CE1 4.1Å; L40-F104 HydrophobicContact CD1-CD1 4.42Å; L40-F104 HydrophobicContact CD1-CE1 3.51Å; L40-F104 HydrophobicContact CD1-CZ 3.73Å; L40-F104 HydrophobicContact CG-CD1 4.17Å; L40-F104 HydrophobicContact CG-CE1 3.71Å; L40-F104 HydrophobicContact CG-CZ 4.05Å; S63-F104 CarbonylContact C-O 3.5Å; S63-F104 VanDerWaalsContact CA-O 3.3Å; S63-F104 WeakPolarHBondContact CA-O 3.46Å; S63-F104 VanDerWaalsContact CB-O 3.24Å; S63-F104 WeakPolarHBondContact CB-O 3.44Å; R64-F104 HydrophobicContact CB-CB 4.32Å; R64-F104 PolarHBondContact N-O 3.18Å; R64-F104 PolarHBondContact O-N 2.75Å; F66-F104 AromaticContact CD2-CD2 3.64Å; F66-F104 HydrophobicContact CD2-CD2 3.64Å; F66-F104 AromaticContact CD2-CE2 3.56Å; F66-F104 HydrophobicContact CD2-CE2 3.56Å; F66-F104 AromaticContact CE2-CD2 3.57Å; F66-F104 HydrophobicContact CE2-CD2 3.57Å; F66-F104 AromaticContact CE2-CE2 3.62Å; F66-F104 HydrophobicContact CE2-CE2 3.62Å; V102-F104 HydrophobicContact CB-CE2 4.23Å; V102-F104 HydrophobicContact CG1-CD2 3.95Å; V102-F104 HydrophobicContact CG1-CE2 3.4Å; V102-F104 HydrophobicContact CG1-CZ 3.74Å
105T96Very high92.5Very high0 Ų050.2 Ų50.20%025%0.247CC..EExtended strand (participates in β ladder)trans-151.7159.3-179.3-170.30000112N39 F41 S63 L103 K107 V112N39-T105 WeakPolarHBondContact CA-O 3.49Å; N39-T105 HydrophobicContact CB-CG2 4.46Å; N39-T105 WeakPolarHBondContact CB-O 3.05Å; N39-T105 PolarHBondContact N-O 3.19Å; N39-T105 PolarHBondContact O-N 3.39Å; N39-T105 VanDerWaalsContact O-O 3.11Å; F41-T105 HydrophobicContact CD2-CG2 3.8Å; F41-T105 HydrophobicContact CE2-CG2 3.52Å; S63-T105 WeakPolarHBondContact OG-CB 3.32Å; S63-T105 PolarHBondContact OG-OG1 3.18Å; L103-T105 HydrophobicContact CG-CG2 4.49Å; T105-K107 HydrophobicContact CG2-CB 4.16Å; T105-K107 WeakPolarHBondContact OG1-CB 3.46Å; T105-K107 PolarHBondContact OG1-N 2.95Å; T105-K107 VanDerWaalsContact OG1-N 3.14Å; T105-V112 HydrophobicContact CG2-CG2 3.93Å
106N95Very high92.6Very high78 Ų7847.2 Ų47.242%0.41724%0.235SC..SBendtrans-99.22169.7-67.4-28.4000112.1Y37 R38Y37-N106 WeakPolarHBondContact CA-OD1 3.33Å; R38-N106 PolarHBondContact N-OD1 2.83Å
107K94.3Very high92.6Very high74 Ų7451.8 Ų51.832%0.32226%0.26SS..SBendtrans-74.3154.1175-68.6-57.9-155.7158.50111.6N39 W60 T105 E111 V112N39-K107 PolarHBondContact ND2-O 3.22Å; W60-K107 HydrophobicContact CH2-CB 4.31Å; W60-K107 HydrophobicContact CH2-CG 4.28Å; W60-K107 HydrophobicContact CZ3-CB 4.08Å; W60-K107 HydrophobicContact CZ3-CG 3.96Å; T105-K107 HydrophobicContact CG2-CB 4.16Å; T105-K107 WeakPolarHBondContact OG1-CB 3.46Å; T105-K107 PolarHBondContact OG1-N 2.95Å; T105-K107 VanDerWaalsContact OG1-N 3.14Å; K107-E111 WeakPolarHBondContact CD-OE2 3.48Å; K107-E111 IonicContact NZ-OE1 3.54Å; K107-E111 PolarHBondContact NZ-OE1 2.98Å; K107-V112 HydrophobicContact CB-CG2 4.11Å
108T92.6Very high92.7Very high72 Ų7252.6 Ų52.644%0.44227%0.269SS..  trans-73161.5179610000111.3D110 E111 V112T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 2.89Å; T108-E111 PolarHBondContact N-OE2 3.09Å; T108-E111 PolarHBondContact O-N 3.02Å; T108-E111 VanDerWaalsContact OG1-CG 3.3Å; T108-E111 WeakPolarHBondContact OG1-CG 3.38Å; T108-E111 PolarHBondContact OG1-OE2 2.79Å; T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.47Å; T108-V112 PolarHBondContact O-N 3.29Å
109K91.1Very high92.6Very high46 Ų4652 Ų5220%0.225%0.252CS..Hα-helixtrans-55-46.6176.6177-176.8161.6-177.70112.2F41 V112 Q113 M207 E216 L218F41-K109 HydrophobicContact CE1-CB 4.47Å; F41-K109 HydrophobicContact CZ-CB 4.49Å; K109-V112 PolarHBondContact O-N 3.45Å; K109-Q113 HydrophobicContact CG-CG 4.42Å; K109-Q113 WeakPolarHBondContact O-CG 3.23Å; K109-Q113 PolarHBondContact O-N 3.47Å; K109-M207 HydrophobicContact CB-CE 4.21Å; K109-M207 HydrophobicContact CB-SD 3.78Å; K109-M207 HydrophobicContact CD-SD 4.14Å; K109-M207 HydrophobicContact CG-SD 4.11Å; K109-E216 WeakPolarHBondContact CD-OE2 3.4Å; K109-E216 IonicContact NZ-OE1 3.91Å; K109-E216 PolarHBondContact NZ-OE1 2.86Å; K109-E216 IonicContact NZ-OE2 2.76Å; K109-E216 PolarHBondContact NZ-OE2 3.44Å; K109-L218 HydrophobicContact CD-CD1 4.42Å; K109-L218 HydrophobicContact CD-CD2 4.17Å; K109-L218 HydrophobicContact CG-CD1 4.35Å; K109-L218 VanDerWaalsContact NZ-CD2 3.27Å
110D92Very high92.5Very high113 Ų11351.3 Ų51.360%0.60425%0.248SC*.Hα-helixtrans-65-44.1-175.2-58.1-30.1000111.2T108 V112 Q113 E114T108-D110 VanDerWaalsContact C-N 3.31Å; T108-D110 PolarHBondContact O-N 2.89Å; D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 2.86Å; D110-Q113 PolarHBondContact O-N 3.35Å; D110-E114 VanDerWaalsContact O-CB 3.24Å; D110-E114 WeakPolarHBondContact O-CB 3.46Å; D110-E114 PolarHBondContact O-N 2.78Å
111E93.1Very high92.3Very high73 Ų7354.1 Ų54.134%0.34126%0.261SS..Hα-helixtrans-60.2-39.7175.5-71.4171.9112.400112.3K107 T108 Y115K107-E111 WeakPolarHBondContact CD-OE2 3.48Å; K107-E111 IonicContact NZ-OE1 3.54Å; K107-E111 PolarHBondContact NZ-OE1 2.98Å; T108-E111 PolarHBondContact N-OE2 3.09Å; T108-E111 PolarHBondContact O-N 3.02Å; T108-E111 VanDerWaalsContact OG1-CG 3.3Å; T108-E111 WeakPolarHBondContact OG1-CG 3.38Å; T108-E111 PolarHBondContact OG1-OE2 2.79Å; E111-Y115 WeakPolarHBondContact O-CB 3.47Å; E111-Y115 PolarHBondContact O-N 3.08Å; E111-Y115 VanDerWaalsContact O-N 3.15Å
112V92.6Very high92.2Very high0 Ų057.8 Ų57.80%028%0.283CS..Hα-helixtrans-67.9-50178.7171.10000110.1F41 W60 L103 T105 K107 T108 K109 D110 Y115 F116 I204F41-V112 HydrophobicContact CD1-CG1 4.26Å; F41-V112 HydrophobicContact CD2-CG1 4.35Å; F41-V112 HydrophobicContact CD2-CG2 4.4Å; F41-V112 HydrophobicContact CE1-CB 4.48Å; F41-V112 HydrophobicContact CE1-CG1 4.29Å; F41-V112 HydrophobicContact CE2-CB 4.44Å; F41-V112 HydrophobicContact CE2-CG1 4.4Å; F41-V112 HydrophobicContact CE2-CG2 3.86Å; F41-V112 HydrophobicContact CG-CG1 4.28Å; F41-V112 HydrophobicContact CZ-CB 4.23Å; F41-V112 HydrophobicContact CZ-CG1 4.36Å; F41-V112 HydrophobicContact CZ-CG2 4.03Å; W60-V112 HydrophobicContact CH2-CB 4.36Å; W60-V112 HydrophobicContact CH2-CG2 3.69Å; W60-V112 HydrophobicContact CZ3-CG2 3.86Å; L103-V112 HydrophobicContact CD2-CG1 4.25Å; T105-V112 HydrophobicContact CG2-CG2 3.93Å; K107-V112 HydrophobicContact CB-CG2 4.11Å; T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.47Å; T108-V112 PolarHBondContact O-N 3.29Å; K109-V112 PolarHBondContact O-N 3.45Å; D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 2.86Å; V112-Y115 PolarHBondContact O-N 2.59Å; V112-F116 HydrophobicContact CG1-CD2 3.75Å; V112-F116 HydrophobicContact CG1-CE2 3.85Å; V112-F116 WeakPolarHBondContact O-CD2 3.23Å; V112-F116 PolarHBondContact O-N 3.18Å; V112-F116 VanDerWaalsContact O-N 3.09Å; V112-I204 HydrophobicContact CG1-CD1 4.03Å; V112-I204 HydrophobicContact CG1-CG1 4.09Å
113Q91.3Very high92Very high52 Ų5259 Ų5924%0.24329%0.289CS..Hα-helixtrans-62.5-44.9179.6-75.3-173.6-32.200111.8K109 D110 Y115 F116 N117K109-Q113 HydrophobicContact CG-CG 4.42Å; K109-Q113 WeakPolarHBondContact O-CG 3.23Å; K109-Q113 PolarHBondContact O-N 3.47Å; D110-Q113 PolarHBondContact O-N 3.35Å; Q113-Y115 PolarHBondContact O-N 3.43Å; Q113-F116 PolarHBondContact O-N 3.42Å; Q113-N117 VanDerWaalsContact O-CB 3.23Å; Q113-N117 WeakPolarHBondContact O-CB 3.38Å; Q113-N117 PolarHBondContact O-N 2.61Å; Q113-N117 PolarHBondContact O-ND2 3.15Å; Q113-N117 VanDerWaalsContact O-ND2 3.16Å
114E92.4Very high91.9Very high124 Ų12462 Ų6258%0.57930%0.301SS*.Hα-helixtrans-58.3-48.9178.2-173.2178.6-172.400110.8D110 F116 N117 H118D110-E114 VanDerWaalsContact O-CB 3.24Å; D110-E114 WeakPolarHBondContact O-CB 3.46Å; D110-E114 PolarHBondContact O-N 2.78Å; E114-F116 PolarHBondContact O-N 3.24Å; E114-N117 PolarHBondContact O-N 3.21Å; E114-H118 PolarHBondContact O-N 3.13Å; E114-H118 PolarHBondContact O-ND1 3.32Å
115Y93.1Very high91.7Very high64 Ų6462.1 Ų62.125%0.25130%0.303SS..Hα-helixtrans-60.6-49.9179.6-178.8-87.7000112.5A59 W60 E111 V112 Q113 N117 H118 F119A59-Y115 WeakPolarHBondContact CB-OH 3.49Å; W60-Y115 AromaticContact CD1-CE1 3.72Å; W60-Y115 AromaticContact CD1-CZ 3.66Å; W60-Y115 AromaticContact CE2-CD1 3.75Å; W60-Y115 AromaticContact CE2-CG 3.77Å; W60-Y115 AromaticContact CZ2-CD1 3.89Å; W60-Y115 HydrophobicContact CZ2-CD1 3.89Å; W60-Y115 HydrophobicContact CZ2-CD2 4.14Å; W60-Y115 AromaticContact CZ2-CG 3.61Å; W60-Y115 HydrophobicContact CZ2-CG 3.61Å; W60-Y115 AromaticContact NE1-CD1 3.21Å; W60-Y115 AromaticContact NE1-CD2 3.42Å; W60-Y115 AromaticContact NE1-CE1 3.14Å; W60-Y115 AromaticContact NE1-CE2 3.31Å; W60-Y115 VanDerWaalsContact NE1-CE2 3.31Å; W60-Y115 AromaticContact NE1-CG 3.37Å; W60-Y115 AromaticContact NE1-CZ 3.2Å; E111-Y115 WeakPolarHBondContact O-CB 3.47Å; E111-Y115 PolarHBondContact O-N 3.08Å; E111-Y115 VanDerWaalsContact O-N 3.15Å; V112-Y115 PolarHBondContact O-N 2.59Å; Q113-Y115 PolarHBondContact O-N 3.43Å; Y115-N117 PolarHBondContact O-N 3.43Å; Y115-H118 PolarHBondContact O-N 2.93Å; Y115-F119 HydrophobicContact CD1-CB 4.48Å; Y115-F119 HydrophobicContact CE1-CB 4.14Å; Y115-F119 HydrophobicContact CE1-CD2 4.26Å; Y115-F119 HydrophobicContact CE1-CG 4.28Å; Y115-F119 WeakPolarHBondContact O-CB 3.48Å; Y115-F119 PolarHBondContact O-N 3.22Å
116F91.1Very high91.6Very high2 Ų267.5 Ų67.51%0.00932%0.323CS..Hα-helixtrans-73.5-26.2-175.4-72.7-64.6000113.6I56 F65 L103 V112 Q113 E114 V202 I204I56-F116 HydrophobicContact CD1-CE1 4.3Å; I56-F116 HydrophobicContact CG2-CE1 3.84Å; I56-F116 HydrophobicContact CG2-CZ 4.17Å; F65-F116 HydrophobicContact CE1-CE1 4.48Å; F65-F116 AromaticContact CE1-CZ 3.84Å; F65-F116 HydrophobicContact CE1-CZ 3.84Å; F65-F116 HydrophobicContact CZ-CZ 4.04Å; L103-F116 HydrophobicContact CD2-CE2 3.58Å; L103-F116 HydrophobicContact CD2-CZ 3.94Å; V112-F116 HydrophobicContact CG1-CD2 3.75Å; V112-F116 HydrophobicContact CG1-CE2 3.85Å; V112-F116 WeakPolarHBondContact O-CD2 3.23Å; V112-F116 PolarHBondContact O-N 3.18Å; V112-F116 VanDerWaalsContact O-N 3.09Å; Q113-F116 PolarHBondContact O-N 3.42Å; E114-F116 PolarHBondContact O-N 3.24Å; F116-V202 HydrophobicContact CB-CB 4.41Å; F116-V202 HydrophobicContact CB-CG1 4.47Å; F116-V202 HydrophobicContact CD1-CB 3.62Å; F116-V202 HydrophobicContact CD1-CG1 3.58Å; F116-V202 HydrophobicContact CD1-CG2 4.15Å; F116-V202 HydrophobicContact CE1-CB 4.27Å; F116-V202 HydrophobicContact CE1-CG1 3.97Å; F116-V202 HydrophobicContact CE1-CG2 4.44Å; F116-V202 HydrophobicContact CG-CB 4.28Å; F116-V202 HydrophobicContact CG-CG1 4.04Å; F116-I204 HydrophobicContact CD2-CD1 3.7Å; F116-I204 HydrophobicContact CD2-CG1 4.19Å; F116-I204 HydrophobicContact CE2-CD1 4.19Å; F116-I204 HydrophobicContact CG-CD1 4.26Å
117N89.2Confident91.5Very high98 Ų9866.2 Ų66.252%0.52432%0.324SS..Hα-helixtrans-70.2-33.9172.5-73.6-22.4000112.4Q113 E114 Y115Q113-N117 VanDerWaalsContact O-CB 3.23Å; Q113-N117 WeakPolarHBondContact O-CB 3.38Å; Q113-N117 PolarHBondContact O-N 2.61Å; Q113-N117 PolarHBondContact O-ND2 3.15Å; Q113-N117 VanDerWaalsContact O-ND2 3.16Å; E114-N117 PolarHBondContact O-N 3.21Å; Y115-N117 PolarHBondContact O-N 3.43Å
118H89.6Confident91.4Very high146 Ų14665.2 Ų65.268%0.67633%0.334SS*.Hα-helixtrans-83.6-26.7176.7-70.496.4000113.1E114 Y115 K120E114-H118 PolarHBondContact O-N 3.13Å; E114-H118 PolarHBondContact O-ND1 3.32Å; Y115-H118 PolarHBondContact O-N 2.93Å; H118-K120 PolarHBondContact O-N 3.15Å
119F87.6Confident91.4Very high34 Ų3463.7 Ų63.715%0.14932%0.323CS..  trans-77.494.2-179.7-166.8-88.5000111I56 Y115 E121 F200I56-F119 HydrophobicContact CD1-CD1 3.78Å; I56-F119 HydrophobicContact CD1-CE1 3.6Å; I56-F119 HydrophobicContact CD1-CZ 4.32Å; I56-F119 HydrophobicContact CG1-CD1 3.92Å; I56-F119 HydrophobicContact CG1-CE1 3.57Å; I56-F119 HydrophobicContact CG1-CE2 4.3Å; I56-F119 HydrophobicContact CG1-CG 4.44Å; I56-F119 HydrophobicContact CG1-CZ 3.78Å; Y115-F119 HydrophobicContact CD1-CB 4.48Å; Y115-F119 HydrophobicContact CE1-CB 4.14Å; Y115-F119 HydrophobicContact CE1-CD2 4.26Å; Y115-F119 HydrophobicContact CE1-CG 4.28Å; Y115-F119 WeakPolarHBondContact O-CB 3.48Å; Y115-F119 PolarHBondContact O-N 3.22Å; F119-E121 HydrophobicContact CE1-CG 4.43Å; F119-E121 HydrophobicContact CZ-CG 4.26Å; F119-E121 WeakPolarHBondContact CZ-OE1 3.34Å; F119-F200 HydrophobicContact CD1-CD1 4.29Å; F119-F200 AromaticContact CD1-CE1 3.97Å; F119-F200 HydrophobicContact CD1-CE1 3.97Å; F119-F200 AromaticContact CE1-CD1 3.96Å; F119-F200 HydrophobicContact CE1-CD1 3.96Å; F119-F200 AromaticContact CE1-CE1 3.67Å; F119-F200 HydrophobicContact CE1-CE1 3.67Å
120K88.2Confident91.5Very high99 Ų9967.8 Ų67.843%0.4334%0.343SS..EExtended strand (participates in β ladder)trans-129133.5174.5-65.2176.4162.9-134.60109.4H118 E199H118-K120 PolarHBondContact O-N 3.15Å; K120-E199 HydrophobicContact CB-CG 4.38Å; K120-E199 WeakPolarHBondContact CE-OE1 3.26Å; K120-E199 IonicContact NZ-OE1 3.4Å; K120-E199 PolarHBondContact NZ-OE1 3.22Å; K120-E199 IonicContact NZ-OE2 3.85Å
121E88.7Confident91.6Very high60 Ų6062.6 Ų62.628%0.2832%0.316SS..EExtended strand (participates in β ladder)trans-135.2134.7175.2-71-165.3-158.300110.6K52 F119 F200K52-E121 HydrophobicContact CD-CB 4.25Å; K52-E121 WeakPolarHBondContact CD-OE2 3.3Å; K52-E121 VanDerWaalsContact CE-OE2 3.27Å; K52-E121 WeakPolarHBondContact CE-OE2 3.18Å; K52-E121 IonicContact NZ-OE2 3.04Å; K52-E121 PolarHBondContact NZ-OE2 3.39Å; F119-E121 HydrophobicContact CE1-CG 4.43Å; F119-E121 HydrophobicContact CZ-CG 4.26Å; F119-E121 WeakPolarHBondContact CZ-OE1 3.34Å; E121-F200 PolarHBondContact N-O 3.44Å; E121-F200 WeakPolarHBondContact O-CB 3.44Å; E121-F200 PolarHBondContact O-N 3.09Å
122T90.7Very high91.6Very high78 Ų7864.3 Ų64.348%0.47932%0.324SS..EExtended strand (participates in β ladder)trans-81.7150.6176.452.40000111.2E196 A198T122-E196 WeakPolarHBondContact CB-OE2 3.29Å; T122-E196 PolarHBondContact OG1-OE2 3.43Å; T122-A198 CarbonylContact C-O 3.44Å; T122-A198 WeakPolarHBondContact CA-O 3.49Å
123D91.9Very high91.7Very high24 Ų2468.4 Ų68.413%0.12834%0.344CS..EExtended strand (participates in β ladder)trans-152170.9177.3-155.6-47.4000109.5R49 E196 M197 A198R49-D123 WeakPolarHBondContact CD-OD2 3.36Å; R49-D123 VanDerWaalsContact CG-OD2 3.23Å; R49-D123 WeakPolarHBondContact CG-OD2 3.47Å; R49-D123 IonicContact CZ-OD1 2.77Å; R49-D123 IonicContact CZ-OD2 2.67Å; R49-D123 IonicContact NE-OD1 3.97Å; R49-D123 PolarHBondContact NE-OD1 2.97Å; R49-D123 IonicContact NE-OD2 3.6Å; R49-D123 PolarHBondContact NE-OD2 3.49Å; R49-D123 IonicContact NH2-OD1 3.65Å; R49-D123 PolarHBondContact NH2-OD1 3.1Å; R49-D123 IonicContact NH2-OD2 3.65Å; D123-E196 WeakPolarHBondContact O-CA 3.48Å; D123-E196 WeakPolarHBondContact O-CB 3.31Å; D123-M197 PolarHBondContact O-N 3.2Å; D123-A198 PolarHBondContact N-O 2.81Å; D123-A198 PolarHBondContact O-N 2.85Å
124Y92.6Very high91.9Very high63 Ų6370.8 Ų70.825%0.24736%0.359CS..  trans-72.2131.5174.5-54.2-66.6000110.7R49 K191 A194 I195 E196R49-Y124 PolarHBondContact NH2-O 3.1Å; Y124-K191 HydrophobicContact CD1-CB 4.37Å; Y124-K191 HydrophobicContact CD1-CG 4.33Å; Y124-K191 HydrophobicContact CD2-CD 4.44Å; Y124-K191 HydrophobicContact CD2-CG 4.01Å; Y124-K191 HydrophobicContact CE2-CG 4.41Å; Y124-K191 HydrophobicContact CG-CB 4.21Å; Y124-K191 HydrophobicContact CG-CG 3.93Å; Y124-A194 HydrophobicContact CE1-CB 4.49Å; Y124-I195 WeakPolarHBondContact CD1-O 3.45Å; Y124-E196 HydrophobicContact CD1-CG 3.81Å; Y124-E196 HydrophobicContact CE1-CG 3.55Å; Y124-E196 HydrophobicContact CG-CG 4.49Å
125A93.4Very high92Very high5 Ų565.4 Ų65.44%0.04133%0.334CS..  trans-62.2153.3172.200000111.7N129 L182 M197 A198A125-N129 HydrophobicContact CB-CB 4.16Å; A125-L182 HydrophobicContact CB-CD1 3.4Å; A125-M197 HydrophobicContact CB-CB 3.86Å; A125-A198 HydrophobicContact CB-CB 4.37Å
126R93.1Very high92.1Very high112 Ų11265.6 Ų65.642%0.42334%0.342SS..  trans-114.2168.2176.9-57-173.5-162.2163.314.9109.7M48 R49 G128 N129M48-R126 PolarHBondContact O-NH2 3.09Å; R49-R126 VanDerWaalsContact NE-NH2 3.11Å; R49-R126 VanDerWaalsContact NH1-CZ 3.32Å; R49-R126 VanDerWaalsContact NH1-NE 3.12Å; R126-G128 PolarHBondContact O-N 2.94Å; R126-N129 PolarHBondContact N-OD1 2.92Å; R126-N129 WeakPolarHBondContact O-CB 3.17Å; R126-N129 PolarHBondContact O-N 3.34Å; R126-N129 PolarHBondContact O-OD1 3.13Å
127A93.6Very high92.3Very high52 Ų5266.4 Ų66.443%0.4335%0.346SS..THydrogen-bonded Turntrans-53.4134.5169.300000110.2N129 L182 P184A127-N129 VanDerWaalsContact C-N 3.34Å; A127-L182 CarbonylContact C-O 3.52Å; A127-L182 VanDerWaalsContact CA-O 3.3Å; A127-L182 WeakPolarHBondContact CA-O 3.46Å; A127-P184 HydrophobicContact CB-CB 4.22Å; A127-P184 HydrophobicContact CB-CG 3.79Å
128G91.9Very high92.5Very high53 Ų5368.6 Ų68.655%0.54635%0.353SS..THydrogen-bonded Turntrans88.9-13.9-176.900000115R126 L182R126-G128 PolarHBondContact O-N 2.94Å; G128-L182 PolarHBondContact N-O 2.94Å
129N92.7Very high92.8Very high39 Ų3968.1 Ų68.121%0.20935%0.352CS..PPolyproline II helixtrans-72.8150.3170.5-71.7132.5000110.9N47 A125 R126 A127 L182N47-N129 PolarHBondContact OD1-ND2 2.67Å; A125-N129 HydrophobicContact CB-CB 4.16Å; R126-N129 PolarHBondContact N-OD1 2.92Å; R126-N129 WeakPolarHBondContact O-CB 3.17Å; R126-N129 PolarHBondContact O-N 3.34Å; R126-N129 PolarHBondContact O-OD1 3.13Å; A127-N129 VanDerWaalsContact C-N 3.34Å; N129-L182 HydrophobicContact CB-CD1 4.46Å; N129-L182 WeakPolarHBondContact O-CB 3.38Å; N129-L182 WeakPolarHBondContact O-CG 3.44Å; N129-L182 PolarHBondContact O-N 3.15Å
130Q93.5Very high93.1Very high133 Ų13367.5 Ų67.562%0.62136%0.355SS*.BIsolated β-bridgetrans-80.1137.3170-69.1179-4.400110.2D180 V181Q130-D180 CarbonylContact C-O 3.51Å; Q130-D180 WeakPolarHBondContact CA-O 3.34Å; Q130-V181 HydrophobicContact CG-CG2 4.45Å
131A94Very high93.4Very high4 Ų466.6 Ų66.63%0.03336%0.359CS..PPolyproline II helixtrans-70131.4174.700000110.7C176 K177 G179 D180 L182A131-C176 HydrophobicContact CB-CB 4.1Å; A131-K177 VanDerWaalsContact CB-O 3.25Å; A131-K177 WeakPolarHBondContact CB-O 3.28Å; A131-G179 PolarHBondContact O-N 3Å; A131-D180 PolarHBondContact N-O 3.23Å; A131-L182 HydrophobicContact CB-CD2 4.15Å; A131-L182 HydrophobicContact CB-CG 4.33Å
132Q92.9Very high93.5Very high109 Ų10964.3 Ų64.351%0.50935%0.349SS..SBendtrans-86.2-13.8-179.6-64.9-171.7-51.200113.7M197Q132-M197 VanDerWaalsContact CD-O 3.27Å; Q132-M197 WeakPolarHBondContact CG-O 3.42Å; Q132-M197 VanDerWaalsContact OE1-C 3.26Å; Q132-M197 PolarHBondContact OE1-O 2.85Å; Q132-M197 VanDerWaalsContact OE1-O 3.09Å
133M93.4Very high93.5Very high86 Ų8668 Ų6842%0.42436%0.361SS..SBendtrans-158.5159.5-179.963.8-178.2-174.100110.5V135 I195 M197M133-V135 HydrophobicContact CE-CG2 4.02Å; M133-V135 HydrophobicContact CG-CG2 4.45Å; M133-I195 HydrophobicContact CE-CG2 3.42Å; M133-I195 VanDerWaalsContact CE-CG2 3.42Å; M133-M197 HydrophobicContact CE-CE 3.79Å; M133-M197 HydrophobicContact CE-CG 4.44Å; M133-M197 HydrophobicContact CG-CE 3.57Å; M133-M197 WeakPolarHBondContact O-CE 3.27Å
134D95.3Very high93.5Very high101 Ų10172.1 Ų72.154%0.5438%0.379SS..  trans-67.6134.3171-66.2-11.2000110.7C176 K177 E178D134-C176 WeakPolarHBondContact CA-O 3.47Å; D134-K177 WeakPolarHBondContact OD1-CA 3.37Å; D134-K177 WeakPolarHBondContact OD1-CB 3.13Å; D134-E178 PolarHBondContact OD1-N 3.37Å
135V95.7Very high93.6Very high11 Ų1170 Ų707%0.06737%0.371CS..EExtended strand (participates in β ladder)trans-126.6117.5171.61700000110.1M133 V175 C176 L190 I195 M197M133-V135 HydrophobicContact CE-CG2 4.02Å; M133-V135 HydrophobicContact CG-CG2 4.45Å; V135-V175 HydrophobicContact CB-CB 4.26Å; V135-V175 HydrophobicContact CG1-CB 3.94Å; V135-V175 HydrophobicContact CG1-CG2 3.97Å; V135-V175 PolarHBondContact O-N 2.81Å; V135-C176 PolarHBondContact N-O 3.09Å; V135-L190 HydrophobicContact CB-CD2 4.23Å; V135-L190 HydrophobicContact CG1-CD2 4.17Å; V135-L190 HydrophobicContact CG2-CD2 4.08Å; V135-I195 HydrophobicContact CG1-CD1 3.7Å; V135-I195 HydrophobicContact CG2-CD1 4.11Å; V135-I195 HydrophobicContact CG2-CG2 4.27Å; V135-M197 HydrophobicContact CB-CE 4.12Å; V135-M197 HydrophobicContact CG2-CE 3.11Å
136T95.4Very high93.6Very high69 Ų6972.8 Ų72.842%0.42339%0.389SS..EExtended strand (participates in β ladder)trans-120.7133.2173.8-56.40000109D174T136-D174 VanDerWaalsContact CG2-OD1 3.24Å; T136-D174 WeakPolarHBondContact CG2-OD1 3.49Å; T136-D174 PolarHBondContact OG1-OD1 3.05Å
137L94.4Very high93.6Very high18 Ų1873.2 Ų73.29%0.09440%0.396CS..EExtended strand (participates in β ladder)trans-97.9125175.4-60.2175.2000109.1L158 L169 A172 Y173 V175 F193L137-L158 HydrophobicContact CD1-CD2 3.76Å; L137-L169 HydrophobicContact CB-CD2 3.85Å; L137-A172 CarbonylContact O-C 3.58Å; L137-A172 WeakPolarHBondContact O-CA 3.44Å; L137-Y173 PolarHBondContact N-O 3.49Å; L137-Y173 PolarHBondContact O-N 2.95Å; L137-V175 HydrophobicContact CD1-CG2 3.75Å; L137-V175 HydrophobicContact CG-CG2 3.81Å; L137-F193 HydrophobicContact CD1-CD2 4.31Å; L137-F193 HydrophobicContact CD1-CE1 4Å; L137-F193 HydrophobicContact CD1-CE2 3.65Å; L137-F193 HydrophobicContact CD1-CZ 3.45Å; L137-F193 VanDerWaalsContact CD1-CZ 3.45Å; L137-F193 HydrophobicContact CD2-CD1 3.77Å; L137-F193 HydrophobicContact CD2-CE1 3.64Å; L137-F193 HydrophobicContact CD2-CE2 4.45Å; L137-F193 HydrophobicContact CD2-CG 4.22Å; L137-F193 HydrophobicContact CD2-CZ 4Å; L137-F193 HydrophobicContact CG-CE1 4.44Å; L137-F193 HydrophobicContact CG-CZ 4.35Å
138E94.4Very high93.5Very high144 Ų14474.8 Ų74.867%0.67340%0.403SS*.PPolyproline II helixtrans-71.8150.8177.4-64-59.7150.100112L169E138-L169 WeakPolarHBondContact O-CD2 3.04Å
139E95.3Very high93.6Very high136 Ų13674.3 Ų74.364%0.63639%0.387SS*.SBendtrans-64.8142.1172.564.1174.3-153.800111.5
140G93.9Very high93.6Very high21 Ų2172.8 Ų72.822%0.21638%0.379CS..EExtended strand (participates in β ladder)trans143.7-179.1-179.700000115.3T168 L169G140-T168 CarbonylContact O-C 3.57Å; G140-T168 WeakPolarHBondContact O-CA 3.3Å; G140-T168 WeakPolarHBondContact O-CG2 3.46Å; G140-L169 PolarHBondContact N-O 2.9Å; G140-L169 PolarHBondContact O-N 3.14Å
141P93.6Very high93.7Very high80 Ų8070 Ų7052%0.51937%0.373SS..EExtended strand (participates in β ladder)trans-69.9130.8178.529.4-33.1000111.1E143 V166P141-E143 HydrophobicContact CB-CG 4.18Å; P141-V166 HydrophobicContact CB-CG1 4.02Å
142L92.6Very high93.6Very high13 Ų1372.3 Ų72.37%0.06838%0.383CS..  trans-99.271.1174.3-59.3178.1000109.6Q144 F145 T160 V167 L169 F193L142-Q144 VanDerWaalsContact CA-OE1 3.29Å; L142-Q144 PolarHBondContact O-N 3.07Å; L142-F145 HydrophobicContact CB-CD2 3.9Å; L142-F145 HydrophobicContact CB-CE2 4.48Å; L142-F145 HydrophobicContact CD1-CD2 4.23Å; L142-F145 HydrophobicContact CD1-CE2 4.35Å; L142-F145 PolarHBondContact O-N 3.24Å; L142-T160 HydrophobicContact CD1-CG2 4.32Å; L142-V167 HydrophobicContact CB-CB 4.47Å; L142-V167 HydrophobicContact CB-CG1 4.44Å; L142-V167 HydrophobicContact CD1-CG1 4.39Å; L142-V167 PolarHBondContact N-O 2.88Å; L142-L169 HydrophobicContact CD1-CB 4.29Å; L142-L169 HydrophobicContact CG-CB 4.38Å; L142-F193 HydrophobicContact CD1-CZ 4.08Å; L142-F193 HydrophobicContact CD2-CE1 4Å; L142-F193 HydrophobicContact CD2-CZ 4.26Å
143E90.9Very high93.7Very high155 Ų15567.1 Ų67.172%0.72436%0.358SS*.THydrogen-bonded Turntrans-65-19.4-174.3-60.3-172.7164.100113.7P141 F145 V166P141-E143 HydrophobicContact CB-CG 4.18Å; E143-F145 PolarHBondContact O-N 3.16Å; E143-V166 HydrophobicContact CG-CG1 4.13Å
144Q91.6Very high93.7Very high111 Ų11169.4 Ų69.452%0.51936%0.362SS..THydrogen-bonded Turntrans-66.7-15.9175.970.6-85.626.600113.5L142 F193L142-Q144 VanDerWaalsContact CA-OE1 3.29Å; L142-Q144 PolarHBondContact O-N 3.07Å; Q144-F193 VanDerWaalsContact NE2-CE1 3.33Å
145F93.2Very high93.7Very high17 Ų1772.2 Ų72.28%0.07537%0.372CS..SBendtrans-108.6136.2-178.6-59.9-54.7000112.3L142 E143 M149 L153 L192 F193L142-F145 HydrophobicContact CB-CD2 3.9Å; L142-F145 HydrophobicContact CB-CE2 4.48Å; L142-F145 HydrophobicContact CD1-CD2 4.23Å; L142-F145 HydrophobicContact CD1-CE2 4.35Å; L142-F145 PolarHBondContact O-N 3.24Å; E143-F145 PolarHBondContact O-N 3.16Å; F145-M149 HydrophobicContact CB-CE 4.29Å; F145-M149 HydrophobicContact CD1-CE 3.31Å; F145-M149 HydrophobicContact CE1-CE 3.98Å; F145-M149 HydrophobicContact CG-CE 4.13Å; F145-L153 HydrophobicContact CB-CD1 4.16Å; F145-L153 HydrophobicContact CD2-CD1 3.68Å; F145-L153 HydrophobicContact CD2-CD2 4.46Å; F145-L153 HydrophobicContact CE2-CD1 4.29Å; F145-L153 HydrophobicContact CE2-CD2 4.31Å; F145-L153 HydrophobicContact CG-CD1 3.98Å; F145-L192 HydrophobicContact CE1-CB 4.03Å; F145-L192 WeakPolarHBondContact CE1-O 3.41Å; F145-L192 HydrophobicContact CZ-CB 4.03Å; F145-L192 WeakPolarHBondContact CZ-O 3.27Å; F145-F193 HydrophobicContact CE2-CD1 4.3Å; F145-F193 HydrophobicContact CE2-CD2 4.36Å; F145-F193 AromaticContact CE2-CE1 3.78Å; F145-F193 HydrophobicContact CE2-CE1 3.78Å; F145-F193 AromaticContact CE2-CE2 3.83Å; F145-F193 HydrophobicContact CE2-CE2 3.83Å; F145-F193 AromaticContact CE2-CZ 3.53Å; F145-F193 HydrophobicContact CE2-CZ 3.53Å; F145-F193 HydrophobicContact CZ-CD1 4.29Å; F145-F193 HydrophobicContact CZ-CD2 4.06Å; F145-F193 HydrophobicContact CZ-CE1 4.22Å; F145-F193 AromaticContact CZ-CE2 3.96Å; F145-F193 HydrophobicContact CZ-CE2 3.96Å; F145-F193 HydrophobicContact CZ-CG 4.23Å; F145-F193 HydrophobicContact CZ-CZ 4.05Å
146P94Very high93.6Very high64 Ų6472.3 Ų72.342%0.41637%0.372SS..  trans-69.1151.3172.531.5-34.8000110.4S148 M149P146-S148 PolarHBondContact O-N 3.04Å; P146-M149 HydrophobicContact CG-CB 4.3Å; P146-M149 HydrophobicContact CG-CE 4.48Å; P146-M149 HydrophobicContact CG-CG 3.9Å; P146-M149 PolarHBondContact O-N 3.28Å
147H92.3Very high93.4Very high122 Ų12271 Ų7157%0.56537%0.373SS*.G310 helixtrans-54.4-28.7179.864.1-87.5000113.8M149 E150 L162H147-M149 VanDerWaalsContact C-N 3.27Å; H147-M149 PolarHBondContact O-N 2.77Å; H147-E150 WeakPolarHBondContact O-CB 3.4Å; H147-E150 PolarHBondContact O-N 3.39Å; H147-L162 HydrophobicContact CB-CD2 3.78Å
148S93.3Very high93.4Very high84 Ų8470.3 Ų70.359%0.58737%0.369SS*.G310 helixtrans-68.8-20.717858.40000114.1P146 E150 P151P146-S148 PolarHBondContact O-N 3.04Å; S148-E150 VanDerWaalsContact C-N 3.34Å; S148-P151 WeakPolarHBondContact O-CD 3.29Å
149M93.2Very high93.4Very high43 Ų4364.8 Ų64.821%0.21235%0.346CS..G310 helixtrans-85.2-7.6177.2-77.5-137.2-65.600113.3F145 P146 H147 Q152 L153 L192F145-M149 HydrophobicContact CB-CE 4.29Å; F145-M149 HydrophobicContact CD1-CE 3.31Å; F145-M149 HydrophobicContact CE1-CE 3.98Å; F145-M149 HydrophobicContact CG-CE 4.13Å; P146-M149 HydrophobicContact CG-CB 4.3Å; P146-M149 HydrophobicContact CG-CE 4.48Å; P146-M149 HydrophobicContact CG-CG 3.9Å; P146-M149 PolarHBondContact O-N 3.28Å; H147-M149 VanDerWaalsContact C-N 3.27Å; H147-M149 PolarHBondContact O-N 2.77Å; M149-Q152 WeakPolarHBondContact O-CB 3.4Å; M149-Q152 PolarHBondContact O-N 3.3Å; M149-Q152 VanDerWaalsContact O-N 3.09Å; M149-L153 WeakPolarHBondContact O-CG 3.35Å; M149-L153 PolarHBondContact O-N 2.91Å; M149-L192 HydrophobicContact CE-CD2 4.21Å; M149-L192 HydrophobicContact SD-CD2 4.38Å
150E93.4Very high93.4Very high7 Ų758.6 Ų58.63%0.03332%0.317CS..Hα-helixtrans-56.2-45.9-179.4-165.2-80.7151.900113.6H147 S148 Q152 L153 R154 T160 L162 V167H147-E150 WeakPolarHBondContact O-CB 3.4Å; H147-E150 PolarHBondContact O-N 3.39Å; S148-E150 VanDerWaalsContact C-N 3.34Å; E150-Q152 VanDerWaalsContact C-N 3.25Å; E150-Q152 PolarHBondContact O-N 2.86Å; E150-L153 PolarHBondContact O-N 3.21Å; E150-R154 PolarHBondContact O-N 2.91Å; E150-R154 IonicContact OE1-CZ 3.21Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.17Å; E150-R154 IonicContact OE1-NH2 2.63Å; E150-R154 PolarHBondContact OE1-NH2 2.98Å; E150-R154 IonicContact OE2-CZ 3.32Å; E150-R154 IonicContact OE2-NH1 3.74Å; E150-R154 IonicContact OE2-NH2 2.68Å; E150-R154 PolarHBondContact OE2-NH2 3.39Å; E150-T160 VanDerWaalsContact OE1-C 3.32Å; E150-T160 PolarHBondContact OE1-OG1 2.85Å; E150-L162 HydrophobicContact CB-CD2 4.22Å; E150-L162 HydrophobicContact CB-CG 4.21Å; E150-L162 HydrophobicContact CG-CD2 4.31Å; E150-L162 HydrophobicContact CG-CG 4.03Å; E150-V167 HydrophobicContact CB-CG1 4.36Å; E150-V167 HydrophobicContact CB-CG2 3.85Å; E150-V167 HydrophobicContact CG-CG1 3.98Å; E150-V167 HydrophobicContact CG-CG2 4.21Å
151P93.9Very high93.4Very high76 Ų7659 Ų5949%0.49432%0.318SS..Hα-helixtrans-62.1-34.5177.2-23.135.1000112.8S148 Q155S148-P151 WeakPolarHBondContact O-CD 3.29Å; P151-Q155 WeakPolarHBondContact O-CB 3.45Å; P151-Q155 PolarHBondContact O-N 2.98Å
152Q93.7Very high93.4Very high52 Ų5259.1 Ų59.124%0.24331%0.314CS..Hα-helixtrans-68.4-44.8176.7-179-174.6-43.600111M149 E150 R154 Q155 L156M149-Q152 WeakPolarHBondContact O-CB 3.4Å; M149-Q152 PolarHBondContact O-N 3.3Å; M149-Q152 VanDerWaalsContact O-N 3.09Å; E150-Q152 VanDerWaalsContact C-N 3.25Å; E150-Q152 PolarHBondContact O-N 2.86Å; Q152-R154 VanDerWaalsContact C-N 3.3Å; Q152-R154 PolarHBondContact O-N 3.45Å; Q152-Q155 WeakPolarHBondContact O-CB 3.27Å; Q152-Q155 PolarHBondContact O-N 3.45Å; Q152-L156 HydrophobicContact CG-CD1 4.45Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.08Å
153L94.2Very high93.3Very high0 Ų063.9 Ų63.90%033%0.334CS..Hα-helixtrans-61.7-40.8177.6-68168.5000111F145 M149 E150 L156 L158 T160 V167 L189 L192F145-L153 HydrophobicContact CB-CD1 4.16Å; F145-L153 HydrophobicContact CD2-CD1 3.68Å; F145-L153 HydrophobicContact CD2-CD2 4.46Å; F145-L153 HydrophobicContact CE2-CD1 4.29Å; F145-L153 HydrophobicContact CE2-CD2 4.31Å; F145-L153 HydrophobicContact CG-CD1 3.98Å; M149-L153 WeakPolarHBondContact O-CG 3.35Å; M149-L153 PolarHBondContact O-N 2.91Å; E150-L153 PolarHBondContact O-N 3.21Å; L153-L156 PolarHBondContact O-N 3.11Å; L153-L158 HydrophobicContact CB-CD1 4.12Å; L153-L158 HydrophobicContact CD2-CD1 3.89Å; L153-L158 WeakPolarHBondContact O-CB 3.13Å; L153-L158 PolarHBondContact O-N 3.39Å; L153-T160 HydrophobicContact CB-CG2 4.34Å; L153-V167 HydrophobicContact CD1-CG1 3.9Å; L153-L189 HydrophobicContact CD2-CD2 4.35Å; L153-L192 HydrophobicContact CD2-CD1 3.94Å
154R94.2Very high93.3Very high133 Ų13366.9 Ų66.950%0.50235%0.345SS..Hα-helixtrans-62.8-40.9173.6-166.6-172.3-60.7140.2-0.5112.6E150 Q152 L156 G157 L158E150-R154 PolarHBondContact O-N 2.91Å; E150-R154 IonicContact OE1-CZ 3.21Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.17Å; E150-R154 IonicContact OE1-NH2 2.63Å; E150-R154 PolarHBondContact OE1-NH2 2.98Å; E150-R154 IonicContact OE2-CZ 3.32Å; E150-R154 IonicContact OE2-NH1 3.74Å; E150-R154 IonicContact OE2-NH2 2.68Å; E150-R154 PolarHBondContact OE2-NH2 3.39Å; Q152-R154 VanDerWaalsContact C-N 3.3Å; Q152-R154 PolarHBondContact O-N 3.45Å; R154-L156 PolarHBondContact O-N 2.96Å; R154-G157 PolarHBondContact O-N 2.71Å; R154-L158 WeakPolarHBondContact CA-O 3.43Å
155Q94.2Very high93.1Very high160 Ų16064 Ų6475%0.74835%0.345SS*.Hα-helixtrans-64-28.5176.2-171.7178.89.900112.5P151 Q152 G157P151-Q155 WeakPolarHBondContact O-CB 3.45Å; P151-Q155 PolarHBondContact O-N 2.98Å; Q152-Q155 WeakPolarHBondContact O-CB 3.27Å; Q152-Q155 PolarHBondContact O-N 3.45Å; Q155-G157 PolarHBondContact O-N 3.05Å
156L93.6Very high93.1Very high14 Ų1465.7 Ų65.77%0.07336%0.357CS..THydrogen-bonded Turntrans-79.84.5174.5-61.8171.9000113.4Q152 L153 R154 E185 R188 L189 L192Q152-L156 HydrophobicContact CG-CD1 4.45Å; Q152-L156 WeakPolarHBondContact O-CG 3.44Å; Q152-L156 PolarHBondContact O-N 3.37Å; Q152-L156 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.11Å; R154-L156 PolarHBondContact O-N 2.96Å; L156-E185 HydrophobicContact CD2-CB 4.25Å; L156-E185 HydrophobicContact CD2-CG 4.31Å; L156-R188 HydrophobicContact CD1-CB 4.41Å; L156-R188 HydrophobicContact CD1-CG 3.9Å; L156-R188 HydrophobicContact CD2-CB 4.23Å; L156-R188 HydrophobicContact CD2-CG 4.18Å; L156-L189 HydrophobicContact CB-CD1 4.44Å; L156-L189 HydrophobicContact CB-CD2 3.85Å; L156-L189 HydrophobicContact CB-CG 4.05Å; L156-L189 HydrophobicContact CD1-CD2 3.85Å; L156-L189 HydrophobicContact CD1-CG 4.32Å; L156-L192 HydrophobicContact CD1-CD1 3.67Å
157G91.9Very high93.2Very high42 Ų4262.7 Ų62.743%0.43334%0.337SS..THydrogen-bonded Turntrans96.1-2.617600000114.8R154 Q155 Y173R154-G157 PolarHBondContact O-N 2.71Å; Q155-G157 PolarHBondContact O-N 3.05Å; G157-Y173 WeakPolarHBondContact O-CE2 3.4Å
158L94.1Very high93.3Very high2 Ų257.4 Ų57.41%0.0131%0.313CS..  trans-71.9132.9178.5-69.3174.8000111.5L137 L153 R154 T160 L169 Y173 L189 F193L137-L158 HydrophobicContact CD1-CD2 3.76Å; L153-L158 HydrophobicContact CB-CD1 4.12Å; L153-L158 HydrophobicContact CD2-CD1 3.89Å; L153-L158 WeakPolarHBondContact O-CB 3.13Å; L153-L158 PolarHBondContact O-N 3.39Å; R154-L158 WeakPolarHBondContact CA-O 3.43Å; L158-T160 HydrophobicContact CB-CG2 3.86Å; L158-T160 PolarHBondContact O-N 2.86Å; L158-L169 HydrophobicContact CB-CD1 4.13Å; L158-L169 HydrophobicContact CD2-CD1 4.11Å; L158-Y173 HydrophobicContact CD2-CD1 3.56Å; L158-Y173 HydrophobicContact CD2-CD2 4.46Å; L158-Y173 HydrophobicContact CD2-CE1 4.02Å; L158-Y173 HydrophobicContact CD2-CG 3.82Å; L158-L189 HydrophobicContact CD1-CD2 3.42Å; L158-L189 VanDerWaalsContact CD1-CD2 3.42Å; L158-L189 HydrophobicContact CD2-CD1 4.13Å; L158-L189 HydrophobicContact CD2-CD2 4.44Å; L158-L189 HydrophobicContact CG-CD1 4.05Å; L158-L189 HydrophobicContact CG-CD2 3.74Å; L158-F193 HydrophobicContact CD1-CE2 4.06Å; L158-F193 HydrophobicContact CD1-CZ 4.34Å
159P94.3Very high93.4Very high29 Ų2953.5 Ų53.519%0.18829%0.286CS..  trans-76.373.8173.632.4-36.4000110.6L169 L170 K171 Y173P159-L169 HydrophobicContact CG-CD1 4Å; P159-L170 WeakPolarHBondContact O-CB 3.42Å; P159-L170 WeakPolarHBondContact O-CG 3.23Å; P159-L170 PolarHBondContact O-N 3.47Å; P159-K171 HydrophobicContact CB-CG 4.05Å; P159-K171 HydrophobicContact CG-CD 4.25Å; P159-K171 HydrophobicContact CG-CG 3.53Å; P159-Y173 HydrophobicContact CG-CD2 4.3Å
160T94.6Very high93.5Very high6 Ų655.7 Ų55.74%0.03730%0.298CS..EExtended strand (participates in β ladder)trans-103.4153179.958.10000113.4L142 E150 L153 L158 V167 T168 L169L142-T160 HydrophobicContact CD1-CG2 4.32Å; E150-T160 VanDerWaalsContact OE1-C 3.32Å; E150-T160 PolarHBondContact OE1-OG1 2.85Å; L153-T160 HydrophobicContact CB-CG2 4.34Å; L158-T160 HydrophobicContact CB-CG2 3.86Å; L158-T160 PolarHBondContact O-N 2.86Å; T160-V167 HydrophobicContact CG2-CG1 4.07Å; T160-T168 WeakPolarHBondContact CA-O 3.37Å; T160-L169 HydrophobicContact CG2-CD1 3.88Å
161A93.8Very high93.6Very high28 Ų2861.4 Ų61.423%0.23132%0.322CS..EExtended strand (participates in β ladder)trans-144.3157.1166.300000111.1K163 T168 L170A161-K163 PolarHBondContact O-N 3.47Å; A161-T168 PolarHBondContact N-O 2.88Å; A161-T168 PolarHBondContact O-N 2.82Å; A161-L170 HydrophobicContact CB-CD1 4.18Å; A161-L170 HydrophobicContact CB-CD2 4Å; A161-L170 HydrophobicContact CB-CG 4.25Å
162L93.9Very high93.6Very high84 Ų8460 Ų6044%0.4432%0.318SS..EExtended strand (participates in β ladder)trans-81.8113.1171.1-73.8170.1000110.1H147 E150 V166 V167H147-L162 HydrophobicContact CB-CD2 3.78Å; E150-L162 HydrophobicContact CB-CD2 4.22Å; E150-L162 HydrophobicContact CB-CG 4.21Å; E150-L162 HydrophobicContact CG-CD2 4.31Å; E150-L162 HydrophobicContact CG-CG 4.03Å; L162-V166 WeakPolarHBondContact CA-O 3.29Å; L162-V167 HydrophobicContact CD2-CG2 4.04Å
163K91.9Very high93.7Very high113 Ų11360.5 Ų60.549%0.49132%0.318SS..EExtended strand (participates in β ladder)trans-108.6116.9169.5-64.3-172.5-173.6171.20108.6A161 G165 V166 T168A161-K163 PolarHBondContact O-N 3.47Å; K163-G165 PolarHBondContact O-N 2.84Å; K163-G165 VanDerWaalsContact O-N 3.16Å; K163-V166 PolarHBondContact N-O 2.79Å; K163-V166 PolarHBondContact O-N 3.07Å; K163-T168 HydrophobicContact CD-CG2 4.01Å
164K89.6Confident93.7Very high218 Ų21865.1 Ų65.195%0.94834%0.342SS*.THydrogen-bonded Turntrans51.836-178.2-57.5-179.8178.8178.30113.7V166K164-V166 VanDerWaalsContact C-N 3.31Å; K164-V166 PolarHBondContact O-N 3.44Å
165G88.6Confident93.7Very high50 Ų5059 Ų5952%0.51532%0.32SS..THydrogen-bonded Turntrans82.10.3-179.700000115.5K163K163-G165 PolarHBondContact O-N 2.84Å; K163-G165 VanDerWaalsContact O-N 3.16Å
166V93.5Very high93.8Very high53 Ų5351.6 Ų51.632%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-105135176.3-1770000109.8P141 E143 L162 K163 K164 T168P141-V166 HydrophobicContact CB-CG1 4.02Å; E143-V166 HydrophobicContact CG-CG1 4.13Å; L162-V166 WeakPolarHBondContact CA-O 3.29Å; K163-V166 PolarHBondContact N-O 2.79Å; K163-V166 PolarHBondContact O-N 3.07Å; K164-V166 VanDerWaalsContact C-N 3.31Å; K164-V166 PolarHBondContact O-N 3.44Å; V166-T168 PolarHBondContact O-N 3.29Å; V166-T168 PolarHBondContact O-OG1 3.16Å
167V95Very high93.9Very high0 Ų056.6 Ų56.60%031%0.307CS..EExtended strand (participates in β ladder)trans-65.2122.3173.5-175.70000108.2L142 E150 L153 T160 L162L142-V167 HydrophobicContact CB-CB 4.47Å; L142-V167 HydrophobicContact CB-CG1 4.44Å; L142-V167 HydrophobicContact CD1-CG1 4.39Å; L142-V167 PolarHBondContact N-O 2.88Å; E150-V167 HydrophobicContact CB-CG1 4.36Å; E150-V167 HydrophobicContact CB-CG2 3.85Å; E150-V167 HydrophobicContact CG-CG1 3.98Å; E150-V167 HydrophobicContact CG-CG2 4.21Å; L153-V167 HydrophobicContact CD1-CG1 3.9Å; T160-V167 HydrophobicContact CG2-CG1 4.07Å; L162-V167 HydrophobicContact CD2-CG2 4.04Å
168T94.8Very high94Very high12 Ų1261.1 Ų61.17%0.07432%0.317CS..EExtended strand (participates in β ladder)trans-125.1129.1-179.4-52.80000109.5G140 T160 A161 K163 V166G140-T168 CarbonylContact O-C 3.57Å; G140-T168 WeakPolarHBondContact O-CA 3.3Å; G140-T168 WeakPolarHBondContact O-CG2 3.46Å; T160-T168 WeakPolarHBondContact CA-O 3.37Å; A161-T168 PolarHBondContact N-O 2.88Å; A161-T168 PolarHBondContact O-N 2.82Å; K163-T168 HydrophobicContact CD-CG2 4.01Å; V166-T168 PolarHBondContact O-N 3.29Å; V166-T168 PolarHBondContact O-OG1 3.16Å
169L96.1Very high94Very high2 Ų263 Ų631%0.0134%0.337CS..EExtended strand (participates in β ladder)trans-75.1125.4169.6-164.171.1000109.1L137 E138 G140 L142 L158 P159 T160 K171L137-L169 HydrophobicContact CB-CD2 3.85Å; E138-L169 WeakPolarHBondContact O-CD2 3.04Å; G140-L169 PolarHBondContact N-O 2.9Å; G140-L169 PolarHBondContact O-N 3.14Å; L142-L169 HydrophobicContact CD1-CB 4.29Å; L142-L169 HydrophobicContact CG-CB 4.38Å; L158-L169 HydrophobicContact CB-CD1 4.13Å; L158-L169 HydrophobicContact CD2-CD1 4.11Å; P159-L169 HydrophobicContact CG-CD1 4Å; T160-L169 HydrophobicContact CG2-CD1 3.88Å; L169-K171 VanDerWaalsContact CD2-O 3.26Å; L169-K171 WeakPolarHBondContact CD2-O 3.13Å; L169-K171 VanDerWaalsContact CG-O 3.24Å; L169-K171 WeakPolarHBondContact CG-O 3.43Å
170L94.8Very high94Very high88 Ų8865.2 Ų65.246%0.46135%0.347SS..SBendtrans-80.6-23.8-172.2-65.2175.9000114P159 A161P159-L170 WeakPolarHBondContact O-CB 3.42Å; P159-L170 WeakPolarHBondContact O-CG 3.23Å; P159-L170 PolarHBondContact O-N 3.47Å; A161-L170 HydrophobicContact CB-CD1 4.18Å; A161-L170 HydrophobicContact CB-CD2 4Å; A161-L170 HydrophobicContact CB-CG 4.25Å
171K94.5Very high94Very high127 Ų12769.3 Ų69.355%0.55237%0.372SS*.SBendtrans-153.7155.8179.860.3173.7-174.7171.50108.9P159 L169P159-K171 HydrophobicContact CB-CG 4.05Å; P159-K171 HydrophobicContact CG-CD 4.25Å; P159-K171 HydrophobicContact CG-CG 3.53Å; L169-K171 VanDerWaalsContact CD2-O 3.26Å; L169-K171 WeakPolarHBondContact CD2-O 3.13Å; L169-K171 VanDerWaalsContact CG-O 3.24Å; L169-K171 WeakPolarHBondContact CG-O 3.43Å
172A94.2Very high94.1Very high48 Ų4868.1 Ų68.140%0.39736%0.361SS..  trans-55144.3171.100000111.1L137L137-A172 CarbonylContact O-C 3.58Å; L137-A172 WeakPolarHBondContact O-CA 3.44Å
173Y95.2Very high94.2Very high62 Ų6266.8 Ų66.824%0.24336%0.357CS..EExtended strand (participates in β ladder)trans-138118.5-176.2-174.5-87.7000111.2L137 G157 L158 P159 V175 L189L137-Y173 PolarHBondContact N-O 3.49Å; L137-Y173 PolarHBondContact O-N 2.95Å; G157-Y173 WeakPolarHBondContact O-CE2 3.4Å; L158-Y173 HydrophobicContact CD2-CD1 3.56Å; L158-Y173 HydrophobicContact CD2-CD2 4.46Å; L158-Y173 HydrophobicContact CD2-CE1 4.02Å; L158-Y173 HydrophobicContact CD2-CG 3.82Å; P159-Y173 HydrophobicContact CG-CD2 4.3Å; Y173-V175 HydrophobicContact CD1-CG2 3.99Å; Y173-V175 HydrophobicContact CE1-CG2 4.28Å; Y173-V175 PolarHBondContact O-N 3.36Å; Y173-L189 HydrophobicContact CE1-CD1 4.35Å
174D95.1Very high94.3Very high96 Ų9665.3 Ų65.351%0.51336%0.359SS..EExtended strand (participates in β ladder)trans-78.1113.7174.3-57.7-6.1000108.6T136T136-D174 VanDerWaalsContact CG2-OD1 3.24Å; T136-D174 WeakPolarHBondContact CG2-OD1 3.49Å; T136-D174 PolarHBondContact OG1-OD1 3.05Å
175V94.9Very high94.6Very high4 Ų459.1 Ų59.12%0.02433%0.333CS..EExtended strand (participates in β ladder)trans-77.4-51.2179.7179.90000110.1V135 L137 Y173 Q186 L189 L190V135-V175 HydrophobicContact CB-CB 4.26Å; V135-V175 HydrophobicContact CG1-CB 3.94Å; V135-V175 HydrophobicContact CG1-CG2 3.97Å; V135-V175 PolarHBondContact O-N 2.81Å; L137-V175 HydrophobicContact CD1-CG2 3.75Å; L137-V175 HydrophobicContact CG-CG2 3.81Å; Y173-V175 HydrophobicContact CD1-CG2 3.99Å; Y173-V175 HydrophobicContact CE1-CG2 4.28Å; Y173-V175 PolarHBondContact O-N 3.36Å; V175-Q186 HydrophobicContact CG1-CB 4.33Å; V175-Q186 HydrophobicContact CG1-CG 4.49Å; V175-Q186 VanDerWaalsContact O-CD 3.31Å; V175-Q186 WeakPolarHBondContact O-CG 3.38Å; V175-Q186 PolarHBondContact O-NE2 2.95Å; V175-L189 HydrophobicContact CG1-CB 4.28Å; V175-L190 HydrophobicContact CG1-CD2 4.16Å; V175-L190 HydrophobicContact CG1-CG 4.18Å
176C95.1Very high94.9Very high5 Ų558.4 Ų58.43%0.03432%0.317CS..EExtended strand (participates in β ladder)trans-158.4157.8179.257.10000110.8A131 D134 V135 L182A131-C176 HydrophobicContact CB-CB 4.1Å; D134-C176 WeakPolarHBondContact CA-O 3.47Å; V135-C176 PolarHBondContact N-O 3.09Å; C176-L182 HydrophobicContact CB-CD2 3.6Å
177K95.5Very high95Very high120 Ų12056.3 Ų56.352%0.52230%0.304SS..  trans-107.2155.6168-59-174.3177.5-173.10111.4A131 D134 G179 D180A131-K177 VanDerWaalsContact CB-O 3.25Å; A131-K177 WeakPolarHBondContact CB-O 3.28Å; D134-K177 WeakPolarHBondContact OD1-CA 3.37Å; D134-K177 WeakPolarHBondContact OD1-CB 3.13Å; K177-G179 PolarHBondContact O-N 3.25Å; K177-D180 WeakPolarHBondContact CB-OD2 3.48Å; K177-D180 PolarHBondContact N-OD2 3.17Å; K177-D180 VanDerWaalsContact N-OD2 3.11Å; K177-D180 VanDerWaalsContact O-CB 3.28Å; K177-D180 WeakPolarHBondContact O-CB 3.25Å; K177-D180 PolarHBondContact O-N 3.19Å
178E95.3Very high95Very high137 Ų13761.8 Ų61.864%0.6433%0.325SS*.THydrogen-bonded Turntrans-53.7129.8174.8-172.2179.1169.500110.6D134 D180D134-E178 PolarHBondContact OD1-N 3.37Å; E178-D180 VanDerWaalsContact C-N 3.34Å
179G93.4Very high95Very high42 Ų4261.2 Ų61.243%0.43332%0.322SS..THydrogen-bonded Turntrans87.2-13.1-17700000115.3A131 K177A131-G179 PolarHBondContact O-N 3Å; K177-G179 PolarHBondContact O-N 3.25Å
180D93.6Very high94.9Very high74 Ų7461.2 Ų61.240%0.39632%0.322SS..  trans-68.8141.4178.8-72.7-19.9000111.7Q130 A131 K177 E178 L182Q130-D180 CarbonylContact C-O 3.51Å; Q130-D180 WeakPolarHBondContact CA-O 3.34Å; A131-D180 PolarHBondContact N-O 3.23Å; K177-D180 WeakPolarHBondContact CB-OD2 3.48Å; K177-D180 PolarHBondContact N-OD2 3.17Å; K177-D180 VanDerWaalsContact N-OD2 3.11Å; K177-D180 VanDerWaalsContact O-CB 3.28Å; K177-D180 WeakPolarHBondContact O-CB 3.25Å; K177-D180 PolarHBondContact O-N 3.19Å; E178-D180 VanDerWaalsContact C-N 3.34Å; D180-L182 PolarHBondContact O-N 3.01Å
181V95.6Very high94.9Very high92 Ų9263.2 Ų63.256%0.55833%0.327SS*.BIsolated β-bridgetrans-77.5115.9171.4-1790000109.3Q130Q130-V181 HydrophobicContact CG-CG2 4.45Å
182L95.3Very high94.8Very high3 Ų359.4 Ų59.42%0.01631%0.312CS..  trans-67.6131.7-174.4-68.2169.1000112.4A125 A127 G128 N129 A131 C176 D180 Q186 L190A125-L182 HydrophobicContact CB-CD1 3.4Å; A127-L182 CarbonylContact C-O 3.52Å; A127-L182 VanDerWaalsContact CA-O 3.3Å; A127-L182 WeakPolarHBondContact CA-O 3.46Å; G128-L182 PolarHBondContact N-O 2.94Å; N129-L182 HydrophobicContact CB-CD1 4.46Å; N129-L182 WeakPolarHBondContact O-CB 3.38Å; N129-L182 WeakPolarHBondContact O-CG 3.44Å; N129-L182 PolarHBondContact O-N 3.15Å; A131-L182 HydrophobicContact CB-CD2 4.15Å; A131-L182 HydrophobicContact CB-CG 4.33Å; C176-L182 HydrophobicContact CB-CD2 3.6Å; D180-L182 PolarHBondContact O-N 3.01Å; L182-Q186 HydrophobicContact CD2-CB 3.96Å; L182-L190 HydrophobicContact CD1-CD1 3.72Å; L182-L190 HydrophobicContact CD2-CD1 3.71Å; L182-L190 HydrophobicContact CG-CD1 4.38Å
183T95.8Very high94.8Very high56 Ų5658.9 Ų58.934%0.34430%0.301SS..  trans-77163.3169.181.30000111.5E185 Q186 A187T183-E185 WeakPolarHBondContact CB-OE2 3.37Å; T183-E185 PolarHBondContact O-N 2.86Å; T183-E185 PolarHBondContact OG1-N 3.4Å; T183-E185 PolarHBondContact OG1-OE2 2.73Å; T183-Q186 PolarHBondContact O-N 2.89Å; T183-Q186 PolarHBondContact OG1-N 2.85Å; T183-A187 WeakPolarHBondContact O-CB 3.35Å; T183-A187 PolarHBondContact O-N 3.32Å
184P95.4Very high94.7Very high82 Ų8259 Ų5953%0.53232%0.315SS..Hα-helixtrans-55.5-36.6174-2535000114.1A127 R188A127-P184 HydrophobicContact CB-CB 4.22Å; A127-P184 HydrophobicContact CB-CG 3.79Å; P184-R188 VanDerWaalsContact O-CB 3.3Å; P184-R188 WeakPolarHBondContact O-CB 3.46Å; P184-R188 PolarHBondContact O-N 3.36Å; P184-R188 VanDerWaalsContact O-N 3.09Å
185E94.8Very high94.7Very high88 Ų8856.1 Ų56.141%0.41130%0.299SS..Hα-helixtrans-68.4-48.3177.4-59.673.2-158.500110.9L156 T183 R188 L189L156-E185 HydrophobicContact CD2-CB 4.25Å; L156-E185 HydrophobicContact CD2-CG 4.31Å; T183-E185 WeakPolarHBondContact CB-OE2 3.37Å; T183-E185 PolarHBondContact O-N 2.86Å; T183-E185 PolarHBondContact OG1-N 3.4Å; T183-E185 PolarHBondContact OG1-OE2 2.73Å; E185-R188 PolarHBondContact O-N 2.85Å; E185-L189 WeakPolarHBondContact O-CG 3.24Å; E185-L189 PolarHBondContact O-N 2.96Å
186Q95.1Very high94.6Very high36 Ų3659.9 Ų59.917%0.16832%0.317CS..Hα-helixtrans-60.7-48178.1-68.4171.9-3800111.5V175 L182 T183 R188 L189 L190V175-Q186 HydrophobicContact CG1-CB 4.33Å; V175-Q186 HydrophobicContact CG1-CG 4.49Å; V175-Q186 VanDerWaalsContact O-CD 3.31Å; V175-Q186 WeakPolarHBondContact O-CG 3.38Å; V175-Q186 PolarHBondContact O-NE2 2.95Å; L182-Q186 HydrophobicContact CD2-CB 3.96Å; T183-Q186 PolarHBondContact O-N 2.89Å; T183-Q186 PolarHBondContact OG1-N 2.85Å; Q186-R188 VanDerWaalsContact C-N 3.28Å; Q186-R188 PolarHBondContact O-N 2.94Å; Q186-L189 WeakPolarHBondContact O-CB 3.41Å; Q186-L189 PolarHBondContact O-N 3.12Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; Q186-L190 WeakPolarHBondContact O-CG 3.2Å; Q186-L190 PolarHBondContact O-N 3.26Å
187A95Very high94.4Very high8 Ų859.8 Ų59.87%0.06632%0.316CS..Hα-helixtrans-60.5-37.7177.100000112.3T183 K191T183-A187 WeakPolarHBondContact O-CB 3.35Å; T183-A187 PolarHBondContact O-N 3.32Å; A187-K191 PolarHBondContact O-N 3.29Å; A187-K191 VanDerWaalsContact O-N 3.09Å
188R94.8Very high94.2Very high115 Ų11554.3 Ų54.343%0.43429%0.292SS..Hα-helixtrans-69.4-37.7175.6-174.2166.5174.3-170.25.3111.9L156 P184 E185 Q186 L192L156-R188 HydrophobicContact CD1-CB 4.41Å; L156-R188 HydrophobicContact CD1-CG 3.9Å; L156-R188 HydrophobicContact CD2-CB 4.23Å; L156-R188 HydrophobicContact CD2-CG 4.18Å; P184-R188 VanDerWaalsContact O-CB 3.3Å; P184-R188 WeakPolarHBondContact O-CB 3.46Å; P184-R188 PolarHBondContact O-N 3.36Å; P184-R188 VanDerWaalsContact O-N 3.09Å; E185-R188 PolarHBondContact O-N 2.85Å; Q186-R188 VanDerWaalsContact C-N 3.28Å; Q186-R188 PolarHBondContact O-N 2.94Å; R188-L192 HydrophobicContact CG-CD1 4.34Å; R188-L192 VanDerWaalsContact O-CG 3.29Å; R188-L192 WeakPolarHBondContact O-CG 3.35Å; R188-L192 PolarHBondContact O-N 2.92Å
189L95Very high93.9Very high1 Ų150.3 Ų50.31%0.00527%0.274CS..Hα-helixtrans-61.4-53.5172.5-73.1176.2000110.7L153 L156 L158 Y173 V175 E185 Q186 K191 L192 F193L153-L189 HydrophobicContact CD2-CD2 4.35Å; L156-L189 HydrophobicContact CB-CD1 4.44Å; L156-L189 HydrophobicContact CB-CD2 3.85Å; L156-L189 HydrophobicContact CB-CG 4.05Å; L156-L189 HydrophobicContact CD1-CD2 3.85Å; L156-L189 HydrophobicContact CD1-CG 4.32Å; L158-L189 HydrophobicContact CD1-CD2 3.42Å; L158-L189 VanDerWaalsContact CD1-CD2 3.42Å; L158-L189 HydrophobicContact CD2-CD1 4.13Å; L158-L189 HydrophobicContact CD2-CD2 4.44Å; L158-L189 HydrophobicContact CG-CD1 4.05Å; L158-L189 HydrophobicContact CG-CD2 3.74Å; Y173-L189 HydrophobicContact CE1-CD1 4.35Å; V175-L189 HydrophobicContact CG1-CB 4.28Å; E185-L189 WeakPolarHBondContact O-CG 3.24Å; E185-L189 PolarHBondContact O-N 2.96Å; Q186-L189 WeakPolarHBondContact O-CB 3.41Å; Q186-L189 PolarHBondContact O-N 3.12Å; Q186-L189 VanDerWaalsContact O-N 3.12Å; L189-K191 PolarHBondContact O-N 2.76Å; L189-L192 WeakPolarHBondContact O-CA 3.35Å; L189-L192 WeakPolarHBondContact O-CB 3.3Å; L189-L192 PolarHBondContact O-N 3.03Å; L189-F193 HydrophobicContact CD2-CE2 4.38Å; L189-F193 VanDerWaalsContact O-CD2 3.31Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 PolarHBondContact O-N 3.2Å
190L94.9Very high93.8Very high1 Ų148.4 Ų48.41%0.00525%0.253CS..Hα-helixtrans-51.7-44.1177.9-68.2168.4000112V135 V175 L182 Q186 F193 A194 I195 M197V135-L190 HydrophobicContact CB-CD2 4.23Å; V135-L190 HydrophobicContact CG1-CD2 4.17Å; V135-L190 HydrophobicContact CG2-CD2 4.08Å; V175-L190 HydrophobicContact CG1-CD2 4.16Å; V175-L190 HydrophobicContact CG1-CG 4.18Å; L182-L190 HydrophobicContact CD1-CD1 3.72Å; L182-L190 HydrophobicContact CD2-CD1 3.71Å; L182-L190 HydrophobicContact CG-CD1 4.38Å; Q186-L190 WeakPolarHBondContact O-CG 3.2Å; Q186-L190 PolarHBondContact O-N 3.26Å; L190-F193 CarbonylContact O-C 3.54Å; L190-F193 PolarHBondContact O-N 3.24Å; L190-A194 PolarHBondContact O-N 3.38Å; L190-A194 VanDerWaalsContact O-N 3.14Å; L190-I195 HydrophobicContact CD2-CB 4.11Å; L190-I195 HydrophobicContact CD2-CD1 4.22Å; L190-I195 HydrophobicContact CD2-CG2 4.14Å; L190-I195 PolarHBondContact O-N 3.28Å; L190-M197 HydrophobicContact CD1-CE 4.45Å; L190-M197 HydrophobicContact CD1-SD 3.46Å; L190-M197 WeakPolarHBondContact CD1-SD 3.48Å; L190-M197 HydrophobicContact CD2-CE 3.72Å; L190-M197 HydrophobicContact CD2-SD 3.75Å; L190-M197 HydrophobicContact CG-SD 4.2Å
191K94.4Very high93.6Very high130 Ų13047.3 Ų47.357%0.56525%0.245SC*.Hα-helixtrans-63.3-42.1175-173.8175.8-178.1-178.20113.6Y124 A187 L189 F193 A194Y124-K191 HydrophobicContact CD1-CB 4.37Å; Y124-K191 HydrophobicContact CD1-CG 4.33Å; Y124-K191 HydrophobicContact CD2-CD 4.44Å; Y124-K191 HydrophobicContact CD2-CG 4.01Å; Y124-K191 HydrophobicContact CE2-CG 4.41Å; Y124-K191 HydrophobicContact CG-CB 4.21Å; Y124-K191 HydrophobicContact CG-CG 3.93Å; A187-K191 PolarHBondContact O-N 3.29Å; A187-K191 VanDerWaalsContact O-N 3.09Å; L189-K191 PolarHBondContact O-N 2.76Å; K191-F193 VanDerWaalsContact C-N 3.3Å; K191-F193 PolarHBondContact O-N 3.19Å; K191-A194 PolarHBondContact O-N 3.49Å; K191-A194 VanDerWaalsContact O-N 3.16Å
192L93.4Very high93.4Very high47 Ų4743 Ų4325%0.24622%0.219CC..Hα-helixtrans-65.8-34.3178.5-74.2169.4000112.1F145 M149 L153 L156 R188 L189 A194F145-L192 HydrophobicContact CE1-CB 4.03Å; F145-L192 WeakPolarHBondContact CE1-O 3.41Å; F145-L192 HydrophobicContact CZ-CB 4.03Å; F145-L192 WeakPolarHBondContact CZ-O 3.27Å; M149-L192 HydrophobicContact CE-CD2 4.21Å; M149-L192 HydrophobicContact SD-CD2 4.38Å; L153-L192 HydrophobicContact CD2-CD1 3.94Å; L156-L192 HydrophobicContact CD1-CD1 3.67Å; R188-L192 HydrophobicContact CG-CD1 4.34Å; R188-L192 VanDerWaalsContact O-CG 3.29Å; R188-L192 WeakPolarHBondContact O-CG 3.35Å; R188-L192 PolarHBondContact O-N 2.92Å; L189-L192 WeakPolarHBondContact O-CA 3.35Å; L189-L192 WeakPolarHBondContact O-CB 3.3Å; L189-L192 PolarHBondContact O-N 3.03Å; L192-A194 PolarHBondContact O-N 3.47Å
193F93.5Very high93.3Very high37 Ų3746.1 Ų46.116%0.16223%0.234CC..THydrogen-bonded Turntrans-84.86.5175-75.8-92.4000113.4L137 L142 Q144 F145 L158 L189 L190 K191 I195L137-F193 HydrophobicContact CD1-CD2 4.31Å; L137-F193 HydrophobicContact CD1-CE1 4Å; L137-F193 HydrophobicContact CD1-CE2 3.65Å; L137-F193 HydrophobicContact CD1-CZ 3.45Å; L137-F193 VanDerWaalsContact CD1-CZ 3.45Å; L137-F193 HydrophobicContact CD2-CD1 3.77Å; L137-F193 HydrophobicContact CD2-CE1 3.64Å; L137-F193 HydrophobicContact CD2-CE2 4.45Å; L137-F193 HydrophobicContact CD2-CG 4.22Å; L137-F193 HydrophobicContact CD2-CZ 4Å; L137-F193 HydrophobicContact CG-CE1 4.44Å; L137-F193 HydrophobicContact CG-CZ 4.35Å; L142-F193 HydrophobicContact CD1-CZ 4.08Å; L142-F193 HydrophobicContact CD2-CE1 4Å; L142-F193 HydrophobicContact CD2-CZ 4.26Å; Q144-F193 VanDerWaalsContact NE2-CE1 3.33Å; F145-F193 HydrophobicContact CE2-CD1 4.3Å; F145-F193 HydrophobicContact CE2-CD2 4.36Å; F145-F193 AromaticContact CE2-CE1 3.78Å; F145-F193 HydrophobicContact CE2-CE1 3.78Å; F145-F193 AromaticContact CE2-CE2 3.83Å; F145-F193 HydrophobicContact CE2-CE2 3.83Å; F145-F193 AromaticContact CE2-CZ 3.53Å; F145-F193 HydrophobicContact CE2-CZ 3.53Å; F145-F193 HydrophobicContact CZ-CD1 4.29Å; F145-F193 HydrophobicContact CZ-CD2 4.06Å; F145-F193 HydrophobicContact CZ-CE1 4.22Å; F145-F193 AromaticContact CZ-CE2 3.96Å; F145-F193 HydrophobicContact CZ-CE2 3.96Å; F145-F193 HydrophobicContact CZ-CG 4.23Å; F145-F193 HydrophobicContact CZ-CZ 4.05Å; L158-F193 HydrophobicContact CD1-CE2 4.06Å; L158-F193 HydrophobicContact CD1-CZ 4.34Å; L189-F193 HydrophobicContact CD2-CE2 4.38Å; L189-F193 VanDerWaalsContact O-CD2 3.31Å; L189-F193 WeakPolarHBondContact O-CD2 3.43Å; L189-F193 PolarHBondContact O-N 3.2Å; L190-F193 CarbonylContact O-C 3.54Å; L190-F193 PolarHBondContact O-N 3.24Å; K191-F193 VanDerWaalsContact C-N 3.3Å; K191-F193 PolarHBondContact O-N 3.19Å; F193-I195 HydrophobicContact CB-CD1 3.97Å; F193-I195 HydrophobicContact CB-CG1 4Å; F193-I195 PolarHBondContact O-N 2.93Å
194A93.7Very high93.1Very high65 Ų6544.4 Ų44.454%0.53722%0.222SC..THydrogen-bonded Turntrans55.634.3-17900000114.1Y124 L190 K191 L192Y124-A194 HydrophobicContact CE1-CB 4.49Å; L190-A194 PolarHBondContact O-N 3.38Å; L190-A194 VanDerWaalsContact O-N 3.14Å; K191-A194 PolarHBondContact O-N 3.49Å; K191-A194 VanDerWaalsContact O-N 3.16Å; L192-A194 PolarHBondContact O-N 3.47Å
195I93.9Very high93Very high36 Ų3643.1 Ų43.119%0.18521%0.208CC..  trans-95112177.9-54.9175.6000109.4Y124 M133 V135 L190 F193 M197Y124-I195 WeakPolarHBondContact CD1-O 3.45Å; M133-I195 HydrophobicContact CE-CG2 3.42Å; M133-I195 VanDerWaalsContact CE-CG2 3.42Å; V135-I195 HydrophobicContact CG1-CD1 3.7Å; V135-I195 HydrophobicContact CG2-CD1 4.11Å; V135-I195 HydrophobicContact CG2-CG2 4.27Å; L190-I195 HydrophobicContact CD2-CB 4.11Å; L190-I195 HydrophobicContact CD2-CD1 4.22Å; L190-I195 HydrophobicContact CD2-CG2 4.14Å; L190-I195 PolarHBondContact O-N 3.28Å; F193-I195 HydrophobicContact CB-CD1 3.97Å; F193-I195 HydrophobicContact CB-CG1 4Å; F193-I195 PolarHBondContact O-N 2.93Å; I195-M197 HydrophobicContact CG2-CE 4.03Å; I195-M197 HydrophobicContact CG2-CG 4.12Å
196E93.4Very high92.9Very high83 Ų8338.9 Ų38.939%0.38819%0.188SC..  trans-87.7130.8177.4-64.4179.2178.500110.2T122 D123 Y124T122-E196 WeakPolarHBondContact CB-OE2 3.29Å; T122-E196 PolarHBondContact OG1-OE2 3.43Å; D123-E196 WeakPolarHBondContact O-CA 3.48Å; D123-E196 WeakPolarHBondContact O-CB 3.31Å; Y124-E196 HydrophobicContact CD1-CG 3.81Å; Y124-E196 HydrophobicContact CE1-CG 3.55Å; Y124-E196 HydrophobicContact CG-CG 4.49Å
197M89.9Confident92.8Very high3 Ų338.3 Ų38.32%0.01519%0.186CC..  trans-143.510.6-173.5-75-17716600112.7D123 A125 Q132 M133 V135 L190 I195D123-M197 PolarHBondContact O-N 3.2Å; A125-M197 HydrophobicContact CB-CB 3.86Å; Q132-M197 VanDerWaalsContact CD-O 3.27Å; Q132-M197 WeakPolarHBondContact CG-O 3.42Å; Q132-M197 VanDerWaalsContact OE1-C 3.26Å; Q132-M197 PolarHBondContact OE1-O 2.85Å; Q132-M197 VanDerWaalsContact OE1-O 3.09Å; M133-M197 HydrophobicContact CE-CE 3.79Å; M133-M197 HydrophobicContact CE-CG 4.44Å; M133-M197 HydrophobicContact CG-CE 3.57Å; M133-M197 WeakPolarHBondContact O-CE 3.27Å; V135-M197 HydrophobicContact CB-CE 4.12Å; V135-M197 HydrophobicContact CG2-CE 3.11Å; L190-M197 HydrophobicContact CD1-CE 4.45Å; L190-M197 HydrophobicContact CD1-SD 3.46Å; L190-M197 WeakPolarHBondContact CD1-SD 3.48Å; L190-M197 HydrophobicContact CD2-CE 3.72Å; L190-M197 HydrophobicContact CD2-SD 3.75Å; L190-M197 HydrophobicContact CG-SD 4.2Å; I195-M197 HydrophobicContact CG2-CE 4.03Å; I195-M197 HydrophobicContact CG2-CG 4.12Å
198A91.1Very high92.8Very high4 Ų438 Ų383%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-122.2120.8175.300000108.3N47 T122 D123 A125N47-A198 HydrophobicContact CB-CB 4.13Å; T122-A198 CarbonylContact C-O 3.44Å; T122-A198 WeakPolarHBondContact CA-O 3.49Å; D123-A198 PolarHBondContact N-O 2.81Å; D123-A198 PolarHBondContact O-N 2.85Å; A125-A198 HydrophobicContact CB-CB 4.37Å
199E90.4Very high92.8Very high54 Ų5434 Ų3425%0.25217%0.17SC..EExtended strand (participates in β ladder)trans-89.8120.5170.6-175.7171.39100108.6N47 K120N47-E199 WeakPolarHBondContact CB-O 3.37Å; N47-E199 PolarHBondContact ND2-O 2.88Å; K120-E199 HydrophobicContact CB-CG 4.38Å; K120-E199 WeakPolarHBondContact CE-OE1 3.26Å; K120-E199 IonicContact NZ-OE1 3.4Å; K120-E199 PolarHBondContact NZ-OE1 3.22Å; K120-E199 IonicContact NZ-OE2 3.85Å
200F90.7Very high92.5Very high1 Ų135.3 Ų35.30%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-75119.7163.8174-85.8000108.1V45 M48 K52 I56 F119 E121 V202V45-F200 HydrophobicContact CG1-CD2 3.91Å; V45-F200 HydrophobicContact CG1-CE2 3.26Å; V45-F200 HydrophobicContact CG1-CZ 3.75Å; M48-F200 HydrophobicContact SD-CE2 3.87Å; K52-F200 HydrophobicContact CB-CD1 4.12Å; K52-F200 HydrophobicContact CB-CD2 3.93Å; K52-F200 HydrophobicContact CB-CE1 4.11Å; K52-F200 HydrophobicContact CB-CE2 3.86Å; K52-F200 HydrophobicContact CB-CG 4.05Å; K52-F200 HydrophobicContact CB-CZ 3.98Å; K52-F200 HydrophobicContact CG-CD2 4.26Å; K52-F200 HydrophobicContact CG-CG 4.25Å; I56-F200 HydrophobicContact CD1-CE1 3.67Å; I56-F200 HydrophobicContact CD1-CZ 3.81Å; F119-F200 HydrophobicContact CD1-CD1 4.29Å; F119-F200 AromaticContact CD1-CE1 3.97Å; F119-F200 HydrophobicContact CD1-CE1 3.97Å; F119-F200 AromaticContact CE1-CD1 3.96Å; F119-F200 HydrophobicContact CE1-CD1 3.96Å; F119-F200 AromaticContact CE1-CE1 3.67Å; F119-F200 HydrophobicContact CE1-CE1 3.67Å; E121-F200 PolarHBondContact N-O 3.44Å; E121-F200 WeakPolarHBondContact O-CB 3.44Å; E121-F200 PolarHBondContact O-N 3.09Å; F200-V202 HydrophobicContact CE1-CG2 3.66Å; F200-V202 HydrophobicContact CZ-CG2 3.71Å
201K90.3Very high92.1Very high51 Ų5141.7 Ų41.722%0.22221%0.209CC..EExtended strand (participates in β ladder)trans-137.3139.7179.8-172.8-176.1175.9-158.90110V45 E46 Q203V45-K201 WeakPolarHBondContact CA-O 3.24Å; E46-K201 PolarHBondContact N-O 2.83Å; E46-K201 PolarHBondContact O-N 3.36Å; K201-Q203 HydrophobicContact CD-CG 4.2Å; K201-Q203 HydrophobicContact CG-CG 4.29Å
202V91.5Very high91.8Very high1 Ų139.4 Ų39.41%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-108.5128.4172.4-178.90000108.3F43 S44 V45 I56 F116 F200F43-V202 HydrophobicContact CB-CG1 3.75Å; F43-V202 HydrophobicContact CD2-CG1 3.8Å; F43-V202 HydrophobicContact CG-CG1 4.04Å; S44-V202 WeakPolarHBondContact O-CA 3.5Å; V45-V202 HydrophobicContact CG2-CG2 4.37Å; I56-V202 HydrophobicContact CD1-CG2 3.88Å; F116-V202 HydrophobicContact CB-CB 4.41Å; F116-V202 HydrophobicContact CB-CG1 4.47Å; F116-V202 HydrophobicContact CD1-CB 3.62Å; F116-V202 HydrophobicContact CD1-CG1 3.58Å; F116-V202 HydrophobicContact CD1-CG2 4.15Å; F116-V202 HydrophobicContact CE1-CB 4.27Å; F116-V202 HydrophobicContact CE1-CG1 3.97Å; F116-V202 HydrophobicContact CE1-CG2 4.44Å; F116-V202 HydrophobicContact CG-CB 4.28Å; F116-V202 HydrophobicContact CG-CG1 4.04Å; F200-V202 HydrophobicContact CE1-CG2 3.66Å; F200-V202 HydrophobicContact CZ-CG2 3.71Å
203Q91.8Very high91.4Very high69 Ų6937.6 Ų37.632%0.32220%0.199SC..EExtended strand (participates in β ladder)trans-117.9132.7177.4-52.9-168.45.900109.9F43 S44 E46 K201F43-Q203 CarbonylContact C-O 3.57Å; F43-Q203 WeakPolarHBondContact CA-O 3.44Å; S44-Q203 PolarHBondContact N-O 2.95Å; S44-Q203 PolarHBondContact O-N 3.3Å; E46-Q203 PolarHBondContact OE1-NE2 3.04Å; K201-Q203 HydrophobicContact CD-CG 4.2Å; K201-Q203 HydrophobicContact CG-CG 4.29Å
204I92.9Very high91.2Very high20 Ų2042.2 Ų42.210%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-86.5118.9176.9-55.7-55.9000109F41 F43 V112 F116 L218F41-I204 HydrophobicContact CB-CG2 4.34Å; F41-I204 HydrophobicContact CD1-CG2 3.75Å; F41-I204 HydrophobicContact CG-CG2 4.47Å; F43-I204 HydrophobicContact CB-CD1 3.76Å; V112-I204 HydrophobicContact CG1-CD1 4.03Å; V112-I204 HydrophobicContact CG1-CG1 4.09Å; F116-I204 HydrophobicContact CD2-CD1 3.7Å; F116-I204 HydrophobicContact CD2-CG1 4.19Å; F116-I204 HydrophobicContact CE2-CD1 4.19Å; F116-I204 HydrophobicContact CG-CD1 4.26Å; I204-L218 HydrophobicContact CG2-CD1 3.72Å
205K92.3Very high91Very high55 Ų5541.7 Ų41.724%0.23921%0.207CC..EExtended strand (participates in β ladder)trans-89-43.4-177.7-70.3-167.8164.7-1770113.2I42 S44 Y95 V100 L218 A219I42-K205 HydrophobicContact CG2-CB 4.33Å; I42-K205 PolarHBondContact O-N 3.11Å; S44-K205 WeakPolarHBondContact OG-CE 3.45Å; Y95-K205 HydrophobicContact CD1-CB 4.35Å; V100-K205 HydrophobicContact CG1-CD 4.23Å; K205-L218 CarbonylContact O-C 3.54Å; K205-L218 WeakPolarHBondContact O-CA 3.48Å; K205-L218 PolarHBondContact O-N 2.99Å; K205-A219 HydrophobicContact CB-CB 4.46Å; K205-A219 PolarHBondContact O-N 3.45Å
206C93.1Very high90.9Very high0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-155.9165.1179.565.40000112F41 I42 Y95 F215 E216F41-C206 VanDerWaalsContact CA-O 3.32Å; F41-C206 WeakPolarHBondContact CA-O 3.39Å; I42-C206 VanDerWaalsContact CB-SG 3.59Å; I42-C206 WeakPolarHBondContact CG1-SG 3.3Å; I42-C206 PolarHBondContact N-O 3.19Å; Y95-C206 HydrophobicContact CD2-CB 4.44Å; Y95-C206 HydrophobicContact CG-CB 4.4Å; C206-F215 HydrophobicContact CB-CE2 3.62Å; C206-F215 HydrophobicContact CB-CZ 3.73Å; C206-E216 CarbonylContact C-O 3.55Å; C206-E216 VanDerWaalsContact CA-O 3.31Å; C206-E216 WeakPolarHBondContact CA-O 3.43Å; C206-E216 WeakPolarHBondContact CB-O 3.37Å
207M93.8Very high90.7Very high23 Ų2342.5 Ų42.511%0.11322%0.216CC..EExtended strand (participates in β ladder)trans-130.1145.1178.7-179.3-173-173.800110N39 L40 F41 K109 F215 E216 L218N39-M207 HydrophobicContact CB-CE 4.01Å; N39-M207 VanDerWaalsContact CG-CE 3.46Å; N39-M207 WeakPolarHBondContact OD1-CE 3.44Å; L40-M207 CarbonylContact O-C 3.3Å; L40-M207 WeakPolarHBondContact O-CA 3.4Å; F41-M207 HydrophobicContact CD1-CB 3.77Å; F41-M207 HydrophobicContact CD1-CG 3.88Å; F41-M207 HydrophobicContact CE1-CB 3.66Å; F41-M207 HydrophobicContact CE1-CE 4.17Å; F41-M207 HydrophobicContact CE1-CG 3.41Å; F41-M207 VanDerWaalsContact CE1-CG 3.41Å; F41-M207 HydrophobicContact CE1-SD 3.63Å; F41-M207 HydrophobicContact CE2-CE 4.5Å; F41-M207 HydrophobicContact CZ-CE 3.7Å; F41-M207 HydrophobicContact CZ-CG 3.79Å; F41-M207 HydrophobicContact CZ-SD 3.81Å; K109-M207 HydrophobicContact CB-CE 4.21Å; K109-M207 HydrophobicContact CB-SD 3.78Å; K109-M207 HydrophobicContact CD-SD 4.14Å; K109-M207 HydrophobicContact CG-SD 4.11Å; M207-F215 WeakPolarHBondContact O-CA 3.48Å; M207-E216 PolarHBondContact N-O 3.21Å; M207-E216 PolarHBondContact O-N 2.99Å; M207-L218 HydrophobicContact CB-CD1 4.03Å
208W94.6Very high90.2Very high3 Ų344.1 Ų44.11%0.01122%0.224CC..EExtended strand (participates in β ladder)trans-135.1139.9167.1173.189.2000110.5V34 N39 L40 K86 D87 L89 V92 S210 E214V34-W208 HydrophobicContact CG1-CH2 4.07Å; V34-W208 HydrophobicContact CG1-CZ3 4.13Å; N39-W208 WeakPolarHBondContact CA-O 3.42Å; L40-W208 HydrophobicContact CB-CE3 3.89Å; L40-W208 HydrophobicContact CD1-CE3 4.4Å; L40-W208 PolarHBondContact N-O 2.88Å; L40-W208 PolarHBondContact O-N 3.5Å; K86-W208 HydrophobicContact CB-CH2 4.03Å; K86-W208 HydrophobicContact CB-CZ2 3.77Å; K86-W208 HydrophobicContact CD-CH2 3.64Å; K86-W208 HydrophobicContact CD-CZ2 4.15Å; K86-W208 HydrophobicContact CG-CH2 4.47Å; D87-W208 PolarHBondContact O-NE1 3.19Å; L89-W208 HydrophobicContact CD1-CD2 3.6Å; L89-W208 HydrophobicContact CD1-CE3 3.74Å; L89-W208 HydrophobicContact CD1-CG 4.1Å; L89-W208 HydrophobicContact CD1-CH2 4.17Å; L89-W208 HydrophobicContact CD1-CZ2 4.07Å; L89-W208 HydrophobicContact CD1-CZ3 4.02Å; V92-W208 HydrophobicContact CG2-CB 3.42Å; V92-W208 VanDerWaalsContact CG2-CB 3.42Å; V92-W208 HydrophobicContact CG2-CG 3.94Å; W208-S210 VanDerWaalsContact CZ3-CA 3.49Å; W208-S210 VanDerWaalsContact CZ3-CB 3.5Å; W208-E214 VanDerWaalsContact CA-O 3.32Å; W208-E214 WeakPolarHBondContact CA-O 3.49Å
209N93.2Very high89Confident29 Ų2945.5 Ų45.516%0.15524%0.235CC..EExtended strand (participates in β ladder)trans-108.5130.1178.3-175.2-69000111.1R38 N39 E211 T212 G213 E214R38-N209 WeakPolarHBondContact O-CA 3.46Å; N39-N209 PolarHBondContact OD1-ND2 3.04Å; N209-E211 WeakPolarHBondContact OD1-CA 3.32Å; N209-E211 WeakPolarHBondContact OD1-CB 3.41Å; N209-E211 PolarHBondContact OD1-N 3.37Å; N209-T212 PolarHBondContact OD1-N 3.47Å; N209-T212 PolarHBondContact OD1-OG1 2.88Å; N209-G213 VanDerWaalsContact O-CA 3.22Å; N209-G213 WeakPolarHBondContact O-CA 3.33Å; N209-G213 PolarHBondContact O-N 2.63Å; N209-E214 PolarHBondContact N-O 3.31Å
210S89.8Confident87.2Confident29 Ų2946.2 Ų46.220%0.20326%0.257CS..THydrogen-bonded Turntrans-75.8-25.6-175.4-164.20000114V34 R38 K86 W208V34-S210 PolarHBondContact O-OG 3.19Å; V34-S210 VanDerWaalsContact O-OG 3.08Å; R38-S210 WeakPolarHBondContact O-CB 3.48Å; R38-S210 PolarHBondContact O-N 3.35Å; K86-S210 PolarHBondContact NZ-OG 3.08Å; W208-S210 VanDerWaalsContact CZ3-CA 3.49Å; W208-S210 VanDerWaalsContact CZ3-CB 3.5Å
211E87.1Confident84.5Confident136 Ų13655.4 Ų55.464%0.63630%0.3SS*.THydrogen-bonded Turntrans-85.5-41.2-179.1-63.7176.4176.400111.4R38 N209R38-E211 WeakPolarHBondContact CD-OE1 3.33Å; R38-E211 WeakPolarHBondContact CG-OE1 3.34Å; R38-E211 IonicContact CZ-OE1 2.81Å; R38-E211 IonicContact NE-OE1 2.59Å; R38-E211 PolarHBondContact NE-OE1 2.92Å; N209-E211 WeakPolarHBondContact OD1-CA 3.32Å; N209-E211 WeakPolarHBondContact OD1-CB 3.41Å; N209-E211 PolarHBondContact OD1-N 3.37Å
212T87.4Confident82Confident81 Ų8161 Ų6150%0.49733%0.327SS..THydrogen-bonded Turntrans-94.7-18.7-179.1640000113.8N209 E214N209-T212 PolarHBondContact OD1-N 3.47Å; N209-T212 PolarHBondContact OD1-OG1 2.88Å; T212-E214 PolarHBondContact O-N 2.95Å; T212-E214 WeakPolarHBondContact OG1-CB 3.5Å; T212-E214 WeakPolarHBondContact OG1-CG 3.46Å; T212-E214 PolarHBondContact OG1-N 2.68Å; T212-E214 PolarHBondContact OG1-OE2 3.29Å
213G84.7Confident79.4Confident9 Ų968.7 Ų68.79%0.09336%0.363CS..  trans68.711-171.400000113.2N88 N209N88-G213 WeakPolarHBondContact CB-O 3.48Å; N88-G213 PolarHBondContact ND2-O 2.77Å; N209-G213 VanDerWaalsContact O-CA 3.22Å; N209-G213 WeakPolarHBondContact O-CA 3.33Å; N209-G213 PolarHBondContact O-N 2.63Å
214E89.2Confident76.8Confident134 Ų13469 Ų6963%0.62637%0.371SS*.  trans-76.4136.8-178-70.6173.1167.200110.9W208 N209 T212W208-E214 VanDerWaalsContact CA-O 3.32Å; W208-E214 WeakPolarHBondContact CA-O 3.49Å; N209-E214 PolarHBondContact N-O 3.31Å; T212-E214 PolarHBondContact O-N 2.95Å; T212-E214 WeakPolarHBondContact OG1-CB 3.5Å; T212-E214 WeakPolarHBondContact OG1-CG 3.46Å; T212-E214 PolarHBondContact OG1-N 2.68Å; T212-E214 PolarHBondContact OG1-OE2 3.29Å
215F90.7Very high74.3Confident54 Ų5473.4 Ų73.424%0.23740%0.399CS..EExtended strand (participates in β ladder)trans-113.7131175.3170.9-94.2000109.2K91 V92 Y95 C206 M207K91-F215 HydrophobicContact CB-CB 4.46Å; K91-F215 HydrophobicContact CB-CD1 4.06Å; K91-F215 HydrophobicContact CB-CD2 3.91Å; K91-F215 HydrophobicContact CB-CE1 4.35Å; K91-F215 HydrophobicContact CB-CE2 4.19Å; K91-F215 HydrophobicContact CB-CG 3.84Å; K91-F215 HydrophobicContact CB-CZ 4.42Å; K91-F215 HydrophobicContact CD-CB 4.11Å; K91-F215 HydrophobicContact CD-CD1 4.08Å; K91-F215 HydrophobicContact CD-CG 4.12Å; V92-F215 HydrophobicContact CG2-CD2 3.75Å; V92-F215 HydrophobicContact CG2-CE2 4.01Å; Y95-F215 HydrophobicContact CD2-CE2 4.36Å; Y95-F215 AromaticContact CD2-CZ 3.97Å; Y95-F215 HydrophobicContact CD2-CZ 3.97Å; Y95-F215 HydrophobicContact CE2-CE1 4.16Å; Y95-F215 HydrophobicContact CE2-CE2 4.18Å; Y95-F215 AromaticContact CE2-CZ 3.36Å; Y95-F215 HydrophobicContact CE2-CZ 3.36Å; Y95-F215 AromaticContact CZ-CZ 3.93Å; C206-F215 HydrophobicContact CB-CE2 3.62Å; C206-F215 HydrophobicContact CB-CZ 3.73Å; M207-F215 WeakPolarHBondContact O-CA 3.48Å
216E91.2Very high71.5Confident85 Ų8579.6 Ų79.640%0.39743%0.428SS..EExtended strand (participates in β ladder)trans-126.9126.7176.5-164.2-175.8177.400110.5K109 C206 M207 L218K109-E216 WeakPolarHBondContact CD-OE2 3.4Å; K109-E216 IonicContact NZ-OE1 3.91Å; K109-E216 PolarHBondContact NZ-OE1 2.86Å; K109-E216 IonicContact NZ-OE2 2.76Å; K109-E216 PolarHBondContact NZ-OE2 3.44Å; C206-E216 CarbonylContact C-O 3.55Å; C206-E216 VanDerWaalsContact CA-O 3.31Å; C206-E216 WeakPolarHBondContact CA-O 3.43Å; C206-E216 WeakPolarHBondContact CB-O 3.37Å; M207-E216 PolarHBondContact N-O 3.21Å; M207-E216 PolarHBondContact O-N 2.99Å; E216-L218 HydrophobicContact CG-CD2 4.02Å
217S88.2Confident68.9Low52 Ų5287 Ų8736%0.36446%0.463SS..EExtended strand (participates in β ladder)trans-85.2128.5170.4-172.90000109.4Y95 A219Y95-S217 PolarHBondContact OH-OG 3.19Å; S217-A219 PolarHBondContact OG-O 2.96Å
218L81.3Confident66Low36 Ų3695 Ų9519%0.18850%0.497CS..  trans-113.4-17.4-177.4-59.5175.8000112.5K109 I204 K205 M207 E216 G220K109-L218 HydrophobicContact CD-CD1 4.42Å; K109-L218 HydrophobicContact CD-CD2 4.17Å; K109-L218 HydrophobicContact CG-CD1 4.35Å; K109-L218 VanDerWaalsContact NZ-CD2 3.27Å; I204-L218 HydrophobicContact CG2-CD1 3.72Å; K205-L218 CarbonylContact O-C 3.54Å; K205-L218 WeakPolarHBondContact O-CA 3.48Å; K205-L218 PolarHBondContact O-N 2.99Å; M207-L218 HydrophobicContact CB-CD1 4.03Å; E216-L218 HydrophobicContact CG-CD2 4.02Å; L218-G220 PolarHBondContact O-N 3.47Å
219A65.9Low63.1Low33 Ų33103.4 Ų103.427%0.27354%0.537SS..SBendtrans-68.2120.4163.500000108.3K205 S217 E221K205-A219 HydrophobicContact CB-CB 4.46Å; K205-A219 PolarHBondContact O-N 3.45Å; S217-A219 PolarHBondContact OG-O 2.96Å; A219-E221 PolarHBondContact O-N 2.99Å
220G51.1Low60.2Low69 Ų69108.4 Ų108.471%0.71156%0.563SS**  trans-60.6117.4164.700000107.9L218 E222L218-G220 PolarHBondContact O-N 3.47Å; G220-E222 VanDerWaalsContact C-N 3.26Å; G220-E222 PolarHBondContact O-N 3.16Å
221E34.9Very low57.7Low195 Ų195113 Ų11391%0.91159%0.585SS**SBendtrans8.959169.9-61.3-179.6172.300117.6A219A219-E221 PolarHBondContact O-N 2.99Å
222E37.7Very low55.4Low167 Ų167112.9 Ų112.978%0.7859%0.589SS**  trans-95.390150.7-74.6-171.7174.700105.5G220G220-E222 VanDerWaalsContact C-N 3.26Å; G220-E222 PolarHBondContact O-N 3.16Å
223E37.1Very low53.2Low164 Ų164115.5 Ų115.577%0.76660%0.6SS**  trans-41.9137.5162.8-80.9-92.9151.800108.8V225E223-V225 PolarHBondContact O-N 3.32Å
224P37.4Very low51.3Low76 Ų76123.7 Ų123.749%0.49464%0.636SS.*  trans-59.9105.9-179.725.4-32.2000108.9E226P224-E226 PolarHBondContact O-N 3.39Å
225V39Very low49Very low112 Ų112124.4 Ų124.468%0.67964%0.644SS**  trans-51.9125.6172.5-175.40000107.4E223 E227E223-V225 PolarHBondContact O-N 3.32Å; V225-E227 HydrophobicContact CG1-CG 4.49Å; V225-E227 PolarHBondContact O-N 3.16Å
226E33.9Very low46.7Very low184 Ų184129.3 Ų129.386%0.8667%0.673SS**  trans-6779.1170.7-73.4-164.6158.300108.9P224 K228P224-E226 PolarHBondContact O-N 3.39Å; E226-K228 PolarHBondContact O-N 3.09Å
227E38Very low44.2Very low155 Ų155129.6 Ų129.672%0.72469%0.69SS**  trans-72.7121.4159.8-72.8-174.1162.800107.6V225 E229V225-E227 HydrophobicContact CG1-CG 4.49Å; V225-E227 PolarHBondContact O-N 3.16Å; E227-E229 PolarHBondContact O-N 2.99Å
228K34.4Very low41.6Very low192 Ų192139.5 Ų139.584%0.83573%0.73SS**  trans-50.9138176.3-71-179.5177.51770109.3E226 D230E226-K228 PolarHBondContact O-N 3.09Å; K228-D230 PolarHBondContact O-N 3.29Å
229E32.9Very low39.6Very low180 Ų180144.7 Ų144.784%0.84176%0.757SS**  trans-56.2100.3171.1-65.2-176.7142.600108.8E227 D231E227-E229 PolarHBondContact O-N 2.99Å; E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 2.9Å
230D33.1Very low38.2Very low133 Ų133150.6 Ų150.671%0.71178%0.783SS**  trans-68101.3160.9-79.1-29.1000106.3K228 D232K228-D230 PolarHBondContact O-N 3.29Å; D230-D232 PolarHBondContact O-N 3.48Å
231D37.3Very low37.5Very low125 Ų125155.1 Ų155.167%0.66879%0.787SS**  trans-65.868.6167.3-116.7-11000108.8E229 D233E229-D231 VanDerWaalsContact C-N 3.31Å; E229-D231 PolarHBondContact O-N 2.9Å; D231-D233 PolarHBondContact O-N 3.41Å
232D37.9Very low37.6Very low135 Ų135152.8 Ų152.872%0.72278%0.78SS**  trans-77.256.8163.3-87.5-18.3000109.6D230D230-D232 PolarHBondContact O-N 3.48Å
233D42Very low37.6Very low135 Ų135151.9 Ų151.972%0.72278%0.78SS**  trans-10960.9159.3-86.4-25.6000108.2D231D231-D233 PolarHBondContact O-N 3.41Å
234E43.3Very low37.7Very low181 Ų181151.1 Ų151.185%0.84678%0.78SS**  trans-124.3133.3153.8-83-167.9158.700110.7
235D42Very low37.7Very low150 Ų150156.4 Ų156.480%0.80280%0.801SS**SBendtrans82.970.7172-63.9-18.5000119
236D41.9Very low37.6Very low157 Ų157159.8 Ų159.884%0.8481%0.81SS**  trans-143.743.8141.6-110.4-15.9000111.9
237A38.5Very low37.9Very low90 Ų90157.8 Ų157.874%0.74481%0.806SS**  trans-131.387.6162.800000110
238E33.2Very low37.9Very low261 Ų261158.1 Ų158.1100%1.2281%0.814SS**  trans159.90141.3-86.1-173.5-174.500112.1

Retrieved 238 of 238 residues in 102.3 ms (Link to these results)

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