Q9ASD0_ORYSJ Loading...

Os01g0712000 protein

AlphaFold DB , UniProt , Accession Q9ASD0, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 196 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
1M33.8Very low48Very low250 Ų250154.9 Ų154.9100%1.23284%0.841SS**  0118.30-139.578175.700106.4
2A56.9Low48.1Very low99 Ų99154 Ų15482%0.81884%0.835SS**  trans-85177-153.800000113.4
3P51.9Low48.1Very low132 Ų132149.1 Ų149.186%0.85782%0.819SS**  -144.5165.454.833.3-9.4000117.5
4A52Low47.9Very low93 Ų93154 Ų15477%0.76982%0.822SS**  trans-99.6142.9179.600000111.6
5K48.1Very low47.7Very low176 Ų176147.7 Ų147.777%0.76581%0.808SS**  trans39.7104.5133.2-114.9173.3-177.8-179.70119.2
6D49.4Very low47.7Very low144 Ų144146.6 Ų146.677%0.7781%0.807SS**  4094.4115.7-33.2-26.9000116.8
7H45.6Very low47.8Very low192 Ų192146 Ų14689%0.88981%0.808SS**  trans-114.3102.5156-102.8-71.6000108.1E9H7-E9 PolarHBondContact O-N 3.07Å
8E48Very low48Very low180 Ų180145.5 Ų145.584%0.84180%0.804SS**  trans-81100.8170.3-172.8164.3174.700107.4
9E48.7Very low48.5Very low183 Ų183144.3 Ų144.386%0.85580%0.8SS**  trans-94.597.8174.2-169.9167.9-167.500107.5H7 D11H7-E9 PolarHBondContact O-N 3.07Å; E9-D11 PolarHBondContact O-N 3.37Å
10T45.6Very low49.2Very low118 Ų118142.5 Ų142.572%0.72480%0.797SS**  trans-67.794.1168.445.30000108.5D12T10-D12 PolarHBondContact O-N 2.96Å
11D47.5Very low50.1Low137 Ų137144.7 Ų144.773%0.73380%0.798SS**  trans-66.694.1172-176.225.2000109.3E9 S13E9-D11 PolarHBondContact O-N 3.37Å; D11-S13 PolarHBondContact O-N 3.42Å
12D49.4Very low51.8Low144 Ų144135.7 Ų135.777%0.7776%0.759SS**  trans-73.966.2175.1-144.39.1000108.6T10 Y14T10-D12 PolarHBondContact O-N 2.96Å; D12-Y14 PolarHBondContact O-N 3.28Å
13S48.2Very low53.1Low90 Ų90135.9 Ų135.963%0.62975%0.749SS**  trans-78.661.9-179.9-164.30000110.8D11 G15D11-S13 PolarHBondContact O-N 3.42Å; S13-G15 VanDerWaalsContact C-N 3.28Å
14Y45.8Very low54.5Low218 Ų218136.1 Ų136.186%0.85574%0.743SS**  trans-102.651.4155.7-76.7-83.7000108.6D12 V16D12-Y14 PolarHBondContact O-N 3.28Å; Y14-V16 PolarHBondContact O-N 2.79Å
15G44.8Very low56.1Low60 Ų60133.9 Ų133.962%0.61973%0.729SS**  trans-79.395178.200000111.5S13S13-G15 VanDerWaalsContact C-N 3.28Å
16V47Very low57.9Low129 Ų129131.6 Ų131.678%0.78272%0.716SS**  trans60.187.4142-168.10000114.5Y14 D18Y14-V16 PolarHBondContact O-N 2.79Å; V16-D18 VanDerWaalsContact C-N 3.33Å; V16-D18 PolarHBondContact O-N 3.13Å
17V49.4Very low59.6Low137 Ų137130.8 Ų130.883%0.8371%0.706SS**  trans-53.2103.6153-113.30000107.3V19V17-V19 PolarHBondContact O-N 2.98Å
18D51.6Low61.6Low137 Ų137126.4 Ų126.473%0.73369%0.689SS**  trans-58.2100.9175-173.312.6000107.3V16 C20V16-D18 VanDerWaalsContact C-N 3.33Å; V16-D18 PolarHBondContact O-N 3.13Å; D18-C20 PolarHBondContact O-N 3.38Å
19V58.7Low63.5Low122 Ų122119.9 Ų119.974%0.73967%0.666SS**  trans-69.583.8176.2-179.50000105.8V17 K21V17-V19 PolarHBondContact O-N 2.98Å; V19-K21 PolarHBondContact O-N 3.3Å
20C61.9Low65.3Low108 Ų108114.3 Ų114.373%0.7364%0.641SS**  trans-47.8106.8178.3-130.80000108D18D18-C20 PolarHBondContact O-N 3.38Å
21K68.9Low67.3Low190 Ų190111.9 Ų111.983%0.82663%0.632SS**PPolyproline II helixtrans-56.9127.3-177.6-77.2174.6-179.5161.40108V19 T23V19-K21 PolarHBondContact O-N 3.3Å; K21-T23 PolarHBondContact O-N 2.98Å
22P68.6Low69.2Low61 Ų61111.5 Ų111.540%0.39663%0.63SS.*PPolyproline II helixtrans-58.4129.9-177.615.7-26.1000110.3Y26 K27P22-Y26 HydrophobicContact CB-CD1 3.35Å; P22-Y26 HydrophobicContact CB-CE1 3.93Å; P22-Y26 HydrophobicContact CB-CG 4.05Å; P22-Y26 HydrophobicContact CG-CD1 4.38Å; P22-K27 HydrophobicContact CB-CG 4.35Å; P22-K27 HydrophobicContact CG-CG 4.46Å
23T83.1Confident71.2Confident102 Ų102109.1 Ų109.163%0.62662%0.616SS**PPolyproline II helixtrans-58.6152.1178.761.10000110.2K21 G25 Y26 K27K21-T23 PolarHBondContact O-N 2.98Å; T23-G25 PolarHBondContact O-N 3.37Å; T23-G25 VanDerWaalsContact O-N 3.12Å; T23-Y26 WeakPolarHBondContact O-CB 3.22Å; T23-Y26 PolarHBondContact O-N 2.86Å; T23-Y26 PolarHBondContact OG1-N 3.08Å; T23-K27 PolarHBondContact O-N 2.82Å
24L82.6Confident73.3Confident137 Ų137108.4 Ų108.472%0.71761%0.605SS**Hα-helixtrans-52.3-38179.3-175.967.9000111.7K27 L28L24-K27 PolarHBondContact O-N 3.5Å; L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 WeakPolarHBondContact O-CG 3.11Å; L24-L28 PolarHBondContact O-N 3.05Å
25G86.1Confident75.5Confident47 Ų47101 Ų10149%0.48558%0.584SS.*Hα-helixtrans-61.5-41.6175.100000113.8T23 L28 A29T23-G25 PolarHBondContact O-N 3.37Å; T23-G25 VanDerWaalsContact O-N 3.12Å; G25-L28 PolarHBondContact O-N 2.63Å; G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 2.87Å
26Y85.9Confident77.7Confident127 Ų127104.1 Ų104.150%0.49858%0.58SS.*Hα-helixtrans-63.3-43.8175.2173.9-88.2000111.8P22 T23 L28 A29 M30P22-Y26 HydrophobicContact CB-CD1 3.35Å; P22-Y26 HydrophobicContact CB-CE1 3.93Å; P22-Y26 HydrophobicContact CB-CG 4.05Å; P22-Y26 HydrophobicContact CG-CD1 4.38Å; T23-Y26 WeakPolarHBondContact O-CB 3.22Å; T23-Y26 PolarHBondContact O-N 2.86Å; T23-Y26 PolarHBondContact OG1-N 3.08Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3.27Å; Y26-A29 PolarHBondContact O-N 3.28Å; Y26-M30 HydrophobicContact CD1-CG 4.06Å; Y26-M30 HydrophobicContact CD2-CG 4.34Å; Y26-M30 HydrophobicContact CE1-CG 3.62Å; Y26-M30 HydrophobicContact CE2-CG 3.9Å; Y26-M30 HydrophobicContact CE2-SD 4.2Å; Y26-M30 HydrophobicContact CG-CG 4.42Å; Y26-M30 WeakPolarHBondContact O-CG 3.31Å; Y26-M30 PolarHBondContact O-N 2.87Å
27K84.3Confident79.9Confident127 Ų127102.7 Ų102.755%0.55257%0.568SS**Hα-helixtrans-61.9-43.5178.7-65.6-172.7-175.1-177.30111.4P22 T23 L24 A31P22-K27 HydrophobicContact CB-CG 4.35Å; P22-K27 HydrophobicContact CG-CG 4.46Å; T23-K27 PolarHBondContact O-N 2.82Å; L24-K27 PolarHBondContact O-N 3.5Å; K27-A31 VanDerWaalsContact O-CB 3.23Å; K27-A31 WeakPolarHBondContact O-CB 3.22Å; K27-A31 PolarHBondContact O-N 3.49Å
28L87.8Confident82Confident101 Ų101102.9 Ų102.953%0.52955%0.554SS.*Hα-helixtrans-63.6-43.6175.5-74.1164.7000111.6L24 G25 Y26 A31 L32L24-L28 HydrophobicContact CG-CD1 4.16Å; L24-L28 WeakPolarHBondContact O-CG 3.11Å; L24-L28 PolarHBondContact O-N 3.05Å; G25-L28 PolarHBondContact O-N 2.63Å; Y26-L28 VanDerWaalsContact C-N 3.34Å; Y26-L28 PolarHBondContact O-N 3.27Å; L28-A31 PolarHBondContact O-N 2.87Å; L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-L32 VanDerWaalsContact O-N 3.08Å
29A87.4Confident84.1Confident43 Ų43102.9 Ų102.936%0.35555%0.552SS.*Hα-helixtrans-61-48.1177.300000111.8G25 Y26 A31 L32 L33G25-A29 WeakPolarHBondContact O-CB 3.43Å; G25-A29 PolarHBondContact O-N 2.87Å; Y26-A29 PolarHBondContact O-N 3.28Å; A29-A31 PolarHBondContact O-N 2.9Å; A29-L32 PolarHBondContact O-N 3.46Å; A29-L33 VanDerWaalsContact O-CB 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.37Å
30M87.6Confident85.8Confident66 Ų66101.3 Ų101.333%0.32554%0.539SS..Hα-helixtrans-64.6-40.5177.7-67-62.6-8100112Y26 L32 L33 L34Y26-M30 HydrophobicContact CD1-CG 4.06Å; Y26-M30 HydrophobicContact CD2-CG 4.34Å; Y26-M30 HydrophobicContact CE1-CG 3.62Å; Y26-M30 HydrophobicContact CE2-CG 3.9Å; Y26-M30 HydrophobicContact CE2-SD 4.2Å; Y26-M30 HydrophobicContact CG-CG 4.42Å; Y26-M30 WeakPolarHBondContact O-CG 3.31Å; Y26-M30 PolarHBondContact O-N 2.87Å; M30-L32 PolarHBondContact O-N 3.17Å; M30-L33 PolarHBondContact O-N 2.88Å; M30-L34 HydrophobicContact CB-CD1 4.4Å; M30-L34 HydrophobicContact CE-CD1 4.43Å; M30-L34 HydrophobicContact CE-CG 4.49Å; M30-L34 VanDerWaalsContact O-CB 3.29Å; M30-L34 WeakPolarHBondContact O-CB 3.42Å; M30-L34 VanDerWaalsContact O-CG 3.28Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.38Å
31A87.2Confident87.4Confident67 Ų67102.1 Ų102.155%0.55453%0.53SS*.Hα-helixtrans-62.1-28.2177.200000112.9K27 L28 A29 P35K27-A31 VanDerWaalsContact O-CB 3.23Å; K27-A31 WeakPolarHBondContact O-CB 3.22Å; K27-A31 PolarHBondContact O-N 3.49Å; L28-A31 PolarHBondContact O-N 2.87Å; A29-A31 PolarHBondContact O-N 2.9Å; A31-P35 WeakPolarHBondContact O-CD 3.3Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å
32L86.8Confident88.7Confident129 Ų12999.3 Ų99.368%0.67552%0.518SS*.Hα-helixtrans-90.5-38.1176.1-67172.8000112.9L28 A29 M30 P35L28-L32 WeakPolarHBondContact O-CG 3.27Å; L28-L32 PolarHBondContact O-N 2.91Å; L28-L32 VanDerWaalsContact O-N 3.08Å; A29-L32 PolarHBondContact O-N 3.46Å; M30-L32 PolarHBondContact O-N 3.17Å; L32-P35 WeakPolarHBondContact O-CD 3.21Å; L32-P35 WeakPolarHBondContact O-CG 3.14Å
33L91.8Very high90Very high93 Ų93102.1 Ų102.149%0.48752%0.524SS..Hα-helixtrans-75.5-43.1-176.2-72.5173.2000112.8A29 M30 F36 I37A29-L33 VanDerWaalsContact O-CB 3.28Å; A29-L33 WeakPolarHBondContact O-CB 3.41Å; A29-L33 VanDerWaalsContact O-CG 3.22Å; A29-L33 WeakPolarHBondContact O-CG 3.46Å; A29-L33 PolarHBondContact O-N 3.37Å; M30-L33 PolarHBondContact O-N 2.88Å; L33-F36 WeakPolarHBondContact O-CB 3.4Å; L33-F36 PolarHBondContact O-N 2.86Å; L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.84Å
34L91.7Very high90.6Very high75 Ų75100.4 Ų100.439%0.39352%0.516SS..Hα-helixtrans-55.9-53.9179.9-72.7170000112.7M30 F36 I37 Y38M30-L34 HydrophobicContact CB-CD1 4.4Å; M30-L34 HydrophobicContact CE-CD1 4.43Å; M30-L34 HydrophobicContact CE-CG 4.49Å; M30-L34 VanDerWaalsContact O-CB 3.29Å; M30-L34 WeakPolarHBondContact O-CB 3.42Å; M30-L34 VanDerWaalsContact O-CG 3.28Å; M30-L34 WeakPolarHBondContact O-CG 3.3Å; M30-L34 PolarHBondContact O-N 3.38Å; L34-F36 PolarHBondContact O-N 2.87Å; L34-I37 PolarHBondContact O-N 3.23Å; L34-Y38 HydrophobicContact CB-CE2 4.48Å; L34-Y38 WeakPolarHBondContact O-CD2 3.38Å; L34-Y38 PolarHBondContact O-N 2.9Å
35P92.3Very high91.3Very high63 Ų6397.2 Ų97.241%0.40950%0.502SS..Hα-helixtrans-62.7-34.5179.225.7-34.6000111.7A31 L32 Y38 M39A31-P35 WeakPolarHBondContact O-CD 3.3Å; A31-P35 WeakPolarHBondContact O-CG 3.35Å; L32-P35 WeakPolarHBondContact O-CD 3.21Å; L32-P35 WeakPolarHBondContact O-CG 3.14Å; P35-Y38 PolarHBondContact O-N 3.07Å; P35-M39 WeakPolarHBondContact O-CB 3.48Å; P35-M39 WeakPolarHBondContact O-CG 3.48Å; P35-M39 PolarHBondContact O-N 3.04Å
36F91.9Very high91.8Very high125 Ų12599.3 Ų99.355%0.54850%0.498SS..Hα-helixtrans-64.5-43.8175.5-171.9-104.3000112L33 L34 M39 L40L33-F36 WeakPolarHBondContact O-CB 3.4Å; L33-F36 PolarHBondContact O-N 2.86Å; L34-F36 PolarHBondContact O-N 2.87Å; F36-M39 PolarHBondContact O-N 3.39Å; F36-L40 HydrophobicContact CD1-CD1 3.86Å; F36-L40 HydrophobicContact CD1-CG 4.3Å; F36-L40 HydrophobicContact CE1-CD1 3.45Å; F36-L40 VanDerWaalsContact CE1-CD1 3.45Å; F36-L40 HydrophobicContact CE1-CD2 4.5Å; F36-L40 HydrophobicContact CE1-CG 4.01Å; F36-L40 HydrophobicContact CZ-CD1 4.06Å; F36-L40 HydrophobicContact CZ-CD2 4.3Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 2.87Å
37I93.2Very high92.3Very high100 Ų10096.9 Ų96.951%0.51349%0.493SS..Hα-helixtrans-61.4-45.1174.7-67.5163.4000110.6L33 L34 L40 F41L33-I37 VanDerWaalsContact O-CG1 3.27Å; L33-I37 WeakPolarHBondContact O-CG1 3.41Å; L33-I37 PolarHBondContact O-N 2.84Å; L34-I37 PolarHBondContact O-N 3.23Å; I37-L40 PolarHBondContact O-N 2.74Å; I37-F41 WeakPolarHBondContact O-CB 3.27Å; I37-F41 PolarHBondContact O-N 3.21Å
38Y93.5Very high92.9Very high141 Ų14194.8 Ų94.855%0.55349%0.491SS*.Hα-helixtrans-62.2-43.3175.7-78.1-68.8000111.7L34 P35 L40 F41 F42L34-Y38 HydrophobicContact CB-CE2 4.48Å; L34-Y38 WeakPolarHBondContact O-CD2 3.38Å; L34-Y38 PolarHBondContact O-N 2.9Å; P35-Y38 PolarHBondContact O-N 3.07Å; Y38-L40 PolarHBondContact O-N 2.82Å; Y38-F41 WeakPolarHBondContact O-CB 3.24Å; Y38-F41 PolarHBondContact O-N 2.86Å; Y38-F42 HydrophobicContact CD1-CE2 4.39Å; Y38-F42 WeakPolarHBondContact O-CD2 3.21Å; Y38-F42 PolarHBondContact O-N 3.35Å
39M94Very high93.3Very high137 Ų13794.9 Ų94.968%0.67549%0.49SS*.Hα-helixtrans-61.3-42.9176.4-72.5-71.3-95.800111.5P35 F36 F43P35-M39 WeakPolarHBondContact O-CB 3.48Å; P35-M39 WeakPolarHBondContact O-CG 3.48Å; P35-M39 PolarHBondContact O-N 3.04Å; F36-M39 PolarHBondContact O-N 3.39Å; M39-F43 WeakPolarHBondContact O-CB 3.43Å; M39-F43 PolarHBondContact O-N 3.26Å
40L95.3Very high93.7Very high89 Ų8999 Ų9947%0.46650%0.496SS..Hα-helixtrans-63.8-39.5174.1-72179.9000112.3F36 I37 Y38 S44F36-L40 HydrophobicContact CD1-CD1 3.86Å; F36-L40 HydrophobicContact CD1-CG 4.3Å; F36-L40 HydrophobicContact CE1-CD1 3.45Å; F36-L40 VanDerWaalsContact CE1-CD1 3.45Å; F36-L40 HydrophobicContact CE1-CD2 4.5Å; F36-L40 HydrophobicContact CE1-CG 4.01Å; F36-L40 HydrophobicContact CZ-CD1 4.06Å; F36-L40 HydrophobicContact CZ-CD2 4.3Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.36Å; F36-L40 PolarHBondContact O-N 2.87Å; I37-L40 PolarHBondContact O-N 2.74Å; Y38-L40 PolarHBondContact O-N 2.82Å; L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 2.87Å
41F96.3Very high94Very high125 Ų125101.7 Ų101.755%0.54851%0.511SS..Hα-helixtrans-63.6-51.9175.6176.8-98.2000111.5I37 Y38 F43 S44 V45I37-F41 WeakPolarHBondContact O-CB 3.27Å; I37-F41 PolarHBondContact O-N 3.21Å; Y38-F41 WeakPolarHBondContact O-CB 3.24Å; Y38-F41 PolarHBondContact O-N 2.86Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.85Å; F41-S44 WeakPolarHBondContact O-CB 3.48Å; F41-S44 PolarHBondContact O-N 2.86Å; F41-V45 HydrophobicContact CD1-CG2 4.28Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 3.84Å; F41-V45 HydrophobicContact CE2-CG2 4.07Å; F41-V45 HydrophobicContact CZ-CG2 3.73Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.2Å
42F96.2Very high94.2Very high131 Ų131101.9 Ų101.958%0.57551%0.505SS*.Hα-helixtrans-62.4-38.3177.8-74.9-63.7000112Y38 F46Y38-F42 HydrophobicContact CD1-CE2 4.39Å; Y38-F42 WeakPolarHBondContact O-CD2 3.21Å; Y38-F42 PolarHBondContact O-N 3.35Å; F42-F46 VanDerWaalsContact O-CB 3.22Å; F42-F46 WeakPolarHBondContact O-CB 3.41Å; F42-F46 PolarHBondContact O-N 2.91Å
43F95.9Very high94.4Very high120 Ų120102.1 Ų102.153%0.52650%0.498SS..Hα-helixtrans-64-44174.3-174.3-106.7000111.5M39 F41 F46 L47M39-F43 WeakPolarHBondContact O-CB 3.43Å; M39-F43 PolarHBondContact O-N 3.26Å; F41-F43 VanDerWaalsContact C-N 3.3Å; F41-F43 PolarHBondContact O-N 2.85Å; F43-F46 PolarHBondContact O-N 2.88Å; F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.41Å; F43-L47 VanDerWaalsContact CE1-CD1 3.41Å; F43-L47 HydrophobicContact CE1-CD2 4.43Å; F43-L47 HydrophobicContact CE1-CG 3.95Å; F43-L47 HydrophobicContact CZ-CD1 3.94Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.11Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CG 3.48Å; F43-L47 PolarHBondContact O-N 2.99Å
44S95.3Very high94.2Very high65 Ų65104 Ų10446%0.45550%0.502SS..Hα-helixtrans-61.4-48.4175.3-177.40000112L40 F41 F46 L47 V48L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 2.87Å; F41-S44 WeakPolarHBondContact O-CB 3.48Å; F41-S44 PolarHBondContact O-N 2.86Å; S44-F46 VanDerWaalsContact C-N 3.3Å; S44-F46 PolarHBondContact O-N 3.29Å; S44-L47 PolarHBondContact O-N 2.86Å; S44-V48 WeakPolarHBondContact O-CG2 3.5Å; S44-V48 PolarHBondContact O-N 2.48Å
45V96.6Very high93.9Very high70 Ų70102.8 Ų102.842%0.42450%0.503SS..Hα-helixtrans-58.6-43.5175.51720000110.9F41 V48 M49F41-V45 HydrophobicContact CD1-CG2 4.28Å; F41-V45 HydrophobicContact CD2-CG2 4.48Å; F41-V45 HydrophobicContact CE1-CG2 3.84Å; F41-V45 HydrophobicContact CE2-CG2 4.07Å; F41-V45 HydrophobicContact CZ-CG2 3.73Å; F41-V45 WeakPolarHBondContact O-CG2 3.47Å; F41-V45 PolarHBondContact O-N 3.2Å; V45-V48 PolarHBondContact O-N 2.82Å; V45-M49 WeakPolarHBondContact O-CB 3.22Å; V45-M49 PolarHBondContact O-N 3.35Å
46F96.5Very high93.4Very high92 Ų92102.7 Ų102.740%0.40450%0.504SS..Hα-helixtrans-63.8-41.4176.5178.5-96.9000112.4F42 F43 S44 M49 R50F42-F46 VanDerWaalsContact O-CB 3.22Å; F42-F46 WeakPolarHBondContact O-CB 3.41Å; F42-F46 PolarHBondContact O-N 2.91Å; F43-F46 PolarHBondContact O-N 2.88Å; S44-F46 VanDerWaalsContact C-N 3.3Å; S44-F46 PolarHBondContact O-N 3.29Å; F46-M49 HydrophobicContact CD2-CE 4.05Å; F46-M49 HydrophobicContact CE2-CE 4.31Å; F46-M49 PolarHBondContact O-N 2.93Å; F46-R50 HydrophobicContact CD1-CG 4.16Å; F46-R50 HydrophobicContact CE1-CG 3.88Å; F46-R50 HydrophobicContact CE2-CG 4.45Å; F46-R50 HydrophobicContact CZ-CG 4.07Å; F46-R50 WeakPolarHBondContact O-CB 3.31Å; F46-R50 VanDerWaalsContact O-CG 3.22Å; F46-R50 WeakPolarHBondContact O-CG 3.33Å; F46-R50 PolarHBondContact O-N 2.79Å
47L96.9Very high92.8Very high76 Ų76100.3 Ų100.340%0.39849%0.494SS..Hα-helixtrans-63.2-46.3175.1-74-175.4000111.5F43 S44 M49 R50 I51F43-L47 HydrophobicContact CD1-CD1 3.87Å; F43-L47 HydrophobicContact CD1-CG 4.23Å; F43-L47 HydrophobicContact CE1-CD1 3.41Å; F43-L47 VanDerWaalsContact CE1-CD1 3.41Å; F43-L47 HydrophobicContact CE1-CD2 4.43Å; F43-L47 HydrophobicContact CE1-CG 3.95Å; F43-L47 HydrophobicContact CZ-CD1 3.94Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.11Å; F43-L47 WeakPolarHBondContact O-CB 3.23Å; F43-L47 WeakPolarHBondContact O-CG 3.48Å; F43-L47 PolarHBondContact O-N 2.99Å; S44-L47 PolarHBondContact O-N 2.86Å; L47-M49 PolarHBondContact O-N 3.04Å; L47-R50 PolarHBondContact O-N 2.88Å; L47-I51 VanDerWaalsContact O-CG1 3.3Å; L47-I51 WeakPolarHBondContact O-CG1 3.33Å; L47-I51 PolarHBondContact O-N 3.39Å
48V96.9Very high92Very high82 Ų8298.2 Ų98.250%0.49749%0.492SS..Hα-helixtrans-61.5-44.2176.6173.30000111S44 V45 R50 I51 T52S44-V48 WeakPolarHBondContact O-CG2 3.5Å; S44-V48 PolarHBondContact O-N 2.48Å; V45-V48 PolarHBondContact O-N 2.82Å; V48-R50 VanDerWaalsContact C-N 3.33Å; V48-R50 PolarHBondContact O-N 2.89Å; V48-I51 PolarHBondContact O-N 2.89Å; V48-T52 HydrophobicContact CG1-CG2 4.33Å; V48-T52 WeakPolarHBondContact O-CB 3.39Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.3Å; V48-T52 PolarHBondContact O-OG1 3.4Å
49M95.7Very high91Very high104 Ų10496 Ų9651%0.51249%0.489SS..Hα-helixtrans-60.4-42.1175.2-173.2-170.276.400111.5V45 F46 L47 T52 Y53V45-M49 WeakPolarHBondContact O-CB 3.22Å; V45-M49 PolarHBondContact O-N 3.35Å; F46-M49 HydrophobicContact CD2-CE 4.05Å; F46-M49 HydrophobicContact CE2-CE 4.31Å; F46-M49 PolarHBondContact O-N 2.93Å; L47-M49 PolarHBondContact O-N 3.04Å; M49-T52 WeakPolarHBondContact CA-OG1 3.37Å; M49-T52 PolarHBondContact O-OG1 2.83Å; M49-Y53 WeakPolarHBondContact O-CB 3.33Å; M49-Y53 PolarHBondContact O-N 3.06Å
50R95.8Very high90Very high129 Ų12992.6 Ų92.649%0.48747%0.474SS..Hα-helixtrans-63.9-43.6176.8-75.5-77.5-173.6164.5-0.1111.9F46 L47 V48 K54F46-R50 HydrophobicContact CD1-CG 4.16Å; F46-R50 HydrophobicContact CE1-CG 3.88Å; F46-R50 HydrophobicContact CE2-CG 4.45Å; F46-R50 HydrophobicContact CZ-CG 4.07Å; F46-R50 WeakPolarHBondContact O-CB 3.31Å; F46-R50 VanDerWaalsContact O-CG 3.22Å; F46-R50 WeakPolarHBondContact O-CG 3.33Å; F46-R50 PolarHBondContact O-N 2.79Å; L47-R50 PolarHBondContact O-N 2.88Å; V48-R50 VanDerWaalsContact C-N 3.33Å; V48-R50 PolarHBondContact O-N 2.89Å; R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 WeakPolarHBondContact O-CG 3.27Å; R50-K54 PolarHBondContact O-N 2.99Å
51I94.2Very high88.8Confident122 Ų12293.2 Ų93.263%0.62648%0.481SS*.Hα-helixtrans-65.7-49.9179.5-67.4164.8000110.4L47 V48 Y53 K54 A55L47-I51 VanDerWaalsContact O-CG1 3.3Å; L47-I51 WeakPolarHBondContact O-CG1 3.33Å; L47-I51 PolarHBondContact O-N 3.39Å; V48-I51 PolarHBondContact O-N 2.89Å; I51-Y53 PolarHBondContact O-N 3.06Å; I51-K54 PolarHBondContact O-N 3.36Å; I51-A55 WeakPolarHBondContact O-CB 3.41Å; I51-A55 PolarHBondContact O-N 3.33Å
52T92Very high87.4Confident72 Ų7290 Ų9044%0.44248%0.478SS..Hα-helixtrans-61.5-45.4178.449.40000111.5V48 M49 K54 A55 S56V48-T52 HydrophobicContact CG1-CG2 4.33Å; V48-T52 WeakPolarHBondContact O-CB 3.39Å; V48-T52 WeakPolarHBondContact O-CG2 3.38Å; V48-T52 PolarHBondContact O-N 3.3Å; V48-T52 PolarHBondContact O-OG1 3.4Å; M49-T52 WeakPolarHBondContact CA-OG1 3.37Å; M49-T52 PolarHBondContact O-OG1 2.83Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact O-N 3.25Å; T52-A55 PolarHBondContact O-N 3.49Å; T52-A55 VanDerWaalsContact O-N 3.16Å; T52-S56 PolarHBondContact O-N 3.41Å; T52-S56 PolarHBondContact O-OG 2.86Å; T52-S56 VanDerWaalsContact O-OG 3.11Å
53Y91.6Very high86Confident134 Ų13487.2 Ų87.253%0.52547%0.471SS..Hα-helixtrans-60.2-41.1176.3178.9-116.1000112.8M49 I51 S56 Q57M49-Y53 WeakPolarHBondContact O-CB 3.33Å; M49-Y53 PolarHBondContact O-N 3.06Å; I51-Y53 PolarHBondContact O-N 3.06Å; Y53-S56 PolarHBondContact O-N 2.94Å; Y53-Q57 HydrophobicContact CE2-CG 4.34Å; Y53-Q57 PolarHBondContact O-N 3.46Å; Y53-Q57 PolarHBondContact OH-NE2 3.48Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.09Å
54K87.1Confident84.6Confident132 Ų13283.6 Ų83.657%0.57446%0.457SS*.Hα-helixtrans-66.8-38.9175.3-73.9-70.3-175.1-1780112.1R50 I51 T52 A58R50-K54 WeakPolarHBondContact O-CB 3.14Å; R50-K54 WeakPolarHBondContact O-CG 3.27Å; R50-K54 PolarHBondContact O-N 2.99Å; I51-K54 PolarHBondContact O-N 3.36Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-K54 PolarHBondContact O-N 3.25Å; K54-A58 WeakPolarHBondContact O-CB 3.29Å; K54-A58 PolarHBondContact O-N 3.22Å; K54-A58 VanDerWaalsContact O-N 3.07Å
55A85Confident83.3Confident49 Ų4985.1 Ų85.141%0.40546%0.456SS..Hα-helixtrans-65.2-44.8174.700000111.8I51 T52 Q57 A58 I59I51-A55 WeakPolarHBondContact O-CB 3.41Å; I51-A55 PolarHBondContact O-N 3.33Å; T52-A55 PolarHBondContact O-N 3.49Å; T52-A55 VanDerWaalsContact O-N 3.16Å; A55-Q57 PolarHBondContact O-N 2.92Å; A55-A58 PolarHBondContact O-N 2.93Å; A55-I59 WeakPolarHBondContact O-CG1 3.46Å; A55-I59 PolarHBondContact O-N 2.91Å
56S82.3Confident82Confident61 Ų6189.1 Ų89.143%0.42748%0.475SS..Hα-helixtrans-58-48.5175.4-62.50000111.5T52 Y53 A58 I59 D60T52-S56 PolarHBondContact O-N 3.41Å; T52-S56 PolarHBondContact O-OG 2.86Å; T52-S56 VanDerWaalsContact O-OG 3.11Å; Y53-S56 PolarHBondContact O-N 2.94Å; S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.15Å; S56-I59 PolarHBondContact O-N 3.33Å; S56-I59 VanDerWaalsContact O-N 3.15Å; S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 2.96Å
57Q79.1Confident80.9Confident75 Ų7588.4 Ų88.435%0.3547%0.472SS..Hα-helixtrans-60.2-39.3176.6-80.3-166.660.300113.2Y53 A55 I59 T61Y53-Q57 HydrophobicContact CE2-CG 4.34Å; Y53-Q57 PolarHBondContact O-N 3.46Å; Y53-Q57 PolarHBondContact OH-NE2 3.48Å; Y53-Q57 VanDerWaalsContact OH-NE2 3.09Å; A55-Q57 PolarHBondContact O-N 2.92Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; Q57-T61 WeakPolarHBondContact O-CB 3.41Å; Q57-T61 PolarHBondContact O-N 2.85Å; Q57-T61 PolarHBondContact O-OG1 2.82Å
58A75.7Confident79.9Confident57 Ų5789.7 Ų89.747%0.47148%0.484SS..Hα-helixtrans-64.7-40.8177.400000111.3K54 A55 S56 A62K54-A58 WeakPolarHBondContact O-CB 3.29Å; K54-A58 PolarHBondContact O-N 3.22Å; K54-A58 VanDerWaalsContact O-N 3.07Å; A55-A58 PolarHBondContact O-N 2.93Å; S56-A58 VanDerWaalsContact C-N 3.3Å; S56-A58 PolarHBondContact O-N 3.15Å; A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.83Å
59I72.2Confident79.4Confident94 Ų9485.9 Ų85.948%0.48246%0.461SS..Hα-helixtrans-66.2-49.1176.7-67.1165.2000110.6A55 S56 Q57 T61 A62 V63 I64A55-I59 WeakPolarHBondContact O-CG1 3.46Å; A55-I59 PolarHBondContact O-N 2.91Å; S56-I59 PolarHBondContact O-N 3.33Å; S56-I59 VanDerWaalsContact O-N 3.15Å; Q57-I59 VanDerWaalsContact C-N 3.34Å; I59-T61 VanDerWaalsContact C-N 3.32Å; I59-T61 PolarHBondContact O-N 2.85Å; I59-A62 PolarHBondContact O-N 3.34Å; I59-V63 HydrophobicContact CG2-CB 4.49Å; I59-V63 WeakPolarHBondContact O-CA 3.48Å; I59-V63 VanDerWaalsContact O-CB 3.27Å; I59-V63 WeakPolarHBondContact O-CB 3.22Å; I59-V63 PolarHBondContact O-N 2.87Å; I59-I64 HydrophobicContact CG2-CD1 4.32Å
60D73Confident79.1Confident66 Ų6684.6 Ų84.635%0.35346%0.462SS..Iπ-helixtrans-58.1-46-178.7-70.7-22.4000111.1S56 I64 F65S56-D60 VanDerWaalsContact O-CG 3.32Å; S56-D60 PolarHBondContact O-N 2.96Å; D60-I64 PolarHBondContact O-N 2.86Å; D60-F65 HydrophobicContact CB-CD2 4.15Å; D60-F65 HydrophobicContact CB-CE2 4.44Å; D60-F65 PolarHBondContact O-N 3.11Å
61T70.4Confident78.9Confident101 Ų10179.3 Ų79.362%0.6245%0.445SS*.Iπ-helixtrans-72-41.3-179.4-50.20000112.5Q57 I59Q57-T61 WeakPolarHBondContact O-CB 3.41Å; Q57-T61 PolarHBondContact O-N 2.85Å; Q57-T61 PolarHBondContact O-OG1 2.82Å; I59-T61 VanDerWaalsContact C-N 3.32Å; I59-T61 PolarHBondContact O-N 2.85Å
62A68.2Low78.9Confident59 Ų5976 Ų7649%0.48843%0.433SS..Iπ-helixtrans-83.1-28-173.600000113.3A58 I59 K67A58-A62 WeakPolarHBondContact O-CB 3.43Å; A58-A62 PolarHBondContact O-N 2.83Å; I59-A62 PolarHBondContact O-N 3.34Å; A62-K67 WeakPolarHBondContact O-CE 3.47Å; A62-K67 PolarHBondContact O-NZ 2.96Å
63V66.5Low79.1Confident71 Ų7173.7 Ų73.743%0.4342%0.419SS..Iπ-helixtrans-119.4-36.6-165.8-174.40000112.8I59I59-V63 HydrophobicContact CG2-CB 4.49Å; I59-V63 WeakPolarHBondContact O-CA 3.48Å; I59-V63 VanDerWaalsContact O-CB 3.27Å; I59-V63 WeakPolarHBondContact O-CB 3.22Å; I59-V63 PolarHBondContact O-N 2.87Å
64I66.6Low79.3Confident45 Ų4573.1 Ų73.123%0.23142%0.421CS..Iπ-helixtrans-104.4-51-163.3-50.6-171.3000111.9I59 D60 A106I59-I64 HydrophobicContact CG2-CD1 4.32Å; D60-I64 PolarHBondContact O-N 2.86Å; I64-A106 HydrophobicContact CG2-CB 4.03Å; I64-A106 VanDerWaalsContact O-CB 3.27Å; I64-A106 WeakPolarHBondContact O-CB 3.48Å; I64-A106 PolarHBondContact O-N 3.11Å
65F67.6Low79.7Confident96 Ų9667.9 Ų67.942%0.42140%0.399SS..SBendtrans-120.4157.8-168.5-56.6-75.5000112.8D60 K67 C107D60-F65 HydrophobicContact CB-CD2 4.15Å; D60-F65 HydrophobicContact CB-CE2 4.44Å; D60-F65 PolarHBondContact O-N 3.11Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 3.23Å; F65-C107 HydrophobicContact CD1-CB 4.06Å; F65-C107 HydrophobicContact CE1-CB 3.56Å
66N68.6Low80.2Confident155 Ų15569.5 Ų69.583%0.82940%0.404SS*.  trans6631.3165.9-117.4-0.7000114.3D105N66-D105 PolarHBondContact N-OD2 2.79Å
67K73.9Confident80.7Confident77 Ų7767.6 Ų67.634%0.33539%0.394SS..PPolyproline II helixtrans-81.6123.4170.6-77.6176.8-176.8-69.30109.4A62 F65 G104 Q110A62-K67 WeakPolarHBondContact O-CE 3.47Å; A62-K67 PolarHBondContact O-NZ 2.96Å; F65-K67 VanDerWaalsContact C-N 3.34Å; F65-K67 PolarHBondContact O-N 3.23Å; K67-G104 VanDerWaalsContact CD-O 3.31Å; K67-G104 WeakPolarHBondContact CD-O 3.32Å; K67-Q110 PolarHBondContact O-NE2 2.68Å
68P76.3Confident81.3Confident102 Ų10266.4 Ų66.466%0.66239%0.391SS*.PPolyproline II helixtrans-64157.5174.828.4-34.2000110S70P68-S70 PolarHBondContact O-N 2.83Å
69I85.3Confident82Confident3 Ų369.8 Ų69.82%0.01539%0.392CS..EExtended strand (participates in β ladder)trans-61.9121.4170.7-65.1170.3000107.5L101 D102 Q110 R112 F134 L136 Y188I69-L101 HydrophobicContact CG2-CB 4.06Å; I69-L101 HydrophobicContact CG2-CD2 4.17Å; I69-D102 WeakPolarHBondContact CA-O 3.42Å; I69-Q110 HydrophobicContact CD1-CB 4.04Å; I69-Q110 HydrophobicContact CG1-CB 4.41Å; I69-R112 HydrophobicContact CD1-CG 4.38Å; I69-F134 HydrophobicContact CD1-CE2 4.42Å; I69-L136 HydrophobicContact CD1-CD1 3.94Å; I69-L136 HydrophobicContact CG1-CD1 4.1Å; I69-L136 HydrophobicContact CG2-CD1 4.02Å; I69-Y188 WeakPolarHBondContact CB-OH 3.38Å; I69-Y188 WeakPolarHBondContact O-CE1 3.35Å; I69-Y188 PolarHBondContact O-OH 2.89Å
70S89.5Confident82.7Confident76 Ų7666.2 Ų66.253%0.53138%0.378SS..EExtended strand (participates in β ladder)trans-81.4145.9167.3-178.50000108.2P68 L101 D102P68-S70 PolarHBondContact O-N 2.83Å; S70-L101 WeakPolarHBondContact O-CA 3.37Å; S70-D102 PolarHBondContact N-O 2.88Å; S70-D102 PolarHBondContact O-N 3.47Å
71S91.8Very high83.2Confident19 Ų1964.5 Ų64.513%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-145.6140.7-171.961.50000111R100 Y188 W190S71-R100 CarbonylContact C-O 3.47Å; S71-R100 VanDerWaalsContact CA-O 3.28Å; S71-R100 WeakPolarHBondContact CA-O 3.31Å; S71-Y188 WeakPolarHBondContact OG-CD1 3.28Å; S71-Y188 WeakPolarHBondContact OG-CE1 3.39Å; S71-Y188 VanDerWaalsContact OG-CG 3.31Å; S71-W190 PolarHBondContact O-NE1 2.91Å; S71-W190 VanDerWaalsContact O-NE1 3.16Å; S71-W190 WeakPolarHBondContact OG-CZ2 3.37Å
72S94.5Very high83.5Confident53 Ų5364 Ų6437%0.37136%0.362SS..EExtended strand (participates in β ladder)trans-137.1152.4173.363.80000109.1R100S72-R100 PolarHBondContact N-O 3.04Å; S72-R100 PolarHBondContact O-N 2.97Å
73V95.6Very high83.5Confident23 Ų2362.7 Ų62.714%0.13935%0.349CS..EExtended strand (participates in β ladder)trans-122.2143177.562.30000109.4L97 L98 L99 I176 W190 V192V73-L97 HydrophobicContact CG2-CB 4.32Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; V73-L98 CarbonylContact C-O 3.54Å; V73-L98 WeakPolarHBondContact CA-O 3.12Å; V73-L99 HydrophobicContact CB-CD2 3.75Å; V73-L99 HydrophobicContact CG2-CD2 3.61Å; V73-I176 HydrophobicContact CG1-CD1 4.1Å; V73-I176 HydrophobicContact CG2-CD1 3.86Å; V73-I176 HydrophobicContact CG2-CG2 4.41Å; V73-W190 HydrophobicContact CB-CD2 4.11Å; V73-W190 HydrophobicContact CB-CE3 4.11Å; V73-W190 HydrophobicContact CB-CG 4.47Å; V73-W190 HydrophobicContact CB-CZ3 4.43Å; V73-W190 HydrophobicContact CG1-CB 3.52Å; V73-W190 HydrophobicContact CG1-CD2 3.53Å; V73-W190 HydrophobicContact CG1-CE3 3.76Å; V73-W190 HydrophobicContact CG1-CG 3.46Å; V73-W190 VanDerWaalsContact CG1-CG 3.46Å; V73-V192 HydrophobicContact CG1-CG2 3.62Å
74E95.7Very high83.4Confident122 Ų12261.5 Ų61.557%0.5734%0.344SS*.EExtended strand (participates in β ladder)trans-122130.6171.7-178.2-178.2167.400108.2V76 L97 L98E74-V76 HydrophobicContact CG-CG2 4.47Å; E74-L97 WeakPolarHBondContact O-CA 3.35Å; E74-L98 HydrophobicContact CB-CB 4.32Å; E74-L98 PolarHBondContact N-O 2.83Å; E74-L98 PolarHBondContact O-N 2.84Å
75L95.5Very high83.1Confident22 Ų2267 Ų6712%0.11537%0.373CS..EExtended strand (participates in β ladder)trans-86.2108.5172.5178.962.9000108.3V78 F95 L97 L174 V192L75-V78 HydrophobicContact CD1-CG2 3.95Å; L75-V78 HydrophobicContact CD2-CG2 3.78Å; L75-V78 HydrophobicContact CG-CG2 4.1Å; L75-F95 HydrophobicContact CD1-CB 4.36Å; L75-F95 HydrophobicContact CD1-CD1 4.25Å; L75-L97 HydrophobicContact CB-CD2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.6Å; L75-L174 HydrophobicContact CD2-CD1 3.84Å; L75-V192 HydrophobicContact CB-CG1 3.91Å
76V95.1Very high82.6Confident83 Ų8364.4 Ų64.450%0.50337%0.369SS..EExtended strand (participates in β ladder)trans-88.6-30.2-175.6-179.80000111.8E74 D96 L98E74-V76 HydrophobicContact CG-CG2 4.47Å; V76-D96 HydrophobicContact CB-CB 4.29Å; V76-D96 PolarHBondContact N-O 2.65Å; V76-L98 HydrophobicContact CG2-CB 4.08Å; V76-L98 HydrophobicContact CG2-CD1 3.43Å; V76-L98 VanDerWaalsContact CG2-CD1 3.43Å; V76-L98 HydrophobicContact CG2-CG 3.51Å
77G92.8Very high81.9Confident21 Ų2163.5 Ų63.522%0.21637%0.372CS..EExtended strand (participates in β ladder)trans-168.2149.7-17800000113.2F95 D96G77-F95 WeakPolarHBondContact O-CA 3.34Å; G77-D96 PolarHBondContact N-O 3.09Å; G77-D96 PolarHBondContact O-N 3.02Å
78V92.7Very high81Confident50 Ų5064.1 Ų64.130%0.30340%0.4SS..EExtended strand (participates in β ladder)trans-125.4133.6174.9-173.90000108.3L75 L81 F95 L194L75-V78 HydrophobicContact CD1-CG2 3.95Å; L75-V78 HydrophobicContact CD2-CG2 3.78Å; L75-V78 HydrophobicContact CG-CG2 4.1Å; V78-L81 HydrophobicContact CG1-CB 3.98Å; V78-L81 HydrophobicContact CG1-CD2 4.13Å; V78-L81 HydrophobicContact CG1-CG 4.48Å; V78-F95 HydrophobicContact CB-CD1 4.43Å; V78-F95 HydrophobicContact CG1-CD1 3.96Å; V78-F95 HydrophobicContact CG1-CE1 3.67Å; V78-F95 HydrophobicContact CG1-CZ 4.49Å; V78-F95 HydrophobicContact CG2-CD1 3.94Å; V78-F95 HydrophobicContact CG2-CE1 4.21Å; V78-L194 HydrophobicContact CG2-CD1 4.19Å
79R90.4Very high80.1Confident128 Ų12862.7 Ų62.748%0.48340%0.396SS..EExtended strand (participates in β ladder)trans-134.4152.8176.2-66.1-176.1-68.1-94-9.6110.3L81 P93 A94 D96R79-L81 PolarHBondContact O-N 2.9Å; R79-P93 CarbonylContact O-C 3.48Å; R79-P93 VanDerWaalsContact O-CA 3.31Å; R79-P93 WeakPolarHBondContact O-CA 3.27Å; R79-A94 HydrophobicContact CB-CB 4.48Å; R79-A94 PolarHBondContact N-O 2.8Å; R79-A94 PolarHBondContact O-N 2.93Å; R79-D96 IonicContact CZ-OD1 2.85Å; R79-D96 IonicContact CZ-OD2 3.76Å; R79-D96 IonicContact NH1-OD1 3.36Å; R79-D96 IonicContact NH1-OD2 3.86Å; R79-D96 PolarHBondContact NH1-OD2 2.87Å; R79-D96 VanDerWaalsContact NH2-CG 3.28Å; R79-D96 IonicContact NH2-OD1 2.72Å; R79-D96 PolarHBondContact NH2-OD1 2.85Å; R79-D96 IonicContact NH2-OD2 2.82Å; R79-D96 PolarHBondContact NH2-OD2 2.9Å
80G86.6Confident79Confident19 Ų1963.3 Ų63.320%0.19640%0.402CS..  trans64.925172.300000114.5D82 A91 P93G80-D82 PolarHBondContact O-N 2.81Å; G80-D82 VanDerWaalsContact O-N 3.08Å; G80-A91 VanDerWaalsContact CA-CB 3.48Å; G80-A91 CarbonylContact O-C 3.54Å; G80-P93 WeakPolarHBondContact O-CA 3.2Å
81L83.7Confident78.1Confident29 Ų2961.5 Ų61.515%0.15239%0.392CS..  trans-8658.2175.5-158.176.5000109.7V78 R79 P93 F95 L126 V155 F160 M163 L194V78-L81 HydrophobicContact CG1-CB 3.98Å; V78-L81 HydrophobicContact CG1-CD2 4.13Å; V78-L81 HydrophobicContact CG1-CG 4.48Å; R79-L81 PolarHBondContact O-N 2.9Å; L81-P93 HydrophobicContact CD1-CB 4.12Å; L81-F95 HydrophobicContact CD1-CE1 4.45Å; L81-F95 HydrophobicContact CD1-CZ 3.98Å; L81-L126 HydrophobicContact CD1-CD1 4.43Å; L81-V155 HydrophobicContact CD1-CG2 4.02Å; L81-F160 VanDerWaalsContact O-CE2 3.22Å; L81-F160 WeakPolarHBondContact O-CE2 3.47Å; L81-M163 HydrophobicContact CD1-CE 3.64Å; L81-M163 HydrophobicContact CD1-SD 4.09Å; L81-M163 HydrophobicContact CD2-CE 3.55Å; L81-M163 HydrophobicContact CD2-SD 3.72Å; L81-M163 HydrophobicContact CG-CE 3.47Å; L81-M163 VanDerWaalsContact CG-CE 3.47Å; L81-M163 HydrophobicContact CG-SD 4.18Å; L81-L194 HydrophobicContact CD2-CD1 4.16Å; L81-L194 HydrophobicContact CD2-CD2 4.05Å
82D76.7Confident77.7Confident90 Ų9063.1 Ų63.148%0.48140%0.403SS..  trans-111152.4-179.1-68.7-60.4000110.1G80 S84 A91G80-D82 PolarHBondContact O-N 2.81Å; G80-D82 VanDerWaalsContact O-N 3.08Å; D82-S84 PolarHBondContact O-N 3.39Å; D82-A91 HydrophobicContact CB-CB 4.37Å
83P67.4Low77.6Confident33 Ų3360.7 Ų60.721%0.21439%0.386CS..BIsolated β-bridgetrans-64141.3175.824.6-27.2000109.7L85 F160P83-L85 HydrophobicContact CG-CG 4.43Å; P83-L85 PolarHBondContact O-N 2.76Å; P83-F160 HydrophobicContact CB-CB 4.49Å; P83-F160 HydrophobicContact CB-CD1 3.56Å; P83-F160 HydrophobicContact CB-CE1 3.9Å; P83-F160 HydrophobicContact CB-CG 3.92Å; P83-F160 HydrophobicContact CG-CD1 3.91Å; P83-F160 HydrophobicContact CG-CE1 3.67Å; P83-F160 HydrophobicContact CG-CG 4.49Å; P83-F160 HydrophobicContact CG-CZ 4.11Å
84S64.5Low77.5Confident45 Ų4560.2 Ų60.232%0.31539%0.385SS..  trans-68.582.4171.3175.70000110.8D82 A86D82-S84 PolarHBondContact O-N 3.39Å; S84-A86 PolarHBondContact O-N 2.97Å
85L61.6Low77.5Confident160 Ų16054.4 Ų54.484%0.83836%0.357SS*.SBendtrans-63.3-25.1178.6-72.4163.4000112.7P83P83-L85 HydrophobicContact CG-CG 4.43Å; P83-L85 PolarHBondContact O-N 2.76Å
86A56.6Low77.5Confident42 Ų4255.3 Ų55.335%0.34736%0.362SS..SBendtrans-156.3150.717100000111.1S84 G88 A89S84-A86 PolarHBondContact O-N 2.97Å; A86-G88 PolarHBondContact O-N 3.01Å; A86-G88 VanDerWaalsContact O-N 3.07Å; A86-A89 HydrophobicContact CB-CB 3.96Å; A86-A89 PolarHBondContact O-N 3.23Å
87P53.6Low77.6Confident137 Ų13751.5 Ų51.589%0.8934%0.339SS*.THydrogen-bonded Turntrans-54.8115.1171.5-2030.6000110.2
88G55.6Low77.8Confident89 Ų8953.1 Ų53.192%0.91834%0.343SS*.THydrogen-bonded Turntrans89.6-3.1-178.600000116.3A86A86-G88 PolarHBondContact O-N 3.01Å; A86-G88 VanDerWaalsContact O-N 3.07Å
89A58.1Low77.9Confident72 Ų7250.8 Ų50.860%0.59533%0.328SS*.THydrogen-bonded Turntrans-103-10171.800000113.3A86 A91A86-A89 HydrophobicContact CB-CB 3.96Å; A86-A89 PolarHBondContact O-N 3.23Å; A89-A91 PolarHBondContact O-N 2.99Å
90A61.2Low78.1Confident17 Ų1749.7 Ų49.714%0.1432%0.324CS..SBendtrans-66.8127.5179.500000110.6S92A90-S92 PolarHBondContact O-N 2.72Å
91A71.6Confident78.5Confident38 Ų3848.8 Ų48.831%0.31432%0.315SS..PPolyproline II helixtrans-60.4132.5165.600000108.3G80 D82 A89 P93G80-A91 VanDerWaalsContact CA-CB 3.48Å; G80-A91 CarbonylContact O-C 3.54Å; D82-A91 HydrophobicContact CB-CB 4.37Å; A89-A91 PolarHBondContact O-N 2.99Å; A91-P93 WeakPolarHBondContact O-CD 2.99Å
92S83.4Confident78.9Confident53 Ų5349.2 Ų49.237%0.37132%0.317SS..PPolyproline II helixtrans-79.4119.8-179.5-50.90000108.2A90 A94 S150 G152A90-S92 PolarHBondContact O-N 2.72Å; S92-A94 PolarHBondContact O-N 2.81Å; S92-S150 WeakPolarHBondContact CA-OG 3.47Å; S92-S150 VanDerWaalsContact CB-OG 3.27Å; S92-S150 WeakPolarHBondContact CB-OG 3.33Å; S92-G152 VanDerWaalsContact OG-CA 3.22Å; S92-G152 WeakPolarHBondContact OG-CA 3.42Å
93P90.7Very high79.5Confident1 Ų145 Ų451%0.00630%0.295CS..PPolyproline II helixtrans-59.8135.5179.719.9-30.7000110.5R79 G80 L81 A91 F95 S150 V153 V155R79-P93 CarbonylContact O-C 3.48Å; R79-P93 VanDerWaalsContact O-CA 3.31Å; R79-P93 WeakPolarHBondContact O-CA 3.27Å; G80-P93 WeakPolarHBondContact O-CA 3.2Å; L81-P93 HydrophobicContact CD1-CB 4.12Å; A91-P93 WeakPolarHBondContact O-CD 2.99Å; P93-F95 HydrophobicContact CB-CE2 3.92Å; P93-F95 HydrophobicContact CB-CZ 4.2Å; P93-S150 WeakPolarHBondContact CD-OG 3.22Å; P93-S150 VanDerWaalsContact N-OG 3.14Å; P93-S150 PolarHBondContact O-N 3.21Å; P93-S150 VanDerWaalsContact O-N 3.17Å; P93-S150 PolarHBondContact O-OG 2.9Å; P93-V153 WeakPolarHBondContact CD-O 3.3Å; P93-V155 HydrophobicContact CB-CG2 4.4Å; P93-V155 HydrophobicContact CG-CG2 3.91Å
94A93.8Very high80.3Confident13 Ų1345 Ų4511%0.10730%0.301CS..EExtended strand (participates in β ladder)trans-136.7137.2176.300000109.7R79 S92 A148 T149R79-A94 HydrophobicContact CB-CB 4.48Å; R79-A94 PolarHBondContact N-O 2.8Å; R79-A94 PolarHBondContact O-N 2.93Å; S92-A94 PolarHBondContact O-N 2.81Å; A94-A148 CarbonylContact C-O 3.51Å; A94-A148 VanDerWaalsContact CA-O 3.24Å; A94-A148 WeakPolarHBondContact CA-O 3.36Å; A94-T149 HydrophobicContact CB-CG2 4.21Å
95F95.6Very high81.1Confident0 Ų043.7 Ų43.70%029%0.29CS..EExtended strand (participates in β ladder)trans-126.3122.2-176.3-55.6-92.6000109.3L75 G77 V78 L81 P93 L97 V119 L126 A127 A148 L174L75-F95 HydrophobicContact CD1-CB 4.36Å; L75-F95 HydrophobicContact CD1-CD1 4.25Å; G77-F95 WeakPolarHBondContact O-CA 3.34Å; V78-F95 HydrophobicContact CB-CD1 4.43Å; V78-F95 HydrophobicContact CG1-CD1 3.96Å; V78-F95 HydrophobicContact CG1-CE1 3.67Å; V78-F95 HydrophobicContact CG1-CZ 4.49Å; V78-F95 HydrophobicContact CG2-CD1 3.94Å; V78-F95 HydrophobicContact CG2-CE1 4.21Å; L81-F95 HydrophobicContact CD1-CE1 4.45Å; L81-F95 HydrophobicContact CD1-CZ 3.98Å; P93-F95 HydrophobicContact CB-CE2 3.92Å; P93-F95 HydrophobicContact CB-CZ 4.2Å; F95-L97 HydrophobicContact CB-CD2 4.46Å; F95-L97 HydrophobicContact CB-CG 4.49Å; F95-V119 HydrophobicContact CB-CG2 4.32Å; F95-V119 HydrophobicContact CD1-CG1 4.2Å; F95-V119 HydrophobicContact CD2-CB 4.14Å; F95-V119 HydrophobicContact CD2-CG1 3.97Å; F95-V119 HydrophobicContact CD2-CG2 4.24Å; F95-V119 HydrophobicContact CE1-CG1 4.24Å; F95-V119 HydrophobicContact CE2-CB 4.36Å; F95-V119 HydrophobicContact CE2-CG1 3.97Å; F95-V119 HydrophobicContact CG-CG1 4.08Å; F95-V119 HydrophobicContact CG-CG2 4.33Å; F95-V119 HydrophobicContact CZ-CG1 4.12Å; F95-L126 HydrophobicContact CE2-CB 3.97Å; F95-L126 HydrophobicContact CE2-CD1 4.46Å; F95-L126 HydrophobicContact CZ-CB 4.23Å; F95-L126 HydrophobicContact CZ-CD1 3.88Å; F95-A127 HydrophobicContact CD2-CB 3.6Å; F95-A127 HydrophobicContact CE2-CB 3.77Å; F95-A148 HydrophobicContact CB-CB 4.45Å; F95-A148 PolarHBondContact N-O 3.4Å; F95-A148 PolarHBondContact O-N 2.9Å; F95-L174 HydrophobicContact CD1-CD1 3.87Å; F95-L174 HydrophobicContact CE1-CD1 3.65Å; F95-L174 HydrophobicContact CE1-CD2 4.13Å; F95-L174 HydrophobicContact CZ-CD2 4.39Å
96D96.3Very high81.8Confident41 Ų4137.3 Ų37.322%0.21926%0.26CS..EExtended strand (participates in β ladder)trans-91.4119.2171.8-62-39.4000108.7V76 G77 R79V76-D96 HydrophobicContact CB-CB 4.29Å; V76-D96 PolarHBondContact N-O 2.65Å; G77-D96 PolarHBondContact N-O 3.09Å; G77-D96 PolarHBondContact O-N 3.02Å; R79-D96 IonicContact CZ-OD1 2.85Å; R79-D96 IonicContact CZ-OD2 3.76Å; R79-D96 IonicContact NH1-OD1 3.36Å; R79-D96 IonicContact NH1-OD2 3.86Å; R79-D96 PolarHBondContact NH1-OD2 2.87Å; R79-D96 VanDerWaalsContact NH2-CG 3.28Å; R79-D96 IonicContact NH2-OD1 2.72Å; R79-D96 PolarHBondContact NH2-OD1 2.85Å; R79-D96 IonicContact NH2-OD2 2.82Å; R79-D96 PolarHBondContact NH2-OD2 2.9Å
97L96.7Very high82.5Confident3 Ų339.4 Ų39.42%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-119.3139.9-175.8-56.8175.2000110.1V73 E74 L75 F95 V117 V119 A145 V146 I176V73-L97 HydrophobicContact CG2-CB 4.32Å; V73-L97 HydrophobicContact CG2-CD2 4.27Å; E74-L97 WeakPolarHBondContact O-CA 3.35Å; L75-L97 HydrophobicContact CB-CD2 4.47Å; L75-L97 HydrophobicContact CD1-CD2 3.6Å; F95-L97 HydrophobicContact CB-CD2 4.46Å; F95-L97 HydrophobicContact CB-CG 4.49Å; L97-V117 HydrophobicContact CD1-CG1 3.7Å; L97-V119 HydrophobicContact CD1-CG2 3.94Å; L97-A145 WeakPolarHBondContact O-CA 3.1Å; L97-V146 HydrophobicContact CB-CB 4.37Å; L97-V146 PolarHBondContact N-O 3.31Å; L97-V146 PolarHBondContact O-N 2.93Å; L97-I176 HydrophobicContact CD1-CD1 4.35Å; L97-I176 HydrophobicContact CD1-CG2 4.09Å; L97-I176 HydrophobicContact CD2-CD1 3.69Å
98L96.6Very high83.8Confident56 Ų5634.1 Ų34.129%0.29324%0.242SC..EExtended strand (participates in β ladder)trans-109.7114.6165-72.7171.7000109.1V73 E74 V76 T143 A145V73-L98 CarbonylContact C-O 3.54Å; V73-L98 WeakPolarHBondContact CA-O 3.12Å; E74-L98 HydrophobicContact CB-CB 4.32Å; E74-L98 PolarHBondContact N-O 2.83Å; E74-L98 PolarHBondContact O-N 2.84Å; V76-L98 HydrophobicContact CG2-CB 4.08Å; V76-L98 HydrophobicContact CG2-CD1 3.43Å; V76-L98 VanDerWaalsContact CG2-CD1 3.43Å; V76-L98 HydrophobicContact CG2-CG 3.51Å; L98-T143 HydrophobicContact CB-CG2 4.03Å; L98-T143 HydrophobicContact CD2-CG2 3.77Å; L98-T143 HydrophobicContact CG-CG2 4.35Å; L98-A145 HydrophobicContact CD2-CB 3.94Å
99L95.6Very high85.3Confident0 Ų032.8 Ų32.80%021%0.214CC..EExtended strand (participates in β ladder)trans-94.6117.4174.4-61.6171.7000108.6V73 V117 T131 T143 V144 V146 L178 W190V73-L99 HydrophobicContact CB-CD2 3.75Å; V73-L99 HydrophobicContact CG2-CD2 3.61Å; L99-V117 HydrophobicContact CD1-CG2 4.03Å; L99-T131 HydrophobicContact CD1-CG2 3.4Å; L99-T143 CarbonylContact O-C 3.6Å; L99-T143 VanDerWaalsContact O-CA 3.29Å; L99-T143 WeakPolarHBondContact O-CA 3.34Å; L99-V144 HydrophobicContact CB-CB 4.4Å; L99-V144 PolarHBondContact N-O 2.81Å; L99-V144 PolarHBondContact O-N 3.02Å; L99-V146 HydrophobicContact CD1-CG2 3.64Å; L99-V146 HydrophobicContact CG-CG2 4.32Å; L99-L178 HydrophobicContact CD1-CD1 4.01Å; L99-L178 HydrophobicContact CD1-CD2 4.11Å; L99-W190 HydrophobicContact CD2-CH2 4.08Å; L99-W190 HydrophobicContact CD2-CZ3 4.11Å
100R95.5Very high86.6Confident105 Ų10530.8 Ų30.840%0.39619%0.192SC..EExtended strand (participates in β ladder)trans-98.3125.4172-173.9169.2-179.2-72.1-22.7108.6S71 S72 D102 A142S71-R100 CarbonylContact C-O 3.47Å; S71-R100 VanDerWaalsContact CA-O 3.28Å; S71-R100 WeakPolarHBondContact CA-O 3.31Å; S72-R100 PolarHBondContact N-O 3.04Å; S72-R100 PolarHBondContact O-N 2.97Å; R100-D102 IonicContact CZ-OD1 3.05Å; R100-D102 IonicContact CZ-OD2 3.19Å; R100-D102 IonicContact NH1-OD1 3.41Å; R100-D102 PolarHBondContact NH1-OD1 3.42Å; R100-D102 IonicContact NH1-OD2 3.31Å; R100-D102 PolarHBondContact NH1-OD2 2.88Å; R100-D102 IonicContact NH2-OD1 3.39Å; R100-D102 PolarHBondContact NH2-OD1 3.33Å; R100-D102 IonicContact NH2-OD2 2.63Å; R100-A142 WeakPolarHBondContact CA-O 3.5Å
101L93Very high87.8Confident0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-125.3124.3-174.3-59169.4000108.4I69 S70 F134 L136 S141 A142 V144 L178I69-L101 HydrophobicContact CG2-CB 4.06Å; I69-L101 HydrophobicContact CG2-CD2 4.17Å; S70-L101 WeakPolarHBondContact O-CA 3.37Å; L101-F134 HydrophobicContact CD1-CD1 4.12Å; L101-F134 HydrophobicContact CD1-CD2 4.39Å; L101-F134 HydrophobicContact CD1-CE1 3.48Å; L101-F134 VanDerWaalsContact CD1-CE1 3.48Å; L101-F134 HydrophobicContact CD1-CE2 3.8Å; L101-F134 HydrophobicContact CD1-CZ 3.3Å; L101-L136 HydrophobicContact CB-CD1 3.92Å; L101-S141 CarbonylContact O-C 3.55Å; L101-S141 WeakPolarHBondContact O-CA 3.43Å; L101-A142 PolarHBondContact N-O 3.5Å; L101-A142 PolarHBondContact O-N 2.9Å; L101-V144 HydrophobicContact CD1-CG2 4.24Å; L101-L178 HydrophobicContact CD2-CD2 4.33Å
102D92.2Very high88.6Confident38 Ų3835.4 Ų35.420%0.20320%0.199CC..EExtended strand (participates in β ladder)trans-119.5120.2-175.2-67-79.7000110I69 S70 R100 G104 S141I69-D102 WeakPolarHBondContact CA-O 3.42Å; S70-D102 PolarHBondContact N-O 2.88Å; S70-D102 PolarHBondContact O-N 3.47Å; R100-D102 IonicContact CZ-OD1 3.05Å; R100-D102 IonicContact CZ-OD2 3.19Å; R100-D102 IonicContact NH1-OD1 3.41Å; R100-D102 PolarHBondContact NH1-OD1 3.42Å; R100-D102 IonicContact NH1-OD2 3.31Å; R100-D102 PolarHBondContact NH1-OD2 2.88Å; R100-D102 IonicContact NH2-OD1 3.39Å; R100-D102 PolarHBondContact NH2-OD1 3.33Å; R100-D102 IonicContact NH2-OD2 2.63Å; D102-G104 PolarHBondContact O-N 3.11Å; D102-S141 WeakPolarHBondContact OD1-CB 3.35Å
103N89.8Confident88.9Confident3 Ų340.9 Ų40.92%0.01622%0.218CC..EExtended strand (participates in β ladder)trans-87106170.6178.217.8000109.6D105 G108 Q110 L136 G137 R139 S140N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 WeakPolarHBondContact OD1-CB 3.5Å; N103-D105 PolarHBondContact OD1-N 2.81Å; N103-G108 PolarHBondContact ND2-O 3.36Å; N103-Q110 PolarHBondContact OD1-NE2 2.81Å; N103-L136 HydrophobicContact CB-CB 3.64Å; N103-L136 HydrophobicContact CB-CD1 4.11Å; N103-L136 HydrophobicContact CB-CG 4.49Å; N103-L136 PolarHBondContact ND2-O 3.48Å; N103-G137 PolarHBondContact ND2-O 3.11Å; N103-R139 WeakPolarHBondContact O-CA 3.37Å; N103-R139 PolarHBondContact O-N 2.92Å; N103-S140 PolarHBondContact N-O 3.01Å
104G84.1Confident88.8Confident32 Ų3241.1 Ų41.133%0.3322%0.222SC..  trans-76-13.2176.200000114.4K67 D102K67-G104 VanDerWaalsContact CD-O 3.31Å; K67-G104 WeakPolarHBondContact CD-O 3.32Å; D102-G104 PolarHBondContact O-N 3.11Å
105D82.2Confident88.7Confident17 Ų1741.4 Ų41.49%0.09123%0.226CC..  trans-67.7136.7-176.3-162.8-67.1000111.2N66 N103 C107 G108 A138 R139N66-D105 PolarHBondContact N-OD2 2.79Å; N103-D105 VanDerWaalsContact C-N 3.28Å; N103-D105 PolarHBondContact O-N 3.46Å; N103-D105 WeakPolarHBondContact OD1-CB 3.5Å; N103-D105 PolarHBondContact OD1-N 2.81Å; D105-C107 PolarHBondContact OD1-N 3.07Å; D105-G108 PolarHBondContact OD1-N 2.72Å; D105-A138 CarbonylContact O-C 3.43Å; D105-A138 WeakPolarHBondContact O-CA 3.08Å; D105-R139 PolarHBondContact O-N 3.16Å
106A74.9Confident88.7Confident26 Ų2643.9 Ų43.922%0.21524%0.243CC..SBendtrans-86.5-18.3-175.500000113.9I64I64-A106 HydrophobicContact CG2-CB 4.03Å; I64-A106 VanDerWaalsContact O-CB 3.27Å; I64-A106 WeakPolarHBondContact O-CB 3.48Å; I64-A106 PolarHBondContact O-N 3.11Å
107C72.6Confident88.6Confident87 Ų8741.9 Ų41.959%0.58823%0.232SC*.SBendtrans-130.3-12.6-170.3-63.70000114F65 D105F65-C107 HydrophobicContact CD1-CB 4.06Å; F65-C107 HydrophobicContact CE1-CB 3.56Å; D105-C107 PolarHBondContact OD1-N 3.07Å
108G80.3Confident88.6Confident26 Ų2645.7 Ų45.727%0.26825%0.249SC..  trans-112.5126.5-178.800000113.3N103 D105N103-G108 PolarHBondContact ND2-O 3.36Å; D105-G108 PolarHBondContact OD1-N 2.72Å
109D86.8Confident88.6Confident61 Ų6143 Ų4333%0.32624%0.235SC..  trans-72.4136.4160.1-75.211.3000109.3Y111 R135 L136 G137 A138D109-Y111 HydrophobicContact CB-CE2 3.69Å; D109-R135 IonicContact OD2-CZ 2.76Å; D109-R135 IonicContact OD2-NE 3.55Å; D109-R135 PolarHBondContact OD2-NE 3.34Å; D109-R135 IonicContact OD2-NH2 2.72Å; D109-R135 PolarHBondContact OD2-NH2 3.07Å; D109-L136 CarbonylContact C-O 3.55Å; D109-L136 WeakPolarHBondContact CA-O 3.28Å; D109-G137 VanDerWaalsContact OD1-CA 3.26Å; D109-G137 WeakPolarHBondContact OD1-CA 3.27Å; D109-A138 PolarHBondContact OD1-N 3.16Å
110Q85.2Confident88.7Confident29 Ų2943.6 Ų43.614%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-108.7129.5177.8-61.8-158.651.400110.5K67 I69 N103 R135 L136K67-Q110 PolarHBondContact O-NE2 2.68Å; I69-Q110 HydrophobicContact CD1-CB 4.04Å; I69-Q110 HydrophobicContact CG1-CB 4.41Å; N103-Q110 PolarHBondContact OD1-NE2 2.81Å; Q110-R135 CarbonylContact O-C 3.58Å; Q110-R135 WeakPolarHBondContact O-CA 3.05Å; Q110-L136 PolarHBondContact N-O 3.07Å; Q110-L136 PolarHBondContact O-N 3.02Å
111Y86.9Confident88.7Confident127 Ų12738.7 Ų38.750%0.49822%0.22SC..EExtended strand (participates in β ladder)trans-116.2137.2-179-58.4-103.1000109.2D109 R135D109-Y111 HydrophobicContact CB-CE2 3.69Å; Y111-R135 HydrophobicContact CD1-CB 3.87Å; Y111-R135 HydrophobicContact CD1-CG 3.69Å; Y111-R135 HydrophobicContact CE1-CB 4.04Å; Y111-R135 HydrophobicContact CE1-CG 3.45Å; Y111-R135 VanDerWaalsContact CE1-CG 3.45Å; Y111-R135 HydrophobicContact CG-CG 4.37Å; Y111-R135 PolarHBondContact OH-NE 2.97Å; Y111-R135 VanDerWaalsContact OH-NE 3.09Å; Y111-R135 PolarHBondContact OH-NH1 3.21Å; Y111-R135 PolarHBondContact OH-NH2 3.09Å
112R87.9Confident88.7Confident25 Ų2541.7 Ų41.79%0.09425%0.245CC..EExtended strand (participates in β ladder)trans-131.9135.8171.1-60.2-65.8179.6-82.5-3.2107.7I69 G114 G133 F134 L180 E186I69-R112 HydrophobicContact CD1-CG 4.38Å; R112-G114 PolarHBondContact O-N 2.85Å; R112-G133 CarbonylContact O-C 3.54Å; R112-G133 WeakPolarHBondContact O-CA 3.27Å; R112-F134 HydrophobicContact CB-CD1 4.39Å; R112-F134 HydrophobicContact CB-CE1 3.83Å; R112-F134 HydrophobicContact CB-CE2 3.98Å; R112-F134 HydrophobicContact CB-CZ 3.59Å; R112-F134 HydrophobicContact CG-CE1 4.29Å; R112-F134 HydrophobicContact CG-CE2 3.81Å; R112-F134 HydrophobicContact CG-CZ 3.54Å; R112-F134 PolarHBondContact N-O 3.24Å; R112-F134 PolarHBondContact O-N 3.15Å; R112-L180 HydrophobicContact CG-CB 4.5Å; R112-L180 HydrophobicContact CG-CD1 4.28Å; R112-E186 IonicContact CZ-OE1 2.65Å; R112-E186 IonicContact CZ-OE2 3.16Å; R112-E186 VanDerWaalsContact CZ-OE2 3.31Å; R112-E186 IonicContact NE-OE1 3.64Å; R112-E186 IonicContact NE-OE2 3.33Å; R112-E186 PolarHBondContact NE-OE2 2.82Å; R112-E186 VanDerWaalsContact NH2-CD 3.27Å; R112-E186 IonicContact NH2-OE1 2.68Å; R112-E186 PolarHBondContact NH2-OE1 2.74Å; R112-E186 IonicContact NH2-OE2 3.07Å; R112-E186 PolarHBondContact NH2-OE2 2.87Å
113E89.2Confident88.8Confident168 Ų16842.7 Ų42.779%0.78526%0.264SS*.EExtended strand (participates in β ladder)trans-72.1-8.1179.2-65.3-179.4169.300112.6G133E113-G133 VanDerWaalsContact O-CA 3.27Å; E113-G133 WeakPolarHBondContact O-CA 3.33Å; E113-G133 PolarHBondContact O-N 2.86Å
114G90.5Very high88.9Confident7 Ų745.2 Ų45.27%0.07228%0.28CS..EExtended strand (participates in β ladder)trans119.6-160.1-172.800000108.9R112 T131 G181R112-G114 PolarHBondContact O-N 2.85Å; G114-T131 VanDerWaalsContact CA-O 3.22Å; G114-T131 WeakPolarHBondContact CA-O 3.13Å; G114-G181 PolarHBondContact O-N 2.95Å
115G91.9Very high89.4Confident19 Ų1946.9 Ų46.920%0.19629%0.285CS..EExtended strand (participates in β ladder)trans178.1179.7-171.600000113.2S130 T131 Q179G115-S130 CarbonylContact O-C 3.51Å; G115-S130 WeakPolarHBondContact O-CA 3.25Å; G115-S130 WeakPolarHBondContact O-CB 3.17Å; G115-T131 WeakPolarHBondContact CA-OG1 3.34Å; G115-T131 PolarHBondContact N-O 3.37Å; G115-T131 PolarHBondContact N-OG1 2.87Å; G115-T131 PolarHBondContact O-N 2.92Å; G115-T131 PolarHBondContact O-OG1 2.97Å; G115-Q179 CarbonylContact C-O 3.6Å; G115-Q179 WeakPolarHBondContact CA-O 2.97Å
116S94.1Very high89.9Confident51 Ų5146.6 Ų46.636%0.35728%0.283SS..EExtended strand (participates in β ladder)trans-110.7140.8176.162.80000110.5G129 Q179S116-G129 WeakPolarHBondContact CA-O 3.37Å; S116-Q179 PolarHBondContact N-O 3.48Å; S116-Q179 PolarHBondContact O-N 3.28Å
117V95.7Very high90.9Very high0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-110.7139.1170.5178.40000108.8L97 L99 H128 G129 T131 V146 I176 G177 L178L97-V117 HydrophobicContact CD1-CG1 3.7Å; L99-V117 HydrophobicContact CD1-CG2 4.03Å; V117-H128 CarbonylContact O-C 3.58Å; V117-H128 WeakPolarHBondContact O-CA 3.38Å; V117-G129 PolarHBondContact N-O 3.03Å; V117-G129 PolarHBondContact O-N 2.78Å; V117-T131 HydrophobicContact CG2-CG2 3.98Å; V117-V146 HydrophobicContact CB-CG1 4.12Å; V117-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG2-CG2 4.28Å; V117-I176 HydrophobicContact CG1-CG2 3.99Å; V117-G177 CarbonylContact C-O 3.51Å; V117-G177 VanDerWaalsContact CA-O 3.31Å; V117-G177 WeakPolarHBondContact CA-O 3.5Å; V117-L178 HydrophobicContact CG2-CD1 3.62Å
118K96Very high92Very high83 Ų8345.8 Ų45.836%0.36127%0.266SS..EExtended strand (participates in β ladder)trans-126.4126.9174.6-178.4-176.1-174.8-166.90108.6S120 I176 G177K118-S120 WeakPolarHBondContact CE-OG 3.31Å; K118-I176 WeakPolarHBondContact O-CA 3.43Å; K118-G177 PolarHBondContact N-O 3.18Å; K118-G177 PolarHBondContact O-N 3.34Å
119V97Very high92.7Very high0 Ų045.1 Ų45.10%026%0.259CS..EExtended strand (participates in β ladder)trans-105.9127.4171.6-175.60000107.8F95 L97 L126 A127 A148 L174F95-V119 HydrophobicContact CB-CG2 4.32Å; F95-V119 HydrophobicContact CD1-CG1 4.2Å; F95-V119 HydrophobicContact CD2-CB 4.14Å; F95-V119 HydrophobicContact CD2-CG1 3.97Å; F95-V119 HydrophobicContact CD2-CG2 4.24Å; F95-V119 HydrophobicContact CE1-CG1 4.24Å; F95-V119 HydrophobicContact CE2-CB 4.36Å; F95-V119 HydrophobicContact CE2-CG1 3.97Å; F95-V119 HydrophobicContact CG-CG1 4.08Å; F95-V119 HydrophobicContact CG-CG2 4.33Å; F95-V119 HydrophobicContact CZ-CG1 4.12Å; L97-V119 HydrophobicContact CD1-CG2 3.94Å; V119-L126 PolarHBondContact O-N 3.18Å; V119-A127 HydrophobicContact CB-CB 4.36Å; V119-A127 PolarHBondContact N-O 3.36Å; V119-A127 PolarHBondContact O-N 2.87Å; V119-A148 HydrophobicContact CG2-CB 3.91Å; V119-L174 HydrophobicContact CG1-CB 4.39Å; V119-L174 HydrophobicContact CG1-CD1 4.29Å; V119-L174 HydrophobicContact CG1-CD2 3.94Å; V119-L174 HydrophobicContact CG1-CG 4.46Å
120S96Very high93.1Very high11 Ų1146.5 Ų46.58%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-133.2155.4-179.4-47.50000110.5K118 V124 D175K118-S120 WeakPolarHBondContact CE-OG 3.31Å; S120-V124 CarbonylContact C-O 3.51Å; S120-V124 WeakPolarHBondContact CA-O 3.33Å; S120-V124 VanDerWaalsContact CB-O 3.31Å; S120-V124 WeakPolarHBondContact CB-O 3.48Å; S120-D175 PolarHBondContact N-O 3.05Å; S120-D175 PolarHBondContact O-N 2.85Å
121Y95.4Very high93.4Very high2 Ų245.5 Ų45.51%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-130128.6171.8-168.9-83.2000109G123 V124 L159 M163 E166 A172 Q173 L174Y121-G123 PolarHBondContact O-N 2.79Å; Y121-G123 VanDerWaalsContact O-N 3.11Å; Y121-V124 PolarHBondContact N-O 2.94Å; Y121-V124 WeakPolarHBondContact O-CB 3.49Å; Y121-V124 PolarHBondContact O-N 3.38Å; Y121-L159 HydrophobicContact CD1-CD1 3.9Å; Y121-L159 HydrophobicContact CD1-CG 4.48Å; Y121-M163 HydrophobicContact CD1-CB 4.13Å; Y121-M163 HydrophobicContact CD1-CG 4.42Å; Y121-M163 HydrophobicContact CD2-CG 4.01Å; Y121-M163 HydrophobicContact CD2-SD 3.87Å; Y121-M163 HydrophobicContact CE1-CB 3.71Å; Y121-M163 HydrophobicContact CE1-CG 4.1Å; Y121-M163 HydrophobicContact CE2-CB 4.18Å; Y121-M163 HydrophobicContact CE2-CG 3.63Å; Y121-M163 HydrophobicContact CE2-SD 4.11Å; Y121-M163 HydrophobicContact CG-CG 4.38Å; Y121-M163 HydrophobicContact CG-SD 4.09Å; Y121-E166 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E166 VanDerWaalsContact CZ-OE2 3.27Å; Y121-E166 WeakPolarHBondContact OH-CB 3.26Å; Y121-E166 PolarHBondContact OH-OE2 2.97Å; Y121-A172 HydrophobicContact CE2-CB 4.02Å; Y121-A172 WeakPolarHBondContact OH-CA 3.39Å; Y121-A172 WeakPolarHBondContact OH-CB 3.2Å; Y121-Q173 WeakPolarHBondContact CD2-O 2.79Å; Y121-Q173 WeakPolarHBondContact CE2-O 3.26Å; Y121-L174 HydrophobicContact CD2-CD2 3.87Å
122A93.8Very high93.7Very high64 Ų6443.2 Ų43.253%0.52927%0.27SS..THydrogen-bonded Turntrans48.438.4-175.700000113.1V124 L159 L162A122-V124 VanDerWaalsContact C-N 3.28Å; A122-V124 PolarHBondContact O-N 2.72Å; A122-L159 HydrophobicContact CB-CD1 4.27Å; A122-L162 HydrophobicContact CB-CD2 4.28Å
123G93.6Very high93.8Very high58 Ų5844.2 Ų44.260%0.59829%0.288SS*.THydrogen-bonded Turntrans79-6.1-177.400000116.2Y121Y121-G123 PolarHBondContact O-N 2.79Å; Y121-G123 VanDerWaalsContact O-N 3.11Å
124V93.3Very high93.9Very high57 Ų5737.4 Ų37.435%0.34526%0.256SS..EExtended strand (participates in β ladder)trans-88.7123.1177.7-175.90000110S120 Y121 A122 L126 L159S120-V124 CarbonylContact C-O 3.51Å; S120-V124 WeakPolarHBondContact CA-O 3.33Å; S120-V124 VanDerWaalsContact CB-O 3.31Å; S120-V124 WeakPolarHBondContact CB-O 3.48Å; Y121-V124 PolarHBondContact N-O 2.94Å; Y121-V124 WeakPolarHBondContact O-CB 3.49Å; Y121-V124 PolarHBondContact O-N 3.38Å; A122-V124 VanDerWaalsContact C-N 3.28Å; A122-V124 PolarHBondContact O-N 2.72Å; V124-L126 PolarHBondContact O-N 3.18Å; V124-L159 HydrophobicContact CB-CD1 4.45Å; V124-L159 HydrophobicContact CB-CD2 3.62Å; V124-L159 HydrophobicContact CG1-CD2 3.71Å; V124-L159 HydrophobicContact CG2-CD1 4.17Å; V124-L159 HydrophobicContact CG2-CD2 4.05Å
125P93.5Very high93.9Very high67 Ų6744.3 Ų44.344%0.43528%0.28SS..EExtended strand (participates in β ladder)trans-62.5126.9175.124.2-31.5000111.2
126L93.6Very high93.9Very high11 Ų1143.5 Ų43.56%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-102.6-42.1175.5-63.4-173.6000111.9L81 F95 V119 V124 S150 V155 L159 L174L81-L126 HydrophobicContact CD1-CD1 4.43Å; F95-L126 HydrophobicContact CE2-CB 3.97Å; F95-L126 HydrophobicContact CE2-CD1 4.46Å; F95-L126 HydrophobicContact CZ-CB 4.23Å; F95-L126 HydrophobicContact CZ-CD1 3.88Å; V119-L126 PolarHBondContact O-N 3.18Å; V124-L126 PolarHBondContact O-N 3.18Å; L126-S150 WeakPolarHBondContact O-CB 3.37Å; L126-V155 HydrophobicContact CD2-CG1 4.32Å; L126-V155 HydrophobicContact CD2-CG2 4.31Å; L126-L159 HydrophobicContact CD2-CD2 3.74Å; L126-L174 HydrophobicContact CD1-CD2 3.99Å
127A95.2Very high93.7Very high1 Ų141.9 Ų41.91%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-152.7156.8-175.500000112.1F95 V119 A148 T149F95-A127 HydrophobicContact CD2-CB 3.6Å; F95-A127 HydrophobicContact CE2-CB 3.77Å; V119-A127 HydrophobicContact CB-CB 4.36Å; V119-A127 PolarHBondContact N-O 3.36Å; V119-A127 PolarHBondContact O-N 2.87Å; A127-A148 HydrophobicContact CB-CB 3.99Å; A127-T149 WeakPolarHBondContact CA-O 3.21Å
128H96.2Very high93.3Very high95 Ų9543.5 Ų43.544%0.4428%0.276SS..EExtended strand (participates in β ladder)trans-127.5146.5176.2-68.2-87.4000110.3V117 A148 T149V117-H128 CarbonylContact O-C 3.58Å; V117-H128 WeakPolarHBondContact O-CA 3.38Å; H128-A148 CarbonylContact O-C 3.58Å; H128-A148 VanDerWaalsContact O-CA 3.3Å; H128-A148 WeakPolarHBondContact O-CA 3.12Å; H128-T149 PolarHBondContact N-O 2.87Å; H128-T149 PolarHBondContact O-N 2.93Å
129G95.3Very high92.9Very high11 Ų1147.7 Ų47.711%0.11329%0.29CS..EExtended strand (participates in β ladder)trans-143.6177.8176.300000110.7S116 V117S116-G129 WeakPolarHBondContact CA-O 3.37Å; V117-G129 PolarHBondContact N-O 3.03Å; V117-G129 PolarHBondContact O-N 2.78Å
130S94.3Very high92.6Very high91 Ų9150.3 Ų50.364%0.63631%0.308SS*.EExtended strand (participates in β ladder)trans-134.5139.7174.6-58.50000110.5G115G115-S130 CarbonylContact O-C 3.51Å; G115-S130 WeakPolarHBondContact O-CA 3.25Å; G115-S130 WeakPolarHBondContact O-CB 3.17Å
131T93.2Very high92.4Very high8 Ų852.9 Ų52.95%0.04933%0.326CS..EExtended strand (participates in β ladder)trans-87.9137.4169.951.20000109.5L99 G114 G115 V117 V144 V146 L178L99-T131 HydrophobicContact CD1-CG2 3.4Å; G114-T131 VanDerWaalsContact CA-O 3.22Å; G114-T131 WeakPolarHBondContact CA-O 3.13Å; G115-T131 WeakPolarHBondContact CA-OG1 3.34Å; G115-T131 PolarHBondContact N-O 3.37Å; G115-T131 PolarHBondContact N-OG1 2.87Å; G115-T131 PolarHBondContact O-N 2.92Å; G115-T131 PolarHBondContact O-OG1 2.97Å; V117-T131 HydrophobicContact CG2-CG2 3.98Å; T131-V144 HydrophobicContact CG2-CG1 4.24Å; T131-V146 HydrophobicContact CG2-CG2 3.44Å; T131-V146 VanDerWaalsContact CG2-CG2 3.44Å; T131-L178 HydrophobicContact CG2-CD1 3.72Å
132P91.8Very high92.3Very high79 Ų7954.1 Ų54.151%0.51334%0.337SS..EExtended strand (participates in β ladder)trans-64.1158166.129.7-36.2000110.5F134 V144P132-F134 WeakPolarHBondContact O-CD1 3.31Å; P132-V144 HydrophobicContact CG-CG1 3.83Å
133G90.9Very high92.4Very high46 Ų4655.2 Ų55.247%0.47434%0.337SS..EExtended strand (participates in β ladder)trans-61.9145.4167.800000111.9R112 E113R112-G133 CarbonylContact O-C 3.54Å; R112-G133 WeakPolarHBondContact O-CA 3.27Å; E113-G133 VanDerWaalsContact O-CA 3.27Å; E113-G133 WeakPolarHBondContact O-CA 3.33Å; E113-G133 PolarHBondContact O-N 2.86Å
134F90.6Very high92.4Very high25 Ų2553 Ų5311%0.1131%0.312CS..EExtended strand (participates in β ladder)trans-145.2159.4-178.461.3-96000111.2I69 L101 R112 P132 L136 V144 L180I69-F134 HydrophobicContact CD1-CE2 4.42Å; L101-F134 HydrophobicContact CD1-CD1 4.12Å; L101-F134 HydrophobicContact CD1-CD2 4.39Å; L101-F134 HydrophobicContact CD1-CE1 3.48Å; L101-F134 VanDerWaalsContact CD1-CE1 3.48Å; L101-F134 HydrophobicContact CD1-CE2 3.8Å; L101-F134 HydrophobicContact CD1-CZ 3.3Å; R112-F134 HydrophobicContact CB-CD1 4.39Å; R112-F134 HydrophobicContact CB-CE1 3.83Å; R112-F134 HydrophobicContact CB-CE2 3.98Å; R112-F134 HydrophobicContact CB-CZ 3.59Å; R112-F134 HydrophobicContact CG-CE1 4.29Å; R112-F134 HydrophobicContact CG-CE2 3.81Å; R112-F134 HydrophobicContact CG-CZ 3.54Å; R112-F134 PolarHBondContact N-O 3.24Å; R112-F134 PolarHBondContact O-N 3.15Å; P132-F134 WeakPolarHBondContact O-CD1 3.31Å; F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CD2 4.4Å; F134-L136 HydrophobicContact CD2-CG 3.88Å; F134-L136 HydrophobicContact CE2-CD1 3.92Å; F134-L136 HydrophobicContact CE2-CG 3.96Å; F134-V144 HydrophobicContact CD1-CG2 4.31Å; F134-L180 HydrophobicContact CE1-CD1 4.31Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CZ-CD1 3.84Å; F134-L180 HydrophobicContact CZ-CD2 4.24Å
135R90.8Very high92.6Very high151 Ų15153.9 Ų53.957%0.5732%0.324SS*.EExtended strand (participates in β ladder)trans-122.4124172.7177.7-171.3-177.7159.6-3.8108.3D109 Q110 Y111D109-R135 IonicContact OD2-CZ 2.76Å; D109-R135 IonicContact OD2-NE 3.55Å; D109-R135 PolarHBondContact OD2-NE 3.34Å; D109-R135 IonicContact OD2-NH2 2.72Å; D109-R135 PolarHBondContact OD2-NH2 3.07Å; Q110-R135 CarbonylContact O-C 3.58Å; Q110-R135 WeakPolarHBondContact O-CA 3.05Å; Y111-R135 HydrophobicContact CD1-CB 3.87Å; Y111-R135 HydrophobicContact CD1-CG 3.69Å; Y111-R135 HydrophobicContact CE1-CB 4.04Å; Y111-R135 HydrophobicContact CE1-CG 3.45Å; Y111-R135 VanDerWaalsContact CE1-CG 3.45Å; Y111-R135 HydrophobicContact CG-CG 4.37Å; Y111-R135 PolarHBondContact OH-NE 2.97Å; Y111-R135 VanDerWaalsContact OH-NE 3.09Å; Y111-R135 PolarHBondContact OH-NH1 3.21Å; Y111-R135 PolarHBondContact OH-NH2 3.09Å
136L91Very high92.7Very high2 Ų250.9 Ų50.91%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-102.1116.9169.6-62.4174.5000108.3I69 L101 N103 D109 Q110 F134 A142I69-L136 HydrophobicContact CD1-CD1 3.94Å; I69-L136 HydrophobicContact CG1-CD1 4.1Å; I69-L136 HydrophobicContact CG2-CD1 4.02Å; L101-L136 HydrophobicContact CB-CD1 3.92Å; N103-L136 HydrophobicContact CB-CB 3.64Å; N103-L136 HydrophobicContact CB-CD1 4.11Å; N103-L136 HydrophobicContact CB-CG 4.49Å; N103-L136 PolarHBondContact ND2-O 3.48Å; D109-L136 CarbonylContact C-O 3.55Å; D109-L136 WeakPolarHBondContact CA-O 3.28Å; Q110-L136 PolarHBondContact N-O 3.07Å; Q110-L136 PolarHBondContact O-N 3.02Å; F134-L136 HydrophobicContact CD2-CD1 4.34Å; F134-L136 HydrophobicContact CD2-CD2 4.4Å; F134-L136 HydrophobicContact CD2-CG 3.88Å; F134-L136 HydrophobicContact CE2-CD1 3.92Å; F134-L136 HydrophobicContact CE2-CG 3.96Å; L136-A142 HydrophobicContact CD2-CB 3.42Å; L136-A142 VanDerWaalsContact CD2-CB 3.42Å
137G90.6Very high92.8Very high18 Ų1854.5 Ų54.519%0.18632%0.324CS..PPolyproline II helixtrans-60.7163.7169.600000111.8N103 D109 R139 S140N103-G137 PolarHBondContact ND2-O 3.11Å; D109-G137 VanDerWaalsContact OD1-CA 3.26Å; D109-G137 WeakPolarHBondContact OD1-CA 3.27Å; G137-R139 PolarHBondContact O-N 3.5Å; G137-S140 VanDerWaalsContact O-CB 3.26Å; G137-S140 WeakPolarHBondContact O-CB 3.5Å; G137-S140 PolarHBondContact O-N 2.83Å; G137-S140 VanDerWaalsContact O-N 3.11Å; G137-S140 PolarHBondContact O-OG 3.39Å
138A87.4Confident92.9Very high33 Ų3354.4 Ų54.427%0.27332%0.324SS..THydrogen-bonded Turntrans-50.3132.2167.800000110.9D105 D109 S140D105-A138 CarbonylContact O-C 3.43Å; D105-A138 WeakPolarHBondContact O-CA 3.08Å; D109-A138 PolarHBondContact OD1-N 3.16Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-S140 PolarHBondContact O-OG 3.28Å; A138-S140 VanDerWaalsContact O-OG 3.11Å
139R86.5Confident92.8Very high172 Ų17252.2 Ų52.265%0.64932%0.317SS*.THydrogen-bonded Turntrans50.830.6-177.7-61.4-176.2171.3179.8-2114.9N103 D105 G137N103-R139 WeakPolarHBondContact O-CA 3.37Å; N103-R139 PolarHBondContact O-N 2.92Å; D105-R139 PolarHBondContact O-N 3.16Å; G137-R139 PolarHBondContact O-N 3.5Å
140S91.3Very high92.6Very high54 Ų5452.1 Ų52.138%0.37832%0.315SS..  trans-111.1158.5-178.4-58.90000111.5N103 G137 A138N103-S140 PolarHBondContact N-O 3.01Å; G137-S140 VanDerWaalsContact O-CB 3.26Å; G137-S140 WeakPolarHBondContact O-CB 3.5Å; G137-S140 PolarHBondContact O-N 2.83Å; G137-S140 VanDerWaalsContact O-N 3.11Å; G137-S140 PolarHBondContact O-OG 3.39Å; A138-S140 PolarHBondContact O-N 2.91Å; A138-S140 PolarHBondContact O-OG 3.28Å; A138-S140 VanDerWaalsContact O-OG 3.11Å
141S92.3Very high92.2Very high65 Ų6554.4 Ų54.446%0.45532%0.32SS..EExtended strand (participates in β ladder)trans-125.8151.2176.269.90000110.5L101 D102L101-S141 CarbonylContact O-C 3.55Å; L101-S141 WeakPolarHBondContact O-CA 3.43Å; D102-S141 WeakPolarHBondContact OD1-CB 3.35Å
142A93.3Very high91.5Very high29 Ų2956.5 Ų56.524%0.2434%0.343CS..EExtended strand (participates in β ladder)trans-136150.9170.500000110R100 L101 L136R100-A142 WeakPolarHBondContact CA-O 3.5Å; L101-A142 PolarHBondContact N-O 3.5Å; L101-A142 PolarHBondContact O-N 2.9Å; L136-A142 HydrophobicContact CD2-CB 3.42Å; L136-A142 VanDerWaalsContact CD2-CB 3.42Å
143T95.3Very high91Very high87 Ų8757.6 Ų57.653%0.53435%0.348SS..EExtended strand (participates in β ladder)trans-111.2129170.5-53.10000108.5L98 L99L98-T143 HydrophobicContact CB-CG2 4.03Å; L98-T143 HydrophobicContact CD2-CG2 3.77Å; L98-T143 HydrophobicContact CG-CG2 4.35Å; L99-T143 CarbonylContact O-C 3.6Å; L99-T143 VanDerWaalsContact O-CA 3.29Å; L99-T143 WeakPolarHBondContact O-CA 3.34Å
144V94.6Very high90.7Very high12 Ų1256.3 Ų56.37%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-118.2118.8-178.2-179.90000108.2L99 L101 T131 P132 F134 V146L99-V144 HydrophobicContact CB-CB 4.4Å; L99-V144 PolarHBondContact N-O 2.81Å; L99-V144 PolarHBondContact O-N 3.02Å; L101-V144 HydrophobicContact CD1-CG2 4.24Å; T131-V144 HydrophobicContact CG2-CG1 4.24Å; P132-V144 HydrophobicContact CG-CG1 3.83Å; F134-V144 HydrophobicContact CD1-CG2 4.31Å; V144-V146 HydrophobicContact CG1-CG2 4.26Å
145A96Very high90.5Very high74 Ų7455.2 Ų55.261%0.61233%0.33SS*.EExtended strand (participates in β ladder)trans-78.9133172.100000110L97 L98L97-A145 WeakPolarHBondContact O-CA 3.1Å; L98-A145 HydrophobicContact CD2-CB 3.94Å
146V96.4Very high90.4Very high5 Ų551.4 Ų51.43%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-129.8127.9175.6-177.70000108.7L97 L99 V117 T131 V144L97-V146 HydrophobicContact CB-CB 4.37Å; L97-V146 PolarHBondContact N-O 3.31Å; L97-V146 PolarHBondContact O-N 2.93Å; L99-V146 HydrophobicContact CD1-CG2 3.64Å; L99-V146 HydrophobicContact CG-CG2 4.32Å; V117-V146 HydrophobicContact CB-CG1 4.12Å; V117-V146 HydrophobicContact CG2-CG1 3.98Å; V117-V146 HydrophobicContact CG2-CG2 4.28Å; T131-V146 HydrophobicContact CG2-CG2 3.44Å; T131-V146 VanDerWaalsContact CG2-CG2 3.44Å; V144-V146 HydrophobicContact CG1-CG2 4.26Å
147N95.7Very high90.2Very high86 Ų8657.6 Ų57.646%0.4635%0.354SS..EExtended strand (participates in β ladder)trans-99.8114.7167.2-17919.1000107.7
148A96.4Very high90.2Very high0 Ų064.4 Ų64.40%038%0.38CS..EExtended strand (participates in β ladder)trans-99.3124.917500000109.4A94 F95 V119 A127 H128A94-A148 CarbonylContact C-O 3.51Å; A94-A148 VanDerWaalsContact CA-O 3.24Å; A94-A148 WeakPolarHBondContact CA-O 3.36Å; F95-A148 HydrophobicContact CB-CB 4.45Å; F95-A148 PolarHBondContact N-O 3.4Å; F95-A148 PolarHBondContact O-N 2.9Å; V119-A148 HydrophobicContact CG2-CB 3.91Å; A127-A148 HydrophobicContact CB-CB 3.99Å; H128-A148 CarbonylContact O-C 3.58Å; H128-A148 VanDerWaalsContact O-CA 3.3Å; H128-A148 WeakPolarHBondContact O-CA 3.12Å
149T95Very high90.4Very high48 Ų4863.6 Ų63.629%0.29437%0.372SS..EExtended strand (participates in β ladder)trans-121.6155.6-178.556.70000111.6A94 A127 H128 D151A94-T149 HydrophobicContact CB-CG2 4.21Å; A127-T149 WeakPolarHBondContact CA-O 3.21Å; H128-T149 PolarHBondContact N-O 2.87Å; H128-T149 PolarHBondContact O-N 2.93Å; T149-D151 PolarHBondContact OG1-OD1 3.48Å
150S90.9Very high90.6Very high10 Ų1057.4 Ų57.47%0.0735%0.35CS..  trans-924.6178.851.50000114.6S92 P93 L126 G152 V153S92-S150 WeakPolarHBondContact CA-OG 3.47Å; S92-S150 VanDerWaalsContact CB-OG 3.27Å; S92-S150 WeakPolarHBondContact CB-OG 3.33Å; P93-S150 WeakPolarHBondContact CD-OG 3.22Å; P93-S150 VanDerWaalsContact N-OG 3.14Å; P93-S150 PolarHBondContact O-N 3.21Å; P93-S150 VanDerWaalsContact O-N 3.17Å; P93-S150 PolarHBondContact O-OG 2.9Å; L126-S150 WeakPolarHBondContact O-CB 3.37Å; S150-G152 PolarHBondContact O-N 3.45Å; S150-G152 VanDerWaalsContact O-N 3.13Å; S150-V153 WeakPolarHBondContact CB-O 3.49Å; S150-V153 WeakPolarHBondContact O-CB 3.39Å; S150-V153 WeakPolarHBondContact O-CG2 3.38Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 PolarHBondContact OG-O 3.44Å
151D85.2Confident90.6Very high139 Ų13962.9 Ų62.974%0.74336%0.362SS*.THydrogen-bonded Turntrans51.336.2-179.4-58-24.4000114.2T149T149-D151 PolarHBondContact OG1-OD1 3.48Å
152G80Confident90.7Very high51 Ų5163.2 Ų63.253%0.52636%0.358SS..THydrogen-bonded Turntrans97.3-8.4179.800000114.8S92 S150 G154S92-G152 VanDerWaalsContact OG-CA 3.22Å; S92-G152 WeakPolarHBondContact OG-CA 3.42Å; S150-G152 PolarHBondContact O-N 3.45Å; S150-G152 VanDerWaalsContact O-N 3.13Å; G152-G154 PolarHBondContact O-N 3.17Å
153V81.3Confident90.7Very high103 Ų10362 Ų6262%0.62435%0.347SS*.  trans-84.2109.8-176.4-176.20000110.2P93 S150P93-V153 WeakPolarHBondContact CD-O 3.3Å; S150-V153 WeakPolarHBondContact CB-O 3.49Å; S150-V153 WeakPolarHBondContact O-CB 3.39Å; S150-V153 WeakPolarHBondContact O-CG2 3.38Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 PolarHBondContact OG-O 3.44Å
154G83.6Confident90.5Very high18 Ų1858.9 Ų58.919%0.18633%0.329CS..PPolyproline II helixtrans-69.1165.7174.900000113.3G152G152-G154 PolarHBondContact O-N 3.17Å
155V87.8Confident90.5Very high2 Ų260.5 Ų60.51%0.01234%0.344CS..BIsolated β-bridgetrans-74.4130.4175.8-172.20000109.8L81 P93 L126 E157 L159 F160 M163L81-V155 HydrophobicContact CD1-CG2 4.02Å; P93-V155 HydrophobicContact CB-CG2 4.4Å; P93-V155 HydrophobicContact CG-CG2 3.91Å; L126-V155 HydrophobicContact CD2-CG1 4.32Å; L126-V155 HydrophobicContact CD2-CG2 4.31Å; V155-E157 PolarHBondContact O-N 2.89Å; V155-L159 HydrophobicContact CG1-CB 4.15Å; V155-L159 HydrophobicContact CG1-CD2 4.09Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; V155-F160 HydrophobicContact CB-CB 4.44Å; V155-F160 HydrophobicContact CG1-CB 3.95Å; V155-M163 HydrophobicContact CG1-CE 4.26Å
156P87.1Confident90.4Very high72 Ų7259.8 Ų59.847%0.46833%0.328SS..PPolyproline II helixtrans-55.9138.6171.9-24.633.9000111.4E158 L159 F160P156-E158 VanDerWaalsContact C-N 3.3Å; P156-E158 PolarHBondContact O-N 3.38Å; P156-L159 HydrophobicContact CB-CB 4.27Å; P156-L159 PolarHBondContact O-N 2.87Å; P156-F160 PolarHBondContact O-N 2.85Å
157E87.4Confident90.2Very high132 Ų13263 Ų6362%0.61734%0.343SS*.Hα-helixtrans-57.5-40.5-173.4-174.8177.6177.200113.2V155 F160 R161V155-E157 PolarHBondContact O-N 2.89Å; E157-F160 PolarHBondContact O-N 2.86Å; E157-R161 WeakPolarHBondContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.39Å
158E90.1Very high90Very high160 Ų16069.3 Ų69.375%0.74836%0.36SS*.Hα-helixtrans-63.3-43.3177.3-66.4-177.7172.700112.1P156 R161 L162P156-E158 VanDerWaalsContact C-N 3.3Å; P156-E158 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-L162 PolarHBondContact O-N 3.31Å
159L92.1Very high89.9Confident17 Ų1775.8 Ų75.89%0.08939%0.394CS..Hα-helixtrans-67.1-41.3177.2-172.467.2000111Y121 A122 V124 L126 V155 P156 R161 L162 M163Y121-L159 HydrophobicContact CD1-CD1 3.9Å; Y121-L159 HydrophobicContact CD1-CG 4.48Å; A122-L159 HydrophobicContact CB-CD1 4.27Å; V124-L159 HydrophobicContact CB-CD1 4.45Å; V124-L159 HydrophobicContact CB-CD2 3.62Å; V124-L159 HydrophobicContact CG1-CD2 3.71Å; V124-L159 HydrophobicContact CG2-CD1 4.17Å; V124-L159 HydrophobicContact CG2-CD2 4.05Å; L126-L159 HydrophobicContact CD2-CD2 3.74Å; V155-L159 HydrophobicContact CG1-CB 4.15Å; V155-L159 HydrophobicContact CG1-CD2 4.09Å; V155-L159 HydrophobicContact CG1-CG 4.25Å; P156-L159 HydrophobicContact CB-CB 4.27Å; P156-L159 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.2Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 2.87Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.5Å; L159-M163 PolarHBondContact O-N 3.17Å
160F90.3Very high89.8Confident42 Ų4276 Ų7618%0.18441%0.406CS..Hα-helixtrans-60.2-43.3175177-96.4000111.7L81 P83 V155 P156 E157 M163 S164L81-F160 VanDerWaalsContact O-CE2 3.22Å; L81-F160 WeakPolarHBondContact O-CE2 3.47Å; P83-F160 HydrophobicContact CB-CB 4.49Å; P83-F160 HydrophobicContact CB-CD1 3.56Å; P83-F160 HydrophobicContact CB-CE1 3.9Å; P83-F160 HydrophobicContact CB-CG 3.92Å; P83-F160 HydrophobicContact CG-CD1 3.91Å; P83-F160 HydrophobicContact CG-CE1 3.67Å; P83-F160 HydrophobicContact CG-CG 4.49Å; P83-F160 HydrophobicContact CG-CZ 4.11Å; V155-F160 HydrophobicContact CB-CB 4.44Å; V155-F160 HydrophobicContact CG1-CB 3.95Å; P156-F160 PolarHBondContact O-N 2.85Å; E157-F160 PolarHBondContact O-N 2.86Å; F160-M163 HydrophobicContact CD2-CE 3.99Å; F160-S164 WeakPolarHBondContact CE1-OG 3.38Å; F160-S164 VanDerWaalsContact CZ-OG 3.3Å; F160-S164 WeakPolarHBondContact CZ-OG 3.27Å; F160-S164 VanDerWaalsContact O-CB 3.27Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 2.9Å; F160-S164 PolarHBondContact O-OG 3.39Å
161R92.4Very high89.9Confident168 Ų16879.6 Ų79.663%0.63443%0.427SS*.Hα-helixtrans-63.6-42.3175.9-78.6177.555.5-147-9.3112.4E157 E158 L159 A165E157-R161 WeakPolarHBondContact O-CB 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.39Å; E158-R161 PolarHBondContact O-N 2.86Å; L159-R161 VanDerWaalsContact C-N 3.33Å; L159-R161 PolarHBondContact O-N 3.2Å; R161-A165 WeakPolarHBondContact O-CB 3.06Å; R161-A165 PolarHBondContact O-N 3.47Å
162L93.9Very high90.4Very high73 Ų7373 Ų7338%0.38239%0.393SS..Hα-helixtrans-60.4-54.9175.7175.163.1000110.5A122 E158 L159 S164 A165 E166A122-L162 HydrophobicContact CB-CD2 4.28Å; E158-L162 PolarHBondContact O-N 3.31Å; L159-L162 HydrophobicContact CD1-CD2 4.49Å; L159-L162 PolarHBondContact O-N 2.87Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.82Å; L162-A165 WeakPolarHBondContact O-CB 3.14Å; L162-A165 PolarHBondContact O-N 2.89Å; L162-E166 HydrophobicContact CD1-CG 4.24Å; L162-E166 PolarHBondContact O-N 3.33Å
163M92.8Very high91.1Very high2 Ų274.9 Ų74.91%0.0139%0.388CS..Hα-helixtrans-57.2-44179.5-178.5171.959.200112.1L81 Y121 V155 L159 F160 A165 E166 Q167 L194L81-M163 HydrophobicContact CD1-CE 3.64Å; L81-M163 HydrophobicContact CD1-SD 4.09Å; L81-M163 HydrophobicContact CD2-CE 3.55Å; L81-M163 HydrophobicContact CD2-SD 3.72Å; L81-M163 HydrophobicContact CG-CE 3.47Å; L81-M163 VanDerWaalsContact CG-CE 3.47Å; L81-M163 HydrophobicContact CG-SD 4.18Å; Y121-M163 HydrophobicContact CD1-CB 4.13Å; Y121-M163 HydrophobicContact CD1-CG 4.42Å; Y121-M163 HydrophobicContact CD2-CG 4.01Å; Y121-M163 HydrophobicContact CD2-SD 3.87Å; Y121-M163 HydrophobicContact CE1-CB 3.71Å; Y121-M163 HydrophobicContact CE1-CG 4.1Å; Y121-M163 HydrophobicContact CE2-CB 4.18Å; Y121-M163 HydrophobicContact CE2-CG 3.63Å; Y121-M163 HydrophobicContact CE2-SD 4.11Å; Y121-M163 HydrophobicContact CG-CG 4.38Å; Y121-M163 HydrophobicContact CG-SD 4.09Å; V155-M163 HydrophobicContact CG1-CE 4.26Å; L159-M163 VanDerWaalsContact O-CB 3.27Å; L159-M163 WeakPolarHBondContact O-CB 3.5Å; L159-M163 PolarHBondContact O-N 3.17Å; F160-M163 HydrophobicContact CD2-CE 3.99Å; M163-A165 VanDerWaalsContact C-N 3.32Å; M163-A165 PolarHBondContact O-N 2.92Å; M163-E166 PolarHBondContact O-N 3.31Å; M163-Q167 WeakPolarHBondContact O-CB 3.17Å; M163-Q167 PolarHBondContact O-N 3.4Å; M163-L194 HydrophobicContact CG-CD2 3.67Å; M163-L194 HydrophobicContact SD-CD2 3.94Å
164S91.4Very high91.8Very high22 Ų2270 Ų7015%0.15436%0.358CS..Hα-helixtrans-63.4-36.3175.9-63.90000113F160 L162 R168F160-S164 WeakPolarHBondContact CE1-OG 3.38Å; F160-S164 VanDerWaalsContact CZ-OG 3.3Å; F160-S164 WeakPolarHBondContact CZ-OG 3.27Å; F160-S164 VanDerWaalsContact O-CB 3.27Å; F160-S164 WeakPolarHBondContact O-CB 3.49Å; F160-S164 PolarHBondContact O-N 2.9Å; F160-S164 PolarHBondContact O-OG 3.39Å; L162-S164 VanDerWaalsContact C-N 3.32Å; L162-S164 PolarHBondContact O-N 2.82Å; S164-R168 WeakPolarHBondContact O-CD 3.13Å; S164-R168 VanDerWaalsContact O-CG 3.23Å; S164-R168 WeakPolarHBondContact O-CG 3.47Å; S164-R168 PolarHBondContact O-N 3.29Å
165A94.1Very high92.5Very high46 Ų4672.2 Ų72.238%0.3837%0.365SS..Hα-helixtrans-70.6-43.4177.600000111.2R161 L162 M163 R168 L169R161-A165 WeakPolarHBondContact O-CB 3.06Å; R161-A165 PolarHBondContact O-N 3.47Å; L162-A165 WeakPolarHBondContact O-CB 3.14Å; L162-A165 PolarHBondContact O-N 2.89Å; M163-A165 VanDerWaalsContact C-N 3.32Å; M163-A165 PolarHBondContact O-N 2.92Å; A165-R168 PolarHBondContact O-N 3.24Å; A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.18Å
166E95.2Very high92.9Very high60 Ų6072.1 Ų72.128%0.2837%0.365SS..Hα-helixtrans-68.7-36.2177.7-72.8177.5160.900112.2Y121 L162 M163 R168 L169 G170 V171 A172Y121-E166 WeakPolarHBondContact CE1-OE2 3.14Å; Y121-E166 VanDerWaalsContact CZ-OE2 3.27Å; Y121-E166 WeakPolarHBondContact OH-CB 3.26Å; Y121-E166 PolarHBondContact OH-OE2 2.97Å; L162-E166 HydrophobicContact CD1-CG 4.24Å; L162-E166 PolarHBondContact O-N 3.33Å; M163-E166 PolarHBondContact O-N 3.31Å; E166-R168 PolarHBondContact O-N 3.08Å; E166-L169 CarbonylContact O-C 3.56Å; E166-L169 WeakPolarHBondContact O-CA 3.09Å; E166-L169 WeakPolarHBondContact O-CB 3.39Å; E166-L169 PolarHBondContact O-N 2.85Å; E166-G170 PolarHBondContact O-N 3.2Å; E166-V171 HydrophobicContact CB-CG2 3.88Å; E166-V171 HydrophobicContact CG-CG2 4.1Å; E166-V171 PolarHBondContact O-N 2.97Å; E166-A172 HydrophobicContact CB-CB 4.08Å; E166-A172 PolarHBondContact O-N 3.28Å
167Q92Very high93.3Very high72 Ų7269.3 Ų69.334%0.33635%0.349SS..Hα-helixtrans-62.7-43.2174.4-170.7179.829.300111M163 L169 G170 A172 D195M163-Q167 WeakPolarHBondContact O-CB 3.17Å; M163-Q167 PolarHBondContact O-N 3.4Å; Q167-L169 PolarHBondContact O-N 3.48Å; Q167-L169 VanDerWaalsContact O-N 3.15Å; Q167-G170 PolarHBondContact O-N 3.36Å; Q167-A172 HydrophobicContact CB-CB 3.95Å; Q167-D195 WeakPolarHBondContact CG-OD1 3.38Å; Q167-D195 PolarHBondContact NE2-OD1 2.82Å
168R91Very high93.7Very high219 Ų21963.1 Ų63.183%0.82632%0.32SS*.Hα-helixtrans-61.9-22.6174.2-72.7169.1-177-179.62.4113.5S164 A165 E166S164-R168 WeakPolarHBondContact O-CD 3.13Å; S164-R168 VanDerWaalsContact O-CG 3.23Å; S164-R168 WeakPolarHBondContact O-CG 3.47Å; S164-R168 PolarHBondContact O-N 3.29Å; A165-R168 PolarHBondContact O-N 3.24Å; E166-R168 PolarHBondContact O-N 3.08Å
169L93.9Very high93.8Very high135 Ų13558.3 Ų58.371%0.70730%0.298SS*.THydrogen-bonded Turntrans-92.9-5.7176.2-64.7173.2000112.6A165 E166 Q167 V171A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.18Å; E166-L169 CarbonylContact O-C 3.56Å; E166-L169 WeakPolarHBondContact O-CA 3.09Å; E166-L169 WeakPolarHBondContact O-CB 3.39Å; E166-L169 PolarHBondContact O-N 2.85Å; Q167-L169 PolarHBondContact O-N 3.48Å; Q167-L169 VanDerWaalsContact O-N 3.15Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 HydrophobicContact CB-CG2 4.03Å
170G92.6Very high93.7Very high54 Ų5457.5 Ų57.556%0.55729%0.293SS*.THydrogen-bonded Turntrans69.129.9-176.400000113.6E166 Q167E166-G170 PolarHBondContact O-N 3.2Å; Q167-G170 PolarHBondContact O-N 3.36Å
171V94.4Very high93.3Very high84 Ų8456.6 Ų56.651%0.50930%0.296SS..  trans-124.36.9-178.5-56.70000113.4E166 L169 Q173E166-V171 HydrophobicContact CB-CG2 3.88Å; E166-V171 HydrophobicContact CG-CG2 4.1Å; E166-V171 PolarHBondContact O-N 2.97Å; L169-V171 VanDerWaalsContact C-N 3.35Å; L169-V171 HydrophobicContact CB-CG2 4.03Å; V171-Q173 PolarHBondContact O-N 2.94Å
172A94.2Very high92.5Very high2 Ų257.2 Ų57.22%0.01730%0.299CS..  trans-73.7119.3178.300000110.9Y121 E166 Q167 L194Y121-A172 HydrophobicContact CE2-CB 4.02Å; Y121-A172 WeakPolarHBondContact OH-CA 3.39Å; Y121-A172 WeakPolarHBondContact OH-CB 3.2Å; E166-A172 HydrophobicContact CB-CB 4.08Å; E166-A172 PolarHBondContact O-N 3.28Å; Q167-A172 HydrophobicContact CB-CB 3.95Å; A172-L194 HydrophobicContact CB-CB 3.98Å; A172-L194 HydrophobicContact CB-CD2 4.07Å; A172-L194 WeakPolarHBondContact O-CB 3.45Å; A172-L194 PolarHBondContact O-N 3.03Å
173Q96Very high91.4Very high90 Ų9058.8 Ų58.842%0.42131%0.313SS..EExtended strand (participates in β ladder)trans-124.8135.8179.4-64.4-171-29.600111.3Y121 V171 V192 D193Y121-Q173 WeakPolarHBondContact CD2-O 2.79Å; Y121-Q173 WeakPolarHBondContact CE2-O 3.26Å; V171-Q173 PolarHBondContact O-N 2.94Å; Q173-V192 CarbonylContact C-O 3.54Å; Q173-V192 WeakPolarHBondContact CA-O 3.44Å; Q173-D193 WeakPolarHBondContact CG-OD1 3.09Å; Q173-D193 PolarHBondContact NE2-OD1 2.89Å
174L95.9Very high90.4Very high0 Ų061.8 Ų61.80%035%0.345CS..EExtended strand (participates in β ladder)trans-92.2133.4171-70168.6000110L75 F95 V119 Y121 L126 S191 V192 L194L75-L174 HydrophobicContact CD2-CD1 3.84Å; F95-L174 HydrophobicContact CD1-CD1 3.87Å; F95-L174 HydrophobicContact CE1-CD1 3.65Å; F95-L174 HydrophobicContact CE1-CD2 4.13Å; F95-L174 HydrophobicContact CZ-CD2 4.39Å; V119-L174 HydrophobicContact CG1-CB 4.39Å; V119-L174 HydrophobicContact CG1-CD1 4.29Å; V119-L174 HydrophobicContact CG1-CD2 3.94Å; V119-L174 HydrophobicContact CG1-CG 4.46Å; Y121-L174 HydrophobicContact CD2-CD2 3.87Å; L126-L174 HydrophobicContact CD1-CD2 3.99Å; L174-S191 CarbonylContact O-C 3.6Å; L174-S191 VanDerWaalsContact O-CA 3.32Å; L174-S191 WeakPolarHBondContact O-CA 3.46Å; L174-V192 PolarHBondContact N-O 3.27Å; L174-V192 PolarHBondContact O-N 2.91Å; L174-L194 HydrophobicContact CD1-CD1 3.5Å; L174-L194 HydrophobicContact CD2-CD1 4.3Å; L174-L194 HydrophobicContact CG-CD1 3.86Å
175D97.3Very high89.8Confident64 Ų6468.5 Ų68.534%0.34237%0.367SS..EExtended strand (participates in β ladder)trans-90.2115.5170.4-65.2-44.8000109.5S120 S191S120-D175 PolarHBondContact N-O 3.05Å; S120-D175 PolarHBondContact O-N 2.85Å; D175-S191 PolarHBondContact OD1-OG 3.18Å
176I97.4Very high89.4Confident1 Ų168.1 Ų68.11%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-108.3116.8178.5-56.3173.8000108.2V73 L97 V117 K118 Y189 W190 V192V73-I176 HydrophobicContact CG1-CD1 4.1Å; V73-I176 HydrophobicContact CG2-CD1 3.86Å; V73-I176 HydrophobicContact CG2-CG2 4.41Å; L97-I176 HydrophobicContact CD1-CD1 4.35Å; L97-I176 HydrophobicContact CD1-CG2 4.09Å; L97-I176 HydrophobicContact CD2-CD1 3.69Å; V117-I176 HydrophobicContact CG1-CG2 3.99Å; K118-I176 WeakPolarHBondContact O-CA 3.43Å; I176-Y189 WeakPolarHBondContact O-CA 3.28Å; I176-W190 HydrophobicContact CB-CE3 4.36Å; I176-W190 HydrophobicContact CG2-CE3 4.19Å; I176-W190 HydrophobicContact CG2-CZ3 4.48Å; I176-W190 PolarHBondContact N-O 3.42Å; I176-W190 PolarHBondContact O-N 3.45Å; I176-V192 HydrophobicContact CD1-CB 4.29Å; I176-V192 HydrophobicContact CD1-CG2 3.8Å
177G95.7Very high89.2Confident13 Ų1367.8 Ų67.813%0.13436%0.361CS..EExtended strand (participates in β ladder)trans-104.2127.6171.800000110.7V117 K118 Y188V117-G177 CarbonylContact C-O 3.51Å; V117-G177 VanDerWaalsContact CA-O 3.31Å; V117-G177 WeakPolarHBondContact CA-O 3.5Å; K118-G177 PolarHBondContact N-O 3.18Å; K118-G177 PolarHBondContact O-N 3.34Å; G177-Y188 CarbonylContact C-O 3.52Å; G177-Y188 WeakPolarHBondContact CA-O 3.29Å
178L94.6Very high89.2Confident2 Ų266.1 Ų66.11%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-111.6128.4168.717069.7000108.8L99 L101 V117 T131 L180 S187 Y188 W190L99-L178 HydrophobicContact CD1-CD1 4.01Å; L99-L178 HydrophobicContact CD1-CD2 4.11Å; L101-L178 HydrophobicContact CD2-CD2 4.33Å; V117-L178 HydrophobicContact CG2-CD1 3.62Å; T131-L178 HydrophobicContact CG2-CD1 3.72Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.22Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CD2-CD2 4.08Å; L178-L180 HydrophobicContact CD2-CG 3.94Å; L178-L180 HydrophobicContact CG-CD2 4.06Å; L178-L180 HydrophobicContact CG-CG 3.95Å; L178-S187 CarbonylContact O-C 3.5Å; L178-S187 VanDerWaalsContact O-CA 3.31Å; L178-S187 WeakPolarHBondContact O-CA 3.27Å; L178-Y188 HydrophobicContact CD2-CD2 4.07Å; L178-Y188 HydrophobicContact CG-CD2 4.42Å; L178-Y188 PolarHBondContact N-O 3.49Å; L178-Y188 PolarHBondContact O-N 2.88Å; L178-W190 HydrophobicContact CB-CH2 3.85Å; L178-W190 HydrophobicContact CB-CZ3 3.56Å; L178-W190 HydrophobicContact CD2-CH2 3.87Å; L178-W190 HydrophobicContact CD2-CZ3 4.41Å
179Q93.1Very high89.4Confident58 Ų5864.2 Ų64.227%0.27135%0.347SS..EExtended strand (participates in β ladder)trans-115.4123.6170.1176.6164.16900108.9G115 S116 G184 E186G115-Q179 CarbonylContact C-O 3.6Å; G115-Q179 WeakPolarHBondContact CA-O 2.97Å; S116-Q179 PolarHBondContact N-O 3.48Å; S116-Q179 PolarHBondContact O-N 3.28Å; Q179-G184 VanDerWaalsContact NE2-N 3.12Å; Q179-E186 WeakPolarHBondContact CA-O 3.22Å
180L89.5Confident89.5Confident0 Ų060 Ų600%032%0.321CS..EExtended strand (participates in β ladder)trans-108.9139.3179.8-66.8178.5000111.1R112 F134 L178 E186 Y188R112-L180 HydrophobicContact CG-CB 4.5Å; R112-L180 HydrophobicContact CG-CD1 4.28Å; F134-L180 HydrophobicContact CE1-CD1 4.31Å; F134-L180 HydrophobicContact CE1-CD2 3.88Å; F134-L180 HydrophobicContact CZ-CD1 3.84Å; F134-L180 HydrophobicContact CZ-CD2 4.24Å; L178-L180 HydrophobicContact CD1-CD2 3.79Å; L178-L180 HydrophobicContact CD1-CG 4.22Å; L178-L180 HydrophobicContact CD2-CD1 4.08Å; L178-L180 HydrophobicContact CD2-CD2 4.08Å; L178-L180 HydrophobicContact CD2-CG 3.94Å; L178-L180 HydrophobicContact CG-CD2 4.06Å; L178-L180 HydrophobicContact CG-CG 3.95Å; L180-E186 HydrophobicContact CB-CB 4.31Å; L180-E186 PolarHBondContact N-O 2.9Å; L180-Y188 HydrophobicContact CD1-CD2 4.44Å; L180-Y188 HydrophobicContact CD1-CE2 3.89Å
181G81.8Confident89.7Confident24 Ų2460.8 Ų60.825%0.24732%0.318CS..SBendtrans66.3-141.9-179.900000112.7G114G114-G181 PolarHBondContact O-N 2.95Å
182W76.8Confident89.7Confident181 Ų18158 Ų5869%0.68630%0.302SS*.SBendtrans-68.8145.5-178.2-74.687.1000112.3G184 W185W182-G184 PolarHBondContact O-N 3.12Å; W182-W185 HydrophobicContact CB-CE3 4.46Å; W182-W185 VanDerWaalsContact O-CB 3.25Å; W182-W185 WeakPolarHBondContact O-CB 3.23Å; W182-W185 PolarHBondContact O-N 3.23Å
183P69.9Low89.7Confident105 Ų10561.6 Ų61.668%0.68232%0.321SS*.THydrogen-bonded Turntrans-51.8126.8177.2-27.534.8000112.5
184G70.8Confident89.4Confident66 Ų6657.8 Ų57.868%0.6830%0.303SS*.THydrogen-bonded Turntrans84.2-0.118000000115.7Q179 W182Q179-G184 VanDerWaalsContact NE2-N 3.12Å; W182-G184 PolarHBondContact O-N 3.12Å
185W79.3Confident88.7Confident163 Ų16362.2 Ų62.262%0.61733%0.326SS*.THydrogen-bonded Turntrans-79.3-58.8-179.8-167.67.5000112.4W182W182-W185 HydrophobicContact CB-CE3 4.46Å; W182-W185 VanDerWaalsContact O-CB 3.25Å; W182-W185 WeakPolarHBondContact O-CB 3.23Å; W182-W185 PolarHBondContact O-N 3.23Å
186E85.9Confident87Confident38 Ų3864 Ų6418%0.17836%0.361CS..EExtended strand (participates in β ladder)trans-136.5122.4179.5-68.8-176.3179.100110.2R112 Q179 L180 Y188R112-E186 IonicContact CZ-OE1 2.65Å; R112-E186 IonicContact CZ-OE2 3.16Å; R112-E186 VanDerWaalsContact CZ-OE2 3.31Å; R112-E186 IonicContact NE-OE1 3.64Å; R112-E186 IonicContact NE-OE2 3.33Å; R112-E186 PolarHBondContact NE-OE2 2.82Å; R112-E186 VanDerWaalsContact NH2-CD 3.27Å; R112-E186 IonicContact NH2-OE1 2.68Å; R112-E186 PolarHBondContact NH2-OE1 2.74Å; R112-E186 IonicContact NH2-OE2 3.07Å; R112-E186 PolarHBondContact NH2-OE2 2.87Å; Q179-E186 WeakPolarHBondContact CA-O 3.22Å; L180-E186 HydrophobicContact CB-CB 4.31Å; L180-E186 PolarHBondContact N-O 2.9Å; E186-Y188 HydrophobicContact CB-CE2 4.33Å
187S90.5Very high86.5Confident52 Ų5267.2 Ų67.236%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-132.2136.4179.7-59.30000109.8L178L178-S187 CarbonylContact O-C 3.5Å; L178-S187 VanDerWaalsContact O-CA 3.31Å; L178-S187 WeakPolarHBondContact O-CA 3.27Å
188Y92.9Very high86Confident38 Ų3870.1 Ų70.115%0.14939%0.391CS..EExtended strand (participates in β ladder)trans-124.7145.3176.2-58.4-87.4000109.1I69 S71 G177 L178 L180 E186 W190I69-Y188 WeakPolarHBondContact CB-OH 3.38Å; I69-Y188 WeakPolarHBondContact O-CE1 3.35Å; I69-Y188 PolarHBondContact O-OH 2.89Å; S71-Y188 WeakPolarHBondContact OG-CD1 3.28Å; S71-Y188 WeakPolarHBondContact OG-CE1 3.39Å; S71-Y188 VanDerWaalsContact OG-CG 3.31Å; G177-Y188 CarbonylContact C-O 3.52Å; G177-Y188 WeakPolarHBondContact CA-O 3.29Å; L178-Y188 HydrophobicContact CD2-CD2 4.07Å; L178-Y188 HydrophobicContact CG-CD2 4.42Å; L178-Y188 PolarHBondContact N-O 3.49Å; L178-Y188 PolarHBondContact O-N 2.88Å; L180-Y188 HydrophobicContact CD1-CD2 4.44Å; L180-Y188 HydrophobicContact CD1-CE2 3.89Å; E186-Y188 HydrophobicContact CB-CE2 4.33Å; Y188-W190 VanDerWaalsContact CB-CH2 3.42Å; Y188-W190 HydrophobicContact CG-CH2 4.19Å; Y188-W190 HydrophobicContact CG-CZ2 4.33Å
189Y95Very high85.5Confident179 Ų17973.8 Ų73.870%0.70241%0.413SS*.EExtended strand (participates in β ladder)trans-137.3133.6-178.4-65.8-84.5000108.8I176I176-Y189 WeakPolarHBondContact O-CA 3.28Å
190W96.1Very high85.1Confident45 Ų4574.8 Ų74.817%0.1742%0.421CS..EExtended strand (participates in β ladder)trans-135.5146.3174.2-53.2-90.3000109.3S71 V73 L99 I176 L178 Y188 V192S71-W190 PolarHBondContact O-NE1 2.91Å; S71-W190 VanDerWaalsContact O-NE1 3.16Å; S71-W190 WeakPolarHBondContact OG-CZ2 3.37Å; V73-W190 HydrophobicContact CB-CD2 4.11Å; V73-W190 HydrophobicContact CB-CE3 4.11Å; V73-W190 HydrophobicContact CB-CG 4.47Å; V73-W190 HydrophobicContact CB-CZ3 4.43Å; V73-W190 HydrophobicContact CG1-CB 3.52Å; V73-W190 HydrophobicContact CG1-CD2 3.53Å; V73-W190 HydrophobicContact CG1-CE3 3.76Å; V73-W190 HydrophobicContact CG1-CG 3.46Å; V73-W190 VanDerWaalsContact CG1-CG 3.46Å; L99-W190 HydrophobicContact CD2-CH2 4.08Å; L99-W190 HydrophobicContact CD2-CZ3 4.11Å; I176-W190 HydrophobicContact CB-CE3 4.36Å; I176-W190 HydrophobicContact CG2-CE3 4.19Å; I176-W190 HydrophobicContact CG2-CZ3 4.48Å; I176-W190 PolarHBondContact N-O 3.42Å; I176-W190 PolarHBondContact O-N 3.45Å; L178-W190 HydrophobicContact CB-CH2 3.85Å; L178-W190 HydrophobicContact CB-CZ3 3.56Å; L178-W190 HydrophobicContact CD2-CH2 3.87Å; L178-W190 HydrophobicContact CD2-CZ3 4.41Å; Y188-W190 VanDerWaalsContact CB-CH2 3.42Å; Y188-W190 HydrophobicContact CG-CH2 4.19Å; Y188-W190 HydrophobicContact CG-CZ2 4.33Å; W190-V192 HydrophobicContact CB-CG2 4.27Å
191S96Very high84.8Confident72 Ų7279.4 Ų79.450%0.50345%0.447SS..EExtended strand (participates in β ladder)trans-106.6122.6164.8-56.20000106.9L174 D175L174-S191 CarbonylContact O-C 3.6Å; L174-S191 VanDerWaalsContact O-CA 3.32Å; L174-S191 WeakPolarHBondContact O-CA 3.46Å; D175-S191 PolarHBondContact OD1-OG 3.18Å
192V95.3Very high85Confident26 Ų2683.1 Ų83.116%0.15846%0.46CS..EExtended strand (participates in β ladder)trans-120.8134-175.7-176.90000108.6V73 L75 Q173 L174 I176 W190 L194V73-V192 HydrophobicContact CG1-CG2 3.62Å; L75-V192 HydrophobicContact CB-CG1 3.91Å; Q173-V192 CarbonylContact C-O 3.54Å; Q173-V192 WeakPolarHBondContact CA-O 3.44Å; L174-V192 PolarHBondContact N-O 3.27Å; L174-V192 PolarHBondContact O-N 2.91Å; I176-V192 HydrophobicContact CD1-CB 4.29Å; I176-V192 HydrophobicContact CD1-CG2 3.8Å; W190-V192 HydrophobicContact CB-CG2 4.27Å; V192-L194 PolarHBondContact O-N 3.42Å
193D93.5Very high85.6Confident77 Ų7776.1 Ų76.141%0.41244%0.444SS..EExtended strand (participates in β ladder)trans-60.7131.7175.8-62.3-27.2000109.7Q173 D195 G196Q173-D193 WeakPolarHBondContact CG-OD1 3.09Å; Q173-D193 PolarHBondContact NE2-OD1 2.89Å; D193-D195 PolarHBondContact O-N 3Å; D193-G196 PolarHBondContact O-N 2.87Å
194L89.5Confident86.8Confident10 Ų1073.9 Ų73.95%0.05243%0.426CS..THydrogen-bonded Turntrans-65.5-24.1-176.4179.162.3000112.3V78 L81 M163 A172 L174 V192V78-L194 HydrophobicContact CG2-CD1 4.19Å; L81-L194 HydrophobicContact CD2-CD1 4.16Å; L81-L194 HydrophobicContact CD2-CD2 4.05Å; M163-L194 HydrophobicContact CG-CD2 3.67Å; M163-L194 HydrophobicContact SD-CD2 3.94Å; A172-L194 HydrophobicContact CB-CB 3.98Å; A172-L194 HydrophobicContact CB-CD2 4.07Å; A172-L194 WeakPolarHBondContact O-CB 3.45Å; A172-L194 PolarHBondContact O-N 3.03Å; L174-L194 HydrophobicContact CD1-CD1 3.5Å; L174-L194 HydrophobicContact CD2-CD1 4.3Å; L174-L194 HydrophobicContact CG-CD1 3.86Å; V192-L194 PolarHBondContact O-N 3.42Å
195D81.7Confident88.1Confident92 Ų9274.6 Ų74.649%0.49241%0.405SS..THydrogen-bonded Turntrans-85.6-5.9-177.6-65.5-39.1000114.1Q167 D193Q167-D195 WeakPolarHBondContact CG-OD1 3.38Å; Q167-D195 PolarHBondContact NE2-OD1 2.82Å; D193-D195 PolarHBondContact O-N 3Å
196G61.9Low88.9Confident103 Ų10366.5 Ų66.5100%1.06239%0.386SS*.  trans67.90-173.400000113.2D193D193-G196 PolarHBondContact O-N 2.87Å

Retrieved 196 of 196 residues in 738.6 ms (Link to these results)