A0A060X940_ONCMY Loading...

Trafficking protein particle complex subunit 5

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A060X940, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene trappc5, Length 188 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
1M40Very low51.8Low239 Ų239155.9 Ų155.9100%1.17779%0.79SS**  078.30-154.8171.4-165.200106.4
2E38.4Very low53Low182 Ų182154.8 Ų154.885%0.8578%0.784SS**  trans-11090-178.8-73.4-172.1161.800108.3R4E2-R4 VanDerWaalsContact C-N 3.33Å; E2-R4 PolarHBondContact O-N 3.29Å; E2-R4 VanDerWaalsContact O-N 3.08Å
3T41.7Very low54Low130 Ų130154 Ų15480%0.79878%0.782SS**  trans-7592.516532.40000107.7F5T3-F5 PolarHBondContact O-N 2.95Å
4R47.9Very low55Low222 Ų222151.5 Ų151.584%0.83877%0.766SS**  trans-52114.3162-78179.1174.2172.6-1.9107.5E2 T6E2-R4 VanDerWaalsContact C-N 3.33Å; E2-R4 PolarHBondContact O-N 3.29Å; E2-R4 VanDerWaalsContact O-N 3.08Å; R4-T6 PolarHBondContact O-N 3.27Å
5F52.1Low55.6Low201 Ų201153.5 Ų153.588%0.88276%0.761SS**  trans-52.2108.9163.3-84.9-91.8000107.3T3 R7T3-F5 PolarHBondContact O-N 2.95Å; F5-R7 PolarHBondContact O-N 3.34Å
6T51.3Low56.1Low134 Ų134148.6 Ų148.682%0.82275%0.746SS**  trans-62.5111164.346.60000105.3R4 G8R4-T6 PolarHBondContact O-N 3.27Å; T6-G8 PolarHBondContact O-N 3.43Å
7R55.9Low56.7Low248 Ų248150.5 Ų150.594%0.93676%0.758SS**  trans-68.769.3173.8-162.7179.2-172.4-174.12.8107.5F5 K9F5-R7 PolarHBondContact O-N 3.34Å; R7-K9 PolarHBondContact O-N 3.12Å; R7-K9 VanDerWaalsContact O-N 3.09Å
8G56.2Low57.2Low56 Ų56147.9 Ų147.958%0.57775%0.751SS**  trans-62.2110.917300000107T6 S10T6-G8 PolarHBondContact O-N 3.43Å; G8-S10 PolarHBondContact O-N 3.24Å
9K58.6Low57.7Low159 Ų159152.4 Ų152.469%0.69176%0.758SS**  trans-48.3106.5171.2-71.9160.3150.8-126.90107.7R7 A11 E14R7-K9 PolarHBondContact O-N 3.12Å; R7-K9 VanDerWaalsContact O-N 3.09Å; K9-A11 PolarHBondContact O-N 3.04Å; K9-E14 HydrophobicContact CB-CG 4.28Å; K9-E14 WeakPolarHBondContact CD-OE1 3.35Å; K9-E14 VanDerWaalsContact CE-OE1 3.3Å; K9-E14 WeakPolarHBondContact CE-OE1 3.09Å; K9-E14 WeakPolarHBondContact CG-OE1 3.42Å; K9-E14 IonicContact NZ-OE1 2.75Å; K9-E14 PolarHBondContact NZ-OE1 3.27Å
10S61.7Low58.4Low60 Ų60149.5 Ų149.542%0.4275%0.751SS.*  trans-64.6122.6179.3-53.80000107.6G8 I12 L13 E14G8-S10 PolarHBondContact O-N 3.24Å; S10-I12 PolarHBondContact O-N 3.01Å; S10-L13 WeakPolarHBondContact O-CA 3.45Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.33Å; S10-E14 PolarHBondContact O-N 3.08Å
11A65.6Low59.2Low84 Ų84150.5 Ų150.569%0.69475%0.75SS**Hα-helixtrans-55.2-23.318000000112.9K9 R15K9-A11 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.1Å
12I66.5Low61.3Low142 Ų142144.9 Ų144.973%0.72873%0.73SS**Hα-helixtrans-71.1-29.2174.2-155.6154.4000113.5S10S10-I12 PolarHBondContact O-N 3.01Å
13L66.1Low63.6Low145 Ų145145.3 Ų145.376%0.75973%0.732SS**Hα-helixtrans-85.5-20.8176.8-60176.5000112.1S10S10-L13 WeakPolarHBondContact O-CA 3.45Å; S10-L13 WeakPolarHBondContact O-CB 3.43Å; S10-L13 PolarHBondContact O-N 3.33Å
14E67.9Low65.7Low119 Ų119144.4 Ų144.456%0.55673%0.726SS**Hα-helixtrans-91.8-9.6173.5-62.5-145.7157.100113K9 S10 S16K9-E14 HydrophobicContact CB-CG 4.28Å; K9-E14 WeakPolarHBondContact CD-OE1 3.35Å; K9-E14 VanDerWaalsContact CE-OE1 3.3Å; K9-E14 WeakPolarHBondContact CE-OE1 3.09Å; K9-E14 WeakPolarHBondContact CG-OE1 3.42Å; K9-E14 IonicContact NZ-OE1 2.75Å; K9-E14 PolarHBondContact NZ-OE1 3.27Å; S10-E14 PolarHBondContact O-N 3.08Å; E14-S16 PolarHBondContact O-N 2.63Å
15R64.4Low67.6Low181 Ų181137.4 Ų137.468%0.68371%0.711SS**SBendtrans-71.3121.7175.8-172.7173.5175.7162.70.5109.1A11 L17A11-R15 PolarHBondContact O-N 3.37Å; A11-R15 VanDerWaalsContact O-N 3.1Å; R15-L17 PolarHBondContact O-N 3.15Å
16S63.7Low69Low76 Ų76132 Ų13253%0.53169%0.694SS.*  trans-52.6128.8171.6-173.80000110E14 T18E14-S16 PolarHBondContact O-N 2.63Å; S16-T18 WeakPolarHBondContact CB-OG1 3.39Å; S16-T18 PolarHBondContact O-N 3.2Å; S16-T18 VanDerWaalsContact O-N 3.07Å; S16-T18 PolarHBondContact OG-N 3.47Å; S16-T18 PolarHBondContact OG-OG1 3.16Å
17L65.5Low70.6Confident181 Ų181129 Ų12995%0.94868%0.679SS**SBendtrans-61.9-13.7175.7-66.9172.6000112.2R15 R19R15-L17 PolarHBondContact O-N 3.15Å; L17-R19 PolarHBondContact O-N 3.24Å; L17-R19 VanDerWaalsContact O-N 3.11Å
18T66.1Low72.2Confident103 Ų103119.5 Ų119.563%0.63265%0.653SS**SBendtrans-67.7108.1174.755.30000110.2S16S16-T18 WeakPolarHBondContact CB-OG1 3.39Å; S16-T18 PolarHBondContact O-N 3.2Å; S16-T18 VanDerWaalsContact O-N 3.07Å; S16-T18 PolarHBondContact OG-N 3.47Å; S16-T18 PolarHBondContact OG-OG1 3.16Å
19R67.6Low73.6Confident233 Ų233120.7 Ų120.788%0.87964%0.643SS**PPolyproline II helixtrans-53.5136.9163.9-95.3-175.4179.9-162.50.5109.4L17 K21L17-R19 PolarHBondContact O-N 3.24Å; L17-R19 VanDerWaalsContact O-N 3.11Å; R19-K21 PolarHBondContact O-N 3.03Å
20P70.3Confident74.9Confident95 Ų95113.7 Ų113.762%0.61761%0.614SS**PPolyproline II helixtrans-55140.4169.9-20.130.6000109.8T22P20-T22 PolarHBondContact O-N 2.92Å
21K74.9Confident76Confident170 Ų170116.7 Ų116.774%0.73963%0.625SS**PPolyproline II helixtrans-62.2123.1172-67.8-177.4-179.4-179.30108R19R19-K21 PolarHBondContact O-N 3.03Å
22T85.9Confident77.2Confident122 Ų122117.9 Ų117.975%0.74862%0.619SS**PPolyproline II helixtrans-97.2132.2171.7-52.70000108.1P20P20-T22 PolarHBondContact O-N 2.92Å
23E84.9Confident78.3Confident190 Ų190111.1 Ų111.189%0.88859%0.585SS**PPolyproline II helixtrans-86.7137173.2-63.9-171.9170.800109.7
24V87.7Confident79.3Confident111 Ų111106.2 Ų106.267%0.67356%0.562SS**  trans-123.1141.4178.81800000107.3V26 A28V24-V26 PolarHBondContact O-N 2.9Å; V24-A28 HydrophobicContact CG1-CB 3.76Å
25S87Confident80.3Confident76 Ų76106 Ų10653%0.53156%0.561SS.*  trans-58.3134.4175.4177.50000110.7S27 A28S25-S27 PolarHBondContact O-N 3.11Å; S25-S27 PolarHBondContact OG-N 2.61Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.25Å
26V81.6Confident81.5Confident86 Ų8699.9 Ų99.952%0.52154%0.541SS..Hα-helixtrans-50-38.5172.2172.70000111.2V24 A28 F29 A30 F127V24-V26 PolarHBondContact O-N 2.9Å; V26-A28 VanDerWaalsContact C-N 3.25Å; V26-A28 PolarHBondContact O-N 3.48Å; V26-F29 PolarHBondContact O-N 3.18Å; V26-A30 PolarHBondContact O-N 2.91Å; V26-A30 VanDerWaalsContact O-N 3.11Å; V26-F127 HydrophobicContact CG1-CD1 3.43Å; V26-F127 VanDerWaalsContact CG1-CD1 3.43Å; V26-F127 HydrophobicContact CG1-CE1 3.68Å
27S84.3Confident82.7Confident72 Ų7296.8 Ų96.850%0.50352%0.519SS..Hα-helixtrans-63.6-27177.9-50.20000113.5S25 A30 L31S25-S27 PolarHBondContact O-N 3.11Å; S25-S27 PolarHBondContact OG-N 2.61Å; S27-A30 WeakPolarHBondContact O-CB 3.28Å; S27-A30 PolarHBondContact O-N 3.43Å; S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 VanDerWaalsContact O-CG 3.25Å; S27-L31 WeakPolarHBondContact O-CG 3.46Å; S27-L31 PolarHBondContact O-N 3.26Å
28A89.4Confident83.8Confident48 Ų4892.6 Ų92.640%0.39749%0.494SS..Hα-helixtrans-68.8-43.1178.600000111.1V24 S25 V26 L32V24-A28 HydrophobicContact CG1-CB 3.76Å; S25-A28 VanDerWaalsContact O-CB 3.29Å; S25-A28 WeakPolarHBondContact O-CB 3.45Å; S25-A28 PolarHBondContact O-N 3.25Å; V26-A28 VanDerWaalsContact C-N 3.25Å; V26-A28 PolarHBondContact O-N 3.48Å; A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.09Å
29F87.1Confident85Confident82 Ų8293.8 Ų93.836%0.3649%0.488SS..Hα-helixtrans-65.1-44.5173.8175.1-101.9000111.2V26 L31 L32 F33 I124 F127V26-F29 PolarHBondContact O-N 3.18Å; F29-L31 PolarHBondContact O-N 3.19Å; F29-L32 PolarHBondContact O-N 3.31Å; F29-F33 HydrophobicContact CE1-CB 4.34Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CZ-CB 4.23Å; F29-F33 HydrophobicContact CZ-CD2 4.16Å; F29-F33 HydrophobicContact CZ-CG 4.25Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 2.85Å; F29-I124 HydrophobicContact CE1-CD1 4.09Å; F29-I124 HydrophobicContact CZ-CD1 4.46Å; F29-F127 HydrophobicContact CD1-CB 4.11Å; F29-F127 AromaticContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD2 4.18Å; F29-F127 HydrophobicContact CD1-CE1 4.41Å; F29-F127 AromaticContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CE1-CB 4.37Å; F29-F127 HydrophobicContact CE1-CD1 4.49Å; F29-F127 AromaticContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CE2 4.44Å; F29-F127 HydrophobicContact CE1-CG 4.02Å
30A84.1Confident86.1Confident11 Ų1183 Ų839%0.09145%0.448CS..Hα-helixtrans-52.3-53.517700000113.7V26 S27 F33 S34 F127 I128V26-A30 PolarHBondContact O-N 2.91Å; V26-A30 VanDerWaalsContact O-N 3.11Å; S27-A30 WeakPolarHBondContact O-CB 3.28Å; S27-A30 PolarHBondContact O-N 3.43Å; A30-F33 PolarHBondContact O-N 3.26Å; A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.8Å; A30-F127 HydrophobicContact CB-CB 4.03Å; A30-F127 WeakPolarHBondContact CB-O 3.36Å; A30-I128 HydrophobicContact CB-CG2 4.28Å; A30-I128 WeakPolarHBondContact O-CG2 3.34Å
31L86.3Confident86.9Confident124 Ų12482.5 Ų82.565%0.64944%0.438SS*.Hα-helixtrans-65.6-44.3-177.7-69169.8000111.1S27 F29 F33 S34 E35S27-L31 WeakPolarHBondContact O-CB 3.46Å; S27-L31 VanDerWaalsContact O-CG 3.25Å; S27-L31 WeakPolarHBondContact O-CG 3.46Å; S27-L31 PolarHBondContact O-N 3.26Å; F29-L31 PolarHBondContact O-N 3.19Å; L31-F33 PolarHBondContact O-N 2.9Å; L31-S34 PolarHBondContact O-N 2.84Å; L31-E35 PolarHBondContact O-N 3.05Å; L31-E35 VanDerWaalsContact O-N 3.1Å
32L90.9Very high87.7Confident109 Ų10978.9 Ų78.957%0.57143%0.434SS*.Hα-helixtrans-59.8-48.4176.2178.265.6000111.4A28 F29 E35 M36A28-L32 WeakPolarHBondContact O-CB 3.44Å; A28-L32 PolarHBondContact O-N 3.09Å; F29-L32 PolarHBondContact O-N 3.31Å; L32-E35 PolarHBondContact O-N 2.78Å; L32-M36 HydrophobicContact CG-SD 4.1Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.26Å; L32-M36 PolarHBondContact O-N 3.19Å
33F88.8Confident88.1Confident0 Ų079.1 Ų79.10%042%0.421CS..Hα-helixtrans-66.5-39-178-172-99.8000111.7F29 A30 L31 E35 M36 V37 I124 I128 C139 F142F29-F33 HydrophobicContact CE1-CB 4.34Å; F29-F33 HydrophobicContact CE2-CB 4.5Å; F29-F33 HydrophobicContact CZ-CB 4.23Å; F29-F33 HydrophobicContact CZ-CD2 4.16Å; F29-F33 HydrophobicContact CZ-CG 4.25Å; F29-F33 VanDerWaalsContact O-CB 3.24Å; F29-F33 WeakPolarHBondContact O-CB 3.49Å; F29-F33 PolarHBondContact O-N 2.85Å; A30-F33 PolarHBondContact O-N 3.26Å; L31-F33 PolarHBondContact O-N 2.9Å; F33-E35 VanDerWaalsContact C-N 3.34Å; F33-E35 PolarHBondContact O-N 3.33Å; F33-M36 WeakPolarHBondContact O-CB 3.45Å; F33-M36 PolarHBondContact O-N 3.2Å; F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.62Å; F33-V37 HydrophobicContact CZ-CG2 3.97Å; F33-V37 WeakPolarHBondContact O-CG2 3.5Å; F33-V37 PolarHBondContact O-N 2.86Å; F33-I124 HydrophobicContact CD1-CD1 3.57Å; F33-I124 HydrophobicContact CD1-CG1 3.7Å; F33-I124 HydrophobicContact CE1-CD1 3.4Å; F33-I124 VanDerWaalsContact CE1-CD1 3.4Å; F33-I124 HydrophobicContact CE1-CG1 3.53Å; F33-I124 HydrophobicContact CE2-CD1 4.45Å; F33-I124 HydrophobicContact CG-CD1 4.17Å; F33-I124 HydrophobicContact CZ-CD1 3.88Å; F33-I124 HydrophobicContact CZ-CG1 4.41Å; F33-I128 HydrophobicContact CD1-CD1 4.19Å; F33-I128 HydrophobicContact CE1-CD1 4.32Å; F33-C139 HydrophobicContact CE1-CB 3.82Å; F33-C139 HydrophobicContact CZ-CB 4.13Å; F33-F142 HydrophobicContact CE2-CB 3.79Å; F33-F142 AromaticContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD2 4.01Å; F33-F142 AromaticContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CZ-CB 3.91Å; F33-F142 HydrophobicContact CZ-CG 4.28Å
34S86.3Confident88.5Confident41 Ų4171.1 Ų71.129%0.28739%0.385SS..Hα-helixtrans-57.4-45.9173.6-173.40000111.8A30 L31 V37 Q38A30-S34 WeakPolarHBondContact O-CB 3.41Å; A30-S34 PolarHBondContact O-N 2.8Å; L31-S34 PolarHBondContact O-N 2.84Å; S34-V37 PolarHBondContact O-N 2.77Å; S34-Q38 WeakPolarHBondContact O-CG 3.49Å; S34-Q38 PolarHBondContact O-N 2.78Å; S34-Q38 PolarHBondContact O-NE2 3.42Å; S34-Q38 PolarHBondContact OG-NE2 2.8Å
35E89.8Confident88.6Confident114 Ų11476.5 Ų76.553%0.53340%0.395SS..Hα-helixtrans-66.6-37.5176.4-74.9-57.5122.800112.5L31 L32 F33 V37 Q38 Y39L31-E35 PolarHBondContact O-N 3.05Å; L31-E35 VanDerWaalsContact O-N 3.1Å; L32-E35 PolarHBondContact O-N 2.78Å; F33-E35 VanDerWaalsContact C-N 3.34Å; F33-E35 PolarHBondContact O-N 3.33Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3Å; E35-Q38 PolarHBondContact O-N 3.3Å; E35-Q38 PolarHBondContact OE1-NE2 2.97Å; E35-Y39 WeakPolarHBondContact O-CB 3.43Å; E35-Y39 PolarHBondContact O-N 3.31Å
36M90.6Very high88.7Confident54 Ų5475.1 Ų75.127%0.26639%0.385SS..Hα-helixtrans-61.3-41.1173.9-70.4171.466.300112.1L32 F33 C40 L57L32-M36 HydrophobicContact CG-SD 4.1Å; L32-M36 VanDerWaalsContact O-CG 3.31Å; L32-M36 WeakPolarHBondContact O-CG 3.26Å; L32-M36 PolarHBondContact O-N 3.19Å; F33-M36 WeakPolarHBondContact O-CB 3.45Å; F33-M36 PolarHBondContact O-N 3.2Å; M36-C40 WeakPolarHBondContact O-CB 3.27Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 2.84Å; M36-L57 HydrophobicContact CE-CB 4.44Å; M36-L57 HydrophobicContact CE-CD1 3.8Å
37V88.3Confident88.8Confident10 Ų1074 Ų746%0.06138%0.378CS..Hα-helixtrans-64.6-49.7176.8172.40000110.5F33 S34 E35 Y39 C40 Q41 L54 L137F33-V37 HydrophobicContact CD1-CG2 4.04Å; F33-V37 HydrophobicContact CE1-CG2 3.62Å; F33-V37 HydrophobicContact CZ-CG2 3.97Å; F33-V37 WeakPolarHBondContact O-CG2 3.5Å; F33-V37 PolarHBondContact O-N 2.86Å; S34-V37 PolarHBondContact O-N 2.77Å; E35-V37 VanDerWaalsContact C-N 3.33Å; E35-V37 PolarHBondContact O-N 3Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 2.88Å; V37-C40 PolarHBondContact O-N 3.27Å; V37-Q41 WeakPolarHBondContact O-CB 3.43Å; V37-Q41 PolarHBondContact O-N 3.33Å; V37-L54 HydrophobicContact CG2-CD1 4.22Å; V37-L54 HydrophobicContact CG2-CD2 4Å; V37-L137 HydrophobicContact CG1-CD1 4.2Å; V37-L137 HydrophobicContact CG1-CD2 4.11Å
38Q87.3Confident89Confident93 Ų9374.6 Ų74.644%0.43538%0.382SS..Hα-helixtrans-60-43.5177.7-7217672.100111.9S34 E35 C40 Q41 S42S34-Q38 WeakPolarHBondContact O-CG 3.49Å; S34-Q38 PolarHBondContact O-N 2.78Å; S34-Q38 PolarHBondContact O-NE2 3.42Å; S34-Q38 PolarHBondContact OG-NE2 2.8Å; E35-Q38 PolarHBondContact O-N 3.3Å; E35-Q38 PolarHBondContact OE1-NE2 2.97Å; Q38-C40 PolarHBondContact O-N 2.68Å; Q38-Q41 PolarHBondContact O-N 3.35Å; Q38-S42 PolarHBondContact O-N 3.19Å
39Y91.8Very high89.1Confident128 Ų12876 Ų7650%0.50238%0.381SS..Hα-helixtrans-58.2-47.1175.4172.5-96.5000112E35 V37 S42 R43E35-Y39 WeakPolarHBondContact O-CB 3.43Å; E35-Y39 PolarHBondContact O-N 3.31Å; V37-Y39 VanDerWaalsContact C-N 3.34Å; V37-Y39 PolarHBondContact O-N 2.88Å; Y39-S42 PolarHBondContact O-OG 3.39Å; Y39-R43 VanDerWaalsContact CE2-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NH1 2.86Å
40C91.1Very high89.2Confident6 Ų672.3 Ų72.34%0.04137%0.365CS..Hα-helixtrans-66.1-42177.3-67.20000111.4M36 V37 Q38 S42 R43 V44 L50 R53M36-C40 WeakPolarHBondContact O-CB 3.27Å; M36-C40 PolarHBondContact O-N 2.99Å; M36-C40 PolarHBondContact O-SG 2.84Å; V37-C40 PolarHBondContact O-N 3.27Å; Q38-C40 PolarHBondContact O-N 2.68Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.01Å; C40-R43 PolarHBondContact O-N 2.85Å; C40-V44 WeakPolarHBondContact O-CG2 3.45Å; C40-L50 HydrophobicContact CB-CD1 3.45Å; C40-L50 VanDerWaalsContact CB-CD1 3.45Å; C40-R53 HydrophobicContact CB-CB 4.5Å
41Q87.3Confident89.5Confident86 Ų8674 Ų7440%0.40237%0.371SS..Hα-helixtrans-59.9-37.7-179.8-171.417831.800112.1V37 Q38 R43 L50V37-Q41 WeakPolarHBondContact O-CB 3.43Å; V37-Q41 PolarHBondContact O-N 3.33Å; Q38-Q41 PolarHBondContact O-N 3.35Å; Q41-R43 PolarHBondContact O-N 2.9Å; Q41-L50 HydrophobicContact CB-CD1 4.33Å; Q41-L50 HydrophobicContact CB-CD2 4.32Å; Q41-L50 HydrophobicContact CG-CD2 4.45Å
42S91Very high89.8Confident93 Ų9370.6 Ų70.665%0.6536%0.36SS*.THydrogen-bonded Turntrans-66.4-6.3177.372.40000114.9Q38 Y39 C40Q38-S42 PolarHBondContact O-N 3.19Å; Y39-S42 PolarHBondContact O-OG 3.39Å; C40-S42 VanDerWaalsContact C-N 3.29Å; C40-S42 PolarHBondContact O-N 3.01Å
43R94.1Very high90Very high128 Ų12871.1 Ų71.148%0.48336%0.355SS..THydrogen-bonded Turntrans-130.415-170.2-62.6177.6179.8-168.71.8113.9Y39 C40 Q41Y39-R43 VanDerWaalsContact CE2-NH1 3.35Å; Y39-R43 PolarHBondContact OH-NH1 2.86Å; C40-R43 PolarHBondContact O-N 2.85Å; Q41-R43 PolarHBondContact O-N 2.9Å
44V93.3Very high90.2Very high22 Ų2271.2 Ų71.213%0.13336%0.355CS..  trans-134.8152.8-179.4-65.20000109.5C40 E49 L50 R53C40-V44 WeakPolarHBondContact O-CG2 3.45Å; V44-E49 HydrophobicContact CB-CB 3.77Å; V44-E49 HydrophobicContact CG1-CB 3.88Å; V44-L50 HydrophobicContact CG2-CB 3.88Å; V44-L50 HydrophobicContact CG2-CD1 4.4Å; V44-R53 HydrophobicContact CG1-CG 4.14Å; V44-R53 VanDerWaalsContact CG1-NE 3.34Å
45Y90.1Very high90.6Very high223 Ų22370.2 Ų70.288%0.87535%0.35SS*.SBendtrans-100.2-10.1-176.3-58.5-80.6000112.8E49Y45-E49 PolarHBondContact N-OE2 2.96Å
46S88.6Confident90.9Very high47 Ų4769.6 Ų69.633%0.32935%0.35SS..SBendtrans-145.4157.6-176.968.40000113S48 E49 L50S46-S48 PolarHBondContact O-N 2.93Å; S46-E49 PolarHBondContact O-N 2.92Å; S46-E49 WeakPolarHBondContact OG-CG 3.17Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE1 3.25Å; S46-E49 VanDerWaalsContact OG-OE1 3.05Å; S46-L50 PolarHBondContact O-N 3.41Å
47V84.9Confident91.2Very high63 Ų6370.5 Ų70.538%0.38236%0.356SS..Hα-helixtrans-61.8-33.1173.3177.90000111.2L50 Q51V47-L50 WeakPolarHBondContact O-CB 3.4Å; V47-L50 PolarHBondContact O-N 3.04Å; V47-Q51 HydrophobicContact CG1-CG 4.49Å; V47-Q51 WeakPolarHBondContact O-CG 3.46Å; V47-Q51 PolarHBondContact O-N 2.8Å
48S88.4Confident91.5Very high84 Ų8470 Ų7059%0.58735%0.353SS*.Hα-helixtrans-65.3-44.9177.2-176.90000111.7S46 L50 Q51 A52S46-S48 PolarHBondContact O-N 2.93Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 2.96Å; S48-Q51 PolarHBondContact O-N 3.35Å; S48-A52 PolarHBondContact O-N 3.3Å
49E91.9Very high92Very high78 Ų7868.6 Ų68.636%0.36435%0.346SS..Hα-helixtrans-63.6-38.3173.6-76.6163.5-127.200112.3V44 Y45 S46 A52 R53V44-E49 HydrophobicContact CB-CB 3.77Å; V44-E49 HydrophobicContact CG1-CB 3.88Å; Y45-E49 PolarHBondContact N-OE2 2.96Å; S46-E49 PolarHBondContact O-N 2.92Å; S46-E49 WeakPolarHBondContact OG-CG 3.17Å; S46-E49 PolarHBondContact OG-N 2.82Å; S46-E49 PolarHBondContact OG-OE1 3.25Å; S46-E49 VanDerWaalsContact OG-OE1 3.05Å; E49-A52 PolarHBondContact O-N 2.87Å; E49-R53 PolarHBondContact O-N 3.39Å
50L89.6Confident92.2Very high4 Ų464.7 Ų64.72%0.02135%0.345CS..Hα-helixtrans-58.9-49.2174.3179.356.8000111C40 Q41 V44 S46 V47 S48 A52 R53 L54 L137C40-L50 HydrophobicContact CB-CD1 3.45Å; C40-L50 VanDerWaalsContact CB-CD1 3.45Å; Q41-L50 HydrophobicContact CB-CD1 4.33Å; Q41-L50 HydrophobicContact CB-CD2 4.32Å; Q41-L50 HydrophobicContact CG-CD2 4.45Å; V44-L50 HydrophobicContact CG2-CB 3.88Å; V44-L50 HydrophobicContact CG2-CD1 4.4Å; S46-L50 PolarHBondContact O-N 3.41Å; V47-L50 WeakPolarHBondContact O-CB 3.4Å; V47-L50 PolarHBondContact O-N 3.04Å; S48-L50 VanDerWaalsContact C-N 3.33Å; S48-L50 PolarHBondContact O-N 2.96Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; L50-R53 PolarHBondContact O-N 3.14Å; L50-L54 HydrophobicContact CD1-CD1 4.29Å; L50-L54 HydrophobicContact CD1-CG 4.29Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 3.05Å; L50-L137 HydrophobicContact CD2-CD1 3.54Å; L50-L137 HydrophobicContact CD2-CG 3.88Å
51Q89.3Confident92.5Very high48 Ų4867.6 Ų67.622%0.22436%0.362CS..Hα-helixtrans-61-42177.5-72.9173.5-31.600111.8V47 S48 L54 A55 N138 A141V47-Q51 HydrophobicContact CG1-CG 4.49Å; V47-Q51 WeakPolarHBondContact O-CG 3.46Å; V47-Q51 PolarHBondContact O-N 2.8Å; S48-Q51 PolarHBondContact O-N 3.35Å; Q51-L54 PolarHBondContact O-N 3.18Å; Q51-A55 WeakPolarHBondContact O-CB 3.31Å; Q51-A55 PolarHBondContact O-N 2.94Å; Q51-N138 VanDerWaalsContact NE2-CB 3.31Å; Q51-A141 HydrophobicContact CB-CB 3.72Å; Q51-A141 HydrophobicContact CG-CB 3.93Å; Q51-A141 WeakPolarHBondContact O-CB 3.39Å
52A93.2Very high92.9Very high51 Ų5163.5 Ų63.542%0.42134%0.343SS..Hα-helixtrans-60.1-49175.900000111.5S48 E49 L50 L54 A55 D56S48-A52 PolarHBondContact O-N 3.3Å; E49-A52 PolarHBondContact O-N 2.87Å; L50-A52 VanDerWaalsContact C-N 3.33Å; L50-A52 PolarHBondContact O-N 3.04Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 2.93Å; A52-A55 WeakPolarHBondContact O-CB 3.37Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-A55 VanDerWaalsContact O-N 3.15Å; A52-D56 VanDerWaalsContact O-CG 3.29Å; A52-D56 PolarHBondContact O-N 2.95Å
53R94.5Very high93.2Very high121 Ų12160.4 Ų60.446%0.45732%0.323SS..Hα-helixtrans-60.5-40.9176.2-77.5-165.3-176.9-96.74.4112.8C40 V44 E49 L50 A55 D56 L57C40-R53 HydrophobicContact CB-CB 4.5Å; V44-R53 HydrophobicContact CG1-CG 4.14Å; V44-R53 VanDerWaalsContact CG1-NE 3.34Å; E49-R53 PolarHBondContact O-N 3.39Å; L50-R53 PolarHBondContact O-N 3.14Å; R53-A55 VanDerWaalsContact C-N 3.34Å; R53-D56 PolarHBondContact O-N 3.31Å; R53-L57 WeakPolarHBondContact O-CG 3.31Å; R53-L57 PolarHBondContact O-N 3.38Å; R53-L57 VanDerWaalsContact O-N 3.13Å
54L92.8Very high93.3Very high1 Ų158.5 Ų58.51%0.00533%0.329CS..Hα-helixtrans-64.9-40.3176.4-71.1175.6000111.3V37 L50 Q51 A52 L57 G58 A141 F142V37-L54 HydrophobicContact CG2-CD1 4.22Å; V37-L54 HydrophobicContact CG2-CD2 4Å; L50-L54 HydrophobicContact CD1-CD1 4.29Å; L50-L54 HydrophobicContact CD1-CG 4.29Å; L50-L54 HydrophobicContact CG-CD1 4.21Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 3.05Å; Q51-L54 PolarHBondContact O-N 3.18Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 2.93Å; L54-L57 PolarHBondContact O-N 3.36Å; L54-G58 PolarHBondContact O-N 3.31Å; L54-A141 HydrophobicContact CB-CB 4.34Å; L54-F142 HydrophobicContact CB-CB 4.33Å; L54-F142 WeakPolarHBondContact O-CA 3.44Å; L54-F142 WeakPolarHBondContact O-CD2 3.34Å
55A94.7Very high93.3Very high21 Ų2159.1 Ų59.117%0.17433%0.332CS..Hα-helixtrans-63-41.5174.600000111.6Q51 A52 R53 L57 G58 Q59 A141 G145Q51-A55 WeakPolarHBondContact O-CB 3.31Å; Q51-A55 PolarHBondContact O-N 2.94Å; A52-A55 WeakPolarHBondContact O-CB 3.37Å; A52-A55 PolarHBondContact O-N 2.91Å; A52-A55 VanDerWaalsContact O-N 3.15Å; R53-A55 VanDerWaalsContact C-N 3.34Å; A55-L57 VanDerWaalsContact C-N 3.34Å; A55-L57 PolarHBondContact O-N 3.43Å; A55-G58 CarbonylContact O-C 3.6Å; A55-G58 WeakPolarHBondContact O-CA 3.18Å; A55-G58 PolarHBondContact O-N 3.46Å; A55-G58 VanDerWaalsContact O-N 3.08Å; A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.33Å; A55-A141 WeakPolarHBondContact CA-O 3.16Å; A55-A141 WeakPolarHBondContact CB-O 3.5Å; A55-G145 VanDerWaalsContact O-CA 3.28Å; A55-G145 WeakPolarHBondContact O-CA 3.48Å
56D96.4Very high93.6Very high100 Ų10049.1 Ų49.154%0.53529%0.293SS..Hα-helixtrans-60.4-42.5176.6-65.5-22.2000112.1A52 R53 G58 Q59 G60A52-D56 VanDerWaalsContact O-CG 3.29Å; A52-D56 PolarHBondContact O-N 2.95Å; R53-D56 PolarHBondContact O-N 3.31Å; D56-G58 VanDerWaalsContact C-N 3.32Å; D56-G58 PolarHBondContact O-N 3.48Å; D56-Q59 PolarHBondContact O-N 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.15Å; D56-G60 PolarHBondContact O-N 3.37Å
57L95.8Very high93.8Very high74 Ų7451.8 Ų51.839%0.38730%0.304SS..Hα-helixtrans-62.8-40.3173.3-66.7172000111.7M36 R53 L54 A55 Q59 G60 F142M36-L57 HydrophobicContact CE-CB 4.44Å; M36-L57 HydrophobicContact CE-CD1 3.8Å; R53-L57 WeakPolarHBondContact O-CG 3.31Å; R53-L57 PolarHBondContact O-N 3.38Å; R53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.36Å; A55-L57 VanDerWaalsContact C-N 3.34Å; A55-L57 PolarHBondContact O-N 3.43Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; L57-G60 PolarHBondContact O-N 3.44Å; L57-F142 HydrophobicContact CB-CD2 4.24Å; L57-F142 HydrophobicContact CB-CE2 4.21Å
58G95.8Very high94.2Very high0 Ų051.9 Ų51.90%030%0.304CS..Hα-helixtrans-62.4-39175.600000113L54 A55 D56 G60 V61 G62 F142 V146L54-G58 PolarHBondContact O-N 3.31Å; A55-G58 CarbonylContact O-C 3.6Å; A55-G58 WeakPolarHBondContact O-CA 3.18Å; A55-G58 PolarHBondContact O-N 3.46Å; A55-G58 VanDerWaalsContact O-N 3.08Å; D56-G58 VanDerWaalsContact C-N 3.32Å; D56-G58 PolarHBondContact O-N 3.48Å; G58-G60 VanDerWaalsContact C-N 3.33Å; G58-G60 PolarHBondContact O-N 3.35Å; G58-V61 PolarHBondContact O-N 3Å; G58-V61 VanDerWaalsContact O-N 3.14Å; G58-G62 PolarHBondContact O-N 3.26Å; G58-F142 VanDerWaalsContact CA-CE2 3.5Å; G58-F142 WeakPolarHBondContact CA-O 3.39Å; G58-V146 WeakPolarHBondContact O-CA 3.41Å; G58-V146 VanDerWaalsContact O-CG2 3.25Å; G58-V146 WeakPolarHBondContact O-CG2 3.32Å; G58-V146 PolarHBondContact O-N 3.06Å
59Q97.6Very high94.5Very high63 Ų6348.1 Ų48.129%0.29428%0.277SS..Hα-helixtrans-60-42179.4-74.8177.959.700112.3A55 D56 L57 V61 G62 A63 G145 A149A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.33Å; D56-Q59 PolarHBondContact O-N 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.15Å; L57-Q59 VanDerWaalsContact C-N 3.35Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.46Å; Q59-G62 PolarHBondContact O-N 2.93Å; Q59-A63 PolarHBondContact O-N 3.31Å; Q59-G145 WeakPolarHBondContact CA-O 3.13Å; Q59-G145 VanDerWaalsContact CG-O 3.28Å; Q59-G145 WeakPolarHBondContact CG-O 3.46Å; Q59-A149 HydrophobicContact CB-CB 3.99Å; Q59-A149 HydrophobicContact CG-CB 4.17Å; Q59-A149 VanDerWaalsContact O-CB 3.23Å; Q59-A149 WeakPolarHBondContact O-CB 3.33Å
60G96.4Very high94.6Very high46 Ų4645.6 Ų45.647%0.47427%0.267SS..Hα-helixtrans-60.2-39.2176.200000113D56 L57 G58 S64D56-G60 PolarHBondContact O-N 3.37Å; L57-G60 PolarHBondContact O-N 3.44Å; G58-G60 VanDerWaalsContact C-N 3.33Å; G58-G60 PolarHBondContact O-N 3.35Å; G60-S64 PolarHBondContact O-OG 2.82Å
61V96.3Very high94.7Very high67 Ų6751.3 Ų51.341%0.40630%0.297SS..Hα-helixtrans-68.9-45.1175177.50000110.9G58 Q59 A63 S64 L65 F142 V146G58-V61 PolarHBondContact O-N 3Å; G58-V61 VanDerWaalsContact O-N 3.14Å; Q59-V61 VanDerWaalsContact C-N 3.3Å; Q59-V61 PolarHBondContact O-N 3.46Å; V61-A63 PolarHBondContact O-N 2.94Å; V61-S64 PolarHBondContact O-N 2.88Å; V61-L65 VanDerWaalsContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CB 3.23Å; V61-L65 PolarHBondContact O-N 3.14Å; V61-F142 HydrophobicContact CB-CZ 4.42Å; V61-F142 HydrophobicContact CG2-CE2 4.42Å; V61-F142 HydrophobicContact CG2-CZ 4.02Å; V61-V146 HydrophobicContact CB-CG2 4.3Å; V61-V146 HydrophobicContact CG1-CG2 4.43Å
62G96.9Very high94.6Very high0 Ų055.9 Ų55.90%031%0.313CS..Hα-helixtrans-60-41.7-18000000113.5G58 Q59 S64 L65 L66 I150G58-G62 PolarHBondContact O-N 3.26Å; Q59-G62 PolarHBondContact O-N 2.93Å; G62-S64 VanDerWaalsContact C-N 3.31Å; G62-S64 PolarHBondContact O-N 3.36Å; G62-L65 PolarHBondContact O-N 3.18Å; G62-L66 PolarHBondContact O-N 3.08Å; G62-L66 VanDerWaalsContact O-N 3.12Å; G62-I150 WeakPolarHBondContact O-CG1 3.37Å
63A96.1Very high94.4Very high28 Ų2856.9 Ų56.923%0.23131%0.309CS..Hα-helixtrans-58.7-42.3176.700000112.2Q59 V61Q59-A63 PolarHBondContact O-N 3.31Å; V61-A63 PolarHBondContact O-N 2.94Å
64S95.8Very high94.1Very high87 Ų8754.2 Ų54.261%0.60830%0.3SS*.Hα-helixtrans-76.4-31.7178.2-57.70000112.8G60 V61 G62G60-S64 PolarHBondContact O-OG 2.82Å; V61-S64 PolarHBondContact O-N 2.88Å; G62-S64 VanDerWaalsContact C-N 3.31Å; G62-S64 PolarHBondContact O-N 3.36Å
65L94.9Very high94Very high36 Ų3661.4 Ų61.419%0.18834%0.338CS..Hα-helixtrans-72.2-34.1-175.7-17462.1000112.3V61 G62 D67 V68 L69 V93 L97 V146 I150V61-L65 VanDerWaalsContact O-CB 3.29Å; V61-L65 WeakPolarHBondContact O-CB 3.23Å; V61-L65 PolarHBondContact O-N 3.14Å; G62-L65 PolarHBondContact O-N 3.18Å; L65-D67 PolarHBondContact O-N 3.03Å; L65-V68 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD1-CD1 4.01Å; L65-L69 HydrophobicContact CD1-CD2 4.33Å; L65-L69 HydrophobicContact CD1-CG 3.9Å; L65-L69 HydrophobicContact CD2-CD1 4.11Å; L65-L69 HydrophobicContact CG-CD1 3.71Å; L65-L69 HydrophobicContact CG-CG 4.01Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.41Å; L65-V93 HydrophobicContact CD2-CG1 4.49Å; L65-L97 HydrophobicContact CD2-CD2 4.13Å; L65-V146 HydrophobicContact CD2-CG1 4.25Å; L65-I150 HydrophobicContact CD2-CD1 4.4Å
66L95.9Very high93.7Very high13 Ų1362.2 Ų62.27%0.06835%0.349CS..Hα-helixtrans-51.8-59.3-177.5173.457.7000112.4G62 V68 L69 V70 F88 I150 H153 S154G62-L66 PolarHBondContact O-N 3.08Å; G62-L66 VanDerWaalsContact O-N 3.12Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.85Å; L66-L69 PolarHBondContact O-N 3.19Å; L66-V70 HydrophobicContact CD1-CG2 3.78Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.44Å; L66-F88 HydrophobicContact CD1-CE1 4.03Å; L66-I150 HydrophobicContact CB-CG1 4.33Å; L66-I150 HydrophobicContact CD1-CG2 4.26Å; L66-H153 HydrophobicContact CD2-CB 3.64Å; L66-S154 WeakPolarHBondContact CD1-OG 3.48Å; L66-S154 WeakPolarHBondContact CD2-OG 3.24Å
67D93.3Very high93.4Very high103 Ų10363.6 Ų63.655%0.55135%0.35SS*.Hα-helixtrans-63.9-39.2-174-66.3-38.4000111.7L65 L69 V70 L71L65-D67 PolarHBondContact O-N 3.03Å; D67-L69 PolarHBondContact O-N 3.13Å; D67-V70 PolarHBondContact O-N 2.92Å; D67-L71 WeakPolarHBondContact O-CB 3.38Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.35Å; D67-L71 PolarHBondContact O-N 2.66Å
68V92.8Very high93.3Very high65 Ų6567.8 Ų67.839%0.39436%0.361SS..Hα-helixtrans-62.6-44.5178.9176.60000111.1L65 L66 R72L65-V68 PolarHBondContact O-N 2.85Å; L66-V68 VanDerWaalsContact C-N 3.31Å; L66-V68 PolarHBondContact O-N 2.85Å; V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 2.85Å; V68-R72 VanDerWaalsContact O-N 3.11Å
69L93.8Very high93.2Very high4 Ų468.8 Ų68.82%0.02137%0.366CS..Hα-helixtrans-71.4-41.2179.5-68.8-176.7000111.9L65 L66 D67 R72 E73 F88 V93 A96L65-L69 HydrophobicContact CD1-CD1 4.01Å; L65-L69 HydrophobicContact CD1-CD2 4.33Å; L65-L69 HydrophobicContact CD1-CG 3.9Å; L65-L69 HydrophobicContact CD2-CD1 4.11Å; L65-L69 HydrophobicContact CG-CD1 3.71Å; L65-L69 HydrophobicContact CG-CG 4.01Å; L65-L69 WeakPolarHBondContact O-CG 3.31Å; L65-L69 PolarHBondContact O-N 3.41Å; L66-L69 PolarHBondContact O-N 3.19Å; D67-L69 PolarHBondContact O-N 3.13Å; L69-R72 PolarHBondContact O-N 3.37Å; L69-E73 WeakPolarHBondContact O-CB 3.43Å; L69-E73 PolarHBondContact O-N 2.83Å; L69-F88 HydrophobicContact CB-CE2 4.15Å; L69-F88 HydrophobicContact CB-CZ 3.81Å; L69-F88 HydrophobicContact CD1-CZ 4.33Å; L69-V93 HydrophobicContact CD1-CB 4.48Å; L69-V93 HydrophobicContact CD1-CG2 4.06Å; L69-A96 HydrophobicContact CD1-CB 3.97Å; L69-A96 HydrophobicContact CD2-CB 3.79Å; L69-A96 HydrophobicContact CG-CB 4.5Å
70V94.1Very high93.1Very high25 Ų2569.9 Ų69.915%0.15238%0.377CS..Hα-helixtrans-63.1-44.7178.5169.20000111.2L66 D67 K74 N75 G76 F88L66-V70 HydrophobicContact CD1-CG2 3.78Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 3.44Å; D67-V70 PolarHBondContact O-N 2.92Å; V70-K74 HydrophobicContact CG1-CB 4.48Å; V70-K74 CarbonylContact O-C 3.52Å; V70-K74 WeakPolarHBondContact O-CA 3.39Å; V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å; V70-N75 PolarHBondContact O-N 2.99Å; V70-G76 PolarHBondContact O-N 2.95Å; V70-F88 HydrophobicContact CG2-CZ 4.05Å
71L91.4Very high93.1Very high125 Ų12571.6 Ų71.665%0.65437%0.371SS*.Hα-helixtrans-67.8-39.2178.7-70.6172.2000112.4D67D67-L71 WeakPolarHBondContact O-CB 3.38Å; D67-L71 VanDerWaalsContact O-CG 3.26Å; D67-L71 WeakPolarHBondContact O-CG 3.35Å; D67-L71 PolarHBondContact O-N 2.66Å
72R88.6Confident93.2Very high144 Ų14468.4 Ų68.454%0.54335%0.352SS..Hα-helixtrans-81.2-38.1-174.8-171.3-175.5-64.5167.6-0.7113.7V68 L69V68-R72 WeakPolarHBondContact O-CB 3.45Å; V68-R72 PolarHBondContact O-N 2.85Å; V68-R72 VanDerWaalsContact O-N 3.11Å; L69-R72 PolarHBondContact O-N 3.37Å
73E88.6Confident93.2Very high72 Ų7273.5 Ų73.534%0.33638%0.379SS..Hα-helixtrans-114-19.4-169.5-57.8-170.7179.400113.8L69 S92L69-E73 WeakPolarHBondContact O-CB 3.43Å; L69-E73 PolarHBondContact O-N 2.83Å; E73-S92 WeakPolarHBondContact OE2-CB 3.41Å; E73-S92 PolarHBondContact OE2-OG 3.08Å
74K88.6Confident93.2Very high65 Ų6574.7 Ų74.728%0.28338%0.381SS..SBendtrans-115.28.9-177.6-58.1-64.5-175.6176.90113V70 G76 K77 F88V70-K74 HydrophobicContact CG1-CB 4.48Å; V70-K74 CarbonylContact O-C 3.52Å; V70-K74 WeakPolarHBondContact O-CA 3.39Å; V70-K74 WeakPolarHBondContact O-CB 3.34Å; V70-K74 PolarHBondContact O-N 3.04Å; K74-G76 PolarHBondContact O-N 3.05Å; K74-K77 HydrophobicContact CB-CB 4.4Å; K74-K77 WeakPolarHBondContact O-CB 3.28Å; K74-K77 PolarHBondContact O-N 3.12Å; K74-F88 HydrophobicContact CG-CD2 4.26Å; K74-F88 HydrophobicContact CG-CE2 4.16Å
75N89.3Confident93.3Very high151 Ų15170.7 Ų70.781%0.80735%0.353SS*.THydrogen-bonded Turntrans52.935.7-178-60.426.2000112.3V70 K77V70-N75 PolarHBondContact O-N 2.99Å; N75-K77 PolarHBondContact O-N 3.49Å
76G88.6Confident93.5Very high39 Ų3969 Ų6940%0.40234%0.344SS..THydrogen-bonded Turntrans75.76.4-177.100000114.8V70 K74 R78V70-G76 PolarHBondContact O-N 2.95Å; K74-G76 PolarHBondContact O-N 3.05Å; G76-R78 PolarHBondContact O-N 3.44Å
77K91.9Very high93.5Very high128 Ų12871.9 Ų71.956%0.55736%0.359SS*.PPolyproline II helixtrans-72.1120.2177.1-174.8-176.3175.1-172.60110.4K74 N75K74-K77 HydrophobicContact CB-CB 4.4Å; K74-K77 WeakPolarHBondContact O-CB 3.28Å; K74-K77 PolarHBondContact O-N 3.12Å; N75-K77 PolarHBondContact O-N 3.49Å
78R91.9Very high93.7Very high162 Ų16267.1 Ų67.161%0.61133%0.333SS*.PPolyproline II helixtrans-86.9133.7171.1-174.3177.1171.8-155.1-0.4110.5G76 S154G76-R78 PolarHBondContact O-N 3.44Å; R78-S154 PolarHBondContact NE-O 3.32Å; R78-S154 PolarHBondContact NH2-O 2.95Å
79E95.1Very high94Very high21 Ų2164 Ų6410%0.09832%0.315CS..PPolyproline II helixtrans-79.1141.6176.7-58.8-58.7167.400111.6N84 I85 F156E79-N84 HydrophobicContact CB-CB 4.14Å; E79-N84 HydrophobicContact CG-CB 4.07Å; E79-N84 VanDerWaalsContact OE2-CB 3.23Å; E79-N84 WeakPolarHBondContact OE2-CB 3.3Å; E79-N84 PolarHBondContact OE2-ND2 3.46Å; E79-I85 HydrophobicContact CB-CB 4.27Å; E79-I85 HydrophobicContact CB-CD1 4.3Å; E79-F156 WeakPolarHBondContact O-CE2 3.48Å
80T95.1Very high94.1Very high86 Ų8665.6 Ų65.653%0.52832%0.322SS..  trans-118.4-18.5-178.8550000113.6
81K96.9Very high94.2Very high83 Ų8366.1 Ų66.136%0.36133%0.325SS..SBendtrans-101.6143.2179.3-62.7-166.5174.6-164.10111.7L83 N84 I85 D182K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.31Å; K81-N84 HydrophobicContact CB-CB 4.45Å; K81-N84 PolarHBondContact O-N 3.39Å; K81-I85 PolarHBondContact O-N 2.63Å; K81-D182 VanDerWaalsContact CA-OD1 3.26Å; K81-D182 WeakPolarHBondContact CA-OD1 2.84Å
82V97.4Very high94.4Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-58.2-46.2180171.60000111.2N84 I85 L86 Y115 F156 F174 V178 I179 D182V82-N84 VanDerWaalsContact C-N 3.3Å; V82-N84 PolarHBondContact O-N 3.49Å; V82-I85 WeakPolarHBondContact O-CG2 3.33Å; V82-I85 PolarHBondContact O-N 3.38Å; V82-L86 HydrophobicContact CG1-CD1 3.79Å; V82-L86 HydrophobicContact CG1-CG 4.33Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.46Å; V82-Y115 HydrophobicContact CG1-CE2 3.94Å; V82-F156 HydrophobicContact CG2-CD1 4.06Å; V82-F156 HydrophobicContact CG2-CE1 4.15Å; V82-F174 HydrophobicContact CG1-CD2 4.16Å; V82-F174 HydrophobicContact CG1-CE2 3.63Å; V82-F174 HydrophobicContact CG1-CZ 4.08Å; V82-V178 HydrophobicContact CG2-CG1 3.79Å; V82-I179 HydrophobicContact CG2-CD1 4.28Å; V82-D182 WeakPolarHBondContact CB-OD2 3.44Å; V82-D182 HydrophobicContact CG2-CB 3.78Å; V82-D182 VanDerWaalsContact CG2-CG 3.47Å; V82-D182 PolarHBondContact N-OD1 3.3Å
83L96.3Very high94.8Very high107 Ų10753.6 Ų53.656%0.5627%0.27SS*.Hα-helixtrans-57.1-43.5178.6-172.174.3000112.1K81 L86 L87K81-L83 VanDerWaalsContact C-N 3.35Å; K81-L83 PolarHBondContact O-N 3.31Å; L83-L86 PolarHBondContact O-N 2.96Å; L83-L87 HydrophobicContact CG-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.36Å
84N96.9Very high95Very high53 Ų5350.2 Ų50.228%0.28325%0.254SS..Hα-helixtrans-68.8-40.5-176.8-70.64.7000112.4E79 K81 V82 L86 L87 F88E79-N84 HydrophobicContact CB-CB 4.14Å; E79-N84 HydrophobicContact CG-CB 4.07Å; E79-N84 VanDerWaalsContact OE2-CB 3.23Å; E79-N84 WeakPolarHBondContact OE2-CB 3.3Å; E79-N84 PolarHBondContact OE2-ND2 3.46Å; K81-N84 HydrophobicContact CB-CB 4.45Å; K81-N84 PolarHBondContact O-N 3.39Å; V82-N84 VanDerWaalsContact C-N 3.3Å; V82-N84 PolarHBondContact O-N 3.49Å; N84-L86 VanDerWaalsContact C-N 3.34Å; N84-L87 PolarHBondContact O-N 2.95Å; N84-F88 WeakPolarHBondContact O-CB 3.23Å; N84-F88 PolarHBondContact O-N 3.48Å
85I97.9Very high95.2Very high3 Ų352.8 Ų52.82%0.01526%0.262CS..Hα-helixtrans-69.3-34.9178-16868.9000111.2E79 K81 V82 F88 I89 L151 F156E79-I85 HydrophobicContact CB-CB 4.27Å; E79-I85 HydrophobicContact CB-CD1 4.3Å; K81-I85 PolarHBondContact O-N 2.63Å; V82-I85 WeakPolarHBondContact O-CG2 3.33Å; V82-I85 PolarHBondContact O-N 3.38Å; I85-F88 HydrophobicContact CD1-CB 4.46Å; I85-F88 HydrophobicContact CD1-CD1 3.8Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.38Å; I85-I89 WeakPolarHBondContact O-CG1 3.11Å; I85-I89 PolarHBondContact O-N 3.23Å; I85-L151 HydrophobicContact CG1-CD2 3.82Å; I85-L151 HydrophobicContact CG2-CD2 4.1Å; I85-F156 HydrophobicContact CB-CD2 4.19Å; I85-F156 HydrophobicContact CB-CE2 3.92Å; I85-F156 HydrophobicContact CB-CZ 4.1Å; I85-F156 HydrophobicContact CD1-CE2 4.46Å; I85-F156 HydrophobicContact CG1-CD2 4.01Å; I85-F156 HydrophobicContact CG1-CE2 4.07Å; I85-F156 HydrophobicContact CG2-CD1 3.81Å; I85-F156 HydrophobicContact CG2-CD2 3.95Å; I85-F156 HydrophobicContact CG2-CE1 3.81Å; I85-F156 HydrophobicContact CG2-CE2 3.96Å; I85-F156 HydrophobicContact CG2-CG 3.89Å; I85-F156 HydrophobicContact CG2-CZ 3.88Å
86L98.3Very high95.3Very high0 Ų048 Ų480%024%0.243CC..Hα-helixtrans-65-40.7172.7-69.6172.5000111.9V82 L83 N84 I89 K90 L105 Y115 I172 F174V82-L86 HydrophobicContact CG1-CD1 3.79Å; V82-L86 HydrophobicContact CG1-CG 4.33Å; V82-L86 VanDerWaalsContact O-CG 3.32Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.46Å; L83-L86 PolarHBondContact O-N 2.96Å; N84-L86 VanDerWaalsContact C-N 3.34Å; L86-I89 PolarHBondContact O-N 3.05Å; L86-K90 PolarHBondContact O-N 3.33Å; L86-L105 HydrophobicContact CB-CD1 4.19Å; L86-L105 HydrophobicContact CB-CD2 3.9Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; L86-Y115 HydrophobicContact CD1-CD1 3.42Å; L86-Y115 VanDerWaalsContact CD1-CD1 3.42Å; L86-Y115 HydrophobicContact CD1-CD2 3.98Å; L86-Y115 HydrophobicContact CD1-CE1 3.7Å; L86-Y115 HydrophobicContact CD1-CE2 4.23Å; L86-Y115 HydrophobicContact CD1-CG 3.56Å; L86-I172 HydrophobicContact CD2-CD1 3.83Å; L86-F174 HydrophobicContact CD1-CE2 4.23Å; L86-F174 HydrophobicContact CD2-CE2 4.05Å; L86-F174 HydrophobicContact CD2-CZ 3.91Å; L86-F174 HydrophobicContact CG-CE2 4.33Å; L86-F174 HydrophobicContact CG-CZ 4.27Å
87L97.6Very high95.3Very high74 Ų7448.5 Ų48.539%0.38724%0.236SC..Hα-helixtrans-66.3-36.8173.7-72.3173.4000112.3L83 N84 I89 K90 V91 L105L83-L87 HydrophobicContact CG-CD1 4.24Å; L83-L87 WeakPolarHBondContact O-CG 3.42Å; L83-L87 PolarHBondContact O-N 3.36Å; N84-L87 PolarHBondContact O-N 2.95Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 2.93Å; L87-K90 HydrophobicContact CD2-CD 4.43Å; L87-K90 PolarHBondContact O-N 3.13Å; L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.36Å; L87-L105 HydrophobicContact CD2-CD2 4.22Å
88F97.3Very high95.1Very high2 Ų244.2 Ų44.21%0.00922%0.218CC..Hα-helixtrans-58.9-41.5172.1172.2-114.4000111.5L66 L69 V70 K74 N84 I85 S92 V93 I150L66-F88 HydrophobicContact CD1-CE1 4.03Å; L69-F88 HydrophobicContact CB-CE2 4.15Å; L69-F88 HydrophobicContact CB-CZ 3.81Å; L69-F88 HydrophobicContact CD1-CZ 4.33Å; V70-F88 HydrophobicContact CG2-CZ 4.05Å; K74-F88 HydrophobicContact CG-CD2 4.26Å; K74-F88 HydrophobicContact CG-CE2 4.16Å; N84-F88 WeakPolarHBondContact O-CB 3.23Å; N84-F88 PolarHBondContact O-N 3.48Å; I85-F88 HydrophobicContact CD1-CB 4.46Å; I85-F88 HydrophobicContact CD1-CD1 3.8Å; I85-F88 WeakPolarHBondContact O-CB 3.31Å; I85-F88 PolarHBondContact O-N 3.38Å; F88-S92 VanDerWaalsContact CD2-CB 3.49Å; F88-S92 VanDerWaalsContact CE2-CB 3.47Å; F88-S92 WeakPolarHBondContact O-CB 3.4Å; F88-S92 PolarHBondContact O-N 3.34Å; F88-V93 HydrophobicContact CD1-CG2 4.08Å; F88-V93 HydrophobicContact CE1-CG2 3.78Å; F88-V93 HydrophobicContact CZ-CG2 4.12Å; F88-V93 PolarHBondContact O-N 3.33Å; F88-V93 VanDerWaalsContact O-N 3.13Å; F88-I150 HydrophobicContact CD1-CG2 4.4Å; F88-I150 HydrophobicContact CE1-CG2 4.08Å
89I97.7Very high94.9Very high0 Ų039.6 Ų39.60%022%0.221CC..Iπ-helixtrans-67.1-51.6176-65.4158000111.1I85 L86 L87 V91 V93 W94 I117 V147 I150 L151I85-I89 WeakPolarHBondContact O-CG1 3.11Å; I85-I89 PolarHBondContact O-N 3.23Å; L86-I89 PolarHBondContact O-N 3.05Å; L87-I89 VanDerWaalsContact C-N 3.28Å; L87-I89 PolarHBondContact O-N 2.93Å; I89-V91 PolarHBondContact O-N 3.42Å; I89-V93 HydrophobicContact CG1-CG2 4.31Å; I89-W94 HydrophobicContact CG2-CE3 3.91Å; I89-W94 HydrophobicContact CG2-CZ3 3.64Å; I89-W94 PolarHBondContact O-N 3.39Å; I89-W94 VanDerWaalsContact O-N 3.08Å; I89-I117 HydrophobicContact CB-CD1 4.19Å; I89-I117 HydrophobicContact CG2-CD1 3.4Å; I89-I117 VanDerWaalsContact CG2-CD1 3.4Å; I89-V147 HydrophobicContact CD1-CG1 3.97Å; I89-V147 HydrophobicContact CG2-CG1 4.11Å; I89-V147 HydrophobicContact CG2-CG2 3.91Å; I89-I150 HydrophobicContact CG1-CG2 4.27Å; I89-L151 HydrophobicContact CD1-CD1 4.15Å; I89-L151 HydrophobicContact CD1-CD2 3.33Å; I89-L151 HydrophobicContact CD1-CG 3.62Å
90K97.1Very high94.7Very high38 Ų3842.3 Ų42.317%0.16523%0.232CC..Iπ-helixtrans-54.5-37.2-179.9171179.517270.10112.8L86 L87 W94 A102 D103 L105L86-K90 PolarHBondContact O-N 3.33Å; L87-K90 HydrophobicContact CD2-CD 4.43Å; L87-K90 PolarHBondContact O-N 3.13Å; K90-W94 VanDerWaalsContact O-CB 3.23Å; K90-W94 WeakPolarHBondContact O-CB 3.45Å; K90-A102 HydrophobicContact CB-CB 4.49Å; K90-A102 HydrophobicContact CG-CB 4.05Å; K90-A102 PolarHBondContact NZ-O 3.23Å; K90-A102 PolarHBondContact O-N 3.49Å; K90-D103 PolarHBondContact NZ-O 3.36Å; K90-L105 HydrophobicContact CD-CB 3.94Å
91V96.3Very high94.7Very high36 Ų3642.1 Ų42.122%0.21823%0.225CC..Iπ-helixtrans-102.7-68.8-171.8179.20000111.7L87 I89 R95 E101L87-V91 WeakPolarHBondContact O-CB 3.34Å; L87-V91 WeakPolarHBondContact O-CG2 3.48Å; L87-V91 PolarHBondContact O-N 3.36Å; I89-V91 PolarHBondContact O-N 3.42Å; V91-R95 WeakPolarHBondContact O-CB 3.4Å; V91-R95 PolarHBondContact O-N 3.14Å; V91-E101 HydrophobicContact CG1-CG 4.24Å; V91-E101 WeakPolarHBondContact CG1-OE1 3.42Å; V91-E101 HydrophobicContact CG2-CG 4.44Å
92S95.8Very high94.6Very high6 Ų638.3 Ų38.34%0.04221%0.209CC..Iπ-helixtrans-71.7-50.5-170.2-75.80000112E73 F88 W94 R95 A96E73-S92 WeakPolarHBondContact OE2-CB 3.41Å; E73-S92 PolarHBondContact OE2-OG 3.08Å; F88-S92 VanDerWaalsContact CD2-CB 3.49Å; F88-S92 VanDerWaalsContact CE2-CB 3.47Å; F88-S92 WeakPolarHBondContact O-CB 3.4Å; F88-S92 PolarHBondContact O-N 3.34Å; S92-W94 PolarHBondContact O-N 3.5Å; S92-R95 PolarHBondContact O-N 3.43Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 2.86Å
93V95.4Very high94.5Very high0 Ų041.9 Ų41.90%023%0.228CC..Iπ-helixtrans-64.5-45.2-179.3-1790000110.1L65 L69 F88 I89 R95 A96 L97 I150L65-V93 HydrophobicContact CD2-CG1 4.49Å; L69-V93 HydrophobicContact CD1-CB 4.48Å; L69-V93 HydrophobicContact CD1-CG2 4.06Å; F88-V93 HydrophobicContact CD1-CG2 4.08Å; F88-V93 HydrophobicContact CE1-CG2 3.78Å; F88-V93 HydrophobicContact CZ-CG2 4.12Å; F88-V93 PolarHBondContact O-N 3.33Å; F88-V93 VanDerWaalsContact O-N 3.13Å; I89-V93 HydrophobicContact CG1-CG2 4.31Å; V93-R95 PolarHBondContact O-N 2.97Å; V93-A96 WeakPolarHBondContact O-CB 3.42Å; V93-A96 PolarHBondContact O-N 2.87Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 2.99Å; V93-I150 HydrophobicContact CB-CD1 4.38Å; V93-I150 HydrophobicContact CG1-CD1 3.68Å; V93-I150 HydrophobicContact CG2-CD1 3.72Å; V93-I150 HydrophobicContact CG2-CG2 4.48Å
94W94.2Very high94.5Very high1 Ų141.7 Ų41.70%0.00422%0.223CC..Hα-helixtrans-61.9-43.5178.6-123.1-107.9000113.3I89 K90 S92 A96 L97 F98 K100 A102 I117 E119 L123 T143 V147 L170I89-W94 HydrophobicContact CG2-CE3 3.91Å; I89-W94 HydrophobicContact CG2-CZ3 3.64Å; I89-W94 PolarHBondContact O-N 3.39Å; I89-W94 VanDerWaalsContact O-N 3.08Å; K90-W94 VanDerWaalsContact O-CB 3.23Å; K90-W94 WeakPolarHBondContact O-CB 3.45Å; S92-W94 PolarHBondContact O-N 3.5Å; W94-A96 VanDerWaalsContact C-N 3.3Å; W94-A96 PolarHBondContact O-N 2.87Å; W94-L97 PolarHBondContact O-N 3.12Å; W94-F98 AromaticContact CD1-CD2 3.6Å; W94-F98 HydrophobicContact CD2-CD2 4.12Å; W94-F98 HydrophobicContact CD2-CE2 4.09Å; W94-F98 AromaticContact CE2-CE2 3.96Å; W94-F98 AromaticContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CE2 4.32Å; W94-F98 HydrophobicContact CZ2-CE2 4.5Å; W94-F98 AromaticContact NE1-CD2 3.76Å; W94-F98 WeakPolarHBondContact O-CB 3.34Å; W94-F98 PolarHBondContact O-N 3.05Å; W94-K100 CarbonylContact C-O 3.12Å; W94-K100 WeakPolarHBondContact CB-O 3.34Å; W94-A102 VanDerWaalsContact CD1-N 3.3Å; W94-A102 HydrophobicContact CD2-CB 3.8Å; W94-A102 HydrophobicContact CG-CB 3.76Å; W94-A102 HydrophobicContact CZ2-CB 4.14Å; W94-I117 HydrophobicContact CH2-CB 4.05Å; W94-I117 HydrophobicContact CH2-CD1 4.07Å; W94-I117 HydrophobicContact CH2-CG2 3.38Å; W94-I117 HydrophobicContact CZ2-CG2 3.46Å; W94-I117 VanDerWaalsContact CZ2-CG2 3.46Å; W94-I117 HydrophobicContact CZ3-CD1 3.87Å; W94-I117 HydrophobicContact CZ3-CG2 4.06Å; W94-E119 HydrophobicContact CZ2-CG 3.99Å; W94-E119 PolarHBondContact NE1-OE1 3.05Å; W94-L123 HydrophobicContact CZ2-CD1 3.8Å; W94-L123 HydrophobicContact CZ2-CD2 4.37Å; W94-T143 HydrophobicContact CH2-CG2 4.41Å; W94-V147 HydrophobicContact CZ3-CG2 3.94Å; W94-L170 HydrophobicContact CH2-CD1 3.35Å; W94-L170 HydrophobicContact CZ2-CD1 3.98Å; W94-L170 HydrophobicContact CZ3-CD1 4.33Å
95R92.2Very high94.5Very high118 Ų11841.5 Ų41.545%0.44522%0.221SC..Hα-helixtrans-65.2-36.1176.4-169.6-178-60168.1-0.2111.8V91 S92 V93 L97 G99 K100 E101V91-R95 WeakPolarHBondContact O-CB 3.4Å; V91-R95 PolarHBondContact O-N 3.14Å; S92-R95 PolarHBondContact O-N 3.43Å; V93-R95 PolarHBondContact O-N 2.97Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-G99 VanDerWaalsContact O-CA 3.24Å; R95-G99 WeakPolarHBondContact O-CA 3.28Å; R95-G99 PolarHBondContact O-N 2.92Å; R95-K100 WeakPolarHBondContact CA-O 3.44Å; R95-K100 PolarHBondContact N-O 3.22Å; R95-E101 IonicContact CZ-OE1 3.89Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 3.38Å
96A90.8Very high94.5Very high50 Ų5044.1 Ų44.141%0.41323%0.234SC..Hα-helixtrans-66.7-34.817600000112.8L69 S92 V93 W94L69-A96 HydrophobicContact CD1-CB 3.97Å; L69-A96 HydrophobicContact CD2-CB 3.79Å; L69-A96 HydrophobicContact CG-CB 4.5Å; S92-A96 WeakPolarHBondContact O-CB 3.46Å; S92-A96 PolarHBondContact O-N 2.86Å; V93-A96 WeakPolarHBondContact O-CB 3.42Å; V93-A96 PolarHBondContact O-N 2.87Å; W94-A96 VanDerWaalsContact C-N 3.3Å; W94-A96 PolarHBondContact O-N 2.87Å
97L89.4Confident94.4Very high50 Ų5048.7 Ų48.726%0.26226%0.255SS..Hα-helixtrans-86.7-39.7-179.1-65.9175.4000113.2L65 V93 W94 R95 T143 V146L65-L97 HydrophobicContact CD2-CD2 4.13Å; V93-L97 HydrophobicContact CG1-CD1 3.88Å; V93-L97 HydrophobicContact CG1-CG 4.4Å; V93-L97 WeakPolarHBondContact O-CG 3.45Å; V93-L97 PolarHBondContact O-N 2.99Å; W94-L97 PolarHBondContact O-N 3.12Å; R95-L97 VanDerWaalsContact C-N 3.34Å; L97-T143 HydrophobicContact CD1-CG2 4.18Å; L97-V146 HydrophobicContact CD1-CG1 4.17Å
98F87.3Confident94.3Very high39 Ų3945.9 Ų45.917%0.17124%0.242CC..Hα-helixtrans-126.5-2.1-165.6-51.2-60.4000114.1W94 K100 L123 F127 T143W94-F98 AromaticContact CD1-CD2 3.6Å; W94-F98 HydrophobicContact CD2-CD2 4.12Å; W94-F98 HydrophobicContact CD2-CE2 4.09Å; W94-F98 AromaticContact CE2-CE2 3.96Å; W94-F98 AromaticContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CD2 3.87Å; W94-F98 HydrophobicContact CG-CE2 4.32Å; W94-F98 HydrophobicContact CZ2-CE2 4.5Å; W94-F98 AromaticContact NE1-CD2 3.76Å; W94-F98 WeakPolarHBondContact O-CB 3.34Å; W94-F98 PolarHBondContact O-N 3.05Å; F98-K100 HydrophobicContact CB-CG 4.36Å; F98-K100 PolarHBondContact O-N 3.39Å; F98-K100 VanDerWaalsContact O-N 3.15Å; F98-L123 HydrophobicContact CD1-CB 4.46Å; F98-L123 HydrophobicContact CD1-CD2 4.16Å; F98-L123 HydrophobicContact CD2-CD2 3.63Å; F98-L123 HydrophobicContact CE1-CB 3.85Å; F98-L123 HydrophobicContact CE1-CD2 4.1Å; F98-L123 HydrophobicContact CE1-CG 4.43Å; F98-L123 HydrophobicContact CE2-CB 4.46Å; F98-L123 HydrophobicContact CE2-CD1 3.9Å; F98-L123 HydrophobicContact CE2-CD2 3.55Å; F98-L123 HydrophobicContact CE2-CG 4.18Å; F98-L123 HydrophobicContact CG-CD2 3.94Å; F98-L123 HydrophobicContact CZ-CB 3.86Å; F98-L123 HydrophobicContact CZ-CD1 3.83Å; F98-L123 HydrophobicContact CZ-CD2 3.82Å; F98-L123 HydrophobicContact CZ-CG 4.06Å; F98-F127 AromaticContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CZ 4.37Å; F98-F127 HydrophobicContact CE1-CE2 4.26Å; F98-T143 HydrophobicContact CE2-CG2 4.01Å; F98-T143 HydrophobicContact CZ-CG2 3.83Å
99G88.8Confident94.1Very high65 Ų6553.3 Ų53.367%0.6728%0.282SS*.SBendtrans70.44.1-17800000114.8R95R95-G99 VanDerWaalsContact O-CA 3.24Å; R95-G99 WeakPolarHBondContact O-CA 3.28Å; R95-G99 PolarHBondContact O-N 2.92Å
100K91.3Very high93.9Very high78 Ų7861.3 Ų61.334%0.33933%0.325SS..SBendtrans-138.2163.4178.273.2179.5-169.482.40111.6W94 R95 F98 D103 E119W94-K100 CarbonylContact C-O 3.12Å; W94-K100 WeakPolarHBondContact CB-O 3.34Å; R95-K100 WeakPolarHBondContact CA-O 3.44Å; R95-K100 PolarHBondContact N-O 3.22Å; F98-K100 HydrophobicContact CB-CG 4.36Å; F98-K100 PolarHBondContact O-N 3.39Å; F98-K100 VanDerWaalsContact O-N 3.15Å; K100-D103 IonicContact NZ-OD1 3.98Å; K100-D103 PolarHBondContact NZ-OD1 3.46Å; K100-E119 IonicContact NZ-OE1 2.67Å; K100-E119 PolarHBondContact NZ-OE1 2.91Å; K100-E119 IonicContact NZ-OE2 2.99Å; K100-E119 PolarHBondContact NZ-OE2 3.22Å
101E95Very high93.8Very high82 Ų8261.2 Ų61.238%0.38333%0.326SS..  trans-78.1156.5170.5-61.1-172.6-175.900111.1V91 R95V91-E101 HydrophobicContact CG1-CG 4.24Å; V91-E101 WeakPolarHBondContact CG1-OE1 3.42Å; V91-E101 HydrophobicContact CG2-CG 4.44Å; R95-E101 IonicContact CZ-OE1 3.89Å; R95-E101 IonicContact NH2-OE1 3.6Å; R95-E101 PolarHBondContact NH2-OE1 3.38Å
102A94Very high93.8Very high3 Ų362.4 Ų62.43%0.02533%0.331CS..  trans-65.3145.1175.200000110.9K90 W94 K104 I117 E119K90-A102 HydrophobicContact CB-CB 4.49Å; K90-A102 HydrophobicContact CG-CB 4.05Å; K90-A102 PolarHBondContact NZ-O 3.23Å; K90-A102 PolarHBondContact O-N 3.49Å; W94-A102 VanDerWaalsContact CD1-N 3.3Å; W94-A102 HydrophobicContact CD2-CB 3.8Å; W94-A102 HydrophobicContact CG-CB 3.76Å; W94-A102 HydrophobicContact CZ2-CB 4.14Å; A102-K104 PolarHBondContact O-N 3.48Å; A102-I117 HydrophobicContact CB-CG2 3.49Å; A102-I117 VanDerWaalsContact CB-CG2 3.49Å; A102-E119 WeakPolarHBondContact CA-OE1 3.43Å
103D94.5Very high93.8Very high74 Ų7464.6 Ų64.640%0.39634%0.34SS..SBendtrans-65-47.1-174.9-59.7-22.9000111.4K90 K100 I118 E119 K120K90-D103 PolarHBondContact NZ-O 3.36Å; K100-D103 IonicContact NZ-OD1 3.98Å; K100-D103 PolarHBondContact NZ-OD1 3.46Å; D103-I118 WeakPolarHBondContact CB-O 3.34Å; D103-I118 PolarHBondContact N-O 3.4Å; D103-E119 PolarHBondContact N-OE1 3.07Å; D103-K120 WeakPolarHBondContact OD2-CB 3.34Å; D103-K120 PolarHBondContact OD2-N 3.03Å
104K96.6Very high93.9Very high104 Ų10464.8 Ų64.845%0.45234%0.342SS..EExtended strand (participates in β ladder)trans-138.2152.9179.8-53.3-176175.7-174.80113.6A102 E106 I117 I118A102-K104 PolarHBondContact O-N 3.48Å; K104-E106 HydrophobicContact CB-CG 4.5Å; K104-E106 WeakPolarHBondContact CD-OE1 3.43Å; K104-E106 IonicContact NZ-OE1 2.78Å; K104-I117 WeakPolarHBondContact O-CA 3.26Å; K104-I118 HydrophobicContact CB-CB 4.14Å; K104-I118 PolarHBondContact N-O 3.3Å; K104-I118 VanDerWaalsContact N-O 3.12Å; K104-I118 PolarHBondContact O-N 2.86Å
105L97.8Very high94.1Very high48 Ų4866.2 Ų66.225%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-128.5115.6166.6175.868.9000106.7L86 L87 K90 Y116 I117L86-L105 HydrophobicContact CB-CD1 4.19Å; L86-L105 HydrophobicContact CB-CD2 3.9Å; L86-L105 HydrophobicContact CD2-CD1 4.46Å; L87-L105 HydrophobicContact CD2-CD2 4.22Å; K90-L105 HydrophobicContact CD-CB 3.94Å; L105-Y116 CarbonylContact C-O 3.31Å; L105-Y116 VanDerWaalsContact CA-O 3.31Å; L105-Y116 WeakPolarHBondContact CA-O 3.46Å; L105-I117 HydrophobicContact CD1-CG1 3.88Å
106E96.8Very high94.4Very high59 Ų5963.8 Ų63.828%0.27634%0.338SS..EExtended strand (participates in β ladder)trans-122149.5-178.3-64.2-179.6-175.400109.1K104 Y115 Y116 I118 K166K104-E106 HydrophobicContact CB-CG 4.5Å; K104-E106 WeakPolarHBondContact CD-OE1 3.43Å; K104-E106 IonicContact NZ-OE1 2.78Å; E106-Y115 CarbonylContact O-C 3.52Å; E106-Y115 WeakPolarHBondContact O-CA 3.42Å; E106-Y116 HydrophobicContact CB-CD2 4.49Å; E106-Y116 PolarHBondContact N-O 3.04Å; E106-Y116 PolarHBondContact O-N 2.96Å; E106-I118 HydrophobicContact CG-CD1 4.16Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.34Å; E106-K166 IonicContact OE1-NZ 2.95Å; E106-K166 IonicContact OE2-NZ 2.94Å; E106-K166 PolarHBondContact OE2-NZ 2.95Å
107Q96.9Very high94.7Very high95 Ų9561.4 Ų61.444%0.44432%0.319SS..EExtended strand (participates in β ladder)trans-98.2147.5166.9-171177.121.900108.4D112 Y115Q107-D112 PolarHBondContact NE2-O 3.13Å; Q107-Y115 HydrophobicContact CB-CD1 3.87Å; Q107-Y115 HydrophobicContact CB-CE1 3.87Å; Q107-Y115 HydrophobicContact CG-CD1 3.87Å; Q107-Y115 HydrophobicContact CG-CE1 3.59Å; Q107-Y115 PolarHBondContact NE2-OH 3.36Å
108A95.8Very high94.9Very high15 Ų1559.2 Ų59.212%0.12431%0.307CS..  trans-65.8139170.800000110.4D110 D111 T114 Y116A108-D110 VanDerWaalsContact C-N 3.31Å; A108-D110 PolarHBondContact O-N 3.26Å; A108-D111 HydrophobicContact CB-CB 4.3Å; A108-T114 HydrophobicContact CB-CG2 3.97Å; A108-T114 WeakPolarHBondContact CB-O 3.43Å; A108-T114 PolarHBondContact N-O 3.05Å; A108-Y116 HydrophobicContact CB-CE2 3.71Å
109N93.2Very high95Very high159 Ų15957.4 Ų57.485%0.8530%0.3SS*.SBendtrans-66.5-35.4-177.7-65.1-30.6000112.5
110D94Very high94.8Very high168 Ų16862 Ų6290%0.89830%0.301SS*.SBendtrans-109.31.8-170.2-51-48.8000113.3A108A108-D110 VanDerWaalsContact C-N 3.31Å; A108-D110 PolarHBondContact O-N 3.26Å
111D94.7Very high94.1Very high35 Ų3564.7 Ų64.719%0.18732%0.315CS..  trans-144.8107-179-175.116.9000111A108 K113 T114 K173A108-D111 HydrophobicContact CB-CB 4.3Å; D111-K113 PolarHBondContact O-N 3.2Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 WeakPolarHBondContact OD1-CE 3.29Å; D111-K113 PolarHBondContact OD1-N 2.95Å; D111-T114 PolarHBondContact O-N 3.19Å; D111-T114 VanDerWaalsContact O-N 3.11Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3.31Å; D111-K173 IonicContact OD2-NZ 3.81Å
112D94.7Very high92.7Very high61 Ų6162.3 Ų62.333%0.32631%0.306SS..THydrogen-bonded Turntrans-68-14.8-17964.7-9.9000113.7Q107 Y115 K183Q107-D112 PolarHBondContact NE2-O 3.13Å; D112-Y115 WeakPolarHBondContact O-CE2 3.25Å; D112-Y115 PolarHBondContact O-OH 2.78Å; D112-K183 WeakPolarHBondContact OD2-CE 3.36Å; D112-K183 IonicContact OD2-NZ 2.63Å; D112-K183 PolarHBondContact OD2-NZ 3.28Å
113K96.9Very high91.3Very high52 Ų5262.6 Ų62.623%0.22631%0.307CS..THydrogen-bonded Turntrans-83.1-14.1174.8-66.2165.7-70-165.20113.5D111 K173 F174 E176 I179D111-K113 PolarHBondContact O-N 3.2Å; D111-K113 WeakPolarHBondContact OD1-CB 3.47Å; D111-K113 WeakPolarHBondContact OD1-CE 3.29Å; D111-K113 PolarHBondContact OD1-N 2.95Å; K113-K173 WeakPolarHBondContact O-CA 3.45Å; K113-F174 PolarHBondContact O-N 2.9Å; K113-E176 HydrophobicContact CD-CB 4.27Å; K113-I179 HydrophobicContact CB-CG1 4.17Å; K113-I179 HydrophobicContact CG-CB 4.28Å; K113-I179 HydrophobicContact CG-CG1 3.54Å
114T98.1Very high89.8Confident5 Ų559.7 Ų59.73%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-109.7127.8-170.5-64.30000111.8A108 D111 Y116 M171 I172A108-T114 HydrophobicContact CB-CG2 3.97Å; A108-T114 WeakPolarHBondContact CB-O 3.43Å; A108-T114 PolarHBondContact N-O 3.05Å; D111-T114 PolarHBondContact O-N 3.19Å; D111-T114 VanDerWaalsContact O-N 3.11Å; D111-T114 WeakPolarHBondContact OD2-CB 3.42Å; D111-T114 PolarHBondContact OD2-OG1 3.31Å; T114-Y116 HydrophobicContact CG2-CE1 3.93Å; T114-Y116 HydrophobicContact CG2-CE2 4.28Å; T114-M171 HydrophobicContact CG2-CG 3.75Å; T114-M171 HydrophobicContact CG2-SD 4.02Å; T114-I172 WeakPolarHBondContact CA-O 3.49Å
115Y98.5Very high87.9Confident30 Ų3059 Ų5912%0.11829%0.293CS..EExtended strand (participates in β ladder)trans-129.1156178-62.4-95.4000110.3V82 L86 E106 Q107 D112 I172 F174 I179V82-Y115 HydrophobicContact CG1-CE2 3.94Å; L86-Y115 HydrophobicContact CD1-CD1 3.42Å; L86-Y115 VanDerWaalsContact CD1-CD1 3.42Å; L86-Y115 HydrophobicContact CD1-CD2 3.98Å; L86-Y115 HydrophobicContact CD1-CE1 3.7Å; L86-Y115 HydrophobicContact CD1-CE2 4.23Å; L86-Y115 HydrophobicContact CD1-CG 3.56Å; E106-Y115 CarbonylContact O-C 3.52Å; E106-Y115 WeakPolarHBondContact O-CA 3.42Å; Q107-Y115 HydrophobicContact CB-CD1 3.87Å; Q107-Y115 HydrophobicContact CB-CE1 3.87Å; Q107-Y115 HydrophobicContact CG-CD1 3.87Å; Q107-Y115 HydrophobicContact CG-CE1 3.59Å; Q107-Y115 PolarHBondContact NE2-OH 3.36Å; D112-Y115 WeakPolarHBondContact O-CE2 3.25Å; D112-Y115 PolarHBondContact O-OH 2.78Å; Y115-I172 PolarHBondContact N-O 2.97Å; Y115-I172 PolarHBondContact O-N 2.81Å; Y115-F174 AromaticContact CD2-CD2 3.65Å; Y115-F174 HydrophobicContact CD2-CD2 3.65Å; Y115-F174 AromaticContact CD2-CE2 3.53Å; Y115-F174 HydrophobicContact CD2-CE2 3.53Å; Y115-F174 AromaticContact CE2-CD2 3.72Å; Y115-F174 HydrophobicContact CE2-CD2 3.72Å; Y115-F174 AromaticContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CG-CE2 4.43Å; Y115-I179 HydrophobicContact CE2-CD1 4.41Å
116Y97.6Very high85.8Confident67 Ų6760.1 Ų60.126%0.26331%0.309SS..EExtended strand (participates in β ladder)trans-127.5128.2-177.6-56.7-68.4000110.5L105 E106 A108 T114 T169 L170 M171L105-Y116 CarbonylContact C-O 3.31Å; L105-Y116 VanDerWaalsContact CA-O 3.31Å; L105-Y116 WeakPolarHBondContact CA-O 3.46Å; E106-Y116 HydrophobicContact CB-CD2 4.49Å; E106-Y116 PolarHBondContact N-O 3.04Å; E106-Y116 PolarHBondContact O-N 2.96Å; A108-Y116 HydrophobicContact CB-CE2 3.71Å; T114-Y116 HydrophobicContact CG2-CE1 3.93Å; T114-Y116 HydrophobicContact CG2-CE2 4.28Å; Y116-T169 HydrophobicContact CD1-CG2 3.76Å; Y116-T169 HydrophobicContact CG-CG2 4.27Å; Y116-L170 WeakPolarHBondContact CA-O 3.39Å; Y116-M171 HydrophobicContact CD1-CB 3.94Å; Y116-M171 HydrophobicContact CD1-CG 4.02Å; Y116-M171 HydrophobicContact CE1-CB 3.85Å; Y116-M171 HydrophobicContact CE1-CG 3.55Å; Y116-M171 HydrophobicContact CE1-SD 3.93Å
117I96.5Very high84Confident0 Ų059.2 Ų59.20%030%0.304CS..EExtended strand (participates in β ladder)trans-102.1121.4161.7-59.2179.4000107.6I89 W94 A102 K104 L105 T169 L170 I172I89-I117 HydrophobicContact CB-CD1 4.19Å; I89-I117 HydrophobicContact CG2-CD1 3.4Å; I89-I117 VanDerWaalsContact CG2-CD1 3.4Å; W94-I117 HydrophobicContact CH2-CB 4.05Å; W94-I117 HydrophobicContact CH2-CD1 4.07Å; W94-I117 HydrophobicContact CH2-CG2 3.38Å; W94-I117 HydrophobicContact CZ2-CG2 3.46Å; W94-I117 VanDerWaalsContact CZ2-CG2 3.46Å; W94-I117 HydrophobicContact CZ3-CD1 3.87Å; W94-I117 HydrophobicContact CZ3-CG2 4.06Å; A102-I117 HydrophobicContact CB-CG2 3.49Å; A102-I117 VanDerWaalsContact CB-CG2 3.49Å; K104-I117 WeakPolarHBondContact O-CA 3.26Å; L105-I117 HydrophobicContact CD1-CG1 3.88Å; I117-T169 WeakPolarHBondContact O-CA 3.44Å; I117-L170 HydrophobicContact CB-CB 4.28Å; I117-L170 PolarHBondContact N-O 3.01Å; I117-L170 PolarHBondContact O-N 3.25Å; I117-I172 HydrophobicContact CD1-CD1 3.84Å; I117-I172 HydrophobicContact CG1-CD1 4.04Å
118I93.8Very high82.3Confident5 Ų555.7 Ų55.73%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-116.6133.1-172.1-47.8176.5000109.2D103 K104 E106 K166 T169D103-I118 WeakPolarHBondContact CB-O 3.34Å; D103-I118 PolarHBondContact N-O 3.4Å; K104-I118 HydrophobicContact CB-CB 4.14Å; K104-I118 PolarHBondContact N-O 3.3Å; K104-I118 VanDerWaalsContact N-O 3.12Å; K104-I118 PolarHBondContact O-N 2.86Å; E106-I118 HydrophobicContact CG-CD1 4.16Å; E106-I118 WeakPolarHBondContact OE2-CD1 3.34Å; I118-K166 HydrophobicContact CD1-CD 4.06Å; I118-K166 HydrophobicContact CG2-CB 3.89Å; I118-T169 HydrophobicContact CG1-CG2 4.28Å
119E89.6Confident80.3Confident1 Ų160.9 Ų60.91%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-124.5116.1178.5-85.7-71.6162.300109.5W94 K100 A102 D103 L123 G167 T168W94-E119 HydrophobicContact CZ2-CG 3.99Å; W94-E119 PolarHBondContact NE1-OE1 3.05Å; K100-E119 IonicContact NZ-OE1 2.67Å; K100-E119 PolarHBondContact NZ-OE1 2.91Å; K100-E119 IonicContact NZ-OE2 2.99Å; K100-E119 PolarHBondContact NZ-OE2 3.22Å; A102-E119 WeakPolarHBondContact CA-OE1 3.43Å; D103-E119 PolarHBondContact N-OE1 3.07Å; E119-L123 HydrophobicContact CB-CD2 4.24Å; E119-L123 HydrophobicContact CB-CG 4.18Å; E119-L123 HydrophobicContact CG-CD1 4.23Å; E119-L123 HydrophobicContact CG-CD2 3.51Å; E119-L123 HydrophobicContact CG-CG 3.86Å; E119-G167 CarbonylContact O-C 3.56Å; E119-G167 WeakPolarHBondContact O-CA 3.24Å; E119-T168 PolarHBondContact N-O 3.46Å; E119-T168 PolarHBondContact O-N 3.45Å
120K84.5Confident78.4Confident160 Ų16055.4 Ų55.470%0.69630%0.296SS*.SBendtrans-67.7-42.4-179.4-173.7-176.2175.6-170.50110.5D103D103-K120 WeakPolarHBondContact OD2-CB 3.34Å; D103-K120 PolarHBondContact OD2-N 3.03Å
121E76.4Confident76.5Confident136 Ų13651.2 Ų51.264%0.63628%0.278SS*.SBendtrans-95126.7177.4-68.6-83.5149.500109.2L123E121-L123 PolarHBondContact O-N 3.12Å; E121-L123 VanDerWaalsContact O-N 3.17Å
122P65.8Low74.5Confident31 Ų3159.2 Ų59.220%0.20131%0.311CS..  trans-56.9121.218012.6-24.3000112.8I124 N125 W164P122-I124 PolarHBondContact O-N 3.07Å; P122-I124 VanDerWaalsContact O-N 3.08Å; P122-N125 HydrophobicContact CB-CB 3.98Å; P122-N125 HydrophobicContact CG-CB 3.69Å; P122-N125 WeakPolarHBondContact CG-ND2 3.44Å; P122-N125 WeakPolarHBondContact O-CB 3.33Å; P122-N125 PolarHBondContact O-N 3.07Å; P122-W164 HydrophobicContact CB-CH2 4.43Å
123L65.6Low72.6Confident9 Ų965.1 Ų65.15%0.04734%0.337CS..THydrogen-bonded Turntrans-51.6-35.1-174.2-70.1174.5000114.5W94 F98 E119 E121 F127 T143 L170W94-L123 HydrophobicContact CZ2-CD1 3.8Å; W94-L123 HydrophobicContact CZ2-CD2 4.37Å; F98-L123 HydrophobicContact CD1-CB 4.46Å; F98-L123 HydrophobicContact CD1-CD2 4.16Å; F98-L123 HydrophobicContact CD2-CD2 3.63Å; F98-L123 HydrophobicContact CE1-CB 3.85Å; F98-L123 HydrophobicContact CE1-CD2 4.1Å; F98-L123 HydrophobicContact CE1-CG 4.43Å; F98-L123 HydrophobicContact CE2-CB 4.46Å; F98-L123 HydrophobicContact CE2-CD1 3.9Å; F98-L123 HydrophobicContact CE2-CD2 3.55Å; F98-L123 HydrophobicContact CE2-CG 4.18Å; F98-L123 HydrophobicContact CG-CD2 3.94Å; F98-L123 HydrophobicContact CZ-CB 3.86Å; F98-L123 HydrophobicContact CZ-CD1 3.83Å; F98-L123 HydrophobicContact CZ-CD2 3.82Å; F98-L123 HydrophobicContact CZ-CG 4.06Å; E119-L123 HydrophobicContact CB-CD2 4.24Å; E119-L123 HydrophobicContact CB-CG 4.18Å; E119-L123 HydrophobicContact CG-CD1 4.23Å; E119-L123 HydrophobicContact CG-CD2 3.51Å; E119-L123 HydrophobicContact CG-CG 3.86Å; E121-L123 PolarHBondContact O-N 3.12Å; E121-L123 VanDerWaalsContact O-N 3.17Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å; L123-F127 VanDerWaalsContact O-CE2 3.31Å; L123-F127 WeakPolarHBondContact O-CE2 3.44Å; L123-T143 HydrophobicContact CD1-CG2 4.08Å; L123-L170 HydrophobicContact CD1-CD1 4.4Å
124I63.1Low70.6Confident13 Ų1365.4 Ų65.47%0.06734%0.34CS..THydrogen-bonded Turntrans-91.9-16.9-179.8-145.481.8000113.3F29 F33 P122 A126 F127 I128 C139F29-I124 HydrophobicContact CE1-CD1 4.09Å; F29-I124 HydrophobicContact CZ-CD1 4.46Å; F33-I124 HydrophobicContact CD1-CD1 3.57Å; F33-I124 HydrophobicContact CD1-CG1 3.7Å; F33-I124 HydrophobicContact CE1-CD1 3.4Å; F33-I124 VanDerWaalsContact CE1-CD1 3.4Å; F33-I124 HydrophobicContact CE1-CG1 3.53Å; F33-I124 HydrophobicContact CE2-CD1 4.45Å; F33-I124 HydrophobicContact CG-CD1 4.17Å; F33-I124 HydrophobicContact CZ-CD1 3.88Å; F33-I124 HydrophobicContact CZ-CG1 4.41Å; P122-I124 PolarHBondContact O-N 3.07Å; P122-I124 VanDerWaalsContact O-N 3.08Å; I124-A126 PolarHBondContact O-N 3.47Å; I124-F127 HydrophobicContact CD1-CD2 4.31Å; I124-F127 CarbonylContact O-C 3.52Å; I124-F127 WeakPolarHBondContact O-CA 3.32Å; I124-F127 PolarHBondContact O-N 3.43Å; I124-I128 HydrophobicContact CB-CG1 4.37Å; I124-I128 HydrophobicContact CG1-CD1 3.99Å; I124-I128 HydrophobicContact CG1-CG1 3.88Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 3.77Å; I124-I128 PolarHBondContact O-N 2.98Å; I124-C139 HydrophobicContact CB-CB 3.94Å; I124-C139 HydrophobicContact CG1-CB 4.14Å; I124-C139 HydrophobicContact CG2-CB 3.52Å
125N55.4Low68.5Low90 Ų9069.2 Ų69.248%0.48137%0.367SS..THydrogen-bonded Turntrans-71.3-12.7179.2-73.215000111.7P122 F127P122-N125 HydrophobicContact CB-CB 3.98Å; P122-N125 HydrophobicContact CG-CB 3.69Å; P122-N125 WeakPolarHBondContact CG-ND2 3.44Å; P122-N125 WeakPolarHBondContact O-CB 3.33Å; P122-N125 PolarHBondContact O-N 3.07Å; N125-F127 PolarHBondContact O-N 3.17Å
126A54.3Low66.5Low71 Ų7172.1 Ų72.159%0.58739%0.388SS*.THydrogen-bonded Turntrans-62.9-22.1162.400000112.6I124I124-A126 PolarHBondContact O-N 3.47Å
127F59.7Low64.8Low41 Ų4169.8 Ų69.818%0.1838%0.38CS..THydrogen-bonded Turntrans-120.1-35.9-170.8-49.4-72.7000113.1V26 F29 A30 F98 L123 I124 N125V26-F127 HydrophobicContact CG1-CD1 3.43Å; V26-F127 VanDerWaalsContact CG1-CD1 3.43Å; V26-F127 HydrophobicContact CG1-CE1 3.68Å; F29-F127 HydrophobicContact CD1-CB 4.11Å; F29-F127 AromaticContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD1 3.89Å; F29-F127 HydrophobicContact CD1-CD2 4.18Å; F29-F127 HydrophobicContact CD1-CE1 4.41Å; F29-F127 AromaticContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CD1-CG 3.78Å; F29-F127 HydrophobicContact CE1-CB 4.37Å; F29-F127 HydrophobicContact CE1-CD1 4.49Å; F29-F127 AromaticContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CD2 3.97Å; F29-F127 HydrophobicContact CE1-CE2 4.44Å; F29-F127 HydrophobicContact CE1-CG 4.02Å; A30-F127 HydrophobicContact CB-CB 4.03Å; A30-F127 WeakPolarHBondContact CB-O 3.36Å; F98-F127 AromaticContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CE2 3.92Å; F98-F127 HydrophobicContact CD1-CZ 4.37Å; F98-F127 HydrophobicContact CE1-CE2 4.26Å; L123-F127 WeakPolarHBondContact O-CD2 3.43Å; L123-F127 VanDerWaalsContact O-CE2 3.31Å; L123-F127 WeakPolarHBondContact O-CE2 3.44Å; I124-F127 HydrophobicContact CD1-CD2 4.31Å; I124-F127 CarbonylContact O-C 3.52Å; I124-F127 WeakPolarHBondContact O-CA 3.32Å; I124-F127 PolarHBondContact O-N 3.43Å; N125-F127 PolarHBondContact O-N 3.17Å
128I60.5Low63.6Low21 Ų2170 Ų7011%0.10838%0.381CS..  trans-130.8146.2-175.364.5170.4000113.3A30 F33 I124 V130A30-I128 HydrophobicContact CB-CG2 4.28Å; A30-I128 WeakPolarHBondContact O-CG2 3.34Å; F33-I128 HydrophobicContact CD1-CD1 4.19Å; F33-I128 HydrophobicContact CE1-CD1 4.32Å; I124-I128 HydrophobicContact CB-CG1 4.37Å; I124-I128 HydrophobicContact CG1-CD1 3.99Å; I124-I128 HydrophobicContact CG1-CG1 3.88Å; I124-I128 HydrophobicContact CG2-CD1 3.92Å; I124-I128 HydrophobicContact CG2-CG1 3.77Å; I124-I128 PolarHBondContact O-N 2.98Å; I128-V130 HydrophobicContact CD1-CG2 3.78Å; I128-V130 HydrophobicContact CG1-CG2 4Å; I128-V130 PolarHBondContact O-N 3.5Å
129S54.3Low62.5Low124 Ų12469.9 Ų69.987%0.86738%0.381SS*.  trans-86.499.8166.9-620000108.9P131S129-P131 WeakPolarHBondContact O-CD 3.38Å
130V53.5Low62.4Low43 Ų4370 Ų7026%0.26138%0.383SS..  trans-78.2122.6170.5-174.90000108.2I128 K132 N134I128-V130 HydrophobicContact CD1-CG2 3.78Å; I128-V130 HydrophobicContact CG1-CG2 4Å; I128-V130 PolarHBondContact O-N 3.5Å; V130-K132 PolarHBondContact O-N 3.21Å; V130-N134 HydrophobicContact CG1-CB 3.85Å
131P52.7Low62.7Low80 Ų8062.7 Ų62.752%0.51935%0.352SS..  trans-54.8138.8174.3-24.834.2000110.5S129 E133 N134S129-P131 WeakPolarHBondContact O-CD 3.38Å; P131-E133 PolarHBondContact O-N 2.97Å; P131-N134 PolarHBondContact O-N 2.71Å
132K53.2Low63.5Low204 Ų20457.1 Ų57.189%0.88733%0.326SS*.G310 helixtrans-54.8-26.7-175-69.2-178.9178.5178.10113.6V130 N134 S135V130-K132 PolarHBondContact O-N 3.21Å; K132-N134 PolarHBondContact O-N 2.77Å; K132-S135 WeakPolarHBondContact O-CB 3.34Å; K132-S135 PolarHBondContact O-N 3Å
133E53.9Low64.9Low185 Ų18555.9 Ų55.986%0.86432%0.317SS*.G310 helixtrans-67.1-22.6177.5-58.6178.9-158.900113P131P131-E133 PolarHBondContact O-N 2.97Å
134N55.8Low66.3Low57 Ų5755.6 Ų55.631%0.30532%0.316SS..G310 helixtrans-103.425.7179.2-67.4-34.1000112.8V130 P131 K132 T136 L137V130-N134 HydrophobicContact CG1-CB 3.85Å; P131-N134 PolarHBondContact O-N 2.71Å; K132-N134 PolarHBondContact O-N 2.77Å; N134-T136 PolarHBondContact O-N 3.39Å; N134-L137 HydrophobicContact CB-CB 4.41Å; N134-L137 WeakPolarHBondContact O-CB 3Å; N134-L137 PolarHBondContact O-N 2.92Å
135S54.7Low67.9Low86 Ų8655 Ų5560%0.60131%0.314SS*.THydrogen-bonded Turntrans-55.8-17.4179.9170.80000114.8K132 L137K132-S135 WeakPolarHBondContact O-CB 3.34Å; K132-S135 PolarHBondContact O-N 3Å; S135-L137 VanDerWaalsContact C-N 3.33Å
136T56.1Low69.9Low91 Ų9150.7 Ų50.756%0.55829%0.291SS*.THydrogen-bonded Turntrans-80.6-15.5176.156.40000113N134 N138N134-T136 PolarHBondContact O-N 3.39Å; T136-N138 PolarHBondContact O-N 2.94Å; T136-N138 VanDerWaalsContact O-N 3.07Å
137L62Low72Confident17 Ų1747.3 Ų47.39%0.08926%0.263CS..  trans-76.797.4-176.3-162154.1000109.6V37 L50 N134 S135 C139V37-L137 HydrophobicContact CG1-CD1 4.2Å; V37-L137 HydrophobicContact CG1-CD2 4.11Å; L50-L137 HydrophobicContact CD2-CD1 3.54Å; L50-L137 HydrophobicContact CD2-CG 3.88Å; N134-L137 HydrophobicContact CB-CB 4.41Å; N134-L137 WeakPolarHBondContact O-CB 3Å; N134-L137 PolarHBondContact O-N 2.92Å; S135-L137 VanDerWaalsContact C-N 3.33Å; L137-C139 HydrophobicContact CD2-CB 4.46Å; L137-C139 WeakPolarHBondContact CD2-SG 3.35Å; L137-C139 PolarHBondContact O-N 2.82Å
138N70.4Confident73.9Confident5 Ų546.4 Ų46.43%0.02726%0.259CS..  trans-86.687.9176.6-160.9-19000110.7Q51 T136 A140 A141 V162 W164Q51-N138 VanDerWaalsContact NE2-CB 3.31Å; T136-N138 PolarHBondContact O-N 2.94Å; T136-N138 VanDerWaalsContact O-N 3.07Å; N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 VanDerWaalsContact O-N 3.12Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.67Å; N138-A141 WeakPolarHBondContact O-CB 3.34Å; N138-A141 PolarHBondContact O-N 2.76Å; N138-V162 HydrophobicContact CB-CG2 3.99Å; N138-V162 WeakPolarHBondContact ND2-CB 3.48Å; N138-W164 HydrophobicContact CB-CZ2 4.41Å
139C72.1Confident75.7Confident3 Ų345.6 Ų45.62%0.0226%0.255CS..THydrogen-bonded Turntrans-60.3-15173.1-75.20000113.6F33 I124 L137 A141 F142F33-C139 HydrophobicContact CE1-CB 3.82Å; F33-C139 HydrophobicContact CZ-CB 4.13Å; I124-C139 HydrophobicContact CB-CB 3.94Å; I124-C139 HydrophobicContact CG1-CB 4.14Å; I124-C139 HydrophobicContact CG2-CB 3.52Å; L137-C139 HydrophobicContact CD2-CB 4.46Å; L137-C139 WeakPolarHBondContact CD2-SG 3.35Å; L137-C139 PolarHBondContact O-N 2.82Å; C139-A141 PolarHBondContact O-N 2.99Å; C139-A141 VanDerWaalsContact O-N 3.07Å; C139-F142 PolarHBondContact O-N 3.07Å; C139-F142 VanDerWaalsContact O-N 3.13Å
140A86.8Confident77.8Confident4 Ų439.7 Ų39.73%0.03321%0.214CC..Hα-helixtrans-62.8-11.6171.600000112.1N138 F142 T143 G144 V162 T168N138-A140 PolarHBondContact O-N 2.78Å; N138-A140 VanDerWaalsContact O-N 3.12Å; N138-A140 WeakPolarHBondContact OD1-CB 3.35Å; N138-A140 PolarHBondContact OD1-N 2.67Å; A140-F142 PolarHBondContact O-N 3.07Å; A140-T143 CarbonylContact O-C 3.52Å; A140-T143 WeakPolarHBondContact O-CA 3.21Å; A140-T143 WeakPolarHBondContact O-CB 3.13Å; A140-T143 PolarHBondContact O-N 2.79Å; A140-G144 PolarHBondContact O-N 3.35Å; A140-V162 HydrophobicContact CB-CG1 4.13Å; A140-T168 HydrophobicContact CB-CG2 3.44Å; A140-T168 VanDerWaalsContact CB-CG2 3.44Å
141A91.6Very high79.9Confident6 Ų637.6 Ų37.65%0.0520%0.201CC..Hα-helixtrans-54.7-37.4170.200000112.3Q51 L54 A55 N138 C139 G144 G145 V162Q51-A141 HydrophobicContact CB-CB 3.72Å; Q51-A141 HydrophobicContact CG-CB 3.93Å; Q51-A141 WeakPolarHBondContact O-CB 3.39Å; L54-A141 HydrophobicContact CB-CB 4.34Å; A55-A141 WeakPolarHBondContact CA-O 3.16Å; A55-A141 WeakPolarHBondContact CB-O 3.5Å; N138-A141 WeakPolarHBondContact O-CB 3.34Å; N138-A141 PolarHBondContact O-N 2.76Å; C139-A141 PolarHBondContact O-N 2.99Å; C139-A141 VanDerWaalsContact O-N 3.07Å; A141-G144 PolarHBondContact O-N 2.7Å; A141-G145 PolarHBondContact O-N 2.85Å; A141-V162 HydrophobicContact CB-CG2 3.98Å
142F93.3Very high82.1Confident19 Ų1936.9 Ų36.98%0.08320%0.195CC..Hα-helixtrans-59.5-49.5171.9176.1-95.6000111.4F33 L54 L57 G58 V61 C139 A140 G144 G145 V146F33-F142 HydrophobicContact CE2-CB 3.79Å; F33-F142 AromaticContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD1 4Å; F33-F142 HydrophobicContact CE2-CD2 4.01Å; F33-F142 AromaticContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CE2-CG 3.66Å; F33-F142 HydrophobicContact CZ-CB 3.91Å; F33-F142 HydrophobicContact CZ-CG 4.28Å; L54-F142 HydrophobicContact CB-CB 4.33Å; L54-F142 WeakPolarHBondContact O-CA 3.44Å; L54-F142 WeakPolarHBondContact O-CD2 3.34Å; L57-F142 HydrophobicContact CB-CD2 4.24Å; L57-F142 HydrophobicContact CB-CE2 4.21Å; G58-F142 VanDerWaalsContact CA-CE2 3.5Å; G58-F142 WeakPolarHBondContact CA-O 3.39Å; V61-F142 HydrophobicContact CB-CZ 4.42Å; V61-F142 HydrophobicContact CG2-CE2 4.42Å; V61-F142 HydrophobicContact CG2-CZ 4.02Å; C139-F142 PolarHBondContact O-N 3.07Å; C139-F142 VanDerWaalsContact O-N 3.13Å; A140-F142 PolarHBondContact O-N 3.07Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.01Å; F142-G145 PolarHBondContact O-N 3.18Å; F142-G145 VanDerWaalsContact O-N 3.14Å; F142-V146 HydrophobicContact CD1-CG2 4.4Å; F142-V146 HydrophobicContact CE1-CG2 4.05Å; F142-V146 HydrophobicContact CZ-CG2 4.36Å; F142-V146 PolarHBondContact O-N 3.11Å
143T93.7Very high84.2Confident4 Ų432.9 Ų32.93%0.02518%0.18CC..Hα-helixtrans-59.8-38.4174.5-48.40000111.8W94 L97 F98 L123 A140 G145 V146 V147 L170W94-T143 HydrophobicContact CH2-CG2 4.41Å; L97-T143 HydrophobicContact CD1-CG2 4.18Å; F98-T143 HydrophobicContact CE2-CG2 4.01Å; F98-T143 HydrophobicContact CZ-CG2 3.83Å; L123-T143 HydrophobicContact CD1-CG2 4.08Å; A140-T143 CarbonylContact O-C 3.52Å; A140-T143 WeakPolarHBondContact O-CA 3.21Å; A140-T143 WeakPolarHBondContact O-CB 3.13Å; A140-T143 PolarHBondContact O-N 2.79Å; T143-G145 VanDerWaalsContact C-N 3.32Å; T143-G145 PolarHBondContact O-N 3.24Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.98Å; T143-V147 WeakPolarHBondContact O-CG2 3.23Å; T143-V147 PolarHBondContact O-N 2.78Å; T143-L170 HydrophobicContact CG2-CD1 4.09Å
144G95.4Very high86.2Confident3 Ų324.4 Ų24.43%0.03114%0.141CC..Hα-helixtrans-60-42.6175.100000112.3A140 A141 F142 V147 E148A140-G144 PolarHBondContact O-N 3.35Å; A141-G144 PolarHBondContact O-N 2.7Å; F142-G144 VanDerWaalsContact C-N 3.27Å; F142-G144 PolarHBondContact O-N 3.01Å; G144-V147 PolarHBondContact O-N 3.26Å; G144-E148 WeakPolarHBondContact O-CB 3.33Å; G144-E148 PolarHBondContact O-N 3.24Å
145G97.2Very high88.2Confident1 Ų122.7 Ų22.71%0.0114%0.136CC..Hα-helixtrans-60.6-44.1171.800000113.5A55 Q59 A141 F142 T143 V147 E148 A149A55-G145 VanDerWaalsContact O-CA 3.28Å; A55-G145 WeakPolarHBondContact O-CA 3.48Å; Q59-G145 WeakPolarHBondContact CA-O 3.13Å; Q59-G145 VanDerWaalsContact CG-O 3.28Å; Q59-G145 WeakPolarHBondContact CG-O 3.46Å; A141-G145 PolarHBondContact O-N 2.85Å; F142-G145 PolarHBondContact O-N 3.18Å; F142-G145 VanDerWaalsContact O-N 3.14Å; T143-G145 VanDerWaalsContact C-N 3.32Å; T143-G145 PolarHBondContact O-N 3.24Å; G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 2.99Å; G145-E148 PolarHBondContact O-N 3.46Å; G145-A149 PolarHBondContact O-N 3.44Å
146V97.6Very high90.3Very high0 Ų018.7 Ų18.70%011%0.108CC..Hα-helixtrans-57.4-47.5175174.70000110.7G58 V61 L65 L97 F142 T143 I150G58-V146 WeakPolarHBondContact O-CA 3.41Å; G58-V146 VanDerWaalsContact O-CG2 3.25Å; G58-V146 WeakPolarHBondContact O-CG2 3.32Å; G58-V146 PolarHBondContact O-N 3.06Å; V61-V146 HydrophobicContact CB-CG2 4.3Å; V61-V146 HydrophobicContact CG1-CG2 4.43Å; L65-V146 HydrophobicContact CD2-CG1 4.25Å; L97-V146 HydrophobicContact CD1-CG1 4.17Å; F142-V146 HydrophobicContact CD1-CG2 4.4Å; F142-V146 HydrophobicContact CE1-CG2 4.05Å; F142-V146 HydrophobicContact CZ-CG2 4.36Å; F142-V146 PolarHBondContact O-N 3.11Å; T143-V146 WeakPolarHBondContact O-CB 3.46Å; T143-V146 PolarHBondContact O-N 2.98Å; V146-I150 HydrophobicContact CG1-CD1 3.92Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 2.86Å
147V98Very high92.3Very high0 Ų016.5 Ų16.50%010%0.096CC..Hα-helixtrans-66.6-43.6179.8173.90000111.6I89 W94 T143 G144 G145 A149 I150 L151 V160 I172I89-V147 HydrophobicContact CD1-CG1 3.97Å; I89-V147 HydrophobicContact CG2-CG1 4.11Å; I89-V147 HydrophobicContact CG2-CG2 3.91Å; W94-V147 HydrophobicContact CZ3-CG2 3.94Å; T143-V147 WeakPolarHBondContact O-CG2 3.23Å; T143-V147 PolarHBondContact O-N 2.78Å; G144-V147 PolarHBondContact O-N 3.26Å; G145-V147 VanDerWaalsContact C-N 3.32Å; G145-V147 PolarHBondContact O-N 2.99Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 2.94Å; V147-I150 PolarHBondContact O-N 2.99Å; V147-L151 HydrophobicContact CG1-CD1 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.17Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 3.39Å; V147-V160 HydrophobicContact CG1-CG2 4.23Å; V147-I172 HydrophobicContact CG1-CD1 4.1Å; V147-I172 HydrophobicContact CG1-CG1 4.47Å
148E98.5Very high94Very high22 Ų2216.2 Ų16.210%0.10310%0.095CC..Hα-helixtrans-58.6-45.3178.1-171164.9121.500111.1G144 G145 T152 K159 V160G144-E148 WeakPolarHBondContact O-CB 3.33Å; G144-E148 PolarHBondContact O-N 3.24Å; G145-E148 PolarHBondContact O-N 3.46Å; E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.17Å; E148-T152 PolarHBondContact O-N 2.91Å; E148-T152 PolarHBondContact O-OG1 3.17Å; E148-K159 IonicContact OE1-NZ 2.88Å; E148-K159 PolarHBondContact OE1-NZ 3.43Å; E148-K159 IonicContact OE2-NZ 3Å; E148-K159 PolarHBondContact OE2-NZ 3.42Å; E148-V160 HydrophobicContact CB-CB 3.98Å; E148-V160 HydrophobicContact CB-CG2 3.67Å; E148-V160 HydrophobicContact CG-CG2 4.18Å; E148-V160 PolarHBondContact OE2-N 3.43Å
149A98.5Very high95.3Very high3 Ų321.5 Ų21.53%0.02512%0.118CC..Hα-helixtrans-64.6-46.317600000112.1Q59 G145 V147 L151 T152 H153Q59-A149 HydrophobicContact CB-CB 3.99Å; Q59-A149 HydrophobicContact CG-CB 4.17Å; Q59-A149 VanDerWaalsContact O-CB 3.23Å; Q59-A149 WeakPolarHBondContact O-CB 3.33Å; G145-A149 PolarHBondContact O-N 3.44Å; V147-A149 VanDerWaalsContact C-N 3.34Å; V147-A149 PolarHBondContact O-N 2.94Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.37Å; A149-T152 PolarHBondContact O-N 3.08Å; A149-H153 VanDerWaalsContact O-CB 3.3Å; A149-H153 WeakPolarHBondContact O-CB 3.49Å; A149-H153 PolarHBondContact O-CD2 3.11Å; A149-H153 PolarHBondContact O-N 3.15Å
150I98.4Very high96.5Very high0 Ų021.9 Ų21.90%012%0.121CC..Hα-helixtrans-58-45.8178.9-75.7171.9000111.2G62 L65 L66 F88 I89 V93 V146 V147 S154G62-I150 WeakPolarHBondContact O-CG1 3.37Å; L65-I150 HydrophobicContact CD2-CD1 4.4Å; L66-I150 HydrophobicContact CB-CG1 4.33Å; L66-I150 HydrophobicContact CD1-CG2 4.26Å; F88-I150 HydrophobicContact CD1-CG2 4.4Å; F88-I150 HydrophobicContact CE1-CG2 4.08Å; I89-I150 HydrophobicContact CG1-CG2 4.27Å; V93-I150 HydrophobicContact CB-CD1 4.38Å; V93-I150 HydrophobicContact CG1-CD1 3.68Å; V93-I150 HydrophobicContact CG2-CD1 3.72Å; V93-I150 HydrophobicContact CG2-CG2 4.48Å; V146-I150 HydrophobicContact CG1-CD1 3.92Å; V146-I150 VanDerWaalsContact O-CG1 3.31Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 2.86Å; V147-I150 PolarHBondContact O-N 2.99Å; I150-S154 WeakPolarHBondContact O-CB 3.15Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 3.22Å
151L98.4Very high96.9Very high0 Ų023.9 Ų23.90%013%0.132CC..Hα-helixtrans-62.4-51.4177.6-74174.2000111.5I85 I89 V147 A149 S154 G155 F156 A158 V160 I172 F174I85-L151 HydrophobicContact CG1-CD2 3.82Å; I85-L151 HydrophobicContact CG2-CD2 4.1Å; I89-L151 HydrophobicContact CD1-CD1 4.15Å; I89-L151 HydrophobicContact CD1-CD2 3.33Å; I89-L151 HydrophobicContact CD1-CG 3.62Å; V147-L151 HydrophobicContact CG1-CD1 3.95Å; V147-L151 HydrophobicContact CG1-CG 4.37Å; V147-L151 WeakPolarHBondContact O-CB 3.17Å; V147-L151 WeakPolarHBondContact O-CG 3.35Å; V147-L151 PolarHBondContact O-N 3.39Å; A149-L151 VanDerWaalsContact C-N 3.32Å; A149-L151 PolarHBondContact O-N 3.37Å; L151-S154 PolarHBondContact O-N 2.84Å; L151-G155 PolarHBondContact O-N 2.96Å; L151-F156 CarbonylContact C-O 3.36Å; L151-F156 VanDerWaalsContact C-O 3.31Å; L151-F156 WeakPolarHBondContact CB-O 3.05Å; L151-F156 HydrophobicContact CD2-CB 4.38Å; L151-F156 CarbonylContact O-C 3.58Å; L151-F156 WeakPolarHBondContact O-CA 3.46Å; L151-F156 PolarHBondContact O-N 2.67Å; L151-A158 HydrophobicContact CB-CB 4.48Å; L151-A158 HydrophobicContact CD1-CB 4.02Å; L151-V160 HydrophobicContact CD1-CG2 4.27Å; L151-I172 HydrophobicContact CD1-CD1 4.33Å; L151-I172 HydrophobicContact CD1-CG1 4.48Å; L151-I172 HydrophobicContact CD1-CG2 3.46Å; L151-I172 VanDerWaalsContact CD1-CG2 3.46Å; L151-F174 HydrophobicContact CD1-CE1 4.14Å; L151-F174 HydrophobicContact CD1-CZ 4.31Å; L151-F174 HydrophobicContact CD2-CE1 3.9Å; L151-F174 HydrophobicContact CD2-CZ 3.99Å; L151-F174 HydrophobicContact CG-CE1 4.48Å
152T97.9Very high96.9Very high64 Ų6424.6 Ų24.639%0.39314%0.136SC..Hα-helixtrans-62.3-48.7-177-57.10000111.5E148 A149 S154 G155E148-T152 VanDerWaalsContact O-CB 3.31Å; E148-T152 WeakPolarHBondContact O-CB 3.17Å; E148-T152 PolarHBondContact O-N 2.91Å; E148-T152 PolarHBondContact O-OG1 3.17Å; A149-T152 PolarHBondContact O-N 3.08Å; T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.44Å; T152-G155 PolarHBondContact O-N 3.4Å
153H97.7Very high96.7Very high121 Ų12127.7 Ų27.756%0.5615%0.151SC*.Hα-helixtrans-68-25178-75.9-103.6000113L66 A149 G155L66-H153 HydrophobicContact CD2-CB 3.64Å; A149-H153 VanDerWaalsContact O-CB 3.3Å; A149-H153 WeakPolarHBondContact O-CB 3.49Å; A149-H153 PolarHBondContact O-CD2 3.11Å; A149-H153 PolarHBondContact O-N 3.15Å; H153-G155 PolarHBondContact O-N 3.3Å
154S96.9Very high96.3Very high7 Ų733.8 Ų33.85%0.04917%0.173CC..THydrogen-bonded Turntrans-76.2-7.6171.9-62.20000113.1L66 R78 I150 L151 T152L66-S154 WeakPolarHBondContact CD1-OG 3.48Å; L66-S154 WeakPolarHBondContact CD2-OG 3.24Å; R78-S154 PolarHBondContact NE-O 3.32Å; R78-S154 PolarHBondContact NH2-O 2.95Å; I150-S154 WeakPolarHBondContact O-CB 3.15Å; I150-S154 PolarHBondContact O-N 3.23Å; I150-S154 PolarHBondContact O-OG 3.22Å; L151-S154 PolarHBondContact O-N 2.84Å; T152-S154 VanDerWaalsContact C-N 3.27Å; T152-S154 PolarHBondContact O-N 3.44Å
155G97.4Very high95.8Very high20 Ų2038.7 Ų38.721%0.20620%0.195CC..THydrogen-bonded Turntrans90.124.3-177.900000113.9L151 T152 H153 P157 R181L151-G155 PolarHBondContact O-N 2.96Å; T152-G155 PolarHBondContact O-N 3.4Å; H153-G155 PolarHBondContact O-N 3.3Å; G155-P157 VanDerWaalsContact C-CD 3.44Å; G155-P157 WeakPolarHBondContact O-CD 3.43Å; G155-R181 PolarHBondContact O-NH1 3.49Å; G155-R181 PolarHBondContact O-NH2 3.41Å
156F98.3Very high95.2Very high2 Ų244.2 Ų44.21%0.00922%0.219CC..  trans-120.869.2174.2-56.7-99.3000108.9E79 V82 I85 L151 A158 F174 V178E79-F156 WeakPolarHBondContact O-CE2 3.48Å; V82-F156 HydrophobicContact CG2-CD1 4.06Å; V82-F156 HydrophobicContact CG2-CE1 4.15Å; I85-F156 HydrophobicContact CB-CD2 4.19Å; I85-F156 HydrophobicContact CB-CE2 3.92Å; I85-F156 HydrophobicContact CB-CZ 4.1Å; I85-F156 HydrophobicContact CD1-CE2 4.46Å; I85-F156 HydrophobicContact CG1-CD2 4.01Å; I85-F156 HydrophobicContact CG1-CE2 4.07Å; I85-F156 HydrophobicContact CG2-CD1 3.81Å; I85-F156 HydrophobicContact CG2-CD2 3.95Å; I85-F156 HydrophobicContact CG2-CE1 3.81Å; I85-F156 HydrophobicContact CG2-CE2 3.96Å; I85-F156 HydrophobicContact CG2-CG 3.89Å; I85-F156 HydrophobicContact CG2-CZ 3.88Å; L151-F156 CarbonylContact C-O 3.36Å; L151-F156 VanDerWaalsContact C-O 3.31Å; L151-F156 WeakPolarHBondContact CB-O 3.05Å; L151-F156 HydrophobicContact CD2-CB 4.38Å; L151-F156 CarbonylContact O-C 3.58Å; L151-F156 WeakPolarHBondContact O-CA 3.46Å; L151-F156 PolarHBondContact O-N 2.67Å; F156-A158 PolarHBondContact O-N 3.1Å; F156-F174 HydrophobicContact CB-CD1 4.2Å; F156-F174 HydrophobicContact CB-CE1 3.75Å; F156-V178 HydrophobicContact CB-CG1 4.31Å; F156-V178 HydrophobicContact CD1-CG1 3.79Å
157P98.1Very high94.7Very high46 Ų4645.4 Ų45.430%0.29923%0.231SC..  trans-53.8130.4178.924.8-36.1000110.7G155 D175 V178G155-P157 VanDerWaalsContact C-CD 3.44Å; G155-P157 WeakPolarHBondContact O-CD 3.43Å; P157-D175 WeakPolarHBondContact CB-OD2 3.49Å; P157-D175 HydrophobicContact CG-CB 4.33Å; P157-D175 PolarHBondContact O-N 3.02Å; P157-D175 VanDerWaalsContact O-N 3.09Å; P157-V178 VanDerWaalsContact CD-CG2 3.48Å; P157-V178 HydrophobicContact CG-CG2 3.67Å
158A98.1Very high94.2Very high10 Ų1045.5 Ų45.58%0.08323%0.232CC..EExtended strand (participates in β ladder)trans-153.7156.6-173.500000110.3L151 F156 I172 K173 F174L151-A158 HydrophobicContact CB-CB 4.48Å; L151-A158 HydrophobicContact CD1-CB 4.02Å; F156-A158 PolarHBondContact O-N 3.1Å; A158-I172 HydrophobicContact CB-CG2 4.12Å; A158-K173 CarbonylContact C-O 3.45Å; A158-K173 VanDerWaalsContact CA-O 3.27Å; A158-K173 WeakPolarHBondContact CA-O 3.48Å; A158-F174 HydrophobicContact CB-CD1 3.63Å; A158-F174 HydrophobicContact CB-CE1 3.92Å; A158-F174 HydrophobicContact CB-CG 4.35Å
159K98.2Very high93.9Very high117 Ų11744.6 Ų44.651%0.50923%0.228SC..EExtended strand (participates in β ladder)trans-103.2127.8165.8-168.871.1-158.4145.10110.3E148 T161 K173E148-K159 IonicContact OE1-NZ 2.88Å; E148-K159 PolarHBondContact OE1-NZ 3.43Å; E148-K159 IonicContact OE2-NZ 3Å; E148-K159 PolarHBondContact OE2-NZ 3.42Å; K159-T161 HydrophobicContact CG-CG2 4.47Å; K159-K173 PolarHBondContact N-O 3.28Å; K159-K173 PolarHBondContact O-N 3.45Å
160V97.7Very high93.8Very high11 Ų1144.6 Ų44.67%0.06723%0.227CC..EExtended strand (participates in β ladder)trans-110.4130.8177.8-1730000109.6V147 E148 L151 L170 M171 I172V147-V160 HydrophobicContact CG1-CG2 4.23Å; E148-V160 HydrophobicContact CB-CB 3.98Å; E148-V160 HydrophobicContact CB-CG2 3.67Å; E148-V160 HydrophobicContact CG-CG2 4.18Å; E148-V160 PolarHBondContact OE2-N 3.43Å; L151-V160 HydrophobicContact CD1-CG2 4.27Å; V160-L170 HydrophobicContact CG1-CD2 3.5Å; V160-M171 CarbonylContact C-O 3.54Å; V160-M171 VanDerWaalsContact CA-O 3.31Å; V160-M171 WeakPolarHBondContact CA-O 3.17Å; V160-I172 HydrophobicContact CG1-CG1 4.41Å; V160-I172 HydrophobicContact CG2-CG1 4.24Å
161T94.2Very high93.7Very high46 Ų4646.8 Ų46.828%0.28224%0.238SC..EExtended strand (participates in β ladder)trans-133.8157.2176.357.90000110.2K159 H163 L170 M171K159-T161 HydrophobicContact CG-CG2 4.47Å; T161-H163 PolarHBondContact OG1-NE2 3.38Å; T161-L170 CarbonylContact O-C 3.54Å; T161-L170 WeakPolarHBondContact O-CA 3.31Å; T161-M171 PolarHBondContact N-O 2.89Å; T161-M171 PolarHBondContact O-N 3.5Å; T161-M171 WeakPolarHBondContact OG1-CE 3.31Å
162V91.3Very high93.7Very high21 Ų2146.8 Ų46.813%0.12724%0.238CC..EExtended strand (participates in β ladder)trans-118.4134.1-174.3-67.60000111.5N138 A140 A141 T169 L170N138-V162 HydrophobicContact CB-CG2 3.99Å; N138-V162 WeakPolarHBondContact ND2-CB 3.48Å; A140-V162 HydrophobicContact CB-CG1 4.13Å; A141-V162 HydrophobicContact CB-CG2 3.98Å; V162-T169 WeakPolarHBondContact CA-O 3.48Å; V162-L170 HydrophobicContact CG1-CD2 3.33Å; V162-L170 HydrophobicContact CG1-CG 3.95Å
163H88.8Confident93.7Very high83 Ų8348.2 Ų48.238%0.38424%0.239SC..EExtended strand (participates in β ladder)trans-138.1152.3-173.5-59.5-82.4000110.9T161 H165 T169T161-H163 PolarHBondContact OG1-NE2 3.38Å; H163-H165 PolarHBondContact O-N 2.83Å; H163-T169 PolarHBondContact N-O 3.42Å; H163-T169 PolarHBondContact O-N 3.37Å
164W86.2Confident93.8Very high133 Ų13342.7 Ų42.750%0.50421%0.213SC..EExtended strand (participates in β ladder)trans-88.292.9168.3-66.8113.5000109P122 N138 G167 T168P122-W164 HydrophobicContact CB-CH2 4.43Å; N138-W164 HydrophobicContact CB-CZ2 4.41Å; W164-G167 CarbonylContact C-O 3.54Å; W164-G167 WeakPolarHBondContact CA-O 3.4Å; W164-T168 WeakPolarHBondContact CZ3-OG1 3.42Å
165H85.1Confident93.8Very high106 Ų10646.3 Ų46.349%0.49123%0.232SC..SBendtrans-146.1124.2178.4-17570000108.8H163 G167 T169H163-H165 PolarHBondContact O-N 2.83Å; H165-G167 CarbonylContact C-O 3.58Å; H165-G167 PolarHBondContact N-O 3.45Å; H165-G167 CarbonylContact O-C 3.48Å; H165-G167 PolarHBondContact O-N 2.85Å; H165-T169 PolarHBondContact O-OG1 2.8Å
166K84.3Confident93.8Very high116 Ų11652.1 Ų52.150%0.50425%0.254SS..SBendtrans49.331.3-174-62170.2179.3172.10113.5E106 I118E106-K166 IonicContact OE1-NZ 2.95Å; E106-K166 IonicContact OE2-NZ 2.94Å; E106-K166 PolarHBondContact OE2-NZ 2.95Å; I118-K166 HydrophobicContact CD1-CD 4.06Å; I118-K166 HydrophobicContact CG2-CB 3.89Å
167G86.1Confident93.8Very high25 Ų2555.6 Ų55.626%0.25828%0.283SS..SBendtrans111.2-143.4-166.400000111E119 W164 H165E119-G167 CarbonylContact O-C 3.56Å; E119-G167 WeakPolarHBondContact O-CA 3.24Å; W164-G167 CarbonylContact C-O 3.54Å; W164-G167 WeakPolarHBondContact CA-O 3.4Å; H165-G167 CarbonylContact C-O 3.58Å; H165-G167 PolarHBondContact N-O 3.45Å; H165-G167 CarbonylContact O-C 3.48Å; H165-G167 PolarHBondContact O-N 2.85Å
168T88.1Confident93.8Very high3 Ų353.5 Ų53.52%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-88.9119.7171.2-560000109E119 A140 W164E119-T168 PolarHBondContact N-O 3.46Å; E119-T168 PolarHBondContact O-N 3.45Å; A140-T168 HydrophobicContact CB-CG2 3.44Å; A140-T168 VanDerWaalsContact CB-CG2 3.44Å; W164-T168 WeakPolarHBondContact CZ3-OG1 3.42Å
169T92.7Very high93.7Very high3 Ų353.6 Ų53.62%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-115.8129.4177.8-71.70000110.9Y116 I117 I118 V162 H163 H165Y116-T169 HydrophobicContact CD1-CG2 3.76Å; Y116-T169 HydrophobicContact CG-CG2 4.27Å; I117-T169 WeakPolarHBondContact O-CA 3.44Å; I118-T169 HydrophobicContact CG1-CG2 4.28Å; V162-T169 WeakPolarHBondContact CA-O 3.48Å; H163-T169 PolarHBondContact N-O 3.42Å; H163-T169 PolarHBondContact O-N 3.37Å; H165-T169 PolarHBondContact O-OG1 2.8Å
170L95.1Very high93.6Very high2 Ų250.9 Ų50.91%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-95.6109.2166.9-82151.2000108.5W94 Y116 I117 L123 T143 V160 T161 V162W94-L170 HydrophobicContact CH2-CD1 3.35Å; W94-L170 HydrophobicContact CZ2-CD1 3.98Å; W94-L170 HydrophobicContact CZ3-CD1 4.33Å; Y116-L170 WeakPolarHBondContact CA-O 3.39Å; I117-L170 HydrophobicContact CB-CB 4.28Å; I117-L170 PolarHBondContact N-O 3.01Å; I117-L170 PolarHBondContact O-N 3.25Å; L123-L170 HydrophobicContact CD1-CD1 4.4Å; T143-L170 HydrophobicContact CG2-CD1 4.09Å; V160-L170 HydrophobicContact CG1-CD2 3.5Å; T161-L170 CarbonylContact O-C 3.54Å; T161-L170 WeakPolarHBondContact O-CA 3.31Å; V162-L170 HydrophobicContact CG1-CD2 3.33Å; V162-L170 HydrophobicContact CG1-CG 3.95Å
171M96.9Very high93.6Very high46 Ų4654.8 Ų54.823%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-86.1119.6171.9-179.7176.776.700108.8T114 Y116 V160 T161T114-M171 HydrophobicContact CG2-CG 3.75Å; T114-M171 HydrophobicContact CG2-SD 4.02Å; Y116-M171 HydrophobicContact CD1-CB 3.94Å; Y116-M171 HydrophobicContact CD1-CG 4.02Å; Y116-M171 HydrophobicContact CE1-CB 3.85Å; Y116-M171 HydrophobicContact CE1-CG 3.55Å; Y116-M171 HydrophobicContact CE1-SD 3.93Å; V160-M171 CarbonylContact C-O 3.54Å; V160-M171 VanDerWaalsContact CA-O 3.31Å; V160-M171 WeakPolarHBondContact CA-O 3.17Å; T161-M171 PolarHBondContact N-O 2.89Å; T161-M171 PolarHBondContact O-N 3.5Å; T161-M171 WeakPolarHBondContact OG1-CE 3.31Å
172I98.5Very high93.6Very high0 Ų053.5 Ų53.50%027%0.272CS..EExtended strand (participates in β ladder)trans-108.4115.1178.2-57.8168.5000107L86 T114 Y115 I117 V147 L151 A158 V160 F174L86-I172 HydrophobicContact CD2-CD1 3.83Å; T114-I172 WeakPolarHBondContact CA-O 3.49Å; Y115-I172 PolarHBondContact N-O 2.97Å; Y115-I172 PolarHBondContact O-N 2.81Å; I117-I172 HydrophobicContact CD1-CD1 3.84Å; I117-I172 HydrophobicContact CG1-CD1 4.04Å; V147-I172 HydrophobicContact CG1-CD1 4.1Å; V147-I172 HydrophobicContact CG1-CG1 4.47Å; L151-I172 HydrophobicContact CD1-CD1 4.33Å; L151-I172 HydrophobicContact CD1-CG1 4.48Å; L151-I172 HydrophobicContact CD1-CG2 3.46Å; L151-I172 VanDerWaalsContact CD1-CG2 3.46Å; A158-I172 HydrophobicContact CB-CG2 4.12Å; V160-I172 HydrophobicContact CG1-CG1 4.41Å; V160-I172 HydrophobicContact CG2-CG1 4.24Å; I172-F174 HydrophobicContact CG2-CD2 4.41Å; I172-F174 HydrophobicContact CG2-CE1 4.24Å; I172-F174 HydrophobicContact CG2-CE2 3.93Å; I172-F174 HydrophobicContact CG2-CZ 3.84Å
173K98.5Very high93.8Very high95 Ų9557.9 Ų57.941%0.41329%0.29SS..EExtended strand (participates in β ladder)trans-113.7110.3176-171.5168.3-169.6169.60109.6D111 K113 A158 K159D111-K173 IonicContact OD2-NZ 3.81Å; K113-K173 WeakPolarHBondContact O-CA 3.45Å; A158-K173 CarbonylContact C-O 3.45Å; A158-K173 VanDerWaalsContact CA-O 3.27Å; A158-K173 WeakPolarHBondContact CA-O 3.48Å; K159-K173 PolarHBondContact N-O 3.28Å; K159-K173 PolarHBondContact O-N 3.45Å
174F98.6Very high94.1Very high5 Ų557.3 Ų57.32%0.02230%0.299CS..EExtended strand (participates in β ladder)trans-74.1151.7178.2-70.4-71.3000112V82 L86 K113 Y115 L151 F156 A158 I172 V178 I179V82-F174 HydrophobicContact CG1-CD2 4.16Å; V82-F174 HydrophobicContact CG1-CE2 3.63Å; V82-F174 HydrophobicContact CG1-CZ 4.08Å; L86-F174 HydrophobicContact CD1-CE2 4.23Å; L86-F174 HydrophobicContact CD2-CE2 4.05Å; L86-F174 HydrophobicContact CD2-CZ 3.91Å; L86-F174 HydrophobicContact CG-CE2 4.33Å; L86-F174 HydrophobicContact CG-CZ 4.27Å; K113-F174 PolarHBondContact O-N 2.9Å; Y115-F174 AromaticContact CD2-CD2 3.65Å; Y115-F174 HydrophobicContact CD2-CD2 3.65Å; Y115-F174 AromaticContact CD2-CE2 3.53Å; Y115-F174 HydrophobicContact CD2-CE2 3.53Å; Y115-F174 AromaticContact CE2-CD2 3.72Å; Y115-F174 HydrophobicContact CE2-CD2 3.72Å; Y115-F174 AromaticContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CE2-CE2 3.79Å; Y115-F174 HydrophobicContact CG-CE2 4.43Å; L151-F174 HydrophobicContact CD1-CE1 4.14Å; L151-F174 HydrophobicContact CD1-CZ 4.31Å; L151-F174 HydrophobicContact CD2-CE1 3.9Å; L151-F174 HydrophobicContact CD2-CZ 3.99Å; L151-F174 HydrophobicContact CG-CE1 4.48Å; F156-F174 HydrophobicContact CB-CD1 4.2Å; F156-F174 HydrophobicContact CB-CE1 3.75Å; A158-F174 HydrophobicContact CB-CD1 3.63Å; A158-F174 HydrophobicContact CB-CE1 3.92Å; A158-F174 HydrophobicContact CB-CG 4.35Å; I172-F174 HydrophobicContact CG2-CD2 4.41Å; I172-F174 HydrophobicContact CG2-CE1 4.24Å; I172-F174 HydrophobicContact CG2-CE2 3.93Å; I172-F174 HydrophobicContact CG2-CZ 3.84Å; F174-V178 HydrophobicContact CB-CB 4.19Å; F174-V178 HydrophobicContact CB-CG1 4.33Å; F174-V178 HydrophobicContact CD1-CB 4.47Å; F174-V178 HydrophobicContact CD1-CG1 3.95Å; F174-V178 HydrophobicContact CG-CG1 4.24Å; F174-I179 HydrophobicContact CB-CD1 4.15Å; F174-I179 HydrophobicContact CB-CG1 4.3Å; F174-I179 HydrophobicContact CD2-CD1 4.26Å; F174-I179 HydrophobicContact CG-CD1 4.45Å
175D98.4Very high94.3Very high82 Ų8253.6 Ų53.644%0.43929%0.289SS..  trans-63.9146.4166.4-71-4.3000110.1P157 A177 V178P157-D175 WeakPolarHBondContact CB-OD2 3.49Å; P157-D175 HydrophobicContact CG-CB 4.33Å; P157-D175 PolarHBondContact O-N 3.02Å; P157-D175 VanDerWaalsContact O-N 3.09Å; D175-A177 PolarHBondContact O-N 3.1Å; D175-A177 VanDerWaalsContact O-N 3.16Å; D175-V178 HydrophobicContact CB-CG2 4.34Å; D175-V178 WeakPolarHBondContact O-CB 3.39Å; D175-V178 PolarHBondContact O-N 3.24Å
176E97.3Very high94.1Very high142 Ų14254.9 Ų54.966%0.66430%0.295SS*.Hα-helixtrans-57.7-34.4-178.1-175.9163.8-16900112.9K113 V178 I179 A180K113-E176 HydrophobicContact CD-CB 4.27Å; E176-V178 PolarHBondContact O-N 3.09Å; E176-I179 PolarHBondContact O-N 3.07Å; E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.32Å
177A97.4Very high93.1Very high75 Ų7553 Ų5362%0.6231%0.309SS*.Hα-helixtrans-60.5-30.8175.700000113.3D175 R181D175-A177 PolarHBondContact O-N 3.1Å; D175-A177 VanDerWaalsContact O-N 3.16Å; A177-R181 VanDerWaalsContact O-CB 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 2.75Å
178V97.8Very high91.4Very high3 Ų364.1 Ų64.12%0.01834%0.343CS..Hα-helixtrans-69.7-47.6178.4177.30000110.4V82 F156 P157 F174 D175 E176 R181 D182V82-V178 HydrophobicContact CG2-CG1 3.79Å; F156-V178 HydrophobicContact CB-CG1 4.31Å; F156-V178 HydrophobicContact CD1-CG1 3.79Å; P157-V178 VanDerWaalsContact CD-CG2 3.48Å; P157-V178 HydrophobicContact CG-CG2 3.67Å; F174-V178 HydrophobicContact CB-CB 4.19Å; F174-V178 HydrophobicContact CB-CG1 4.33Å; F174-V178 HydrophobicContact CD1-CB 4.47Å; F174-V178 HydrophobicContact CD1-CG1 3.95Å; F174-V178 HydrophobicContact CG-CG1 4.24Å; D175-V178 HydrophobicContact CB-CG2 4.34Å; D175-V178 WeakPolarHBondContact O-CB 3.39Å; D175-V178 PolarHBondContact O-N 3.24Å; E176-V178 PolarHBondContact O-N 3.09Å; V178-R181 PolarHBondContact O-N 3.19Å; V178-D182 WeakPolarHBondContact O-CB 3.32Å; V178-D182 PolarHBondContact O-N 3.11Å
179I96.8Very high91.6Very high11 Ų1167.2 Ų67.26%0.05636%0.359CS..Hα-helixtrans-67.6-41.2179.5-59.6-50.8000111V82 K113 Y115 F174 E176 R181 D182 K183V82-I179 HydrophobicContact CG2-CD1 4.28Å; K113-I179 HydrophobicContact CB-CG1 4.17Å; K113-I179 HydrophobicContact CG-CB 4.28Å; K113-I179 HydrophobicContact CG-CG1 3.54Å; Y115-I179 HydrophobicContact CE2-CD1 4.41Å; F174-I179 HydrophobicContact CB-CD1 4.15Å; F174-I179 HydrophobicContact CB-CG1 4.3Å; F174-I179 HydrophobicContact CD2-CD1 4.26Å; F174-I179 HydrophobicContact CG-CD1 4.45Å; E176-I179 PolarHBondContact O-N 3.07Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.03Å; I179-D182 PolarHBondContact O-N 3.49Å; I179-K183 HydrophobicContact CG2-CD 4.26Å; I179-K183 WeakPolarHBondContact O-CG 3.47Å; I179-K183 PolarHBondContact O-N 2.92Å
180A96.2Very high91.5Very high60 Ų6070.5 Ų70.550%0.49638%0.377SS..Hα-helixtrans-58.8-44174.600000111.8E176 A184E176-A180 WeakPolarHBondContact O-CB 3.3Å; E176-A180 PolarHBondContact O-N 3.32Å; A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-N 3.12Å
181R96.6Very high91.3Very high93 Ų9374.3 Ų74.335%0.35140%0.397SS..Hα-helixtrans-63.6-44.6175-178.2-166.268.4-162.9-0.8111.9G155 A177 V178 I179 A184 L185G155-R181 PolarHBondContact O-NH1 3.49Å; G155-R181 PolarHBondContact O-NH2 3.41Å; A177-R181 VanDerWaalsContact O-CB 3.28Å; A177-R181 WeakPolarHBondContact O-CB 3.16Å; A177-R181 PolarHBondContact O-N 2.75Å; V178-R181 PolarHBondContact O-N 3.19Å; I179-R181 VanDerWaalsContact C-N 3.32Å; I179-R181 PolarHBondContact O-N 3.03Å; R181-A184 PolarHBondContact O-N 2.9Å; R181-L185 HydrophobicContact CG-CD1 4.12Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 3.17Å; R181-L185 VanDerWaalsContact O-N 3.08Å
182D96Very high91Very high19 Ų1976 Ų7610%0.10241%0.407CS..Hα-helixtrans-61-48.1-177.9-157.157.9000110.9K81 V82 V178 I179 A184 L185 E186K81-D182 VanDerWaalsContact CA-OD1 3.26Å; K81-D182 WeakPolarHBondContact CA-OD1 2.84Å; V82-D182 WeakPolarHBondContact CB-OD2 3.44Å; V82-D182 HydrophobicContact CG2-CB 3.78Å; V82-D182 VanDerWaalsContact CG2-CG 3.47Å; V82-D182 PolarHBondContact N-OD1 3.3Å; V178-D182 WeakPolarHBondContact O-CB 3.32Å; V178-D182 PolarHBondContact O-N 3.11Å; I179-D182 PolarHBondContact O-N 3.49Å; D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 3.29Å; D182-L185 WeakPolarHBondContact O-CB 3.25Å; D182-L185 PolarHBondContact O-N 3.39Å; D182-E186 PolarHBondContact O-N 2.92Å; D182-E186 VanDerWaalsContact O-N 3.15Å
183K94.6Very high90.5Very high114 Ų11480.8 Ų80.850%0.49643%0.433SS..Hα-helixtrans-59.6-40.5174.8-69.9178.2-178.6176.20112.7D112 I179 L185 E186D112-K183 WeakPolarHBondContact OD2-CE 3.36Å; D112-K183 IonicContact OD2-NZ 2.63Å; D112-K183 PolarHBondContact OD2-NZ 3.28Å; I179-K183 HydrophobicContact CG2-CD 4.26Å; I179-K183 WeakPolarHBondContact O-CG 3.47Å; I179-K183 PolarHBondContact O-N 2.92Å; K183-L185 PolarHBondContact O-N 3.06Å; K183-E186 PolarHBondContact O-N 3.08Å
184A94.4Very high90Very high70 Ų7079.8 Ų79.858%0.57943%0.434SS*.Hα-helixtrans-65.5-27.117700000112.9A180 R181 D182A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-N 3.12Å; R181-A184 PolarHBondContact O-N 2.9Å; D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 3.29Å
185L91.1Very high89.4Confident55 Ų5585.1 Ų85.129%0.28846%0.464SS..Hα-helixtrans-83.3-17.6175.9-68.6172000113.2R181 D182 K183 G187 R188R181-L185 HydrophobicContact CG-CD1 4.12Å; R181-L185 WeakPolarHBondContact O-CG 3.29Å; R181-L185 PolarHBondContact O-N 3.17Å; R181-L185 VanDerWaalsContact O-N 3.08Å; D182-L185 WeakPolarHBondContact O-CB 3.25Å; D182-L185 PolarHBondContact O-N 3.39Å; K183-L185 PolarHBondContact O-N 3.06Å; L185-G187 VanDerWaalsContact C-N 3.31Å; L185-R188 PolarHBondContact O-N 2.72Å
186E81.3Confident88.7Confident133 Ų13385.4 Ų85.462%0.62147%0.465SS*.Hα-helixtrans-72.1-24.6174.2-69.7-172.7147.300113D182 K183 R188D182-E186 PolarHBondContact O-N 2.92Å; D182-E186 VanDerWaalsContact O-N 3.15Å; K183-E186 PolarHBondContact O-N 3.08Å; E186-R188 PolarHBondContact O-N 3.18Å
187G62.5Low88Confident76 Ų7680.7 Ų80.778%0.78445%0.449SS*.THydrogen-bonded Turntrans-7710.7173.900000114.9L185L185-G187 VanDerWaalsContact C-N 3.31Å
188R51.1Low87.1Confident259 Ų25981.2 Ų81.298%0.97743%0.433SS*.  trans-1300178.6-69.3-175.8179.3176.50.7110.5L185 E186L185-R188 PolarHBondContact O-N 2.72Å; E186-R188 PolarHBondContact O-N 3.18Å

Retrieved 188 of 188 residues in 1424.8 ms (Link to these results)