A0A087YHJ7_POEFO Loading...

Synaptotagmin 9

AlphaFold DB , UniProt , Accession A0A087YHJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 559 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
1M44.7Very low60.9Low217 Ų217115.8 Ų115.8100%1.06960%0.6SS**  0146.90-65.4-52.7-168.700108
2P48.7Very low62Low101 Ų101115.4 Ų115.466%0.65659%0.59SS**  trans-86-19.4177.732.2-33.2000114.3D4 R5P2-D4 PolarHBondContact O-N 3.29Å; P2-R5 PolarHBondContact O-N 3.36Å
3G53.1Low62.8Low28 Ų28110.2 Ų110.229%0.28958%0.575SS.*Hα-helixtrans-48.3-56.5-168.100000115.8R5 D6 D7G3-R5 PolarHBondContact O-N 2.92Å; G3-D6 PolarHBondContact O-N 2.75Å; G3-D7 PolarHBondContact O-N 3.09Å
4D56.8Low63.5Low129 Ų129106.4 Ų106.469%0.6956%0.555SS**Hα-helixtrans-48-33-174.4-45-16.5000114.1P2 E8P2-D4 PolarHBondContact O-N 3.29Å; D4-E8 PolarHBondContact O-N 3.47Å; D4-E8 VanDerWaalsContact O-N 3.12Å
5R59.2Low64.1Low192 Ų192107.5 Ų107.573%0.72556%0.557SS**Hα-helixtrans-82.6-32.1-178.7-175.7174.7170-163.8-6.7113.2P2 G3 I9P2-R5 PolarHBondContact O-N 3.36Å; G3-R5 PolarHBondContact O-N 2.92Å; R5-I9 WeakPolarHBondContact O-CD1 3.36Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.77Å
6D62.5Low64.8Low97 Ų97107.6 Ų107.652%0.51956%0.557SS.*Hα-helixtrans-76.4-36.1174.2-63.8-32.7000110G3 I9 C10G3-D6 PolarHBondContact O-N 2.75Å; D6-I9 PolarHBondContact O-N 2.97Å; D6-I9 VanDerWaalsContact O-N 3.17Å; D6-C10 PolarHBondContact O-N 3.41Å
7D64.8Low65.2Low104 Ų104106.3 Ų106.356%0.55655%0.551SS**Hα-helixtrans-62-44.1172-69.9-39.7000111.8G3 I9 C10 Q11G3-D7 PolarHBondContact O-N 3.09Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 2.87Å; D7-C10 PolarHBondContact O-N 2.83Å; D7-Q11 WeakPolarHBondContact O-CB 3.31Å; D7-Q11 PolarHBondContact O-N 3.43Å
8E70.5Confident65.4Low108 Ų108103.1 Ų103.151%0.50554%0.539SS..Hα-helixtrans-57.7-38.2171.7-98.3-160.6-146.800113D4 K12D4-E8 PolarHBondContact O-N 3.47Å; D4-E8 VanDerWaalsContact O-N 3.12Å; E8-K12 WeakPolarHBondContact O-CB 3.29Å; E8-K12 WeakPolarHBondContact O-CD 3.23Å; E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 3.22Å; E8-K12 VanDerWaalsContact O-N 3.11Å; E8-K12 IonicContact OE2-NZ 2.66Å; E8-K12 PolarHBondContact OE2-NZ 3.1Å
9I72.3Confident65.8Low98 Ų98101.1 Ų101.150%0.50353%0.529SS..Hα-helixtrans-71.6-43.1179.6-71165.2000110.1R5 D6 D7 K12 A13R5-I9 WeakPolarHBondContact O-CD1 3.36Å; R5-I9 VanDerWaalsContact O-CG1 3.26Å; R5-I9 WeakPolarHBondContact O-CG1 3.47Å; R5-I9 PolarHBondContact O-N 2.77Å; D6-I9 PolarHBondContact O-N 2.97Å; D6-I9 VanDerWaalsContact O-N 3.17Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 2.87Å; I9-K12 PolarHBondContact O-N 2.9Å; I9-A13 WeakPolarHBondContact O-CB 3.15Å; I9-A13 PolarHBondContact O-N 3.15Å
10C66.1Low66.1Low75 Ų7599.1 Ų99.151%0.50752%0.519SS..Hα-helixtrans-58-48.6171.8-85.50000111.5D6 D7 K12 A13 L14D6-C10 PolarHBondContact O-N 3.41Å; D7-C10 PolarHBondContact O-N 2.83Å; C10-K12 PolarHBondContact O-N 2.86Å; C10-A13 PolarHBondContact O-N 3.35Å; C10-L14 WeakPolarHBondContact O-CB 3.02Å; C10-L14 WeakPolarHBondContact O-CD1 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3.36Å
11Q71.2Confident66.2Low125 Ų12595.6 Ų95.658%0.58450%0.502SS*.Hα-helixtrans-60.5-44.1-179.3-171.8168.7-8.800112.1D7 L14 E15D7-Q11 WeakPolarHBondContact O-CB 3.31Å; D7-Q11 PolarHBondContact O-N 3.43Å; Q11-L14 PolarHBondContact O-N 2.99Å; Q11-E15 PolarHBondContact O-N 2.88Å
12K74.1Confident67.3Low111 Ų11189.2 Ų89.248%0.48348%0.479SS..Hα-helixtrans-67.5-34.9177.2-71.2163.4-173.8166.30113E8 I9 C10 L14 L16E8-K12 WeakPolarHBondContact O-CB 3.29Å; E8-K12 WeakPolarHBondContact O-CD 3.23Å; E8-K12 VanDerWaalsContact O-CG 3.31Å; E8-K12 WeakPolarHBondContact O-CG 3.5Å; E8-K12 PolarHBondContact O-N 3.22Å; E8-K12 VanDerWaalsContact O-N 3.11Å; E8-K12 IonicContact OE2-NZ 2.66Å; E8-K12 PolarHBondContact OE2-NZ 3.1Å; I9-K12 PolarHBondContact O-N 2.9Å; C10-K12 PolarHBondContact O-N 2.86Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L16 PolarHBondContact O-N 3.12Å
13A73.1Confident68.3Low48 Ų4890.4 Ų90.440%0.39747%0.474SS..Hα-helixtrans-67.1-34.8173.600000112.2I9 C10 L17I9-A13 WeakPolarHBondContact O-CB 3.15Å; I9-A13 PolarHBondContact O-N 3.15Å; C10-A13 PolarHBondContact O-N 3.35Å; A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.17Å
14L71.4Confident68.8Low56 Ų5691.7 Ų91.729%0.29349%0.487SS..Hα-helixtrans-75.5-36.7178.7-67.9163.3000112.3C10 Q11 K12 L17 S18 F34 F38C10-L14 WeakPolarHBondContact O-CB 3.02Å; C10-L14 WeakPolarHBondContact O-CD1 3.44Å; C10-L14 WeakPolarHBondContact O-CG 3.38Å; C10-L14 PolarHBondContact O-N 3.36Å; Q11-L14 PolarHBondContact O-N 2.99Å; K12-L14 VanDerWaalsContact C-N 3.33Å; L14-L17 HydrophobicContact CD2-CD1 4.36Å; L14-L17 PolarHBondContact O-N 3.44Å; L14-S18 PolarHBondContact O-N 2.98Å; L14-F34 HydrophobicContact CD2-CE1 4.27Å; L14-F38 HydrophobicContact CB-CE1 4.09Å; L14-F38 HydrophobicContact CB-CE2 4.4Å; L14-F38 HydrophobicContact CB-CZ 3.62Å; L14-F38 HydrophobicContact CD1-CZ 3.98Å; L14-F38 HydrophobicContact CD2-CE2 4.23Å; L14-F38 HydrophobicContact CD2-CZ 3.86Å; L14-F38 HydrophobicContact CG-CZ 3.99Å
15E72.9Confident69.2Low124 Ų12493 Ų9358%0.57949%0.489SS*.Hα-helixtrans-59.9-43.8169-73.9-179.5157.400111.7Q11 S18 D19Q11-E15 PolarHBondContact O-N 2.88Å; E15-S18 WeakPolarHBondContact O-CB 3.49Å; E15-S18 PolarHBondContact O-N 3.48Å; E15-D19 PolarHBondContact O-N 3.14Å
16L75.3Confident69.2Low108 Ų10886.9 Ų86.957%0.56547%0.473SS*.Hα-helixtrans-61.3-42174.6-90.9161.7000112.9K12 D19 L20K12-L16 PolarHBondContact O-N 3.12Å; L16-D19 PolarHBondContact O-N 3.24Å; L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.81Å
17L71.8Confident68.9Low86 Ų8691.8 Ų91.845%0.4549%0.492SS..Hα-helixtrans-65.3-38175.8-76.6166.1000112.3A13 L14 L20 C21A13-L17 WeakPolarHBondContact O-CG 3.45Å; A13-L17 PolarHBondContact O-N 3.17Å; L14-L17 HydrophobicContact CD2-CD1 4.36Å; L14-L17 PolarHBondContact O-N 3.44Å; L17-L20 PolarHBondContact O-N 2.95Å; L17-C21 PolarHBondContact O-N 3.33Å
18S69.3Low68.6Low48 Ų4891.7 Ų91.734%0.33649%0.492SS..Hα-helixtrans-63.1-47.9175.2-170.70000111.7L14 E15 L20 C21 S22L14-S18 PolarHBondContact O-N 2.98Å; E15-S18 WeakPolarHBondContact O-CB 3.49Å; E15-S18 PolarHBondContact O-N 3.48Å; S18-L20 PolarHBondContact O-N 3.1Å; S18-C21 PolarHBondContact O-N 2.84Å; S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.26Å
19D72.3Confident68Low65 Ų6595.1 Ų95.135%0.34851%0.508SS..Hα-helixtrans-59.7-44.5176.3-177.752.5000112E15 L16 S22 K23E15-D19 PolarHBondContact O-N 3.14Å; L16-D19 PolarHBondContact O-N 3.24Å; D19-S22 PolarHBondContact O-N 2.87Å; D19-S22 PolarHBondContact O-OG 2.84Å; D19-K23 WeakPolarHBondContact O-CG 3.5Å; D19-K23 PolarHBondContact O-N 2.96Å; D19-K23 VanDerWaalsContact O-N 3.09Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.75Å; D19-K23 PolarHBondContact OD1-NZ 3.37Å; D19-K23 IonicContact OD2-NZ 3.25Å; D19-K23 PolarHBondContact OD2-NZ 3.08Å
20L71.5Confident67.2Low61 Ų6195.2 Ų95.232%0.31951%0.509SS..Hα-helixtrans-67.8-41.1178.6-71.1168.8000113.6L16 L17 S18 S22 G24 V26L16-L20 WeakPolarHBondContact O-CB 3.39Å; L16-L20 VanDerWaalsContact O-CG 3.25Å; L16-L20 WeakPolarHBondContact O-CG 3.29Å; L16-L20 PolarHBondContact O-N 2.81Å; L17-L20 PolarHBondContact O-N 2.95Å; S18-L20 PolarHBondContact O-N 3.1Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-G24 PolarHBondContact O-N 3.28Å; L20-V26 HydrophobicContact CB-CG2 4Å
21C69.3Low66.8Low26 Ų2692.6 Ų92.618%0.17649%0.492CS..Hα-helixtrans-61.9-41.7169.6-84.70000110.8L17 S18 K23 G24 C31 I35L17-C21 PolarHBondContact O-N 3.33Å; S18-C21 PolarHBondContact O-N 2.84Å; C21-K23 VanDerWaalsContact C-N 3.27Å; C21-K23 PolarHBondContact O-N 3.2Å; C21-G24 PolarHBondContact O-N 3.35Å; C21-G24 VanDerWaalsContact O-N 3.14Å; C21-C31 HydrophobicContact CB-CB 3.84Å; C21-C31 WeakPolarHBondContact CB-SG 3.48Å; C21-C31 WeakPolarHBondContact SG-CB 3.41Å; C21-C31 CovalentContact SG-SG 2.06Å; C21-C31 PolarHBondContact SG-SG 3.02Å; C21-I35 HydrophobicContact CB-CD1 4.39Å
22S66.4Low66.3Low83 Ų8392.2 Ų92.258%0.5849%0.493SS*.Hα-helixtrans-65.2-28.8-177.782.50000113.9S18 D19 L20S18-S22 WeakPolarHBondContact O-CB 3.46Å; S18-S22 PolarHBondContact O-N 3.26Å; D19-S22 PolarHBondContact O-N 2.87Å; D19-S22 PolarHBondContact O-OG 2.84Å; L20-S22 VanDerWaalsContact C-N 3.33Å
23K70.8Confident65.4Low127 Ų12792.5 Ų92.555%0.55250%0.5SS*.THydrogen-bonded Turntrans-85.1-9.2177.1-72.9165.3178.6164.90113.7D19 C21 E25D19-K23 WeakPolarHBondContact O-CG 3.5Å; D19-K23 PolarHBondContact O-N 2.96Å; D19-K23 VanDerWaalsContact O-N 3.09Å; D19-K23 WeakPolarHBondContact OD1-CE 3.46Å; D19-K23 IonicContact OD1-NZ 2.75Å; D19-K23 PolarHBondContact OD1-NZ 3.37Å; D19-K23 IonicContact OD2-NZ 3.25Å; D19-K23 PolarHBondContact OD2-NZ 3.08Å; C21-K23 VanDerWaalsContact C-N 3.27Å; C21-K23 PolarHBondContact O-N 3.2Å; K23-E25 VanDerWaalsContact C-N 3.29Å; K23-E25 HydrophobicContact CB-CG 4.48Å; K23-E25 PolarHBondContact O-N 2.82Å
24G62.5Low64.7Low54 Ų5495 Ų9556%0.55750%0.502SS*.THydrogen-bonded Turntrans7412.7178.400000115.1L20 C21 V26L20-G24 PolarHBondContact O-N 3.28Å; C21-G24 PolarHBondContact O-N 3.35Å; C21-G24 VanDerWaalsContact O-N 3.14Å; G24-V26 PolarHBondContact O-N 2.73Å
25E65.1Low64.1Low158 Ų15896 Ų9674%0.73851%0.507SS*.  trans-76.8-10.9177.8-63.4-165.1173.800112.9K23K23-E25 VanDerWaalsContact C-N 3.29Å; K23-E25 HydrophobicContact CB-CG 4.48Å; K23-E25 PolarHBondContact O-N 2.82Å
26V60.2Low63.4Low63 Ų6395 Ų9538%0.38250%0.499SS..SBendtrans-105.4106.4176.5-175.70000110.1L20 G24 N28L20-V26 HydrophobicContact CB-CG2 4Å; G24-V26 PolarHBondContact O-N 2.73Å; V26-N28 HydrophobicContact CG1-CB 4.42Å; V26-N28 PolarHBondContact O-N 2.77Å; V26-N28 VanDerWaalsContact O-N 3.15Å
27Q55.6Low62.5Low199 Ų19997.6 Ų97.693%0.9350%0.502SS*.  trans-80.489.6173.4-67.8-175.20.700110.8
28N58.5Low61.6Low103 Ų10396 Ų9655%0.55149%0.492SS*.  trans-153.6135.9169.8-160-5.5000110.9V26 N30 C31V26-N28 HydrophobicContact CG1-CB 4.42Å; V26-N28 PolarHBondContact O-N 2.77Å; V26-N28 VanDerWaalsContact O-N 3.15Å; N28-N30 PolarHBondContact O-N 2.88Å; N28-C31 PolarHBondContact O-N 3.43Å
29E57.3Low60.9Low179 Ų179100 Ų10084%0.83650%0.499SS*.THydrogen-bonded Turntrans-65.9-24.2-172.5-58.4-167.415800112.4C31E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.84Å
30N55.9Low59.9Low100 Ų100102.3 Ų102.354%0.53551%0.512SS..THydrogen-bonded Turntrans-75.5-2.5-178.6-60.25.4000114.9N28 L32 D33 F34N28-N30 PolarHBondContact O-N 2.88Å; N30-L32 PolarHBondContact O-N 3.15Å; N30-D33 PolarHBondContact O-N 3.26Å; N30-F34 PolarHBondContact O-N 2.86Å
31C58.4Low59Low21 Ų21105 Ų10514%0.14253%0.526CS..Hα-helixtrans-60.3-29177-90.40000112.4C21 N28 E29 I35C21-C31 HydrophobicContact CB-CB 3.84Å; C21-C31 WeakPolarHBondContact CB-SG 3.48Å; C21-C31 WeakPolarHBondContact SG-CB 3.41Å; C21-C31 CovalentContact SG-SG 2.06Å; C21-C31 PolarHBondContact SG-SG 3.02Å; N28-C31 PolarHBondContact O-N 3.43Å; E29-C31 VanDerWaalsContact C-N 3.28Å; E29-C31 PolarHBondContact O-N 2.84Å; C31-I35 WeakPolarHBondContact O-CD1 3.35Å; C31-I35 VanDerWaalsContact O-CG1 3.29Å; C31-I35 WeakPolarHBondContact O-CG1 3.25Å; C31-I35 PolarHBondContact O-N 2.77Å; C31-I35 VanDerWaalsContact O-N 3.1Å
32L60.3Low57.8Low116 Ų116109 Ų10961%0.60755%0.55SS*.Hα-helixtrans-66.1-50.3178.8-71.3173.6000112.1N30 F34 I35 Y36N30-L32 PolarHBondContact O-N 3.15Å; L32-F34 VanDerWaalsContact C-N 3.26Å; L32-F34 PolarHBondContact O-N 2.86Å; L32-I35 PolarHBondContact O-N 3Å; L32-I35 VanDerWaalsContact O-N 3.12Å; L32-Y36 VanDerWaalsContact O-CD2 3.24Å; L32-Y36 WeakPolarHBondContact O-CD2 3.49Å; L32-Y36 PolarHBondContact O-N 2.7Å
33D56.3Low56.8Low117 Ų117112.3 Ų112.363%0.62655%0.55SS*.Hα-helixtrans-60.3-37.6178.4-70.9-14.7000111.7N30 Y36 Y37N30-D33 PolarHBondContact O-N 3.26Å; D33-Y36 PolarHBondContact O-N 3Å; D33-Y37 PolarHBondContact O-N 2.71Å
34F57.8Low55.3Low102 Ų102111.7 Ų111.745%0.44756%0.559SS.*Hα-helixtrans-61.6-46.1173.9-112.6-98000112.2L14 N30 L32 Y36 Y37 F38L14-F34 HydrophobicContact CD2-CE1 4.27Å; N30-F34 PolarHBondContact O-N 2.86Å; L32-F34 VanDerWaalsContact C-N 3.26Å; L32-F34 PolarHBondContact O-N 2.86Å; F34-Y36 VanDerWaalsContact C-N 3.3Å; F34-Y36 PolarHBondContact O-N 3.28Å; F34-Y37 PolarHBondContact O-N 3.37Å; F34-F38 HydrophobicContact CD1-CD2 4.3Å; F34-F38 AromaticContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 4.08Å; F34-F38 WeakPolarHBondContact O-CD2 3.19Å; F34-F38 PolarHBondContact O-N 3.25Å; F34-F38 VanDerWaalsContact O-N 3.16Å
35I59.3Low54.3Low75 Ų75121 Ų12139%0.38558%0.577SS.*Hα-helixtrans-62.6-37.6177.6-70.2164.7000111.2C21 C31 L32 R39C21-I35 HydrophobicContact CB-CD1 4.39Å; C31-I35 WeakPolarHBondContact O-CD1 3.35Å; C31-I35 VanDerWaalsContact O-CG1 3.29Å; C31-I35 WeakPolarHBondContact O-CG1 3.25Å; C31-I35 PolarHBondContact O-N 2.77Å; C31-I35 VanDerWaalsContact O-N 3.1Å; L32-I35 PolarHBondContact O-N 3Å; L32-I35 VanDerWaalsContact O-N 3.12Å; I35-R39 PolarHBondContact O-N 3.49Å
36Y58.3Low53.1Low104 Ų104123.4 Ų123.441%0.40858%0.581SS.*Hα-helixtrans-67.8-44174.8-79.6-68.7000112.8L32 D33 F34 F38 R39 D40L32-Y36 VanDerWaalsContact O-CD2 3.24Å; L32-Y36 WeakPolarHBondContact O-CD2 3.49Å; L32-Y36 PolarHBondContact O-N 2.7Å; D33-Y36 PolarHBondContact O-N 3Å; F34-Y36 VanDerWaalsContact C-N 3.3Å; F34-Y36 PolarHBondContact O-N 3.28Å; Y36-F38 VanDerWaalsContact C-N 3.3Å; Y36-F38 PolarHBondContact O-N 2.92Å; Y36-R39 WeakPolarHBondContact O-CB 3.48Å; Y36-R39 PolarHBondContact O-N 3.27Å; Y36-R39 VanDerWaalsContact O-N 3.08Å; Y36-D40 PolarHBondContact O-N 3.16Å
37Y54.7Low52.4Low162 Ų162124.1 Ų124.164%0.63559%0.588SS**Hα-helixtrans-59.4-39.6178.9-170-98.4000112.5D33 F34 L41D33-Y37 PolarHBondContact O-N 2.71Å; F34-Y37 PolarHBondContact O-N 3.37Å; Y37-L41 HydrophobicContact CD1-CD1 4.12Å; Y37-L41 HydrophobicContact CE1-CD1 3.86Å
38F53.6Low51.9Low54 Ų54121.1 Ų121.124%0.23758%0.579CS.*Hα-helixtrans-70.2-31.3174.9-84.5-74.6000114L14 F34 Y36 L41L14-F38 HydrophobicContact CB-CE1 4.09Å; L14-F38 HydrophobicContact CB-CE2 4.4Å; L14-F38 HydrophobicContact CB-CZ 3.62Å; L14-F38 HydrophobicContact CD1-CZ 3.98Å; L14-F38 HydrophobicContact CD2-CE2 4.23Å; L14-F38 HydrophobicContact CD2-CZ 3.86Å; L14-F38 HydrophobicContact CG-CZ 3.99Å; F34-F38 HydrophobicContact CD1-CD2 4.3Å; F34-F38 AromaticContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CD1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 4.08Å; F34-F38 WeakPolarHBondContact O-CD2 3.19Å; F34-F38 PolarHBondContact O-N 3.25Å; F34-F38 VanDerWaalsContact O-N 3.16Å; Y36-F38 VanDerWaalsContact C-N 3.3Å; Y36-F38 PolarHBondContact O-N 2.92Å; F38-L41 HydrophobicContact CD1-CD1 4.34Å; F38-L41 HydrophobicContact CE1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.08Å
39R55.2Low51.4Low130 Ų130119.9 Ų119.949%0.49158%0.578SS.*Hα-helixtrans-64.8-41.5176-178.5172.1164.5165.3-5.4111.7I35 Y36 L41 T42 D281I35-R39 PolarHBondContact O-N 3.49Å; Y36-R39 WeakPolarHBondContact O-CB 3.48Å; Y36-R39 PolarHBondContact O-N 3.27Å; Y36-R39 VanDerWaalsContact O-N 3.08Å; R39-L41 PolarHBondContact O-N 3.04Å; R39-T42 PolarHBondContact O-N 2.94Å; R39-T42 VanDerWaalsContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.26Å; R39-D281 IonicContact CZ-OD1 2.88Å; R39-D281 IonicContact NH2-OD1 2.8Å; R39-D281 PolarHBondContact NH2-OD1 3.18Å; R39-D281 IonicContact NH2-OD2 3.41Å; R39-D281 PolarHBondContact NH2-OD2 3.31Å
40D51.6Low51.1Low114 Ų114115.4 Ų115.461%0.6156%0.56SS**Hα-helixtrans-64-37.9178.6-104.3-19.2000112.8Y36 T42 R43Y36-D40 PolarHBondContact O-N 3.16Å; D40-T42 PolarHBondContact O-N 3.19Å; D40-T42 VanDerWaalsContact O-N 3.16Å; D40-R43 WeakPolarHBondContact O-CB 3.41Å; D40-R43 PolarHBondContact O-N 3Å; D40-R43 VanDerWaalsContact O-N 3.14Å
41L50.9Low51.1Low117 Ų117115.6 Ų115.661%0.61356%0.56SS**Hα-helixtrans-63.2-18.8176-74.7167.3000113.9Y37 F38 R39Y37-L41 HydrophobicContact CD1-CD1 4.12Å; Y37-L41 HydrophobicContact CE1-CD1 3.86Å; F38-L41 HydrophobicContact CD1-CD1 4.34Å; F38-L41 HydrophobicContact CE1-CD1 4.26Å; F38-L41 PolarHBondContact O-N 3.08Å; R39-L41 PolarHBondContact O-N 3.04Å
42T44.6Very low50.9Low112 Ų112118 Ų11869%0.68758%0.577SS**THydrogen-bonded Turntrans-88.51.9176.962.70000114.4R39 D40R39-T42 PolarHBondContact O-N 2.94Å; R39-T42 VanDerWaalsContact O-N 3.17Å; R39-T42 PolarHBondContact O-OG1 3.26Å; D40-T42 PolarHBondContact O-N 3.19Å; D40-T42 VanDerWaalsContact O-N 3.16Å
43R45.7Very low50.9Low152 Ų152117 Ų11757%0.57458%0.576SS**PPolyproline II helixtrans-78124.4-177.6-144.4172.6-159.4-172.25.3111.4D40 D281D40-R43 WeakPolarHBondContact O-CB 3.41Å; D40-R43 PolarHBondContact O-N 3Å; D40-R43 VanDerWaalsContact O-N 3.14Å; R43-D281 PolarHBondContact NH2-O 2.96Å
44P39.4Very low51.4Low114 Ų114115.2 Ų115.274%0.7457%0.572SS**PPolyproline II helixtrans-63.7138.8176.7-21.633.1000112.1Y46P44-Y46 PolarHBondContact O-N 3.42Å
45R42.2Very low51.9Low249 Ų249115.5 Ų115.594%0.9458%0.577SS**PPolyproline II helixtrans-68.7128.5170-67-169.8-174-175.64110.1
46Y38.7Very low52.4Low209 Ų209117.7 Ų117.782%0.8259%0.589SS**PPolyproline II helixtrans-61.1149.8169-104.3-99.4000111.4P44 D50P44-Y46 PolarHBondContact O-N 3.42Å; Y46-D50 WeakPolarHBondContact CE1-OD2 3.17Å
47S46.8Very low53.2Low78 Ų78116.2 Ų116.255%0.54559%0.594SS.*PPolyproline II helixtrans-99.2151.5177.256.40000112S49S47-S49 PolarHBondContact O-N 3.24Å
48D45.5Very low54.5Low136 Ų136113.7 Ų113.773%0.72759%0.591SS**THydrogen-bonded Turntrans-54.9-19.4-174-89.2-58.6000115.9D50 I51D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 3.43Å; D48-I51 PolarHBondContact O-N 3.12Å
49S47.8Very low56Low76 Ų76115.1 Ų115.153%0.53160%0.604SS.*Hα-helixtrans-49.7-46.6-172.9-55.70000113.7S47 I51 S52S47-S49 PolarHBondContact O-N 3.24Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.33Å; S49-S52 PolarHBondContact O-N 2.92Å; S49-S52 PolarHBondContact O-OG 3.49Å
50D49.6Very low57.6Low86 Ų86113.4 Ų113.446%0.4661%0.608SS.*Hα-helixtrans-73-24.3-170.6-63.6-43.9000113.5Y46 D48 S52 V53 S54Y46-D50 WeakPolarHBondContact CE1-OD2 3.17Å; D48-D50 VanDerWaalsContact C-N 3.32Å; D48-D50 PolarHBondContact O-N 3.43Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.57Å; D50-V53 PolarHBondContact O-N 3.49Å; D50-S54 PolarHBondContact O-N 2.78Å
51I56.3Low59.2Low103 Ų103111.7 Ų111.753%0.52860%0.602SS.*Hα-helixtrans-62.4-38.5176.6-58.8175.7000109.9D48 S49 S54 L55D48-I51 PolarHBondContact O-N 3.12Å; S49-I51 VanDerWaalsContact C-N 3.33Å; S49-I51 PolarHBondContact O-N 3.33Å; I51-S54 PolarHBondContact O-N 2.88Å; I51-L55 HydrophobicContact CG2-CD1 4.3Å; I51-L55 PolarHBondContact O-N 3.35Å; I51-L55 VanDerWaalsContact O-N 3.08Å
52S55.5Low60.9Low73 Ų73108.6 Ų108.651%0.5159%0.593SS.*Hα-helixtrans-64.9-40.217975.30000112.7S49 D50 L56S49-S52 PolarHBondContact O-N 2.92Å; S49-S52 PolarHBondContact O-OG 3.49Å; D50-S52 VanDerWaalsContact C-N 3.26Å; D50-S52 PolarHBondContact O-N 2.57Å; S52-L56 PolarHBondContact O-N 2.85Å
53V59Low63.1Low95 Ų95106.7 Ų106.758%0.57658%0.584SS**Hα-helixtrans-70.4-41.7179.5-176.70000110.7D50 L56 S57D50-V53 PolarHBondContact O-N 3.49Å; V53-L56 PolarHBondContact O-N 3.15Å; V53-S57 PolarHBondContact O-N 2.9Å
54S67.6Low65.3Low78 Ų78101.3 Ų101.355%0.54558%0.575SS.*Hα-helixtrans-62.9-44.4178.3-166.80000112.1D50 I51 L56 S57 L58D50-S54 PolarHBondContact O-N 2.78Å; I51-S54 PolarHBondContact O-N 2.88Å; S54-L56 PolarHBondContact O-N 2.97Å; S54-S57 PolarHBondContact O-N 2.97Å; S54-L58 WeakPolarHBondContact O-CB 3.15Å; S54-L58 PolarHBondContact O-N 2.97Å
55L67.8Low67.7Low108 Ų108101.8 Ų101.857%0.56557%0.571SS**Hα-helixtrans-59.6-43.7174.1-88.4165.2000112.8I51 S57 L58 V59I51-L55 HydrophobicContact CG2-CD1 4.3Å; I51-L55 PolarHBondContact O-N 3.35Å; I51-L55 VanDerWaalsContact O-N 3.08Å; L55-S57 PolarHBondContact O-N 2.86Å; L55-L58 PolarHBondContact O-N 2.83Å; L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.79Å
56L69.9Low70Confident121 Ų12192.8 Ų92.863%0.63455%0.55SS*.Hα-helixtrans-64.6-41.1-179.8-129162.8000111.4S52 V53 S54 V59 V60S52-L56 PolarHBondContact O-N 2.85Å; V53-L56 PolarHBondContact O-N 3.15Å; S54-L56 PolarHBondContact O-N 2.97Å; L56-V59 PolarHBondContact O-N 2.98Å; L56-V60 HydrophobicContact CD2-CG2 4.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.26Å; L56-V60 PolarHBondContact O-N 3.07Å
57S75.8Confident72.5Confident73 Ų7388.9 Ų88.951%0.5154%0.542SS..Hα-helixtrans-60.9-43.1172.8-172.40000112.5V53 S54 L55 V60 T61V53-S57 PolarHBondContact O-N 2.9Å; S54-S57 PolarHBondContact O-N 2.97Å; L55-S57 PolarHBondContact O-N 2.86Å; S57-V60 PolarHBondContact O-N 2.91Å; S57-T61 WeakPolarHBondContact O-CB 3.24Å; S57-T61 WeakPolarHBondContact O-CG2 3.49Å; S57-T61 PolarHBondContact O-N 2.87Å; S57-T61 PolarHBondContact O-OG1 2.57Å
58L81Confident74.6Confident110 Ų11091.3 Ų91.358%0.57654%0.543SS*.Hα-helixtrans-66.5-39.5179.8-163.5153.1000112S54 L55 T61 A62S54-L58 WeakPolarHBondContact O-CB 3.15Å; S54-L58 PolarHBondContact O-N 2.97Å; L55-L58 PolarHBondContact O-N 2.83Å; L58-T61 WeakPolarHBondContact CA-OG1 3.44Å; L58-T61 PolarHBondContact O-OG1 2.97Å; L58-T61 VanDerWaalsContact O-OG1 3.08Å; L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.13Å; L58-A62 PolarHBondContact O-N 2.8Å
59V86Confident76.7Confident83 Ų8386.7 Ų86.750%0.50353%0.528SS..Hα-helixtrans-65.1-46.5173.8171.40000111.5L55 L56 T61 A62 C63L55-V59 WeakPolarHBondContact O-CG2 3.3Å; L55-V59 PolarHBondContact O-N 2.79Å; L56-V59 PolarHBondContact O-N 2.98Å; V59-T61 PolarHBondContact O-N 3.42Å; V59-A62 PolarHBondContact O-N 2.91Å; V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 2.72Å
60V87.9Confident78.7Confident95 Ų9587.3 Ų87.358%0.57653%0.528SS*.Hα-helixtrans-62.6-43.1-180169.50000111.5L56 S57 G64L56-V60 HydrophobicContact CD2-CG2 4.29Å; L56-V60 WeakPolarHBondContact O-CG2 3.26Å; L56-V60 PolarHBondContact O-N 3.07Å; S57-V60 PolarHBondContact O-N 2.91Å; V60-G64 PolarHBondContact O-N 2.99Å
61T85.1Confident80.5Confident77 Ų7786.3 Ų86.347%0.47253%0.528SS..Hα-helixtrans-67.6-41.3177.748.50000112.4S57 L58 V59 G64 L65S57-T61 WeakPolarHBondContact O-CB 3.24Å; S57-T61 WeakPolarHBondContact O-CG2 3.49Å; S57-T61 PolarHBondContact O-N 2.87Å; S57-T61 PolarHBondContact O-OG1 2.57Å; L58-T61 WeakPolarHBondContact CA-OG1 3.44Å; L58-T61 PolarHBondContact O-OG1 2.97Å; L58-T61 VanDerWaalsContact O-OG1 3.08Å; V59-T61 PolarHBondContact O-N 3.42Å; T61-G64 PolarHBondContact O-N 3.27Å; T61-L65 WeakPolarHBondContact O-CG 3.37Å; T61-L65 PolarHBondContact O-N 3.26Å
62A87.8Confident82Confident53 Ų5386 Ų8644%0.43853%0.527SS..Hα-helixtrans-61.3-46.3174.800000112.4L58 V59 L65 A66L58-A62 VanDerWaalsContact O-CB 3.28Å; L58-A62 WeakPolarHBondContact O-CB 3.13Å; L58-A62 PolarHBondContact O-N 2.8Å; V59-A62 PolarHBondContact O-N 2.91Å; A62-L65 PolarHBondContact O-N 2.9Å; A62-A66 PolarHBondContact O-N 3.17Å
63C90.6Very high83.5Confident72 Ų7289.1 Ų89.149%0.48653%0.532SS..Hα-helixtrans-63.7-40.3175.3-73.90000112.4V59 A66 L67V59-C63 WeakPolarHBondContact O-CB 3.4Å; V59-C63 PolarHBondContact O-N 2.72Å; C63-A66 PolarHBondContact O-N 3.12Å; C63-L67 WeakPolarHBondContact O-CG 3.38Å; C63-L67 PolarHBondContact O-N 2.86Å
64G90.7Very high84.7Confident38 Ų3888 Ų8839%0.39253%0.525SS..Hα-helixtrans-60.3-45.8176.200000112.9V60 T61 L67 F68V60-G64 PolarHBondContact O-N 2.99Å; T61-G64 PolarHBondContact O-N 3.27Å; G64-L67 PolarHBondContact O-N 3.3Å; G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 3.35Å
65L91.3Very high85.5Confident124 Ų12486.9 Ų86.965%0.64952%0.517SS*.Hα-helixtrans-65.4-39176.8-69.9172.5000112.4T61 A62 F68 G69T61-L65 WeakPolarHBondContact O-CG 3.37Å; T61-L65 PolarHBondContact O-N 3.26Å; A62-L65 PolarHBondContact O-N 2.9Å; L65-F68 PolarHBondContact O-N 2.72Å; L65-G69 PolarHBondContact O-N 3.31Å
66A89.4Confident86.1Confident61 Ų6190 Ų9050%0.50452%0.521SS..Hα-helixtrans-63-46.5175.900000112A62 C63 F68 G69 V70A62-A66 PolarHBondContact O-N 3.17Å; C63-A66 PolarHBondContact O-N 3.12Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 2.06Å; A66-G69 PolarHBondContact O-N 3.21Å; A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.91Å
67L91.4Very high86.6Confident126 Ų12690.5 Ų90.566%0.6652%0.518SS*.Hα-helixtrans-64.2-37.9176.6-70.1171.5000112.1C63 G64 V70 S71C63-L67 WeakPolarHBondContact O-CG 3.38Å; C63-L67 PolarHBondContact O-N 2.86Å; G64-L67 PolarHBondContact O-N 3.3Å; L67-V70 PolarHBondContact O-N 3.25Å; L67-S71 WeakPolarHBondContact O-CB 3.34Å; L67-S71 PolarHBondContact O-N 2.91Å
68F90.1Very high86.4Confident129 Ų12992.2 Ų92.257%0.56652%0.522SS*.Hα-helixtrans-63.9-42.2174-171.9-110.5000111.9G64 L65 A66 S71 L72G64-F68 WeakPolarHBondContact O-CB 3.4Å; G64-F68 PolarHBondContact O-N 3.35Å; L65-F68 PolarHBondContact O-N 2.72Å; A66-F68 VanDerWaalsContact C-N 3.34Å; A66-F68 PolarHBondContact O-N 2.06Å; F68-S71 PolarHBondContact O-N 2.93Å; F68-L72 HydrophobicContact CD1-CD1 3.88Å; F68-L72 HydrophobicContact CD1-CG 4.42Å; F68-L72 HydrophobicContact CE1-CD1 3.51Å; F68-L72 HydrophobicContact CE1-CG 4.16Å; F68-L72 HydrophobicContact CZ-CD1 4.02Å; F68-L72 HydrophobicContact CZ-CD2 4.41Å; F68-L72 HydrophobicContact CZ-CG 4.27Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 3.34Å
69G90.3Very high85.7Confident39 Ų3991.6 Ų91.640%0.40253%0.525SS..Hα-helixtrans-60.4-44173.900000113.3L65 A66 L72 F73L65-G69 PolarHBondContact O-N 3.31Å; A66-G69 PolarHBondContact O-N 3.21Å; G69-L72 PolarHBondContact O-N 3.43Å; G69-F73 WeakPolarHBondContact O-CB 3.42Å; G69-F73 PolarHBondContact O-N 2.85Å
70V89.8Confident84.1Confident89 Ų8995.5 Ų95.554%0.53953%0.531SS..Hα-helixtrans-63.8-43174.4174.40000111.2A66 L67 L72 F73 V74A66-V70 WeakPolarHBondContact O-CG2 3.46Å; A66-V70 PolarHBondContact O-N 2.91Å; L67-V70 PolarHBondContact O-N 3.25Å; V70-L72 PolarHBondContact O-N 2.75Å; V70-F73 PolarHBondContact O-N 3.42Å; V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.36Å; V70-V74 PolarHBondContact O-N 3.42Å
71S86.8Confident82.6Confident66 Ų6696.4 Ų96.446%0.46253%0.532SS..Hα-helixtrans-61-43.3177.1-173.90000112.2L67 F68 S75L67-S71 WeakPolarHBondContact O-CB 3.34Å; L67-S71 PolarHBondContact O-N 2.91Å; F68-S71 PolarHBondContact O-N 2.93Å; S71-S75 VanDerWaalsContact O-CB 3.24Å; S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.12Å; S71-S75 PolarHBondContact O-OG 3.4Å
72L89.4Confident80.8Confident95 Ų9597.1 Ų97.150%0.49754%0.537SS..Hα-helixtrans-64.2-41.6173.9-74.7177.5000112.3F68 G69 V70 S75 W76F68-L72 HydrophobicContact CD1-CD1 3.88Å; F68-L72 HydrophobicContact CD1-CG 4.42Å; F68-L72 HydrophobicContact CE1-CD1 3.51Å; F68-L72 HydrophobicContact CE1-CG 4.16Å; F68-L72 HydrophobicContact CZ-CD1 4.02Å; F68-L72 HydrophobicContact CZ-CD2 4.41Å; F68-L72 HydrophobicContact CZ-CG 4.27Å; F68-L72 WeakPolarHBondContact O-CG 3.37Å; F68-L72 PolarHBondContact O-N 3.34Å; G69-L72 PolarHBondContact O-N 3.43Å; V70-L72 PolarHBondContact O-N 2.75Å; L72-S75 PolarHBondContact O-N 3.45Å; L72-W76 WeakPolarHBondContact O-CB 3.33Å; L72-W76 PolarHBondContact O-N 2.94Å
73F85.4Confident79Confident140 Ų140105.5 Ų105.561%0.61456%0.558SS**Hα-helixtrans-65.5-42.5177.9-175.7-99.1000112.3G69 V70 K77G69-F73 WeakPolarHBondContact O-CB 3.42Å; G69-F73 PolarHBondContact O-N 2.85Å; V70-F73 PolarHBondContact O-N 3.42Å; F73-K77 HydrophobicContact CE1-CG 4.4Å; F73-K77 WeakPolarHBondContact O-CB 3.32Å; F73-K77 PolarHBondContact O-N 3.31Å
74V85.6Confident76.9Confident71 Ų71112.4 Ų112.443%0.4357%0.574SS.*Hα-helixtrans-65.4-43.8174.6171.80000110.7V70 K77 L78V70-V74 HydrophobicContact CG1-CG2 4.37Å; V70-V74 WeakPolarHBondContact O-CG2 3.36Å; V70-V74 PolarHBondContact O-N 3.42Å; V74-K77 WeakPolarHBondContact O-CB 3.15Å; V74-K77 PolarHBondContact O-N 3.19Å; V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.32Å; V74-L78 WeakPolarHBondContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.25Å
75S84.1Confident74.9Confident55 Ų55118.7 Ų118.739%0.38559%0.593SS.*Hα-helixtrans-61.9-44.4176.9-60.60000111.9S71 L72 K77 L78 C79S71-S75 VanDerWaalsContact O-CB 3.24Å; S71-S75 WeakPolarHBondContact O-CB 3.48Å; S71-S75 PolarHBondContact O-N 3.12Å; S71-S75 PolarHBondContact O-OG 3.4Å; L72-S75 PolarHBondContact O-N 3.45Å; S75-K77 PolarHBondContact O-N 2.88Å; S75-L78 PolarHBondContact O-N 2.79Å; S75-C79 WeakPolarHBondContact O-CB 3.39Å; S75-C79 PolarHBondContact O-N 3.28Å; S75-C79 PolarHBondContact O-SG 3.26Å; S75-C79 VanDerWaalsContact O-SG 3.37Å
76W80Confident72.7Confident172 Ų172124.5 Ų124.565%0.65261%0.606SS**Hα-helixtrans-56.5-50.7171.5-175.4-58.8000110.6L72 L78 C79 W80L72-W76 WeakPolarHBondContact O-CB 3.33Å; L72-W76 PolarHBondContact O-N 2.94Å; W76-L78 VanDerWaalsContact C-N 3.33Å; W76-L78 PolarHBondContact O-N 2.94Å; W76-C79 PolarHBondContact O-N 2.91Å; W76-W80 AromaticContact CD1-CE3 3.88Å; W76-W80 AromaticContact CE2-CE3 3.86Å; W76-W80 AromaticContact CE2-CZ3 3.74Å; W76-W80 HydrophobicContact CZ2-CE3 4.28Å; W76-W80 HydrophobicContact CZ2-CH2 4.44Å; W76-W80 AromaticContact CZ2-CZ3 3.68Å; W76-W80 HydrophobicContact CZ2-CZ3 3.68Å; W76-W80 AromaticContact NE1-CE3 3.22Å; W76-W80 AromaticContact NE1-CZ3 3.52Å; W76-W80 WeakPolarHBondContact O-CB 3.47Å; W76-W80 PolarHBondContact O-N 2.94Å
77K79.5Confident70.4Confident132 Ų132125.2 Ų125.257%0.57462%0.619SS**Hα-helixtrans-58.4-41.2179.5-103.2-75.9-174.7170.30113F73 V74 S75 I81F73-K77 HydrophobicContact CE1-CG 4.4Å; F73-K77 WeakPolarHBondContact O-CB 3.32Å; F73-K77 PolarHBondContact O-N 3.31Å; V74-K77 WeakPolarHBondContact O-CB 3.15Å; V74-K77 PolarHBondContact O-N 3.19Å; S75-K77 PolarHBondContact O-N 2.88Å; K77-I81 WeakPolarHBondContact O-CD1 3.15Å; K77-I81 WeakPolarHBondContact O-CG1 3.44Å
78L71.9Confident67.9Low110 Ų110127.5 Ų127.558%0.57663%0.631SS**Hα-helixtrans-74-44.3179.7-69.5172.6000112V74 S75 W76 W80 I81 P82V74-L78 HydrophobicContact CG1-CD1 3.81Å; V74-L78 HydrophobicContact CG1-CG 4.32Å; V74-L78 WeakPolarHBondContact O-CB 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.32Å; V74-L78 PolarHBondContact O-N 3.25Å; S75-L78 PolarHBondContact O-N 2.79Å; W76-L78 VanDerWaalsContact C-N 3.33Å; W76-L78 PolarHBondContact O-N 2.94Å; L78-W80 VanDerWaalsContact C-N 3.25Å; L78-W80 PolarHBondContact O-N 2.81Å; L78-I81 PolarHBondContact O-N 2.66Å; L78-P82 WeakPolarHBondContact O-CD 3.48Å
79C66.8Low65.2Low97 Ų97126.8 Ų126.866%0.65564%0.643SS**Hα-helixtrans-67.8-21.8177.7-69.80000113.7S75 W76S75-C79 WeakPolarHBondContact O-CB 3.39Å; S75-C79 PolarHBondContact O-N 3.28Å; S75-C79 PolarHBondContact O-SG 3.26Å; S75-C79 VanDerWaalsContact O-SG 3.37Å; W76-C79 PolarHBondContact O-N 2.91Å
80W52.9Low62.6Low165 Ų165130.7 Ų130.763%0.62566%0.661SS**THydrogen-bonded Turntrans-77.7-21.1178.1-154.7-80.4000114W76 L78W76-W80 AromaticContact CD1-CE3 3.88Å; W76-W80 AromaticContact CE2-CE3 3.86Å; W76-W80 AromaticContact CE2-CZ3 3.74Å; W76-W80 HydrophobicContact CZ2-CE3 4.28Å; W76-W80 HydrophobicContact CZ2-CH2 4.44Å; W76-W80 AromaticContact CZ2-CZ3 3.68Å; W76-W80 HydrophobicContact CZ2-CZ3 3.68Å; W76-W80 AromaticContact NE1-CE3 3.22Å; W76-W80 AromaticContact NE1-CZ3 3.52Å; W76-W80 WeakPolarHBondContact O-CB 3.47Å; W76-W80 PolarHBondContact O-N 2.94Å; L78-W80 VanDerWaalsContact C-N 3.25Å; L78-W80 PolarHBondContact O-N 2.81Å
81I56.1Low59.8Low114 Ų114132.4 Ų132.459%0.58567%0.671SS**G310 helixtrans-70.9-43.7-173.4-70.6163.5000113.4K77 L78 W83K77-I81 WeakPolarHBondContact O-CD1 3.15Å; K77-I81 WeakPolarHBondContact O-CG1 3.44Å; L78-I81 PolarHBondContact O-N 2.66Å; I81-W83 VanDerWaalsContact C-N 3.26Å; I81-W83 PolarHBondContact O-N 3.07Å
82P47.5Very low57Low91 Ų91134.7 Ų134.759%0.59168%0.683SS**G310 helixtrans-67.8-15.6-175.3-23.935.1000116.3L78L78-P82 WeakPolarHBondContact O-CD 3.48Å
83W49.4Very low54.2Low230 Ų230139.2 Ų139.287%0.87170%0.698SS**G310 helixtrans-97.9-0.8-170.9-88.670.7000115.2I81I81-W83 VanDerWaalsContact C-N 3.26Å; I81-W83 PolarHBondContact O-N 3.07Å
84R47.1Very low51.5Low217 Ų217140.7 Ų140.782%0.81971%0.707SS**SBendtrans-92.5-3.8-179.8-147175-171.2-1122.5114.9
85E47.9Very low48.8Very low170 Ų170142.1 Ų142.179%0.79473%0.726SS**SBendtrans-121.735.7-171.8-70.2-64.4159.700113.6
86R46.2Very low46.2Very low245 Ų245148.1 Ų148.193%0.92575%0.748SS**  trans-139.978.9168.4-72.9-165.2177.9-176.10.8111.7
87G41.2Very low43.6Very low76 Ų76143 Ų14378%0.78475%0.749SS**  trans-158.631.9-173.900000116.3
88L37Very low41.3Very low175 Ų175145.2 Ų145.292%0.91676%0.761SS**  trans-154.2129168.3-104.1169000110.2
89S34.5Very low39.4Very low114 Ų114147.3 Ų147.380%0.79777%0.771SS**  trans-113.5118.5-177.556.20000111.7
90P35.8Very low37.5Very low121 Ų121149.8 Ų149.879%0.78678%0.778SS**  trans-94.5123.6172.733.5-29.4000112.2
91T29.7Very low37.3Very low124 Ų124147.1 Ų147.176%0.76178%0.782SS**  trans-66.5153.4144.247.40000108.2
92T29Very low36Very low115 Ų115147.3 Ų147.371%0.70679%0.789SS**  cis-163.3168.917.9-12.90000111.6
93K30.3Very low35.2Very low189 Ų189151.8 Ų151.882%0.82280%0.804SS**  trans83150.8148-77.2171.8-178-175.80120.6
94E29.5Very low34.3Very low172 Ų172146.1 Ų146.180%0.80480%0.799SS**  trans-86.8174-171.3-56.7144.912000112.5
95A28.5Very low34.2Very low100 Ų100140.7 Ų140.783%0.82679%0.792SS**  trans-122.8127.5162.500000109.8
96Q29Very low33.6Very low182 Ų182140.4 Ų140.485%0.8580%0.795SS**  trans-74.4162.6179.7-117.386.114.700113.2
97G26Very low33.8Very low65 Ų65134.1 Ų134.167%0.6779%0.786SS**  trans-162104.4150.600000112.5
98H30.1Very low33.4Very low177 Ų177134.6 Ų134.682%0.81978%0.783SS**  174.4130.5128.1-104.6-88.3000113.6
99I32.9Very low33.1Very low154 Ų154134.8 Ų134.879%0.7978%0.779SS**  trans81139.3151-56.5163.3000119.4
100N27.3Very low32.9Very low149 Ų149134.4 Ų134.480%0.79778%0.776SS**  trans-94.3-170.7-174.2-81-23.1000112.6
101P48.7Very low32.7Very low110 Ų110133 Ų13371%0.71478%0.775SS**  cis-133.4179-16.622.21.6000115.2
102T28.8Very low33.4Very low118 Ų118132.6 Ų132.672%0.72478%0.775SS**  132.5133.1125.1-49.40000117.2
103M30.8Very low33.4Very low184 Ų184136.7 Ų136.791%0.90678%0.783SS**  trans78.7136.9159.6-90.7172.8170.700122.9
104S29.4Very low33.5Very low111 Ų111136.3 Ų136.378%0.77678%0.784SS**  trans-98.5-172.2178.2-40.20000109.8
105P46.7Very low34.4Very low104 Ų104133.5 Ų133.568%0.67578%0.781SS**  cis-147.2149.41239.3-17000120.7
106L33.4Very low34.5Very low163 Ų163135.1 Ų135.185%0.85378%0.78SS**  trans64.6174.3137.4-60.2173.1000119.4
107P51.8Low34.6Very low113 Ų113136.6 Ų136.673%0.73478%0.779SS**  -141.4156-6941.9-25.8000117.1
108A31.6Very low34.9Very low87 Ų87140.6 Ų140.672%0.71979%0.791SS**  trans-177122.6147.700000108.6
109Q31.8Very low35.1Very low179 Ų179136.7 Ų136.784%0.83679%0.789SS**  60.7131.373.5-68-170.258.900115.1
110S30.6Very low35.2Very low105 Ų105136.5 Ų136.573%0.73480%0.795SS**  cis-170150.3-26.3340000109.5
111A30.6Very low35.2Very low92 Ų92136.2 Ų136.276%0.7679%0.793SS**  trans-90.2173.2168.200000110
112P44.1Very low36Very low116 Ų116136 Ų13675%0.75379%0.792SS**  -153.4159.157.641.3-19.8000120.1
113K30.3Very low36.9Very low200 Ų200135.7 Ų135.787%0.8779%0.792SS**  trans30.5143.2134.4-55.4-178.5-179.9179.50124.4
114Q31Very low36.8Very low182 Ų182134.7 Ų134.785%0.8579%0.787SS**  trans-34.4174.5148.6-60177.5-28.600116.4
115P50.1Low37Very low113 Ų113136.5 Ų136.573%0.73478%0.783SS**  cis-152.3-161.728.234-6.2000118.9
116V29.3Very low36.2Very low134 Ų134137.9 Ų137.981%0.81278%0.784SS**  trans114.1142.1150.7-172.20000118.2
117Y31.6Very low36Very low212 Ų212141.1 Ų141.183%0.83179%0.786SS**  trans-84.2154.1178.3-89.3-112.8000113.6
118T32.5Very low35Very low149 Ų149147 Ų14791%0.91479%0.793SS**  174.8173.8111.930.10000111.5
119A34.5Very low35Very low95 Ų95152.1 Ų152.179%0.78580%0.799SS**  trans-118.4152.5-165.600000115
120V33.5Very low34.9Very low151 Ų151148 Ų14892%0.91579%0.79SS**  trans-151.6151.4159.9179.40000109.1
121D29.2Very low35Very low143 Ų143147 Ų14777%0.76578%0.783SS**  trans-116.8175.3-174.2-118.5-22.6000112.1
122P63.6Low35.2Very low106 Ų106151.1 Ų151.169%0.68879%0.786SS**  cis-1374.5-21.743.5-29.1000119.3
123P48.5Very low34.5Very low110 Ų110150.7 Ų150.771%0.71479%0.785SS**  -106.3117.3-125.934.7-25.7000120.2
124M29.1Very low34.6Very low164 Ų164145.8 Ų145.881%0.80878%0.776SS**  trans74.5137.2131.8-84.7-67.1170.800125.9
125H32.3Very low34.7Very low148 Ų148143.5 Ų143.569%0.68577%0.774SS**  trans89126.3142.3-98.5-64000124.6
126N30.2Very low33.8Very low133 Ų133142.5 Ų142.571%0.71178%0.775SS**  trans75.4153.1151.3-61.3-33.5000118.1
127R30.2Very low33.9Very low232 Ų232144.1 Ų144.188%0.87577%0.771SS**  cis-146.4143.49.8-149.1171.6-174.2177.90.5113.8
128R30.7Very low33.8Very low236 Ų236141 Ų14189%0.89176%0.764SS**  trans-26.4148.8169.1-61.8171174.7166-2.6118.5
129K30.6Very low34.7Very low195 Ų195139.5 Ų139.585%0.84876%0.757SS**  -136.9-148.2115.8-145.2-167.4177.1-174.90112.1
130S30.2Very low34.7Very low92 Ų92141.2 Ų141.264%0.64376%0.758SS**  trans-169.4-177-158.869.20000109.7
131S33.2Very low35.5Very low85 Ų85139.4 Ų139.459%0.59475%0.749SS**  cis-173.2162.814.418.60000111
132H35Very low35.7Very low177 Ų177139.1 Ų139.182%0.81975%0.752SS**  trans70.2134.7167.9-65.8-73.1000116.9
133C30Very low34.2Very low108 Ų108138.2 Ų138.273%0.7375%0.754SS**  cis-156.8-170.6-0-130.90000109.4
134S31.9Very low33.5Very low96 Ų96138.7 Ų138.767%0.67176%0.76SS**  cis-160.9176.49.8-139.20000114.7
135V33.1Very low33.7Very low134 Ų134137.1 Ų137.181%0.81276%0.759SS**  trans-5.9140.9146.1175.20000117.8
136A31.3Very low33.6Very low92 Ų92136.1 Ų136.176%0.7676%0.763SS**  cis-142.6-16924.500000116.3
137K31.4Very low33.7Very low169 Ų169134.8 Ų134.874%0.73576%0.764SS**  trans-157.3159.7-164.7-99.3178.9162.4-117.70111.6
138E29.8Very low33.8Very low145 Ų145130.5 Ų130.568%0.67876%0.764SS**  cis-152.4-63.3-4.5-144.1156.3-170.700119.1
139P51.4Low33.9Very low118 Ų118128.1 Ų128.177%0.76676%0.763SS**  trans-122.1174.9-135.640.8-29.6000120.7
140T33.8Very low34.2Very low131 Ų131123 Ų12380%0.80476%0.756SS**  trans-61.7172.7172.930.20000115.2
141P50.4Low35.3Very low114 Ų114123.8 Ų123.874%0.7476%0.76SS**  cis-156.2172.739.244.2-21.1000122.4
142V32.7Very low35.3Very low136 Ų136128.9 Ų128.982%0.82478%0.776SS**  trans46.7114.6139-179.40000124.9
143A33.2Very low35.4Very low88 Ų88126.1 Ų126.173%0.72777%0.772SS**  trans41.413613400000127.4
144S33.9Very low36.4Very low120 Ų120126.8 Ų126.884%0.83978%0.775SS**  trans173.9156.4143.2-780000108.7
145V32.1Very low36.7Very low131 Ų131128.1 Ų128.179%0.79478%0.779SS**  cis154.4162.4-12.7151.20000106.2
146V31.3Very low37Very low127 Ų127127.5 Ų127.577%0.7778%0.78SS**  trans85.5131.1-177.3-170.20000115.3
147S31.1Very low38.1Very low104 Ų104128.7 Ų128.773%0.72778%0.781SS**  cis125.7101.9-16.7-60.70000116.5
148V33.8Very low38.7Very low143 Ų143126.3 Ų126.387%0.86778%0.783SS**  trans-160.2133.5152.2-142.40000105.6
149E31.8Very low39.6Very low185 Ų185125.2 Ų125.286%0.86479%0.788SS**  cis93.7125.614.8-156163.5-67.800113.6
150A36.7Very low39Very low87 Ų87125.7 Ų125.772%0.71979%0.788SS**  cis-142.6-136.4-5.100000107.9
151P53.3Low39Very low110 Ų110125.9 Ų125.971%0.71479%0.789SS**  cis-136.3151.7-24.737-17.6000117.8
152M33.2Very low38.3Very low191 Ų191128 Ų12894%0.94179%0.793SS**  trans68.3145.9140.4-68.7-177.2171.100125.2
153T37.6Very low38.2Very low119 Ų119125.9 Ų125.973%0.7379%0.789SS**  trans-136.8174.7174.757.50000110.2
154P51.2Low38.5Very low122 Ų122127.3 Ų127.379%0.79279%0.789SS**  -136.3135.5118.734.9-23.9000112
155V38.7Very low39Very low125 Ų125127.5 Ų127.576%0.75879%0.787SS**  85.9107.654.2173.50000114.4
156S37.6Very low39.1Very low120 Ų120129.5 Ų129.584%0.83979%0.788SS**  trans-167.2157.3149-81.80000110.5
157P55.3Low39.2Very low118 Ų118128.2 Ų128.277%0.76679%0.79SS**  trans-115169.3-148.141.2-34.4000117.6
158P44.9Very low39.2Very low119 Ų119127.5 Ų127.577%0.77379%0.791SS**  trans-102.9-161.7174.647.7-39.5000111.2
159P48.8Very low39.1Very low122 Ų122128.4 Ų128.479%0.79279%0.788SS**  -108.7171.1-124.313.712.2000115.8
160V37.3Very low39.1Very low128 Ų128128.4 Ų128.478%0.77679%0.785SS**  trans-84.5144-177.71770000112.7I162V160-I162 HydrophobicContact CG1-CG1 4.21Å
161V33.6Very low39Very low135 Ų135131.5 Ų131.582%0.81879%0.787SS**  trans-127.1136.5167.2177.70000108.9
162I36.3Very low37.9Very low159 Ų159131.8 Ų131.882%0.81579%0.792SS**  trans-133.3147.3168-64.7-177.2000108.3V160V160-I162 HydrophobicContact CG1-CG1 4.21Å
163A30.9Very low38.1Very low90 Ų90130.9 Ų130.974%0.74479%0.785SS**  trans-108.7-169.8-166.600000114.5
164T38.7Very low38Very low118 Ų118132 Ų13272%0.72479%0.792SS**  trans-77.8178.3-173.151.70000114.2
165P44.9Very low37.2Very low124 Ų124131.5 Ų131.581%0.80579%0.791SS**  -125.1152.687.337.6-31.6000112.2
166E34.1Very low37.2Very low174 Ų174131.5 Ų131.581%0.81379%0.794SS**  cis91.2106.927.4-167.7178.2-157.700116.4
167A33.5Very low36.8Very low99 Ų99133.1 Ų133.182%0.81879%0.793SS**  trans176.5142.3139.200000109.3
168A30.7Very low35.9Very low89 Ų89135 Ų13574%0.73680%0.796SS**  cis-162.2158.3-18.600000109.6
169M32.8Very low35.4Very low163 Ų163134.8 Ų134.880%0.80379%0.794SS**  trans32.1142.8150.1-66.5-168.6-171.800121.5
170K30.8Very low34.7Very low184 Ų184136.7 Ų136.780%0.880%0.797SS**  cis-164.8172.831.2-133.5156.3-170.4167.80113.8
171I33.8Very low34.4Very low152 Ų152137.3 Ų137.378%0.77980%0.795SS**  trans-74142.7-172.6-55.2144.6000114.5
172S32.1Very low34.2Very low116 Ų116135.8 Ų135.881%0.81180%0.797SS**  trans-167.4141.5141.656.30000113.8
173H36.8Very low33.9Very low172 Ų172136.4 Ų136.480%0.79680%0.797SS**  trans-93.4157.9163.8-62.1-118.1000110.2
174T34.2Very low33.9Very low143 Ų143136.5 Ų136.588%0.87779%0.792SS**  165.1154.1118.143.40000112.6
175S35.3Very low33.4Very low111 Ų111139.8 Ų139.878%0.77680%0.796SS**  trans-81.3158.4170.5-47.20000112.4
176P39.6Very low32.6Very low125 Ų125139.3 Ų139.381%0.81279%0.791SS**  trans-93.5141.7165.635.6-30.9000112.7
177D29Very low32.3Very low154 Ų154140.9 Ų140.982%0.82479%0.79SS**  trans-151.6172.3172.2-112.5-40.9000107.5
178I35.3Very low32.1Very low159 Ų159142.2 Ų142.282%0.81578%0.779SS**  trans72.9148.6170.2-63169.9000114.3
179P34.8Very low32Very low114 Ų114145.5 Ų145.574%0.7478%0.784SS**  cis-121.5169.17.318.45.8000117.5
180L33.7Very low31.6Very low162 Ų162140.9 Ų140.985%0.84878%0.778SS**  trans-115.8173.1150.1-98.5171.6000109.9
181D30.9Very low31.5Very low140 Ų140138.7 Ų138.775%0.74978%0.78SS**  trans88.7117.4164.5-69.4-25000121.4
182A30.4Very low31.3Very low104 Ų104139.6 Ų139.686%0.8678%0.781SS**  trans-151.1133.2145.300000108.8
183Q29.3Very low31.2Very low172 Ų172140.5 Ų140.580%0.80478%0.782SS**  trans-111.5149.3-174.7-59.8-177.6-1.200113.6
184S31Very low30.9Very low91 Ų91139.7 Ų139.764%0.63678%0.783SS**  134.1146.6110.272.90000118.1
185K28.6Very low31.3Very low187 Ų187139.3 Ų139.381%0.81378%0.783SS**  trans69.8141.6140.9-80.7166-174.4173.10119.3
186T27.3Very low31.1Very low115 Ų115145 Ų14571%0.70679%0.787SS**  cis-162.2159-5.2-19.90000112
187R29Very low30.6Very low206 Ų206147.1 Ų147.178%0.77779%0.788SS**  trans67.2157.6149.4-90-171.9165.1149.2-2.5119.8
188E28.6Very low30.6Very low128 Ų128147.1 Ų147.160%0.59878%0.783SS**  cis-164.6161.4-19.5-144.9156.4-133.500109.7
189N28Very low30.7Very low158 Ų158150.6 Ų150.685%0.84579%0.786SS**  trans66.3156.2170.7-50.4-44.5000118.2
190G25.4Very low30.3Very low66 Ų66154.3 Ų154.368%0.6879%0.794SS**  cis166.4149-14.200000115.3
191V28.4Very low30.3Very low138 Ų138152.6 Ų152.684%0.83679%0.79SS**  trans83.4135.3157-174.40000121.6
192H30.6Very low30.2Very low170 Ų170152.7 Ų152.779%0.78780%0.796SS**  trans-7.8148.7166.4-56.7-49000122.4
193T29.1Very low30.2Very low136 Ų136156 Ų15683%0.83479%0.794SS**  -167.5157.575.129.70000115.6
194N30.9Very low30.5Very low155 Ų155153.7 Ų153.783%0.82979%0.794SS**  trans-98.4164.2163.1-74.3-28.5000110.1
195P42.7Very low30.5Very low134 Ų134153.2 Ų153.287%0.8780%0.795SS**  -133.8-174.9111.937.8-28.7000114.6
196R29.7Very low31.3Very low231 Ų231150.2 Ų150.287%0.87280%0.795SS**  trans-144.1136.1-161.1151.6-165.4171.4-171.60.1110.1
197M30.5Very low31.5Very low169 Ų169148.1 Ų148.183%0.83380%0.796SS**  trans174.3162.5155.9-101.9164.9157.200109.7
198Q29Very low31.7Very low154 Ų154146 Ų14672%0.7280%0.795SS**  cis-167.5153.6-35.1169.4161.9-34.900108.9
199R36Very low32Very low233 Ų233147 Ų14788%0.87980%0.8SS**  trans-65.8146.3172.4-79.3178.9164.7-170.4-4.5112.1
200Q28Very low32.2Very low191 Ų191146.9 Ų146.989%0.89380%0.796SS**  trans-156.5173.9132.2-126.5164.7-15.300113.6
201T32.7Very low32.4Very low126 Ų126146.5 Ų146.577%0.77379%0.792SS**  trans-136.8147.1-166.3-54.50000109.7
202T29.4Very low32.7Very low143 Ų143149.3 Ų149.388%0.87780%0.796SS**  trans-141.8145160.242.10000111.2
203E30.7Very low32.7Very low174 Ų174145.2 Ų145.281%0.81380%0.8SS**  trans-119.2167.2175.1-146.6-177.7-139.600107.7
204P34.8Very low33Very low123 Ų123144.3 Ų144.380%0.79980%0.799SS**  -149.7169.58438.6-19.8000116.3
205A31.2Very low33.2Very low80 Ų80143.9 Ų143.966%0.66180%0.795SS**  trans-97.9-159.6166.800000110.3
206P44.4Very low32.9Very low124 Ų124148.2 Ų148.281%0.80579%0.794SS**  cis-115.2173.64.441.7-28.9000113.7
207G31.8Very low33.2Very low72 Ų72147.8 Ų147.874%0.74279%0.793SS**  cis-173.1-145.50.500000108
208Q33.3Very low33.3Very low160 Ų160147.5 Ų147.575%0.74879%0.789SS**  cis-153.5164.7-4.8-78.4178.9-110.800109.1
209E34.8Very low33.5Very low151 Ų151148.8 Ų148.871%0.70680%0.797SS**  trans32.1137.3139.7-65170.4-111.900122.3
210M32.7Very low33.1Very low154 Ų154144.8 Ų144.876%0.75979%0.793SS**  cis-167.5154.90.7-174.872.281.300108.3
211G30.7Very low33.3Very low58 Ų58143.6 Ų143.660%0.59879%0.792SS**  cis153.6144.4-11.200000114.1
212Q33Very low33.1Very low197 Ų197143.2 Ų143.292%0.92180%0.795SS**  trans72.4145.7167.5-50.6-168.512.100120.7
213G31Very low33.3Very low84 Ų84143.3 Ų143.387%0.86679%0.79SS**  trans148.383.1166.300000116.1
214S35.6Very low33.5Very low118 Ų118140.4 Ų140.483%0.82579%0.786SS**  trans-123.8137.3172.3177.10000111
215I35.5Very low33.1Very low145 Ų145141 Ų14174%0.74478%0.782SS**  trans-153.7138.7163.5-105.9150.2000111.1R217I215-R217 HydrophobicContact CG2-CG 4.08Å
216R36.1Very low32.9Very low226 Ų226146.6 Ų146.685%0.85379%0.792SS**  trans-109.8132.2176.5176.4-173.9-176.9-172.72.2107.8
217R35.4Very low32.1Very low221 Ų221147.3 Ų147.383%0.83479%0.789SS**  trans-126.4110.7173.4-69.7-168.7-177.4179.82.9112.1I215I215-R217 HydrophobicContact CG2-CG 4.08Å
218H33.7Very low32.2Very low163 Ų163150.6 Ų150.676%0.75580%0.795SS**  trans-75.3157.6145.8-102.6-113.2000108.5
219M32.6Very low32Very low182 Ų182147.3 Ų147.390%0.89780%0.795SS**  trans-128.9157143.5-75-142.9-63.100109.1
220N28.6Very low31.8Very low148 Ų148149.5 Ų149.579%0.79181%0.805SS**  trans-132.7160.4-175.6-159.52.5000109
221L31.3Very low31.5Very low166 Ų166151.3 Ų151.387%0.86981%0.809SS**  trans-79.3148.1-172.6-71.475.7000112.3
222S29.4Very low31.3Very low119 Ų119154.8 Ų154.883%0.83281%0.81SS**  trans-147142.415550.90000110.2
223N32Very low31.1Very low144 Ų144155.2 Ų155.277%0.7780%0.803SS**  trans-102.5153-174.1-144.757.9000110.3
224P35Very low31Very low113 Ų113160.1 Ų160.173%0.73480%0.803SS**  trans-115.8143.9154.935.4-26.4000112
225D27.5Very low30.6Very low135 Ų135161.8 Ų161.872%0.72280%0.803SS**  trans-92.1-157.5176.2-63.1-64.9000112.3
226F26.6Very low30.3Very low199 Ų199160 Ų16087%0.87380%0.803SS**  trans86.8150.3175.1-68.2-104.4000117.4
227N27.8Very low30.2Very low138 Ų138156.4 Ų156.474%0.73880%0.8SS**  cis-168.6151.2-35.9-167.6-8.8000106
228V34.6Very low30Very low142 Ų142152.4 Ų152.486%0.86180%0.801SS**  trans-110.991.9-171.4-177.20000112.1
229A28.7Very low30.1Very low91 Ų91148.5 Ų148.575%0.75280%0.804SS**  trans-166.671.4165.200000115
230Q29.2Very low30.2Very low197 Ų197149.2 Ų149.292%0.92181%0.808SS**  trans-155.393.9155.1-122.1168.2200114.2
231F27Very low30.4Very low192 Ų192145.7 Ų145.784%0.84281%0.807SS**  trans-67.9166.4147.3-81.4-95.3000108.5
232Q27.3Very low30.9Very low130 Ų130146.3 Ų146.361%0.60781%0.81SS**  cis-164.4153.126.2-147.3173.569.800110.6
233R29.2Very low31.1Very low207 Ų207144.3 Ų144.378%0.78181%0.808SS**  trans63.5123.2163.5-40.3178.6-156.1-170.54118.1
234Q28.4Very low31.7Very low186 Ų186146 Ų14687%0.86982%0.816SS**  -165.7117.2102-167.492.74.200108.2
235D27.5Very low32.3Very low153 Ų153144.6 Ų144.682%0.81882%0.822SS**  trans-78.9134.5173.8-69.2-81.8000111.5
236S29Very low32.9Very low107 Ų107149.6 Ų149.675%0.74883%0.831SS**  160160.6129.553.30000113.2
237L32.8Very low33.6Very low152 Ų152147.3 Ų147.380%0.79683%0.827SS**  trans64.666.3165.3-60.5173.6000118.4
238T30.9Very low34.2Very low137 Ų137148.1 Ų148.184%0.8482%0.824SS**  4698.8126.457.50000119.7
239G36.5Very low34.7Very low80 Ų80146.2 Ų146.283%0.82582%0.815SS**  103.636.3103.600000120.7
240M35.1Very low35.4Very low198 Ų198147.7 Ų147.798%0.97581%0.806SS**  trans-143122.1157.9-104.1-169-74.100112.2
241G32.9Very low36Very low74 Ų74145.2 Ų145.276%0.76380%0.798SS**  trans155.2105.1173.700000115.6
242L42.4Very low36.5Very low179 Ų179145.4 Ų145.494%0.93780%0.795SS**  trans42.198.4149-55.7176.9000119.1
243G32.6Very low36.8Very low77 Ų77145.9 Ų145.979%0.79480%0.795SS**  trans-125.8107.7161.800000111.7
244L44.7Very low37.3Very low178 Ų178144.8 Ų144.893%0.93280%0.798SS**  trans-67.7147.5171.6-106.469.2000110.9
245G47.4Very low37.5Very low85 Ų85147.3 Ų147.388%0.87680%0.8SS**  trans76.536.1156.400000117.9
246R40Very low37.7Very low239 Ų239144.4 Ų144.490%0.90279%0.792SS**PPolyproline II helixtrans-91.7119.8166.9-149.7178.2-162.9-155.64111K248R246-K248 PolarHBondContact O-N 2.89Å
247L42.1Very low38.5Very low152 Ų152148 Ų14880%0.79680%0.801SS**PPolyproline II helixtrans-56.6130.6172-71.1165.7000110P249L247-P249 WeakPolarHBondContact O-CD 3.49Å
248K40.2Very low38.6Very low155 Ų155149.3 Ų149.367%0.67480%0.804SS**PPolyproline II helixtrans-82.2116.1174.6-78.2-173.7174.3-177.70109.9R246 E250 L251R246-K248 PolarHBondContact O-N 2.89Å; K248-E250 PolarHBondContact O-N 2.91Å; K248-L251 PolarHBondContact O-N 2.84Å
249P44.9Very low39Very low101 Ų101146.7 Ų146.766%0.65680%0.804SS**G310 helixtrans-63.6-24.6178.4-22.435.2000113.4L247 L251 Y252L247-P249 WeakPolarHBondContact O-CD 3.49Å; P249-L251 PolarHBondContact O-N 2.94Å; P249-L251 VanDerWaalsContact O-N 3.13Å; P249-Y252 PolarHBondContact O-N 2.9Å
250E43.1Very low38.9Very low123 Ų123150 Ų15058%0.57580%0.803SS**G310 helixtrans-59.2-20.9177.5-59.8-57.9135.300114.1K248 Y252 K253K248-E250 PolarHBondContact O-N 2.91Å; E250-Y252 VanDerWaalsContact C-N 3.3Å; E250-K253 IonicContact OE1-NZ 3.85Å; E250-K253 PolarHBondContact OE1-NZ 2.8Å; E250-K253 WeakPolarHBondContact OE2-CD 3.48Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.42Å
251L41.2Very low39.3Very low145 Ų145148.2 Ų148.276%0.75979%0.792SS**G310 helixtrans-80.7-6.4173.6-81164.3000113.9K248 P249K248-L251 PolarHBondContact O-N 2.84Å; P249-L251 PolarHBondContact O-N 2.94Å; P249-L251 VanDerWaalsContact O-N 3.13Å
252Y38.1Very low39.5Very low195 Ų195147.4 Ų147.477%0.76578%0.783SS**G310 helixtrans-118.918.5179.9-74.8-87.9000112.9P249 E250 Q254P249-Y252 PolarHBondContact O-N 2.9Å; E250-Y252 VanDerWaalsContact C-N 3.3Å; Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 2.85Å
253K34.5Very low39.2Very low141 Ų141143.7 Ų143.761%0.61377%0.773SS**  trans-72.788.1168.2-80.5-178.6179.31630110.3E250 R255E250-K253 IonicContact OE1-NZ 3.85Å; E250-K253 PolarHBondContact OE1-NZ 2.8Å; E250-K253 WeakPolarHBondContact OE2-CD 3.48Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 3.25Å; E250-K253 PolarHBondContact OE2-NZ 3.42Å; K253-R255 PolarHBondContact O-N 3.39Å
254Q38.7Very low39.6Very low183 Ų183150.2 Ų150.286%0.85577%0.773SS**  trans-45.3109.8159.3176.9175.6-23.900108.6Y252 S256Y252-Q254 VanDerWaalsContact C-N 3.3Å; Y252-Q254 PolarHBondContact O-N 2.85Å; Q254-S256 PolarHBondContact O-N 3.18Å
255R32.8Very low39.4Very low240 Ų240152.8 Ų152.891%0.90677%0.771SS**  trans-70.2101.5-177.1-175.9-179.2-93.6-177.8-7.5108.4K253K253-R255 PolarHBondContact O-N 3.39Å
256S32.9Very low39.1Very low92 Ų92152.6 Ų152.664%0.64377%0.769SS**  trans-60135.4-179.145.10000111.6Q254 E258Q254-S256 PolarHBondContact O-N 3.18Å; S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.82Å
257L44.6Very low39.7Very low181 Ų181145.1 Ų145.195%0.94877%0.766SS**  trans-79.677.9173.4-74.3166.8000110.1
258E34.6Very low41.1Very low180 Ų180140.6 Ų140.684%0.84176%0.756SS**  trans-125.8140.2163-66.6-169.1163.200108.9S256S256-E258 VanDerWaalsContact C-N 3.31Å; S256-E258 PolarHBondContact O-N 2.82Å
259G40.8Very low43.4Very low83 Ų83133.6 Ų133.686%0.85673%0.727SS**  trans-90.1146.3-150.200000116.2
260D32.9Very low45.7Very low148 Ų148129.2 Ų129.279%0.79170%0.7SS**  trans-114.5102157.8-179.434000108.2G262D260-G262 PolarHBondContact O-N 3.23Å
261E43.8Very low48.3Very low162 Ų162127.4 Ų127.476%0.75769%0.688SS**THydrogen-bonded Turntrans-76.258.2174.7-87.5-88.5104.600110R264E261-R264 IonicContact OE1-CZ 2.92Å; E261-R264 IonicContact OE1-NE 2.57Å; E261-R264 PolarHBondContact OE1-NE 3.47Å; E261-R264 IonicContact OE1-NH2 3.14Å; E261-R264 PolarHBondContact OE1-NH2 2.87Å; E261-R264 IonicContact OE2-NH2 2.73Å
262G37.8Very low51Low56 Ų56120.5 Ų120.558%0.57765%0.652SS**THydrogen-bonded Turntrans-122.6-18.6-168.300000116.4D260D260-G262 PolarHBondContact O-N 3.23Å
263S36.4Very low53.8Low102 Ų102113 Ų11371%0.71362%0.623SS**  trans-152.783.4-178.8-165.70000114.8R265S263-R265 PolarHBondContact O-N 2.86Å
264R40.4Very low56.8Low214 Ų214106.4 Ų106.481%0.80860%0.595SS**  trans-90.872.8163.8-64.2-168.7-167-168.77.9111.2E261E261-R264 IonicContact OE1-CZ 2.92Å; E261-R264 IonicContact OE1-NE 2.57Å; E261-R264 PolarHBondContact OE1-NE 3.47Å; E261-R264 IonicContact OE1-NH2 3.14Å; E261-R264 PolarHBondContact OE1-NH2 2.87Å; E261-R264 IonicContact OE2-NH2 2.73Å
265R39.9Very low59.6Low231 Ų23199 Ų9987%0.87256%0.561SS**SBendtrans-125.1128.3154.6-71.3-168.8176.9-149.7-0.6107.9S263S263-R265 PolarHBondContact O-N 2.86Å
266G41.5Very low62.6Low82 Ų8287.6 Ų87.685%0.84552%0.518SS*.  trans-64.3136.6-166.800000113.4G268G266-G268 PolarHBondContact O-N 2.81Å
267G52.4Low65.6Low82 Ų8286.9 Ų86.985%0.84550%0.503SS*.  trans-7588.6170.800000110.9
268G71.7Confident68Low56 Ų5678.6 Ų78.658%0.57746%0.46SS*.  trans-69.3156.3172.100000112.2G266 G270G266-G268 PolarHBondContact O-N 2.81Å; G268-G270 PolarHBondContact O-N 3.12Å; G268-G270 VanDerWaalsContact O-N 3.13Å
269C88.8Confident70.8Confident9 Ų971.6 Ų71.66%0.06143%0.428CS..  trans-87.833.4-176.7-62.10000113.5L295 P296 I367 I391 Y393C269-L295 WeakPolarHBondContact O-CD2 3.5Å; C269-P296 HydrophobicContact CB-CG 4.34Å; C269-I367 HydrophobicContact CB-CG2 4.24Å; C269-I367 WeakPolarHBondContact CB-O 3.36Å; C269-I367 PolarHBondContact SG-O 3.02Å; C269-I391 HydrophobicContact CB-CB 4.16Å; C269-I391 HydrophobicContact CB-CG2 3.88Å; C269-I391 WeakPolarHBondContact CB-O 3.25Å; C269-I391 PolarHBondContact N-O 3.45Å; C269-I391 WeakPolarHBondContact O-CD1 3.35Å; C269-Y393 VanDerWaalsContact SG-CB 3.54Å; C269-Y393 VanDerWaalsContact SG-CD2 3.53Å
270G93.5Very high73.1Confident9 Ų970.1 Ų70.19%0.09340%0.404CS..  trans84-166.7-173.500000114.1G268 E293 D294 I391G268-G270 PolarHBondContact O-N 3.12Å; G268-G270 VanDerWaalsContact O-N 3.13Å; G270-E293 CarbonylContact C-O 3.55Å; G270-E293 WeakPolarHBondContact CA-O 3.31Å; G270-D294 WeakPolarHBondContact CA-O 3.07Å; G270-D294 PolarHBondContact N-O 3.27Å; G270-I391 PolarHBondContact O-N 2.89Å
271R96.4Very high75.9Confident85 Ų8567 Ų6732%0.32139%0.387SS..EExtended strand (participates in β ladder)trans-128.6139.9-179.7-62.4-177.7-64-81.7-10.6111A292 E293 D294 R389 E390R271-A292 CarbonylContact O-C 3.6Å; R271-A292 VanDerWaalsContact O-CA 3.23Å; R271-A292 WeakPolarHBondContact O-CA 3.49Å; R271-E293 IonicContact CZ-OE2 3.41Å; R271-E293 PolarHBondContact N-O 2.64Å; R271-E293 IonicContact NE-OE2 2.66Å; R271-E293 PolarHBondContact NE-OE2 2.78Å; R271-E293 IonicContact NH2-OE2 2.62Å; R271-E293 PolarHBondContact NH2-OE2 3.03Å; R271-E293 PolarHBondContact O-N 2.99Å; R271-D294 IonicContact CZ-OD2 2.64Å; R271-D294 VanDerWaalsContact CZ-OD2 3.25Å; R271-D294 IonicContact NH1-OD2 3.95Å; R271-D294 PolarHBondContact NH1-OD2 3.46Å; R271-D294 IonicContact NH2-OD2 3.83Å; R271-D294 PolarHBondContact NH2-OD2 3.49Å; R271-R389 CarbonylContact C-O 3.52Å; R271-R389 WeakPolarHBondContact CA-O 3.42Å; R271-E390 HydrophobicContact CG-CG 4.44Å
272L97.6Very high78.2Confident0 Ų064.6 Ų64.60%038%0.379CS..EExtended strand (participates in β ladder)trans-103.3127.7171.9-170.965.7000110.2F274 I289 A292 V308 F353 V370 C388 R389 I391L272-F274 HydrophobicContact CB-CD1 4.45Å; L272-F274 HydrophobicContact CD2-CD1 4.18Å; L272-F274 HydrophobicContact CG-CD1 4Å; L272-I289 HydrophobicContact CD1-CG2 4.23Å; L272-A292 HydrophobicContact CD1-CB 4.07Å; L272-V308 HydrophobicContact CD1-CG2 4.21Å; L272-F353 HydrophobicContact CD2-CB 3.88Å; L272-F353 HydrophobicContact CD2-CD1 4.22Å; L272-F353 HydrophobicContact CD2-CD2 4.12Å; L272-F353 HydrophobicContact CD2-CG 3.83Å; L272-V370 HydrophobicContact CB-CG2 4.17Å; L272-V370 HydrophobicContact CD2-CG2 4.4Å; L272-C388 WeakPolarHBondContact O-CA 3.49Å; L272-R389 PolarHBondContact N-O 3.25Å; L272-R389 PolarHBondContact O-N 2.82Å; L272-I391 HydrophobicContact CB-CD1 4.23Å; L272-I391 HydrophobicContact CB-CG1 4.04Å
273H97.8Very high80.8Confident36 Ų3667 Ų6717%0.16738%0.375CS..EExtended strand (participates in β ladder)trans-107.3122.9174.8-65.679.3000110.2H290 K291 E293 L387 C388H273-H290 PolarHBondContact O-N 2.94Å; H273-K291 WeakPolarHBondContact CA-O 3.27Å; H273-K291 HydrophobicContact CB-CG 3.74Å; H273-K291 WeakPolarHBondContact CB-O 3.47Å; H273-K291 PolarHBondContact N-O 2.89Å; H273-K291 PolarHBondContact O-N 3.12Å; H273-E293 VanDerWaalsContact CE1-CD 3.41Å; H273-E293 IonicContact CE1-OE1 2.72Å; H273-E293 IonicContact CE1-OE2 2.67Å; H273-E293 PolarHBondContact CE1-OE2 2.93Å; H273-E293 IonicContact NE2-OE2 3.27Å; H273-L387 WeakPolarHBondContact CA-O 3.37Å; H273-C388 VanDerWaalsContact CE1-SG 3.5Å; H273-C388 PolarHBondContact NE2-SG 3.16Å
274F97.6Very high83.6Confident3 Ų364.6 Ų64.61%0.01335%0.352CS..EExtended strand (participates in β ladder)trans-148.7164.6-177.158.1-78.9000110.7L272 L276 K288 I289 F353 V370 V372 L387 R389L272-F274 HydrophobicContact CB-CD1 4.45Å; L272-F274 HydrophobicContact CD2-CD1 4.18Å; L272-F274 HydrophobicContact CG-CD1 4Å; F274-L276 HydrophobicContact CD2-CD2 3.95Å; F274-L276 HydrophobicContact CD2-CG 4.19Å; F274-L276 HydrophobicContact CE2-CD1 4.34Å; F274-L276 HydrophobicContact CE2-CD2 4.21Å; F274-L276 HydrophobicContact CE2-CG 4.23Å; F274-K288 CarbonylContact C-O 3.47Å; F274-K288 WeakPolarHBondContact CA-O 3.19Å; F274-K288 VanDerWaalsContact CB-O 3.29Å; F274-K288 WeakPolarHBondContact CB-O 3.48Å; F274-I289 HydrophobicContact CB-CD1 4.13Å; F274-F353 HydrophobicContact CD1-CE2 4.37Å; F274-F353 HydrophobicContact CD1-CZ 4.49Å; F274-F353 AromaticContact CD2-CE2 3.91Å; F274-F353 HydrophobicContact CD2-CE2 3.91Å; F274-F353 AromaticContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CE1-CE2 4.06Å; F274-F353 AromaticContact CE2-CE2 3.53Å; F274-F353 HydrophobicContact CE2-CE2 3.53Å; F274-F353 AromaticContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CG-CE2 4.31Å; F274-F353 HydrophobicContact CG-CZ 4.03Å; F274-F353 HydrophobicContact CZ-CD2 4.49Å; F274-F353 AromaticContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CZ 4.19Å; F274-V370 HydrophobicContact CE1-CG1 4.25Å; F274-V370 HydrophobicContact CZ-CG1 4.38Å; F274-V372 HydrophobicContact CE2-CG2 3.93Å; F274-V372 HydrophobicContact CZ-CG2 3.65Å; F274-L387 HydrophobicContact CD1-CB 4.44Å; F274-L387 HydrophobicContact CD2-CB 4.22Å; F274-L387 HydrophobicContact CD2-CD1 4.36Å; F274-L387 HydrophobicContact CE1-CB 4.05Å; F274-L387 HydrophobicContact CE2-CB 3.83Å; F274-L387 HydrophobicContact CE2-CD1 3.5Å; F274-L387 VanDerWaalsContact CE2-CD1 3.5Å; F274-L387 HydrophobicContact CE2-CG 4.26Å; F274-L387 HydrophobicContact CZ-CB 3.73Å; F274-L387 HydrophobicContact CZ-CD1 3.8Å; F274-L387 HydrophobicContact CZ-CG 4.43Å; F274-L387 PolarHBondContact N-O 2.88Å; F274-L387 PolarHBondContact O-N 3.31Å; F274-L387 VanDerWaalsContact O-O 3.1Å; F274-R389 HydrophobicContact CE1-CB 4.18Å; F274-R389 HydrophobicContact CE1-CG 3.89Å; F274-R389 HydrophobicContact CZ-CG 3.9Å
275I96.7Very high86.2Confident29 Ų2954.4 Ų54.415%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-128.1131.9-177.7-46.5-176.8000107.9K288 E384 T385 K386I275-K288 HydrophobicContact CB-CB 4.24Å; I275-K288 HydrophobicContact CD1-CD 4.45Å; I275-K288 PolarHBondContact N-O 3.35Å; I275-K288 PolarHBondContact O-N 3.11Å; I275-E384 HydrophobicContact CG2-CG 3.37Å; I275-T385 WeakPolarHBondContact CA-O 3.28Å; I275-T385 WeakPolarHBondContact CG2-O 3.18Å; I275-K386 HydrophobicContact CD1-CG 4.19Å; I275-K386 HydrophobicContact CG1-CG 4.15Å; I275-K386 HydrophobicContact CG2-CG 4.16Å
276L96.2Very high88.9Confident0 Ų045.1 Ų45.10%028%0.282CS..EExtended strand (participates in β ladder)trans-108.4142.7173-54.3-177.1000109.1F274 I286 V287 L351 V372 F375 L378 R383 E384 T385 L387F274-L276 HydrophobicContact CD2-CD2 3.95Å; F274-L276 HydrophobicContact CD2-CG 4.19Å; F274-L276 HydrophobicContact CE2-CD1 4.34Å; F274-L276 HydrophobicContact CE2-CD2 4.21Å; F274-L276 HydrophobicContact CE2-CG 4.23Å; L276-I286 WeakPolarHBondContact CA-O 3.28Å; L276-V287 HydrophobicContact CD2-CB 4.37Å; L276-V287 HydrophobicContact CD2-CG1 4.07Å; L276-V287 HydrophobicContact CD2-CG2 3.97Å; L276-L351 HydrophobicContact CD1-CD2 4.44Å; L276-L351 HydrophobicContact CD2-CD2 3.48Å; L276-L351 VanDerWaalsContact CD2-CD2 3.48Å; L276-V372 HydrophobicContact CD1-CG1 4.42Å; L276-F375 HydrophobicContact CD1-CD1 4.12Å; L276-F375 HydrophobicContact CD1-CE1 4.39Å; L276-L378 HydrophobicContact CD1-CD1 3.94Å; L276-R383 VanDerWaalsContact O-O 3.09Å; L276-E384 CarbonylContact O-C 3.6Å; L276-E384 WeakPolarHBondContact O-CA 3.48Å; L276-T385 PolarHBondContact N-O 2.9Å; L276-T385 PolarHBondContact O-N 2.88Å; L276-L387 HydrophobicContact CD1-CD1 3.78Å; L276-L387 HydrophobicContact CG-CD1 4.22Å
277K95.1Very high91.5Very high76 Ų7641.2 Ų41.233%0.3324%0.241SC..EExtended strand (participates in β ladder)trans-146.1143.7166.1175-168.4167.8-129.80107D279 I286K277-D279 IonicContact NZ-OD2 3.17Å; K277-D279 PolarHBondContact NZ-OD2 3.41Å; K277-I286 HydrophobicContact CB-CB 4.32Å; K277-I286 HydrophobicContact CD-CD1 4.3Å; K277-I286 PolarHBondContact N-O 2.97Å; K277-I286 WeakPolarHBondContact O-CA 3.44Å; K277-I286 WeakPolarHBondContact O-CB 3.5Å; K277-I286 PolarHBondContact O-N 3.23Å
278F95.5Very high93.6Very high8 Ų840.3 Ų40.34%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-103.1144.1165.4-169.4-100.1000110.7C280 Q284 L285 V341 Y343 L346 F381 P382F278-C280 HydrophobicContact CE1-CB 4.46Å; F278-Q284 WeakPolarHBondContact CD2-O 3.18Å; F278-L285 HydrophobicContact CD2-CB 4.15Å; F278-V341 HydrophobicContact CE2-CG1 4.12Å; F278-V341 VanDerWaalsContact CE2-O 3.28Å; F278-V341 WeakPolarHBondContact CE2-O 3.48Å; F278-V341 WeakPolarHBondContact CZ-O 3.46Å; F278-Y343 AromaticContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CE2 4.45Å; F278-Y343 AromaticContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CG 4.2Å; F278-Y343 HydrophobicContact CG-CD2 4.33Å; F278-Y343 HydrophobicContact CZ-CD2 4.31Å; F278-L346 HydrophobicContact CD2-CD1 3.85Å; F278-L346 HydrophobicContact CD2-CD2 4.44Å; F278-L346 HydrophobicContact CE2-CD1 3.99Å; F278-L346 HydrophobicContact CE2-CD2 4.38Å; F278-L346 HydrophobicContact CE2-CG 4.47Å; F278-L346 HydrophobicContact CG-CD1 4.25Å; F278-L346 HydrophobicContact CZ-CD1 4.49Å; F278-F381 HydrophobicContact CB-CE1 4.48Å; F278-F381 HydrophobicContact CB-CE2 4.17Å; F278-F381 HydrophobicContact CB-CZ 3.77Å; F278-P382 HydrophobicContact CB-CB 3.8Å; F278-P382 PolarHBondContact N-O 3.46Å
279D94.4Very high94.9Very high32 Ų3237.6 Ų37.617%0.17119%0.186CC..EExtended strand (participates in β ladder)trans-111.2102.6174.8-153.8-68.8000109.5K277 D281 L282 E283 Q284 I286K277-D279 IonicContact NZ-OD2 3.17Å; K277-D279 PolarHBondContact NZ-OD2 3.41Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å; D279-L282 HydrophobicContact CB-CB 4.39Å; D279-L282 PolarHBondContact OD1-N 2.99Å; D279-E283 WeakPolarHBondContact O-CA 3.14Å; D279-E283 PolarHBondContact O-N 3.33Å; D279-Q284 PolarHBondContact N-O 3.16Å; D279-Q284 PolarHBondContact O-N 3.06Å; D279-I286 HydrophobicContact CB-CD1 4.2Å
280C88.8Confident95.3Very high52 Ų5240.1 Ų40.135%0.35120%0.197SC..THydrogen-bonded Turntrans-70.7-27.4-175.6-52.90000113F278 L282F278-C280 HydrophobicContact CE1-CB 4.46Å; C280-L282 VanDerWaalsContact C-N 3.34Å
281D91.5Very high95.5Very high83 Ų8342.3 Ų42.344%0.44420%0.204SC..THydrogen-bonded Turntrans-80.9-20.6-176.9-63.3-65.5000111.9R39 R43 D279R39-D281 IonicContact CZ-OD1 2.88Å; R39-D281 IonicContact NH2-OD1 2.8Å; R39-D281 PolarHBondContact NH2-OD1 3.18Å; R39-D281 IonicContact NH2-OD2 3.41Å; R39-D281 PolarHBondContact NH2-OD2 3.31Å; R43-D281 PolarHBondContact NH2-O 2.96Å; D279-D281 VanDerWaalsContact C-N 3.32Å; D279-D281 PolarHBondContact O-N 2.97Å; D279-D281 PolarHBondContact OD1-N 3.24Å
282L92Very high95.6Very high111 Ų11138.3 Ų38.358%0.58119%0.189SC*.THydrogen-bonded Turntrans-115.72179.7-62.1178.9000115D279 C280 Q284D279-L282 HydrophobicContact CB-CB 4.39Å; D279-L282 PolarHBondContact OD1-N 2.99Å; C280-L282 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-Q284 PolarHBondContact O-NE2 2.98Å
283E93.4Very high95.5Very high108 Ų10840.2 Ų40.251%0.50520%0.198SC..THydrogen-bonded Turntrans46.753.6-176.1-61.4-16399.300114.4D279 V341 A342D279-E283 WeakPolarHBondContact O-CA 3.14Å; D279-E283 PolarHBondContact O-N 3.33Å; E283-V341 CarbonylContact C-O 3.51Å; E283-V341 CarbonylContact O-C 3.53Å; E283-V341 PolarHBondContact O-N 3.39Å; E283-A342 WeakPolarHBondContact OE1-CB 3.37Å
284Q94.5Very high95.3Very high50 Ų5042.8 Ų42.823%0.23421%0.213CC..EExtended strand (participates in β ladder)trans-135.1130.5-173.8-85.6162.271.400113.7F278 D279 L282 F339 P340F278-Q284 WeakPolarHBondContact CD2-O 3.18Å; D279-Q284 PolarHBondContact N-O 3.16Å; D279-Q284 PolarHBondContact O-N 3.06Å; L282-Q284 PolarHBondContact O-N 3.28Å; L282-Q284 PolarHBondContact O-NE2 2.98Å; Q284-F339 WeakPolarHBondContact CA-O 3.31Å; Q284-P340 HydrophobicContact CG-CB 4.28Å
285L94.7Very high95.2Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-82.7114.4166.2179.967.1000109.2F278 V287 L312 F339 V341 F375 F381F278-L285 HydrophobicContact CD2-CB 4.15Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; L285-V287 HydrophobicContact CG-CG2 4.02Å; L285-L312 HydrophobicContact CD2-CD1 3.94Å; L285-L312 HydrophobicContact CD2-CD2 4.45Å; L285-F339 HydrophobicContact CB-CB 4.35Å; L285-F339 PolarHBondContact N-O 3.44Å; L285-F339 PolarHBondContact O-N 2.8Å; L285-V341 HydrophobicContact CB-CG1 3.84Å; L285-F375 HydrophobicContact CD2-CE1 4.19Å; L285-F375 HydrophobicContact CD2-CZ 4.3Å; L285-F381 HydrophobicContact CD1-CE2 3.97Å; L285-F381 HydrophobicContact CD1-CZ 4.19Å
286I96.1Very high95Very high37 Ų3743.4 Ų43.419%0.1922%0.219CC..EExtended strand (participates in β ladder)trans-92123.2177.2-50.1-171.9000108.5L276 K277 D279 V336 L338L276-I286 WeakPolarHBondContact CA-O 3.28Å; K277-I286 HydrophobicContact CB-CB 4.32Å; K277-I286 HydrophobicContact CD-CD1 4.3Å; K277-I286 PolarHBondContact N-O 2.97Å; K277-I286 WeakPolarHBondContact O-CA 3.44Å; K277-I286 WeakPolarHBondContact O-CB 3.5Å; K277-I286 PolarHBondContact O-N 3.23Å; D279-I286 HydrophobicContact CB-CD1 4.2Å; I286-V336 HydrophobicContact CG2-CG1 3.7Å; I286-L338 HydrophobicContact CB-CD2 4.19Å; I286-L338 HydrophobicContact CD1-CD2 4.21Å; I286-L338 HydrophobicContact CG1-CD2 3.75Å; I286-L338 HydrophobicContact CG2-CD2 3.96Å
287V96.9Very high94.7Very high0 Ų045.8 Ų45.80%024%0.239CC..EExtended strand (participates in β ladder)trans-123.4110-177.7-177.70000108.8L276 L285 I289 F337 F339 L351 F353L276-V287 HydrophobicContact CD2-CB 4.37Å; L276-V287 HydrophobicContact CD2-CG1 4.07Å; L276-V287 HydrophobicContact CD2-CG2 3.97Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; L285-V287 HydrophobicContact CG-CG2 4.02Å; V287-I289 HydrophobicContact CG1-CD1 4.32Å; V287-F337 PolarHBondContact N-O 3.29Å; V287-F337 PolarHBondContact O-N 3.36Å; V287-F339 HydrophobicContact CB-CD2 4.48Å; V287-F339 HydrophobicContact CB-CE2 4.19Å; V287-F339 HydrophobicContact CG2-CD2 3.81Å; V287-F339 HydrophobicContact CG2-CE2 3.83Å; V287-L351 HydrophobicContact CG1-CD2 4.02Å; V287-L351 HydrophobicContact CG2-CD1 4.14Å; V287-L351 HydrophobicContact CG2-CD2 3.77Å; V287-F353 HydrophobicContact CG1-CE1 3.89Å; V287-F353 HydrophobicContact CG1-CZ 4.13Å
288K97.6Very high94.3Very high62 Ų6245.3 Ų45.327%0.2724%0.236SC..EExtended strand (participates in β ladder)trans-101.3118.9172.3-175.9-179.9177.2-1670110.6F274 I275 D334 E335 V336F274-K288 CarbonylContact C-O 3.47Å; F274-K288 WeakPolarHBondContact CA-O 3.19Å; F274-K288 VanDerWaalsContact CB-O 3.29Å; F274-K288 WeakPolarHBondContact CB-O 3.48Å; I275-K288 HydrophobicContact CB-CB 4.24Å; I275-K288 HydrophobicContact CD1-CD 4.45Å; I275-K288 PolarHBondContact N-O 3.35Å; I275-K288 PolarHBondContact O-N 3.11Å; K288-D334 WeakPolarHBondContact CE-OD1 3.49Å; K288-D334 IonicContact NZ-OD1 2.79Å; K288-D334 PolarHBondContact NZ-OD1 2.82Å; K288-E335 CarbonylContact C-O 3.58Å; K288-E335 VanDerWaalsContact CA-O 3.31Å; K288-E335 WeakPolarHBondContact CA-O 3.36Å; K288-V336 HydrophobicContact CB-CG2 4.06Å; K288-V336 HydrophobicContact CD-CG2 4.02Å; K288-V336 HydrophobicContact CG-CG2 3.82Å
289I98.1Very high93.6Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-82116.9166.3-52.2-57.1000107.7L272 F274 V287 V308 I310 T322 F333 D334 E335 F337 F353L272-I289 HydrophobicContact CD1-CG2 4.23Å; F274-I289 HydrophobicContact CB-CD1 4.13Å; V287-I289 HydrophobicContact CG1-CD1 4.32Å; I289-V308 HydrophobicContact CG2-CG2 4.5Å; I289-I310 HydrophobicContact CD1-CD1 3.86Å; I289-I310 HydrophobicContact CG1-CD1 3.67Å; I289-T322 HydrophobicContact CB-CG2 4.26Å; I289-T322 HydrophobicContact CG1-CG2 4.16Å; I289-T322 HydrophobicContact CG2-CG2 4.31Å; I289-F333 HydrophobicContact CB-CB 4.45Å; I289-F333 HydrophobicContact CG2-CB 4.06Å; I289-F333 HydrophobicContact CG2-CD2 3.52Å; I289-F333 HydrophobicContact CG2-CE2 4.2Å; I289-F333 HydrophobicContact CG2-CG 3.99Å; I289-D334 CarbonylContact O-C 3.5Å; I289-D334 VanDerWaalsContact O-CA 3.22Å; I289-D334 WeakPolarHBondContact O-CA 3.46Å; I289-D334 PolarHBondContact O-N 3.34Å; I289-D334 VanDerWaalsContact O-N 3.07Å; I289-E335 PolarHBondContact N-O 2.92Å; I289-E335 PolarHBondContact O-N 3.31Å; I289-F337 HydrophobicContact CG1-CD2 4.24Å; I289-F337 HydrophobicContact CG1-CE2 3.88Å; I289-F353 HydrophobicContact CD1-CD1 3.82Å; I289-F353 HydrophobicContact CD1-CE1 3.47Å; I289-F353 VanDerWaalsContact CD1-CE1 3.47Å; I289-F353 HydrophobicContact CD1-CZ 4.37Å
290H97.5Very high92.7Very high62 Ų6256.5 Ų56.529%0.28729%0.286SS..EExtended strand (participates in β ladder)trans-90.1-64.8-179.6175.843.7000110.8H273 F333 D334H273-H290 PolarHBondContact O-N 2.94Å; H290-F333 PolarHBondContact O-N 3.47Å; H290-D334 IonicContact CE1-OD1 3.79Å; H290-D334 IonicContact CE1-OD2 3.31Å; H290-D334 IonicContact CG-OD1 3.61Å; H290-D334 IonicContact ND1-OD1 2.63Å; H290-D334 PolarHBondContact ND1-OD1 3.39Å; H290-D334 IonicContact ND1-OD2 2.75Å; H290-D334 PolarHBondContact ND1-OD2 3.12Å; H290-D334 PolarHBondContact O-N 2.9Å
291K97.5Very high92.2Very high55 Ų5556.8 Ų56.824%0.23929%0.289CS..EExtended strand (participates in β ladder)trans-153.9163.5-178.662.6175.5171.2165.70112.2H273 E293 P331 V332H273-K291 WeakPolarHBondContact CA-O 3.27Å; H273-K291 HydrophobicContact CB-CG 3.74Å; H273-K291 WeakPolarHBondContact CB-O 3.47Å; H273-K291 PolarHBondContact N-O 2.89Å; H273-K291 PolarHBondContact O-N 3.12Å; K291-E293 HydrophobicContact CD-CG 4.29Å; K291-E293 WeakPolarHBondContact CE-OE1 3.2Å; K291-E293 IonicContact NZ-OE1 3.48Å; K291-E293 PolarHBondContact NZ-OE1 3.17Å; K291-P331 CarbonylContact C-O 3.14Å; K291-P331 WeakPolarHBondContact CA-O 3.26Å; K291-P331 VanDerWaalsContact CB-O 3.3Å; K291-P331 WeakPolarHBondContact CB-O 3.26Å; K291-V332 HydrophobicContact CB-CB 4.41Å; K291-V332 HydrophobicContact CB-CG2 4.07Å
292A97.7Very high91.8Very high1 Ų155.2 Ų55.21%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-116.5157.2158.200000110.4R271 L272 L295 N330 P331 F333R271-A292 CarbonylContact O-C 3.6Å; R271-A292 VanDerWaalsContact O-CA 3.23Å; R271-A292 WeakPolarHBondContact O-CA 3.49Å; L272-A292 HydrophobicContact CD1-CB 4.07Å; A292-L295 HydrophobicContact CB-CD1 4.07Å; A292-L295 HydrophobicContact CB-CD2 3.95Å; A292-L295 HydrophobicContact CB-CG 4.12Å; A292-N330 CarbonylContact O-C 3.52Å; A292-N330 VanDerWaalsContact O-CA 3.31Å; A292-N330 WeakPolarHBondContact O-CA 3.41Å; A292-P331 HydrophobicContact CB-CG 3.89Å; A292-P331 PolarHBondContact N-O 3.41Å; A292-F333 HydrophobicContact CB-CE2 4.23Å
293E96.1Very high91.7Very high39 Ų3951.5 Ų51.518%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-133.4153.6-179.4-64-177.316100111G270 R271 H273 K291 L295 N330G270-E293 CarbonylContact C-O 3.55Å; G270-E293 WeakPolarHBondContact CA-O 3.31Å; R271-E293 IonicContact CZ-OE2 3.41Å; R271-E293 PolarHBondContact N-O 2.64Å; R271-E293 IonicContact NE-OE2 2.66Å; R271-E293 PolarHBondContact NE-OE2 2.78Å; R271-E293 IonicContact NH2-OE2 2.62Å; R271-E293 PolarHBondContact NH2-OE2 3.03Å; R271-E293 PolarHBondContact O-N 2.99Å; H273-E293 VanDerWaalsContact CE1-CD 3.41Å; H273-E293 IonicContact CE1-OE1 2.72Å; H273-E293 IonicContact CE1-OE2 2.67Å; H273-E293 PolarHBondContact CE1-OE2 2.93Å; H273-E293 IonicContact NE2-OE2 3.27Å; K291-E293 HydrophobicContact CD-CG 4.29Å; K291-E293 WeakPolarHBondContact CE-OE1 3.2Å; K291-E293 IonicContact NZ-OE1 3.48Å; K291-E293 PolarHBondContact NZ-OE1 3.17Å; E293-L295 PolarHBondContact O-N 3.49Å; E293-L295 VanDerWaalsContact O-N 3.16Å; E293-N330 VanDerWaalsContact CA-OD1 3.24Å; E293-N330 WeakPolarHBondContact CA-OD1 3.26Å
294D94.1Very high91.7Very high90 Ų9046.4 Ų46.448%0.48125%0.251SS..SBendtrans54.332.5171.3-56.4-41.5000114.1G270 R271 L329 N330G270-D294 WeakPolarHBondContact CA-O 3.07Å; G270-D294 PolarHBondContact N-O 3.27Å; R271-D294 IonicContact CZ-OD2 2.64Å; R271-D294 VanDerWaalsContact CZ-OD2 3.25Å; R271-D294 IonicContact NH1-OD2 3.95Å; R271-D294 PolarHBondContact NH1-OD2 3.46Å; R271-D294 IonicContact NH2-OD2 3.83Å; R271-D294 PolarHBondContact NH2-OD2 3.49Å; D294-L329 PolarHBondContact N-O 3.41Å; D294-N330 PolarHBondContact N-OD1 2.92Å
295L94.9Very high91.7Very high5 Ų544.5 Ų44.53%0.02624%0.242CC..PPolyproline II helixtrans-65.1147179-60.9-176.7000111.5C269 A292 E293 P306 L329 P331 V355 I367 I391C269-L295 WeakPolarHBondContact O-CD2 3.5Å; A292-L295 HydrophobicContact CB-CD1 4.07Å; A292-L295 HydrophobicContact CB-CD2 3.95Å; A292-L295 HydrophobicContact CB-CG 4.12Å; E293-L295 PolarHBondContact O-N 3.49Å; E293-L295 VanDerWaalsContact O-N 3.16Å; L295-P306 HydrophobicContact CD1-CB 3.65Å; L295-P306 HydrophobicContact CD1-CG 3.93Å; L295-L329 HydrophobicContact CB-CB 4.37Å; L295-L329 WeakPolarHBondContact CB-O 3.39Å; L295-L329 WeakPolarHBondContact CG-O 3.44Å; L295-L329 PolarHBondContact N-O 2.73Å; L295-L329 WeakPolarHBondContact O-CB 3.27Å; L295-L329 WeakPolarHBondContact O-CD2 3.06Å; L295-P331 HydrophobicContact CD1-CG 3.93Å; L295-V355 HydrophobicContact CD1-CG1 4.48Å; L295-V355 HydrophobicContact CD2-CG1 4.38Å; L295-I367 HydrophobicContact CD1-CD1 4.48Å; L295-I367 HydrophobicContact CD2-CG2 4.22Å; L295-I391 HydrophobicContact CD2-CD1 3.38Å
296P92Very high91.8Very high41 Ų4144.5 Ų44.527%0.26624%0.242SC..PPolyproline II helixtrans-68.6140.9172.329.1-34.9000111.3C269 S304 I367C269-P296 HydrophobicContact CB-CG 4.34Å; P296-S304 PolarHBondContact O-OG 3.01Å; P296-I367 HydrophobicContact CG-CG2 3.76Å
297A90.2Very high91.9Very high50 Ų5042.8 Ų42.841%0.41323%0.233SC..PPolyproline II helixtrans-68.3128.4165.100000110T303 S304 L329A297-T303 WeakPolarHBondContact CA-O 3.26Å; A297-S304 WeakPolarHBondContact CA-OG 3.13Å; A297-L329 HydrophobicContact CB-CD1 4.34Å; A297-L329 HydrophobicContact CB-CD2 4.22Å
298K86.5Confident91.9Very high65 Ų6542.8 Ų42.828%0.28323%0.233SC..  trans-115.4-33.1177.6-72.9-58.5-159.3115.50111.8T303 S304 D357 D365 I366 I367K298-T303 PolarHBondContact N-O 3.34Å; K298-T303 VanDerWaalsContact N-O 3.17Å; K298-S304 PolarHBondContact N-OG 3.1Å; K298-S304 VanDerWaalsContact N-OG 3.07Å; K298-D357 HydrophobicContact CB-CB 4.07Å; K298-D357 WeakPolarHBondContact CB-OD2 3.29Å; K298-D357 HydrophobicContact CG-CB 4.34Å; K298-D365 WeakPolarHBondContact CD-OD2 3.44Å; K298-D365 IonicContact NZ-OD2 2.6Å; K298-D365 PolarHBondContact NZ-OD2 2.99Å; K298-I366 WeakPolarHBondContact CE-O 3.47Å; K298-I366 PolarHBondContact NZ-O 2.86Å; K298-I367 HydrophobicContact CG-CG1 4.08Å
299D81.5Confident91.7Very high52 Ų5242 Ų4228%0.27823%0.23SC..SBendtrans-70.9142.4178.5-159.517000111.2S301 G302 T303D299-S301 WeakPolarHBondContact CB-OG 3.35Å; D299-S301 VanDerWaalsContact CG-OG 3.26Å; D299-S301 PolarHBondContact O-N 3.47Å; D299-S301 VanDerWaalsContact OD2-CB 3.31Å; D299-S301 WeakPolarHBondContact OD2-CB 3.36Å; D299-S301 PolarHBondContact OD2-OG 3.44Å; D299-G302 PolarHBondContact O-N 2.9Å; D299-T303 WeakPolarHBondContact CB-O 3.36Å; D299-T303 PolarHBondContact N-O 3.03Å; D299-T303 VanDerWaalsContact N-O 3.12Å
300F75.9Confident91.5Very high223 Ų22342 Ų4298%0.97823%0.23SC*.THydrogen-bonded Turntrans-60-9.2173.3-63.5-80.9000113.3G302F300-G302 VanDerWaalsContact C-N 3.27Å
301S78.4Confident91.1Very high59 Ų5941.2 Ų41.241%0.41323%0.225SC..THydrogen-bonded Turntrans-74.2-11.217473.50000114.2D299 T303D299-S301 WeakPolarHBondContact CB-OG 3.35Å; D299-S301 VanDerWaalsContact CG-OG 3.26Å; D299-S301 PolarHBondContact O-N 3.47Å; D299-S301 VanDerWaalsContact OD2-CB 3.31Å; D299-S301 WeakPolarHBondContact OD2-CB 3.36Å; D299-S301 PolarHBondContact OD2-OG 3.44Å; S301-T303 VanDerWaalsContact C-N 3.3Å; S301-T303 PolarHBondContact OG-N 2.94Å; S301-T303 PolarHBondContact OG-OG1 3.12Å
302G82.9Confident90.6Very high50 Ų5038.7 Ų38.752%0.51521%0.214SC..SBendtrans77.915.6-170.300000113.5D299 F300D299-G302 PolarHBondContact O-N 2.9Å; F300-G302 VanDerWaalsContact C-N 3.27Å
303T90.1Very high89.9Confident33 Ų3340.5 Ų40.520%0.20222%0.223CC..SBendtrans-131.4-159.7173.162.10000110A297 K298 D299 S301 K327A297-T303 WeakPolarHBondContact CA-O 3.26Å; K298-T303 PolarHBondContact N-O 3.34Å; K298-T303 VanDerWaalsContact N-O 3.17Å; D299-T303 WeakPolarHBondContact CB-O 3.36Å; D299-T303 PolarHBondContact N-O 3.03Å; D299-T303 VanDerWaalsContact N-O 3.12Å; S301-T303 VanDerWaalsContact C-N 3.3Å; S301-T303 PolarHBondContact OG-N 2.94Å; S301-T303 PolarHBondContact OG-OG1 3.12Å; T303-K327 WeakPolarHBondContact OG1-CA 3.39Å; T303-K327 WeakPolarHBondContact OG1-CB 3.42Å
304S93.3Very high88.7Confident0 Ų043.4 Ų43.40%025%0.246CC..  trans-147.6159.7170.5-57.80000107.7P296 A297 K298 P306 K327 T328P296-S304 PolarHBondContact O-OG 3.01Å; A297-S304 WeakPolarHBondContact CA-OG 3.13Å; K298-S304 PolarHBondContact N-OG 3.1Å; K298-S304 VanDerWaalsContact N-OG 3.07Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; S304-K327 CarbonylContact O-C 3.47Å; S304-K327 WeakPolarHBondContact O-CA 3.44Å; S304-K327 PolarHBondContact O-N 3.09Å; S304-K327 VanDerWaalsContact O-N 3.07Å; S304-T328 PolarHBondContact O-N 3.32Å
305D94.6Very high87.7Confident10 Ų1041.5 Ų41.55%0.05324%0.235CC..  trans-103.266.4167.4-77.7-2.9000110.3V324 H325 R326 K327 D357 F358D305-V324 HydrophobicContact CB-CG1 3.98Å; D305-H325 CarbonylContact C-O 3.58Å; D305-H325 WeakPolarHBondContact CA-O 3.25Å; D305-R326 WeakPolarHBondContact OD1-CA 3.25Å; D305-R326 WeakPolarHBondContact OD1-CB 3.13Å; D305-R326 IonicContact OD1-NE 3.04Å; D305-R326 IonicContact OD2-CZ 2.68Å; D305-R326 IonicContact OD2-NE 3.98Å; D305-R326 PolarHBondContact OD2-NE 3.01Å; D305-R326 IonicContact OD2-NH2 2.59Å; D305-R326 PolarHBondContact OD2-NH2 3.1Å; D305-K327 PolarHBondContact OD1-N 3.29Å; D305-D357 WeakPolarHBondContact CA-OD1 3.35Å; D305-D357 PolarHBondContact N-OD1 2.68Å; D305-F358 HydrophobicContact CB-CB 4Å; D305-F358 VanDerWaalsContact O-CB 3.25Å; D305-F358 WeakPolarHBondContact O-CB 3.24Å; D305-F358 PolarHBondContact O-N 3.33Å
306P96.6Very high86.2Confident0 Ų048.6 Ų48.60%026%0.262CS..EExtended strand (participates in β ladder)trans-69.2149.2-167.128.6-39.6000116L295 S304 H325 T328 P331 Y356 I367L295-P306 HydrophobicContact CD1-CB 3.65Å; L295-P306 HydrophobicContact CD1-CG 3.93Å; S304-P306 WeakPolarHBondContact O-CD 3.36Å; P306-H325 WeakPolarHBondContact CD-O 3.45Å; P306-H325 VanDerWaalsContact N-O 3.17Å; P306-H325 PolarHBondContact O-N 3.14Å; P306-T328 WeakPolarHBondContact CD-O 3.4Å; P306-T328 HydrophobicContact CG-CG2 4.04Å; P306-T328 VanDerWaalsContact CG-O 3.31Å; P306-T328 WeakPolarHBondContact CG-O 3.37Å; P306-P331 HydrophobicContact CB-CG 4.16Å; P306-P331 HydrophobicContact CG-CB 3.87Å; P306-P331 HydrophobicContact CG-CG 3.6Å; P306-Y356 CarbonylContact C-O 3.09Å; P306-Y356 VanDerWaalsContact CA-O 3.3Å; P306-Y356 WeakPolarHBondContact CA-O 3.42Å; P306-I367 HydrophobicContact CB-CD1 4.45Å
307Y97.4Very high84.5Confident1 Ų153 Ų530%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-150.8162.2167.674.4-75.9000111.6K309 Q321 T322 K323 V324 Y356 F358 H364Y307-K309 HydrophobicContact CE2-CD 4.36Å; Y307-K309 HydrophobicContact CE2-CG 3.9Å; Y307-K309 WeakPolarHBondContact OH-CE 3.48Å; Y307-K309 PolarHBondContact OH-NZ 3.44Å; Y307-Q321 VanDerWaalsContact CD2-CD 3.46Å; Y307-Q321 HydrophobicContact CD2-CG 3.59Å; Y307-Q321 VanDerWaalsContact CE2-CD 3.48Å; Y307-Q321 HydrophobicContact CE2-CG 3.93Å; Y307-T322 WeakPolarHBondContact CA-OG1 3.43Å; Y307-K323 WeakPolarHBondContact CB-O 3.41Å; Y307-V324 HydrophobicContact CD1-CG2 4.16Å; Y307-V324 HydrophobicContact CG-CG2 4.11Å; Y307-Y356 HydrophobicContact CE1-CG 4.24Å; Y307-Y356 HydrophobicContact CE2-CD2 4.44Å; Y307-Y356 AromaticContact CZ-CG 3.91Å; Y307-Y356 PolarHBondContact N-O 3.21Å; Y307-Y356 PolarHBondContact O-N 3.03Å; Y307-Y356 WeakPolarHBondContact OH-CB 3.25Å; Y307-F358 HydrophobicContact CD1-CB 3.96Å; Y307-F358 HydrophobicContact CE1-CB 4.13Å; Y307-H364 HydrophobicContact CE1-CB 4.36Å; Y307-H364 AromaticContact CE1-ND1 3.64Å; Y307-H364 AromaticContact CZ-ND1 3.47Å; Y307-H364 PolarHBondContact OH-ND1 3.24Å
308V97Very high83.4Confident0 Ų052.8 Ų52.80%027%0.27CS..EExtended strand (participates in β ladder)trans-119.2133.5-177.8-170.30000110.5L272 I289 I310 Q321 T322 F333 F353 S354 V355L272-V308 HydrophobicContact CD1-CG2 4.21Å; I289-V308 HydrophobicContact CG2-CG2 4.5Å; V308-I310 HydrophobicContact CG1-CG1 4.36Å; V308-Q321 VanDerWaalsContact O-CA 3.3Å; V308-Q321 WeakPolarHBondContact O-CA 3.46Å; V308-Q321 WeakPolarHBondContact O-CG 3.39Å; V308-T322 HydrophobicContact CB-CG2 3.98Å; V308-T322 HydrophobicContact CG2-CG2 4.44Å; V308-T322 PolarHBondContact N-OG1 3.01Å; V308-T322 PolarHBondContact O-N 2.73Å; V308-F333 HydrophobicContact CG2-CE1 4.48Å; V308-F333 HydrophobicContact CG2-CE2 3.96Å; V308-F333 HydrophobicContact CG2-CZ 3.83Å; V308-F353 HydrophobicContact CG1-CB 4.07Å; V308-F353 HydrophobicContact CG1-CD1 4.31Å; V308-S354 WeakPolarHBondContact CA-O 3.31Å; V308-V355 HydrophobicContact CG2-CG2 4.31Å
309K93.6Very high83Confident45 Ų4555.8 Ų55.820%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-99.9143.9164.8-63.1-180-166.7164.80109.6Y307 Y311 H320 Q321 F353 S354 Y356Y307-K309 HydrophobicContact CE2-CD 4.36Å; Y307-K309 HydrophobicContact CE2-CG 3.9Å; Y307-K309 WeakPolarHBondContact OH-CE 3.48Å; Y307-K309 PolarHBondContact OH-NZ 3.44Å; K309-Y311 HydrophobicContact CB-CE2 3.85Å; K309-H320 WeakPolarHBondContact CA-O 3.46Å; K309-Q321 HydrophobicContact CG-CG 4.01Å; K309-F353 WeakPolarHBondContact O-CA 3.15Å; K309-S354 PolarHBondContact N-O 3.04Å; K309-S354 PolarHBondContact O-N 2.67Å; K309-Y356 HydrophobicContact CD-CD2 4.04Å; K309-Y356 HydrophobicContact CD-CE2 3.73Å; K309-Y356 HydrophobicContact CG-CD2 4.23Å; K309-Y356 HydrophobicContact CG-CE2 4.3Å
310I93.9Very high83.4Confident0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans-131.9133.1-172.8-38.6173.6000109.8I289 V308 H320 F337 F339 L351 H352 F353I289-I310 HydrophobicContact CD1-CD1 3.86Å; I289-I310 HydrophobicContact CG1-CD1 3.67Å; V308-I310 HydrophobicContact CG1-CG1 4.36Å; I310-H320 HydrophobicContact CB-CB 4.25Å; I310-H320 HydrophobicContact CD1-CB 4.42Å; I310-H320 PolarHBondContact N-O 3.05Å; I310-H320 PolarHBondContact O-N 3.05Å; I310-F337 HydrophobicContact CD1-CB 4.49Å; I310-F337 HydrophobicContact CD1-CD2 3.28Å; I310-F337 HydrophobicContact CD1-CE2 3.52Å; I310-F337 HydrophobicContact CD1-CG 3.87Å; I310-F337 HydrophobicContact CD1-CZ 4.26Å; I310-F339 HydrophobicContact CB-CZ 4.13Å; I310-F339 HydrophobicContact CG2-CE2 4.01Å; I310-F339 HydrophobicContact CG2-CZ 3.66Å; I310-L351 HydrophobicContact CG2-CD1 3.69Å; I310-H352 WeakPolarHBondContact CA-O 3.21Å; I310-F353 HydrophobicContact CB-CD1 4.4Å; I310-F353 HydrophobicContact CG1-CD1 4.11Å; I310-F353 HydrophobicContact CG1-CE1 4.47Å; I310-F353 HydrophobicContact CG2-CD1 3.78Å; I310-F353 HydrophobicContact CG2-CE1 3.71Å
311Y88.4Confident84.3Confident47 Ų4750.2 Ų50.218%0.18426%0.258CS..EExtended strand (participates in β ladder)trans-136.2142.5179.7-49.8-91.4000110.8K309 K319 H352K309-Y311 HydrophobicContact CB-CE2 3.85Å; Y311-K319 HydrophobicContact CD1-CB 3.96Å; Y311-K319 HydrophobicContact CE1-CB 3.65Å; Y311-H352 AromaticContact CD2-ND1 3.9Å; Y311-H352 PolarHBondContact N-O 3.16Å; Y311-H352 PolarHBondContact O-N 3.14Å
312L88.2Confident85.2Confident2 Ų247.6 Ų47.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-105.978.5172.2-173.964.2000110L285 D315 F339 V341 R349 K350 L351 F375L285-L312 HydrophobicContact CD2-CD1 3.94Å; L285-L312 HydrophobicContact CD2-CD2 4.45Å; L312-D315 CarbonylContact C-O 3.51Å; L312-D315 PolarHBondContact O-N 3.08Å; L312-D315 VanDerWaalsContact O-N 3.08Å; L312-F339 HydrophobicContact CB-CD1 3.55Å; L312-F339 HydrophobicContact CB-CE1 3.88Å; L312-F339 HydrophobicContact CB-CG 4.17Å; L312-F339 HydrophobicContact CD2-CB 3.79Å; L312-F339 HydrophobicContact CD2-CD1 4.29Å; L312-F339 HydrophobicContact CD2-CG 4.23Å; L312-V341 HydrophobicContact CD2-CB 4Å; L312-V341 HydrophobicContact CD2-CG1 3.87Å; L312-V341 HydrophobicContact CD2-CG2 4.27Å; L312-R349 HydrophobicContact CD1-CB 3.83Å; L312-R349 HydrophobicContact CD1-CG 4.46Å; L312-R349 HydrophobicContact CG-CB 4.18Å; L312-R349 HydrophobicContact CG-CG 4.34Å; L312-R349 PolarHBondContact O-NH1 2.87Å; L312-K350 CarbonylContact C-O 3.44Å; L312-L351 HydrophobicContact CD1-CB 4.43Å; L312-L351 HydrophobicContact CD1-CD1 4.43Å; L312-F375 HydrophobicContact CD1-CZ 4.05Å
313L81.6Confident85.8Confident38 Ų3851.6 Ų51.620%0.19924%0.243CC..EExtended strand (participates in β ladder)trans-55.8144.8-177.1-57.9179.6000111D315 R316 R349 K350 H352L313-D315 VanDerWaalsContact C-N 3.32Å; L313-R316 HydrophobicContact CD2-CG 3.81Å; L313-R349 CarbonylContact O-C 3.57Å; L313-R349 WeakPolarHBondContact O-CA 3.08Å; L313-K350 HydrophobicContact CB-CB 4.32Å; L313-K350 WeakPolarHBondContact CB-O 3.47Å; L313-K350 PolarHBondContact N-O 2.88Å; L313-K350 PolarHBondContact O-N 2.59Å; L313-H352 HydrophobicContact CD1-CB 3.75Å; L313-H352 HydrophobicContact CG-CB 4Å
314P72.2Confident86.2Confident101 Ų10152.2 Ų52.266%0.65625%0.247SC*.THydrogen-bonded Turncis-75.8-6.57.331.3-36.4000115.2R316P314-R316 PolarHBondContact O-N 3.28Å
315D71.6Confident86.3Confident49 Ų4954.7 Ų54.726%0.26226%0.258SS..EExtended strand (participates in β ladder)trans-71.6117.5178.8-161.4-13.4000111.7L312 L313 K317L312-D315 CarbonylContact C-O 3.51Å; L312-D315 PolarHBondContact O-N 3.08Å; L312-D315 VanDerWaalsContact O-N 3.08Å; L313-D315 VanDerWaalsContact C-N 3.32Å; D315-K317 WeakPolarHBondContact OD1-CA 3.27Å; D315-K317 WeakPolarHBondContact OD1-CB 3.43Å; D315-K317 WeakPolarHBondContact OD1-CG 3.13Å; D315-K317 PolarHBondContact OD1-N 3.26Å
316R64.7Low86.2Confident154 Ų15461.2 Ų61.258%0.58128%0.282SS*.EExtended strand (participates in β ladder)trans-103.4-3.8175.3-66.8-175.1175.3-171.20.7113L313 P314L313-R316 HydrophobicContact CD2-CG 3.81Å; P314-R316 PolarHBondContact O-N 3.28Å
317K55.3Low86Confident135 Ų13568 Ų6859%0.58731%0.312SS*.EExtended strand (participates in β ladder)trans-79-44.4179.8-56175.4178.1172.90110.6D315 K319 T433D315-K317 WeakPolarHBondContact OD1-CA 3.27Å; D315-K317 WeakPolarHBondContact OD1-CB 3.43Å; D315-K317 WeakPolarHBondContact OD1-CG 3.13Å; D315-K317 PolarHBondContact OD1-N 3.26Å; K317-K319 VanDerWaalsContact C-N 3.26Å; K317-K319 PolarHBondContact O-N 3.09Å; K317-T433 WeakPolarHBondContact CE-O 3.43Å
318T67.5Low85.9Confident44 Ų4469.7 Ų69.727%0.2732%0.322SS..EExtended strand (participates in β ladder)trans-75.573.9173.757.70000111
319K78.4Confident85.9Confident129 Ų12971.9 Ų71.956%0.56133%0.334SS*.EExtended strand (participates in β ladder)trans-90.6126.7173.170.8-172.1-179.9-173.70110.6Y311 K317Y311-K319 HydrophobicContact CD1-CB 3.96Å; Y311-K319 HydrophobicContact CE1-CB 3.65Å; K317-K319 VanDerWaalsContact C-N 3.26Å; K317-K319 PolarHBondContact O-N 3.09Å
320H90.6Very high86Confident58 Ų5873.8 Ų73.827%0.26935%0.346SS..EExtended strand (participates in β ladder)trans-110.1157.1169.2-68-95.9000110.1K309 I310 F337 F339K309-H320 WeakPolarHBondContact CA-O 3.46Å; I310-H320 HydrophobicContact CB-CB 4.25Å; I310-H320 HydrophobicContact CD1-CB 4.42Å; I310-H320 PolarHBondContact N-O 3.05Å; I310-H320 PolarHBondContact O-N 3.05Å; H320-F337 HydrophobicContact CB-CB 4.23Å; H320-F337 HydrophobicContact CB-CD1 3.62Å; H320-F337 HydrophobicContact CB-CE1 4.19Å; H320-F337 HydrophobicContact CB-CG 3.99Å; H320-F337 AromaticContact CG-CD1 3.93Å; H320-F337 AromaticContact ND1-CD1 3.68Å; H320-F339 HydrophobicContact CB-CZ 4.32Å; H320-F339 AromaticContact CD2-CE1 3.49Å; H320-F339 VanDerWaalsContact CD2-CE1 3.49Å; H320-F339 WeakPolarHBondContact CD2-CE1 3.29Å; H320-F339 AromaticContact CD2-CZ 3.51Å
321Q93.8Very high86.1Confident99 Ų9973.8 Ų73.846%0.46335%0.346SS..EExtended strand (participates in β ladder)trans-148.7140.7-178.6-162.6-168.5-79.500110.8Y307 V308 K309 F337Y307-Q321 VanDerWaalsContact CD2-CD 3.46Å; Y307-Q321 HydrophobicContact CD2-CG 3.59Å; Y307-Q321 VanDerWaalsContact CE2-CD 3.48Å; Y307-Q321 HydrophobicContact CE2-CG 3.93Å; V308-Q321 VanDerWaalsContact O-CA 3.3Å; V308-Q321 WeakPolarHBondContact O-CA 3.46Å; V308-Q321 WeakPolarHBondContact O-CG 3.39Å; K309-Q321 HydrophobicContact CG-CG 4.01Å; Q321-F337 WeakPolarHBondContact O-CE1 3.37Å
322T97.6Very high86.6Confident4 Ų475.2 Ų75.23%0.02536%0.359CS..PPolyproline II helixtrans-73.9167168.8690000112I289 Y307 V308 F333 E335 F337I289-T322 HydrophobicContact CB-CG2 4.26Å; I289-T322 HydrophobicContact CG1-CG2 4.16Å; I289-T322 HydrophobicContact CG2-CG2 4.31Å; Y307-T322 WeakPolarHBondContact CA-OG1 3.43Å; V308-T322 HydrophobicContact CB-CG2 3.98Å; V308-T322 HydrophobicContact CG2-CG2 4.44Å; V308-T322 PolarHBondContact N-OG1 3.01Å; V308-T322 PolarHBondContact O-N 2.73Å; T322-F333 HydrophobicContact CG2-CB 4.39Å; T322-F333 HydrophobicContact CG2-CD1 3.94Å; T322-F333 HydrophobicContact CG2-CE1 4.43Å; T322-F333 HydrophobicContact CG2-CG 4.18Å; T322-F333 WeakPolarHBondContact OG1-CE1 3.31Å; T322-E335 WeakPolarHBondContact CA-OE1 3.28Å; T322-E335 WeakPolarHBondContact CB-OE1 3.46Å; T322-F337 HydrophobicContact CG2-CE2 4.12Å; T322-F337 HydrophobicContact CG2-CZ 4.05Å
323K96.3Very high87Confident135 Ų13575.8 Ų75.859%0.58736%0.362SS*.PPolyproline II helixtrans-60.2158.6158.9-62.9179-169.276.10110.5Y307 E335Y307-K323 WeakPolarHBondContact CB-O 3.41Å; K323-E335 PolarHBondContact N-OE1 3.46Å; K323-E335 IonicContact NZ-OE2 3.69Å; K323-E335 PolarHBondContact NZ-OE2 3Å
324V96.6Very high87.7Confident45 Ų4577.3 Ų77.327%0.27337%0.37SS..PPolyproline II helixtrans-88.2118.6172.4174.90000108.6D305 Y307 F358D305-V324 HydrophobicContact CB-CG1 3.98Å; Y307-V324 HydrophobicContact CD1-CG2 4.16Å; Y307-V324 HydrophobicContact CG-CG2 4.11Å; V324-F358 HydrophobicContact CB-CB 4.37Å; V324-F358 HydrophobicContact CB-CG 4.48Å; V324-F358 HydrophobicContact CG1-CB 3.5Å; V324-F358 VanDerWaalsContact CG1-CB 3.5Å; V324-F358 HydrophobicContact CG1-CD1 4.16Å; V324-F358 HydrophobicContact CG1-CG 3.8Å; V324-F358 HydrophobicContact CG2-CB 3.88Å; V324-F358 HydrophobicContact CG2-CD2 3.8Å; V324-F358 HydrophobicContact CG2-CG 3.88Å
325H95.8Very high89Confident52 Ų5274 Ų7424%0.24135%0.346CS..PPolyproline II helixtrans-94.5126.8173.7-72.7-107.1000108.2D305 P306 T328 P331 V332 F333D305-H325 CarbonylContact C-O 3.58Å; D305-H325 WeakPolarHBondContact CA-O 3.25Å; P306-H325 WeakPolarHBondContact CD-O 3.45Å; P306-H325 VanDerWaalsContact N-O 3.17Å; P306-H325 PolarHBondContact O-N 3.14Å; H325-T328 HydrophobicContact CB-CG2 3.86Å; H325-P331 HydrophobicContact CB-CB 3.85Å; H325-V332 PolarHBondContact CE1-O 2.88Å; H325-V332 PolarHBondContact ND1-O 2.81Å; H325-F333 AromaticContact CD2-CD1 3.38Å; H325-F333 WeakPolarHBondContact CD2-CD1 3.38Å; H325-F333 AromaticContact CD2-CE1 3.6Å; H325-F333 AromaticContact NE2-CD1 3.57Å
326R94Very high90.2Very high148 Ų14875.7 Ų75.756%0.55836%0.358SS*.PPolyproline II helixtrans-91.8141.5-171.1-49.9-156.188.1110.88.2113D305 T328D305-R326 WeakPolarHBondContact OD1-CA 3.25Å; D305-R326 WeakPolarHBondContact OD1-CB 3.13Å; D305-R326 IonicContact OD1-NE 3.04Å; D305-R326 IonicContact OD2-CZ 2.68Å; D305-R326 IonicContact OD2-NE 3.98Å; D305-R326 PolarHBondContact OD2-NE 3.01Å; D305-R326 IonicContact OD2-NH2 2.59Å; D305-R326 PolarHBondContact OD2-NH2 3.1Å; R326-T328 PolarHBondContact O-N 3.23Å
327K92.5Very high91.7Very high142 Ų14269.3 Ų69.362%0.61733%0.334SS*.SBendtrans49.649.9171.9-58.6-171.3176.6-172.30113.9T303 S304 D305T303-K327 WeakPolarHBondContact OG1-CA 3.39Å; T303-K327 WeakPolarHBondContact OG1-CB 3.42Å; S304-K327 CarbonylContact O-C 3.47Å; S304-K327 WeakPolarHBondContact O-CA 3.44Å; S304-K327 PolarHBondContact O-N 3.09Å; S304-K327 VanDerWaalsContact O-N 3.07Å; D305-K327 PolarHBondContact OD1-N 3.29Å
328T95.3Very high93.6Very high36 Ų3666.8 Ų66.822%0.22133%0.327CS..  trans-141139.9179.6-177.10000111.8S304 P306 H325 R326 N330 P331S304-T328 PolarHBondContact O-N 3.32Å; P306-T328 WeakPolarHBondContact CD-O 3.4Å; P306-T328 HydrophobicContact CG-CG2 4.04Å; P306-T328 VanDerWaalsContact CG-O 3.31Å; P306-T328 WeakPolarHBondContact CG-O 3.37Å; H325-T328 HydrophobicContact CB-CG2 3.86Å; R326-T328 PolarHBondContact O-N 3.23Å; T328-N330 VanDerWaalsContact OG1-C 3.3Å; T328-N330 PolarHBondContact OG1-N 3.14Å; T328-N330 PolarHBondContact OG1-O 3.13Å; T328-P331 HydrophobicContact CG2-CB 3.9Å
329L95.1Very high94.8Very high47 Ų4764.8 Ų64.825%0.24631%0.314CS..SBendtrans-97.7-2170-55.7-177.2000112D294 L295 A297D294-L329 PolarHBondContact N-O 3.41Å; L295-L329 HydrophobicContact CB-CB 4.37Å; L295-L329 WeakPolarHBondContact CB-O 3.39Å; L295-L329 WeakPolarHBondContact CG-O 3.44Å; L295-L329 PolarHBondContact N-O 2.73Å; L295-L329 WeakPolarHBondContact O-CB 3.27Å; L295-L329 WeakPolarHBondContact O-CD2 3.06Å; A297-L329 HydrophobicContact CB-CD1 4.34Å; A297-L329 HydrophobicContact CB-CD2 4.22Å
330N96.4Very high95.5Very high84 Ų8463 Ų6345%0.44932%0.316SS..SBendtrans-134.965.6-178.9-62.4-76.9000110A292 E293 D294 T328A292-N330 CarbonylContact O-C 3.52Å; A292-N330 VanDerWaalsContact O-CA 3.31Å; A292-N330 WeakPolarHBondContact O-CA 3.41Å; E293-N330 VanDerWaalsContact CA-OD1 3.24Å; E293-N330 WeakPolarHBondContact CA-OD1 3.26Å; D294-N330 PolarHBondContact N-OD1 2.92Å; T328-N330 VanDerWaalsContact OG1-C 3.3Å; T328-N330 PolarHBondContact OG1-N 3.14Å; T328-N330 PolarHBondContact OG1-O 3.13Å
331P97.1Very high95.5Very high1 Ų160.6 Ų60.61%0.00631%0.305CS..  trans-71.8134.8-179.330.7-36.8000111.9K291 A292 L295 P306 H325 T328 F333K291-P331 CarbonylContact C-O 3.14Å; K291-P331 WeakPolarHBondContact CA-O 3.26Å; K291-P331 VanDerWaalsContact CB-O 3.3Å; K291-P331 WeakPolarHBondContact CB-O 3.26Å; A292-P331 HydrophobicContact CB-CG 3.89Å; A292-P331 PolarHBondContact N-O 3.41Å; L295-P331 HydrophobicContact CD1-CG 3.93Å; P306-P331 HydrophobicContact CB-CG 4.16Å; P306-P331 HydrophobicContact CG-CB 3.87Å; P306-P331 HydrophobicContact CG-CG 3.6Å; H325-P331 HydrophobicContact CB-CB 3.85Å; T328-P331 HydrophobicContact CG2-CB 3.9Å; P331-F333 HydrophobicContact CB-CD2 4.45Å; P331-F333 HydrophobicContact CB-CE1 4.01Å; P331-F333 HydrophobicContact CB-CE2 3.87Å; P331-F333 HydrophobicContact CB-CZ 3.62Å; P331-F333 HydrophobicContact CG-CD2 4.48Å; P331-F333 HydrophobicContact CG-CE1 4.3Å; P331-F333 HydrophobicContact CG-CE2 3.55Å; P331-F333 HydrophobicContact CG-CZ 3.44Å; P331-F333 VanDerWaalsContact CG-CZ 3.44Å
332V97.6Very high95.4Very high76 Ų7657 Ų5746%0.46129%0.292SS..EExtended strand (participates in β ladder)trans-105111.7166.8-177.30000107.6K291 H325 D334K291-V332 HydrophobicContact CB-CB 4.41Å; K291-V332 HydrophobicContact CB-CG2 4.07Å; H325-V332 PolarHBondContact CE1-O 2.88Å; H325-V332 PolarHBondContact ND1-O 2.81Å; V332-D334 VanDerWaalsContact CG1-OD2 3.24Å; V332-D334 WeakPolarHBondContact CG1-OD2 3.49Å
333F97.2Very high94.9Very high15 Ų1560.7 Ų60.77%0.06631%0.306CS..EExtended strand (participates in β ladder)trans-91.1-50.5-175.3-57.5-80.9000111.4I289 H290 A292 V308 T322 H325 P331 E335I289-F333 HydrophobicContact CB-CB 4.45Å; I289-F333 HydrophobicContact CG2-CB 4.06Å; I289-F333 HydrophobicContact CG2-CD2 3.52Å; I289-F333 HydrophobicContact CG2-CE2 4.2Å; I289-F333 HydrophobicContact CG2-CG 3.99Å; H290-F333 PolarHBondContact O-N 3.47Å; A292-F333 HydrophobicContact CB-CE2 4.23Å; V308-F333 HydrophobicContact CG2-CE1 4.48Å; V308-F333 HydrophobicContact CG2-CE2 3.96Å; V308-F333 HydrophobicContact CG2-CZ 3.83Å; T322-F333 HydrophobicContact CG2-CB 4.39Å; T322-F333 HydrophobicContact CG2-CD1 3.94Å; T322-F333 HydrophobicContact CG2-CE1 4.43Å; T322-F333 HydrophobicContact CG2-CG 4.18Å; T322-F333 WeakPolarHBondContact OG1-CE1 3.31Å; H325-F333 AromaticContact CD2-CD1 3.38Å; H325-F333 WeakPolarHBondContact CD2-CD1 3.38Å; H325-F333 AromaticContact CD2-CE1 3.6Å; H325-F333 AromaticContact NE2-CD1 3.57Å; P331-F333 HydrophobicContact CB-CD2 4.45Å; P331-F333 HydrophobicContact CB-CE1 4.01Å; P331-F333 HydrophobicContact CB-CE2 3.87Å; P331-F333 HydrophobicContact CB-CZ 3.62Å; P331-F333 HydrophobicContact CG-CD2 4.48Å; P331-F333 HydrophobicContact CG-CE1 4.3Å; P331-F333 HydrophobicContact CG-CE2 3.55Å; P331-F333 HydrophobicContact CG-CZ 3.44Å; P331-F333 VanDerWaalsContact CG-CZ 3.44Å; F333-E335 HydrophobicContact CB-CG 4.5Å; F333-E335 WeakPolarHBondContact O-CG 3.18Å; F333-E335 PolarHBondContact O-N 3.42Å
334D97.1Very high94.6Very high70 Ų7059 Ų5937%0.37431%0.312SS..EExtended strand (participates in β ladder)trans51.230.8-173.7-85.3-53.6000115.9K288 I289 H290 V332K288-D334 WeakPolarHBondContact CE-OD1 3.49Å; K288-D334 IonicContact NZ-OD1 2.79Å; K288-D334 PolarHBondContact NZ-OD1 2.82Å; I289-D334 CarbonylContact O-C 3.5Å; I289-D334 VanDerWaalsContact O-CA 3.22Å; I289-D334 WeakPolarHBondContact O-CA 3.46Å; I289-D334 PolarHBondContact O-N 3.34Å; I289-D334 VanDerWaalsContact O-N 3.07Å; H290-D334 IonicContact CE1-OD1 3.79Å; H290-D334 IonicContact CE1-OD2 3.31Å; H290-D334 IonicContact CG-OD1 3.61Å; H290-D334 IonicContact ND1-OD1 2.63Å; H290-D334 PolarHBondContact ND1-OD1 3.39Å; H290-D334 IonicContact ND1-OD2 2.75Å; H290-D334 PolarHBondContact ND1-OD2 3.12Å; H290-D334 PolarHBondContact O-N 2.9Å; V332-D334 VanDerWaalsContact CG1-OD2 3.24Å; V332-D334 WeakPolarHBondContact CG1-OD2 3.49Å
335E97.7Very high94.2Very high31 Ų3160.7 Ų60.715%0.14532%0.317CS..EExtended strand (participates in β ladder)trans-96.1140.4-177.5-60.1-167.5-94.100113.1K288 I289 T322 K323 F333 F337K288-E335 CarbonylContact C-O 3.58Å; K288-E335 VanDerWaalsContact CA-O 3.31Å; K288-E335 WeakPolarHBondContact CA-O 3.36Å; I289-E335 PolarHBondContact N-O 2.92Å; I289-E335 PolarHBondContact O-N 3.31Å; T322-E335 WeakPolarHBondContact CA-OE1 3.28Å; T322-E335 WeakPolarHBondContact CB-OE1 3.46Å; K323-E335 PolarHBondContact N-OE1 3.46Å; K323-E335 IonicContact NZ-OE2 3.69Å; K323-E335 PolarHBondContact NZ-OE2 3Å; F333-E335 HydrophobicContact CB-CG 4.5Å; F333-E335 WeakPolarHBondContact O-CG 3.18Å; F333-E335 PolarHBondContact O-N 3.42Å; E335-F337 HydrophobicContact CB-CE2 3.7Å; E335-F337 HydrophobicContact CB-CZ 3.64Å
336V97.3Very high93.9Very high84 Ų8458.2 Ų58.251%0.50931%0.305SS..EExtended strand (participates in β ladder)trans-110.8135.3-177.9-174.50000110.3I286 K288I286-V336 HydrophobicContact CG2-CG1 3.7Å; K288-V336 HydrophobicContact CB-CG2 4.06Å; K288-V336 HydrophobicContact CD-CG2 4.02Å; K288-V336 HydrophobicContact CG-CG2 3.82Å
337F96.2Very high93.6Very high20 Ų2054.7 Ų54.79%0.08830%0.301CS..EExtended strand (participates in β ladder)trans-128.2147.9179.7-53.2-79.3000109.9V287 I289 I310 H320 Q321 T322 E335 F339V287-F337 PolarHBondContact N-O 3.29Å; V287-F337 PolarHBondContact O-N 3.36Å; I289-F337 HydrophobicContact CG1-CD2 4.24Å; I289-F337 HydrophobicContact CG1-CE2 3.88Å; I310-F337 HydrophobicContact CD1-CB 4.49Å; I310-F337 HydrophobicContact CD1-CD2 3.28Å; I310-F337 HydrophobicContact CD1-CE2 3.52Å; I310-F337 HydrophobicContact CD1-CG 3.87Å; I310-F337 HydrophobicContact CD1-CZ 4.26Å; H320-F337 HydrophobicContact CB-CB 4.23Å; H320-F337 HydrophobicContact CB-CD1 3.62Å; H320-F337 HydrophobicContact CB-CE1 4.19Å; H320-F337 HydrophobicContact CB-CG 3.99Å; H320-F337 AromaticContact CG-CD1 3.93Å; H320-F337 AromaticContact ND1-CD1 3.68Å; Q321-F337 WeakPolarHBondContact O-CE1 3.37Å; T322-F337 HydrophobicContact CG2-CE2 4.12Å; T322-F337 HydrophobicContact CG2-CZ 4.05Å; E335-F337 HydrophobicContact CB-CE2 3.7Å; E335-F337 HydrophobicContact CB-CZ 3.64Å; F337-F339 HydrophobicContact CB-CE2 4.26Å
338L95.1Very high93.2Very high82 Ų8252.8 Ų52.843%0.42930%0.302SS..EExtended strand (participates in β ladder)trans-123.9122.7-174.7-57.4176000108.9I286I286-L338 HydrophobicContact CB-CD2 4.19Å; I286-L338 HydrophobicContact CD1-CD2 4.21Å; I286-L338 HydrophobicContact CG1-CD2 3.75Å; I286-L338 HydrophobicContact CG2-CD2 3.96Å
339F93.2Very high92.7Very high2 Ų252.8 Ų52.81%0.00930%0.298CS..EExtended strand (participates in β ladder)trans-111.7114175.4-66.3-94.9000109.2Q284 L285 V287 I310 L312 H320 F337 V341 L351Q284-F339 WeakPolarHBondContact CA-O 3.31Å; L285-F339 HydrophobicContact CB-CB 4.35Å; L285-F339 PolarHBondContact N-O 3.44Å; L285-F339 PolarHBondContact O-N 2.8Å; V287-F339 HydrophobicContact CB-CD2 4.48Å; V287-F339 HydrophobicContact CB-CE2 4.19Å; V287-F339 HydrophobicContact CG2-CD2 3.81Å; V287-F339 HydrophobicContact CG2-CE2 3.83Å; I310-F339 HydrophobicContact CB-CZ 4.13Å; I310-F339 HydrophobicContact CG2-CE2 4.01Å; I310-F339 HydrophobicContact CG2-CZ 3.66Å; L312-F339 HydrophobicContact CB-CD1 3.55Å; L312-F339 HydrophobicContact CB-CE1 3.88Å; L312-F339 HydrophobicContact CB-CG 4.17Å; L312-F339 HydrophobicContact CD2-CB 3.79Å; L312-F339 HydrophobicContact CD2-CD1 4.29Å; L312-F339 HydrophobicContact CD2-CG 4.23Å; H320-F339 HydrophobicContact CB-CZ 4.32Å; H320-F339 AromaticContact CD2-CE1 3.49Å; H320-F339 VanDerWaalsContact CD2-CE1 3.49Å; H320-F339 WeakPolarHBondContact CD2-CE1 3.29Å; H320-F339 AromaticContact CD2-CZ 3.51Å; F337-F339 HydrophobicContact CB-CE2 4.26Å; F339-V341 PolarHBondContact O-N 2.77Å; F339-L351 HydrophobicContact CE2-CD1 4.25Å; F339-L351 HydrophobicContact CZ-CD1 4.39Å
340P92.3Very high92.4Very high93 Ų9354.9 Ų54.960%0.60431%0.305SS*.EExtended strand (participates in β ladder)trans-69.3120172.928.7-32.8000109.8Q284Q284-P340 HydrophobicContact CG-CB 4.28Å
341V90.8Very high92.2Very high7 Ų750.9 Ų50.94%0.04228%0.283CS..  trans-162.4128.5-177.761.90000109.7F278 E283 L285 L312 F339 E345 L346 R349F278-V341 HydrophobicContact CE2-CG1 4.12Å; F278-V341 VanDerWaalsContact CE2-O 3.28Å; F278-V341 WeakPolarHBondContact CE2-O 3.48Å; F278-V341 WeakPolarHBondContact CZ-O 3.46Å; E283-V341 CarbonylContact C-O 3.51Å; E283-V341 CarbonylContact O-C 3.53Å; E283-V341 PolarHBondContact O-N 3.39Å; L285-V341 HydrophobicContact CB-CG1 3.84Å; L312-V341 HydrophobicContact CD2-CB 4Å; L312-V341 HydrophobicContact CD2-CG1 3.87Å; L312-V341 HydrophobicContact CD2-CG2 4.27Å; F339-V341 PolarHBondContact O-N 2.77Å; V341-E345 HydrophobicContact CG2-CB 3.89Å; V341-L346 HydrophobicContact CG1-CD2 3.77Å; V341-L346 HydrophobicContact CG2-CD2 4.32Å; V341-R349 HydrophobicContact CG2-CG 4.1Å
342A91.3Very high92Very high22 Ų2252 Ų5218%0.18229%0.288CS..  trans-64.9145.1175.700000111E283 S344 E345E283-A342 WeakPolarHBondContact OE1-CB 3.37Å; A342-S344 PolarHBondContact O-N 3.15Å; A342-E345 HydrophobicContact CB-CG 4.46Å; A342-E345 PolarHBondContact O-N 2.77Å
343Y88.9Confident91.8Very high82 Ų8248.3 Ų48.332%0.32227%0.266SS..G310 helixtrans-57.5-37.6-176.8-175-101.4000112.5F278 E345 L346 L376 F381 P382F278-Y343 AromaticContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CD2 3.71Å; F278-Y343 HydrophobicContact CD1-CE2 4.45Å; F278-Y343 AromaticContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CD2 3.69Å; F278-Y343 HydrophobicContact CE1-CG 4.2Å; F278-Y343 HydrophobicContact CG-CD2 4.33Å; F278-Y343 HydrophobicContact CZ-CD2 4.31Å; Y343-E345 VanDerWaalsContact C-N 3.25Å; Y343-E345 PolarHBondContact O-N 2.85Å; Y343-L346 HydrophobicContact CD2-CD1 3.62Å; Y343-L346 HydrophobicContact CE2-CD1 4.07Å; Y343-L346 HydrophobicContact CG-CD1 4.31Å; Y343-L346 WeakPolarHBondContact O-CB 3.13Å; Y343-L346 WeakPolarHBondContact O-CG 3.26Å; Y343-L346 PolarHBondContact O-N 3.25Å; Y343-L376 HydrophobicContact CE2-CD2 4.11Å; Y343-L376 WeakPolarHBondContact OH-CD2 3.2Å; Y343-F381 HydrophobicContact CE2-CE1 4.46Å; Y343-P382 HydrophobicContact CE2-CB 4.38Å
344S89.1Confident91.6Very high101 Ų10147.9 Ų47.971%0.70627%0.265SS*.G310 helixtrans-64.5-21177.752.20000114.6A342A342-S344 PolarHBondContact O-N 3.15Å
345E88.5Confident91.5Very high80 Ų8044.6 Ų44.637%0.37425%0.247SC..G310 helixtrans-83.8-24.3176.4-69.4-170.8-158.200113.1V341 A342 Y343 P347 T348 R349V341-E345 HydrophobicContact CG2-CB 3.89Å; A342-E345 HydrophobicContact CB-CG 4.46Å; A342-E345 PolarHBondContact O-N 2.77Å; Y343-E345 VanDerWaalsContact C-N 3.25Å; Y343-E345 PolarHBondContact O-N 2.85Å; E345-P347 VanDerWaalsContact C-N 3.32Å; E345-P347 VanDerWaalsContact O-N 3.14Å; E345-T348 PolarHBondContact O-N 3.03Å; E345-T348 PolarHBondContact O-OG1 3.36Å; E345-R349 PolarHBondContact O-N 3.06Å; E345-R349 IonicContact OE2-CZ 2.9Å; E345-R349 VanDerWaalsContact OE2-CZ 3.27Å; E345-R349 IonicContact OE2-NE 3.6Å; E345-R349 PolarHBondContact OE2-NE 2.99Å; E345-R349 IonicContact OE2-NH2 2.66Å; E345-R349 PolarHBondContact OE2-NH2 3.4Å
346L88.9Confident91.3Very high0 Ų045.4 Ų45.40%025%0.25CC..G310 helixtrans-49.5-39.7-173.4-66.3174.9000114.6F278 V341 Y343 T348 R349 F375 F381F278-L346 HydrophobicContact CD2-CD1 3.85Å; F278-L346 HydrophobicContact CD2-CD2 4.44Å; F278-L346 HydrophobicContact CE2-CD1 3.99Å; F278-L346 HydrophobicContact CE2-CD2 4.38Å; F278-L346 HydrophobicContact CE2-CG 4.47Å; F278-L346 HydrophobicContact CG-CD1 4.25Å; F278-L346 HydrophobicContact CZ-CD1 4.49Å; V341-L346 HydrophobicContact CG1-CD2 3.77Å; V341-L346 HydrophobicContact CG2-CD2 4.32Å; Y343-L346 HydrophobicContact CD2-CD1 3.62Å; Y343-L346 HydrophobicContact CE2-CD1 4.07Å; Y343-L346 HydrophobicContact CG-CD1 4.31Å; Y343-L346 WeakPolarHBondContact O-CB 3.13Å; Y343-L346 WeakPolarHBondContact O-CG 3.26Å; Y343-L346 PolarHBondContact O-N 3.25Å; L346-T348 PolarHBondContact O-N 3.3Å; L346-T348 VanDerWaalsContact O-N 3.12Å; L346-R349 PolarHBondContact O-N 3.07Å; L346-R349 VanDerWaalsContact O-N 3.13Å; L346-F375 HydrophobicContact CB-CD2 4.29Å; L346-F375 HydrophobicContact CD2-CD2 4.46Å; L346-F375 WeakPolarHBondContact O-CD2 3.19Å; L346-F381 HydrophobicContact CD1-CE1 4.02Å; L346-F381 HydrophobicContact CD1-CZ 3.99Å
347P87.6Confident91.1Very high73 Ų7341.7 Ų41.747%0.47423%0.227SC..G310 helixtrans-59.4-22.3176.3-2535.8000114.7E345 L376E345-P347 VanDerWaalsContact C-N 3.32Å; E345-P347 VanDerWaalsContact O-N 3.14Å; P347-L376 HydrophobicContact CG-CD1 3.91Å
348T84.6Confident90.8Very high103 Ų10343.3 Ų43.363%0.63223%0.234SC*.G310 helixtrans-98.6-1118070.10000113.6E345 L346E345-T348 PolarHBondContact O-N 3.03Å; E345-T348 PolarHBondContact O-OG1 3.36Å; L346-T348 PolarHBondContact O-N 3.3Å; L346-T348 VanDerWaalsContact O-N 3.12Å
349R85.6Confident90.2Very high35 Ų3541.7 Ų41.713%0.13223%0.226CC..  trans-89.1156.7-179.2-59.2-54.4-163.5112.6-0.1111.3L312 L313 V341 E345 L346 F375L312-R349 HydrophobicContact CD1-CB 3.83Å; L312-R349 HydrophobicContact CD1-CG 4.46Å; L312-R349 HydrophobicContact CG-CB 4.18Å; L312-R349 HydrophobicContact CG-CG 4.34Å; L312-R349 PolarHBondContact O-NH1 2.87Å; L313-R349 CarbonylContact O-C 3.57Å; L313-R349 WeakPolarHBondContact O-CA 3.08Å; V341-R349 HydrophobicContact CG2-CG 4.1Å; E345-R349 PolarHBondContact O-N 3.06Å; E345-R349 IonicContact OE2-CZ 2.9Å; E345-R349 VanDerWaalsContact OE2-CZ 3.27Å; E345-R349 IonicContact OE2-NE 3.6Å; E345-R349 PolarHBondContact OE2-NE 2.99Å; E345-R349 IonicContact OE2-NH2 2.66Å; E345-R349 PolarHBondContact OE2-NH2 3.4Å; L346-R349 PolarHBondContact O-N 3.07Å; L346-R349 VanDerWaalsContact O-N 3.13Å; R349-F375 HydrophobicContact CB-CE2 4.04Å; R349-F375 WeakPolarHBondContact O-CE2 3.43Å
350K88.3Confident89.6Confident91 Ų9150.5 Ų50.540%0.39626%0.259SS..EExtended strand (participates in β ladder)trans-134.5127.6169.3-52.1-161.8168.8-1560110.6L312 L313 V371 V372 D373L312-K350 CarbonylContact C-O 3.44Å; L313-K350 HydrophobicContact CB-CB 4.32Å; L313-K350 WeakPolarHBondContact CB-O 3.47Å; L313-K350 PolarHBondContact N-O 2.88Å; L313-K350 PolarHBondContact O-N 2.59Å; K350-V371 HydrophobicContact CB-CG1 4.43Å; K350-V372 CarbonylContact C-O 3.52Å; K350-D373 HydrophobicContact CB-CB 4.43Å; K350-D373 HydrophobicContact CD-CB 3.74Å; K350-D373 WeakPolarHBondContact CE-OD2 3.45Å; K350-D373 HydrophobicContact CG-CB 3.82Å; K350-D373 IonicContact NZ-OD2 2.7Å; K350-D373 PolarHBondContact NZ-OD2 3.45Å
351L92.7Very high88.5Confident0 Ų054.5 Ų54.50%027%0.267CS..EExtended strand (participates in β ladder)trans-85.9121.3176.1-174.664.4000108.7L276 V287 I310 L312 F339 F353 V372 F375L276-L351 HydrophobicContact CD1-CD2 4.44Å; L276-L351 HydrophobicContact CD2-CD2 3.48Å; L276-L351 VanDerWaalsContact CD2-CD2 3.48Å; V287-L351 HydrophobicContact CG1-CD2 4.02Å; V287-L351 HydrophobicContact CG2-CD1 4.14Å; V287-L351 HydrophobicContact CG2-CD2 3.77Å; I310-L351 HydrophobicContact CG2-CD1 3.69Å; L312-L351 HydrophobicContact CD1-CB 4.43Å; L312-L351 HydrophobicContact CD1-CD1 4.43Å; F339-L351 HydrophobicContact CE2-CD1 4.25Å; F339-L351 HydrophobicContact CZ-CD1 4.39Å; L351-F353 HydrophobicContact CD2-CE1 4.1Å; L351-F353 HydrophobicContact CD2-CE2 4.01Å; L351-F353 HydrophobicContact CD2-CZ 3.4Å; L351-F353 VanDerWaalsContact CD2-CZ 3.4Å; L351-F353 HydrophobicContact CG-CE1 4.13Å; L351-F353 HydrophobicContact CG-CE2 4.03Å; L351-F353 HydrophobicContact CG-CZ 3.67Å; L351-V372 HydrophobicContact CB-CB 4.48Å; L351-V372 PolarHBondContact N-O 2.84Å; L351-V372 PolarHBondContact O-N 3.47Å; L351-F375 HydrophobicContact CB-CE1 3.65Å; L351-F375 HydrophobicContact CB-CZ 3.67Å; L351-F375 HydrophobicContact CD2-CE1 4.38Å
352H91.4Very high87.2Confident24 Ų2457.9 Ų57.911%0.11129%0.291CS..EExtended strand (participates in β ladder)trans-120125.3-173-176.1-75.6000110.1I310 Y311 L313 S354 Q369I310-H352 WeakPolarHBondContact CA-O 3.21Å; Y311-H352 AromaticContact CD2-ND1 3.9Å; Y311-H352 PolarHBondContact N-O 3.16Å; Y311-H352 PolarHBondContact O-N 3.14Å; L313-H352 HydrophobicContact CD1-CB 3.75Å; L313-H352 HydrophobicContact CG-CB 4Å; H352-S354 PolarHBondContact CE1-OG 3.23Å; H352-S354 VanDerWaalsContact CE1-OG 3.31Å; H352-Q369 PolarHBondContact CE1-OE1 3.04Å; H352-Q369 VanDerWaalsContact CE1-OE1 3.25Å; H352-Q369 PolarHBondContact NE2-OE1 3.08Å
353F94.8Very high86.2Confident0 Ų062.9 Ų62.90%031%0.305CS..EExtended strand (participates in β ladder)trans-112.7126.2176.1-50.7-79.4000109.6L272 F274 V287 I289 V308 K309 I310 L351 Q369 V370 V372L272-F353 HydrophobicContact CD2-CB 3.88Å; L272-F353 HydrophobicContact CD2-CD1 4.22Å; L272-F353 HydrophobicContact CD2-CD2 4.12Å; L272-F353 HydrophobicContact CD2-CG 3.83Å; F274-F353 HydrophobicContact CD1-CE2 4.37Å; F274-F353 HydrophobicContact CD1-CZ 4.49Å; F274-F353 AromaticContact CD2-CE2 3.91Å; F274-F353 HydrophobicContact CD2-CE2 3.91Å; F274-F353 AromaticContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CD2-CZ 3.59Å; F274-F353 HydrophobicContact CE1-CE2 4.06Å; F274-F353 AromaticContact CE2-CE2 3.53Å; F274-F353 HydrophobicContact CE2-CE2 3.53Å; F274-F353 AromaticContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CE2-CZ 3.67Å; F274-F353 HydrophobicContact CG-CE2 4.31Å; F274-F353 HydrophobicContact CG-CZ 4.03Å; F274-F353 HydrophobicContact CZ-CD2 4.49Å; F274-F353 AromaticContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CE2 3.62Å; F274-F353 HydrophobicContact CZ-CZ 4.19Å; V287-F353 HydrophobicContact CG1-CE1 3.89Å; V287-F353 HydrophobicContact CG1-CZ 4.13Å; I289-F353 HydrophobicContact CD1-CD1 3.82Å; I289-F353 HydrophobicContact CD1-CE1 3.47Å; I289-F353 VanDerWaalsContact CD1-CE1 3.47Å; I289-F353 HydrophobicContact CD1-CZ 4.37Å; V308-F353 HydrophobicContact CG1-CB 4.07Å; V308-F353 HydrophobicContact CG1-CD1 4.31Å; K309-F353 WeakPolarHBondContact O-CA 3.15Å; I310-F353 HydrophobicContact CB-CD1 4.4Å; I310-F353 HydrophobicContact CG1-CD1 4.11Å; I310-F353 HydrophobicContact CG1-CE1 4.47Å; I310-F353 HydrophobicContact CG2-CD1 3.78Å; I310-F353 HydrophobicContact CG2-CE1 3.71Å; L351-F353 HydrophobicContact CD2-CE1 4.1Å; L351-F353 HydrophobicContact CD2-CE2 4.01Å; L351-F353 HydrophobicContact CD2-CZ 3.4Å; L351-F353 VanDerWaalsContact CD2-CZ 3.4Å; L351-F353 HydrophobicContact CG-CE1 4.13Å; L351-F353 HydrophobicContact CG-CE2 4.03Å; L351-F353 HydrophobicContact CG-CZ 3.67Å; F353-Q369 CarbonylContact O-C 3.5Å; F353-Q369 VanDerWaalsContact O-CA 3.23Å; F353-Q369 WeakPolarHBondContact O-CA 3.06Å; F353-V370 HydrophobicContact CB-CB 4.23Å; F353-V370 HydrophobicContact CD2-CB 3.91Å; F353-V370 HydrophobicContact CD2-CG1 3.9Å; F353-V370 HydrophobicContact CE2-CG1 4.44Å; F353-V370 PolarHBondContact N-O 3.5Å; F353-V370 PolarHBondContact O-N 3.19Å; F353-V372 HydrophobicContact CE2-CG2 4.31Å
354S92.5Very high85.9Confident6 Ų662.2 Ų62.24%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-108.7118.6166.1-66.10000109.7V308 K309 H352V308-S354 WeakPolarHBondContact CA-O 3.31Å; K309-S354 PolarHBondContact N-O 3.04Å; K309-S354 PolarHBondContact O-N 2.67Å; H352-S354 PolarHBondContact CE1-OG 3.23Å; H352-S354 VanDerWaalsContact CE1-OG 3.31Å
355V95.1Very high85.5Confident0 Ų061 Ų610%029%0.29CS..EExtended strand (participates in β ladder)trans-90.4127.5173.6-170.10000108.4L295 V308 I367 G368 I391L295-V355 HydrophobicContact CD1-CG1 4.48Å; L295-V355 HydrophobicContact CD2-CG1 4.38Å; V308-V355 HydrophobicContact CG2-CG2 4.31Å; V355-I367 HydrophobicContact CB-CB 4.26Å; V355-I367 HydrophobicContact CB-CG2 4.4Å; V355-I367 HydrophobicContact CG1-CB 4.08Å; V355-I367 HydrophobicContact CG1-CD1 4.24Å; V355-I367 HydrophobicContact CG1-CG2 4.12Å; V355-I367 WeakPolarHBondContact O-CB 3.33Å; V355-I367 PolarHBondContact O-N 2.87Å; V355-G368 PolarHBondContact N-O 3.25Å; V355-G368 PolarHBondContact O-N 3.04Å; V355-I391 HydrophobicContact CG2-CD1 4.02Å; V355-I391 HydrophobicContact CG2-CG1 4.33Å; V355-I391 HydrophobicContact CG2-CG2 4.35Å
356Y93.5Very high85.4Confident48 Ų4858.6 Ų58.619%0.18828%0.28CS..EExtended strand (participates in β ladder)trans-128.5150.4-176.8-78.9-82.6000110.9P306 Y307 K309 H364 D365 I366P306-Y356 CarbonylContact C-O 3.09Å; P306-Y356 VanDerWaalsContact CA-O 3.3Å; P306-Y356 WeakPolarHBondContact CA-O 3.42Å; Y307-Y356 HydrophobicContact CE1-CG 4.24Å; Y307-Y356 HydrophobicContact CE2-CD2 4.44Å; Y307-Y356 AromaticContact CZ-CG 3.91Å; Y307-Y356 PolarHBondContact N-O 3.21Å; Y307-Y356 PolarHBondContact O-N 3.03Å; Y307-Y356 WeakPolarHBondContact OH-CB 3.25Å; K309-Y356 HydrophobicContact CD-CD2 4.04Å; K309-Y356 HydrophobicContact CD-CE2 3.73Å; K309-Y356 HydrophobicContact CG-CD2 4.23Å; K309-Y356 HydrophobicContact CG-CE2 4.3Å; Y356-H364 HydrophobicContact CD1-CB 4.28Å; Y356-D365 CarbonylContact C-O 3.44Å; Y356-D365 WeakPolarHBondContact CA-O 3.3Å; Y356-I366 HydrophobicContact CD1-CB 4.11Å; Y356-I366 HydrophobicContact CD1-CG1 4.36Å; Y356-I366 HydrophobicContact CE1-CB 3.85Å; Y356-I366 HydrophobicContact CE1-CD1 4.4Å; Y356-I366 HydrophobicContact CE1-CG1 4.07Å
357D92.4Very high85.5Confident6 Ų658.6 Ų58.63%0.03228%0.28CS..EExtended strand (participates in β ladder)trans-83.4139.6159.3-167.316.9000110.2K298 D305 H364 D365 I367K298-D357 HydrophobicContact CB-CB 4.07Å; K298-D357 WeakPolarHBondContact CB-OD2 3.29Å; K298-D357 HydrophobicContact CG-CB 4.34Å; D305-D357 WeakPolarHBondContact CA-OD1 3.35Å; D305-D357 PolarHBondContact N-OD1 2.68Å; D357-H364 CarbonylContact O-C 3.59Å; D357-H364 WeakPolarHBondContact O-CA 3.44Å; D357-H364 VanDerWaalsContact O-CB 3.23Å; D357-H364 WeakPolarHBondContact O-CB 3.38Å; D357-D365 HydrophobicContact CB-CB 4.08Å; D357-D365 PolarHBondContact N-O 3.41Å; D357-D365 PolarHBondContact O-N 3.38Å; D357-I367 HydrophobicContact CB-CD1 4.2Å; D357-I367 HydrophobicContact CB-CG1 4.42Å
358F90.8Very high85.6Confident55 Ų5555.1 Ų55.124%0.24126%0.257CS..  trans-91.6115.2174.8175.5-87000110.5D305 Y307 V324 R360 H364D305-F358 HydrophobicContact CB-CB 4Å; D305-F358 VanDerWaalsContact O-CB 3.25Å; D305-F358 WeakPolarHBondContact O-CB 3.24Å; D305-F358 PolarHBondContact O-N 3.33Å; Y307-F358 HydrophobicContact CD1-CB 3.96Å; Y307-F358 HydrophobicContact CE1-CB 4.13Å; V324-F358 HydrophobicContact CB-CB 4.37Å; V324-F358 HydrophobicContact CB-CG 4.48Å; V324-F358 HydrophobicContact CG1-CB 3.5Å; V324-F358 VanDerWaalsContact CG1-CB 3.5Å; V324-F358 HydrophobicContact CG1-CD1 4.16Å; V324-F358 HydrophobicContact CG1-CG 3.8Å; V324-F358 HydrophobicContact CG2-CB 3.88Å; V324-F358 HydrophobicContact CG2-CD2 3.8Å; V324-F358 HydrophobicContact CG2-CG 3.88Å; F358-R360 HydrophobicContact CE1-CB 4.28Å; F358-H364 AromaticContact CD2-CE1 3.38Å; F358-H364 WeakPolarHBondContact CD2-CE1 3.42Å; F358-H364 AromaticContact CD2-NE2 3.51Å; F358-H364 AromaticContact CE2-CE1 3.55Å; F358-H364 AromaticContact CE2-NE2 3.46Å; F358-H364 WeakPolarHBondContact CE2-NE2 3.35Å
359D81.3Confident86Confident47 Ų4752.1 Ų52.125%0.25124%0.236SC..  trans-108.4133.6174.9-161.9-36.4000110.8F361 S362 H364D359-F361 PolarHBondContact OD1-N 2.94Å; D359-S362 PolarHBondContact OD1-N 2.77Å; D359-S362 PolarHBondContact OD1-OG 2.79Å; D359-S362 WeakPolarHBondContact OD2-CB 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.34Å; D359-H364 PolarHBondContact O-CD2 3.4Å; D359-H364 PolarHBondContact O-NE2 2.9Å
360R81.3Confident86.3Confident188 Ų18850.7 Ų50.771%0.70923%0.231SC*.SBendtrans-79.4-26.8-177.9-176.5174178.4-175.10.5113.3F358F358-R360 HydrophobicContact CE1-CB 4.28Å
361F68.5Low86.5Confident176 Ų17649.3 Ų49.377%0.77223%0.23SC*.SBendtrans-127.9-5.6-171-57.4-66.4000113.6D359D359-F361 PolarHBondContact OD1-N 2.94Å
362S65.3Low86.4Confident78 Ų7849.3 Ų49.355%0.54523%0.23SC..SBendtrans-116.6-170.5177.5-34.40000111.7D359D359-S362 PolarHBondContact OD1-N 2.77Å; D359-S362 PolarHBondContact OD1-OG 2.79Å; D359-S362 WeakPolarHBondContact OD2-CB 3.46Å; D359-S362 PolarHBondContact OD2-OG 3.34Å
363R70.2Confident86.3Confident128 Ų12851.3 Ų51.348%0.48324%0.242SC..PPolyproline II helixtrans-71.9149.3159.9-72.2-176175156.86.7109.5D365 E537 Y538R363-D365 PolarHBondContact O-N 3.35Å; R363-E537 IonicContact CZ-OE1 3.06Å; R363-E537 IonicContact NH1-OE1 2.67Å; R363-E537 PolarHBondContact NH1-OE1 2.83Å; R363-Y538 PolarHBondContact NH1-O 3.27Å; R363-Y538 VanDerWaalsContact NH1-O 3.1Å
364H81.3Confident85.8Confident68 Ų6855 Ų5532%0.31526%0.262SS..PPolyproline II helixtrans-69.6117.8172.9-65.2-175.7000109.7Y307 Y356 D357 F358 D359Y307-H364 HydrophobicContact CE1-CB 4.36Å; Y307-H364 AromaticContact CE1-ND1 3.64Å; Y307-H364 AromaticContact CZ-ND1 3.47Å; Y307-H364 PolarHBondContact OH-ND1 3.24Å; Y356-H364 HydrophobicContact CD1-CB 4.28Å; D357-H364 CarbonylContact O-C 3.59Å; D357-H364 WeakPolarHBondContact O-CA 3.44Å; D357-H364 VanDerWaalsContact O-CB 3.23Å; D357-H364 WeakPolarHBondContact O-CB 3.38Å; F358-H364 AromaticContact CD2-CE1 3.38Å; F358-H364 WeakPolarHBondContact CD2-CE1 3.42Å; F358-H364 AromaticContact CD2-NE2 3.51Å; F358-H364 AromaticContact CE2-CE1 3.55Å; F358-H364 AromaticContact CE2-NE2 3.46Å; F358-H364 WeakPolarHBondContact CE2-NE2 3.35Å; D359-H364 PolarHBondContact O-CD2 3.4Å; D359-H364 PolarHBondContact O-NE2 2.9Å
365D80.9Confident85.4Confident75 Ų7554.8 Ų54.840%0.40126%0.26SS..PPolyproline II helixtrans-74.6132.7-171.7-136.847.6000110.8K298 Y356 D357 R363 I367K298-D365 WeakPolarHBondContact CD-OD2 3.44Å; K298-D365 IonicContact NZ-OD2 2.6Å; K298-D365 PolarHBondContact NZ-OD2 2.99Å; Y356-D365 CarbonylContact C-O 3.44Å; Y356-D365 WeakPolarHBondContact CA-O 3.3Å; D357-D365 HydrophobicContact CB-CB 4.08Å; D357-D365 PolarHBondContact N-O 3.41Å; D357-D365 PolarHBondContact O-N 3.38Å; R363-D365 PolarHBondContact O-N 3.35Å; D365-I367 PolarHBondContact O-N 2.92Å
366I86.3Confident84.9Confident29 Ų2958.4 Ų58.415%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-76.7129.7176.9-164.2167.9000109.9K298 Y356 Q369K298-I366 WeakPolarHBondContact CE-O 3.47Å; K298-I366 PolarHBondContact NZ-O 2.86Å; Y356-I366 HydrophobicContact CD1-CB 4.11Å; Y356-I366 HydrophobicContact CD1-CG1 4.36Å; Y356-I366 HydrophobicContact CE1-CB 3.85Å; Y356-I366 HydrophobicContact CE1-CD1 4.4Å; Y356-I366 HydrophobicContact CE1-CG1 4.07Å; I366-Q369 HydrophobicContact CD1-CG 4.14Å
367I90.7Very high84.5Confident0 Ų062.1 Ų62.10%030%0.302CS..EExtended strand (participates in β ladder)trans-89.3-44.1174.3-71.6172.2000109.4C269 L295 P296 K298 P306 V355 D357 D365C269-I367 HydrophobicContact CB-CG2 4.24Å; C269-I367 WeakPolarHBondContact CB-O 3.36Å; C269-I367 PolarHBondContact SG-O 3.02Å; L295-I367 HydrophobicContact CD1-CD1 4.48Å; L295-I367 HydrophobicContact CD2-CG2 4.22Å; P296-I367 HydrophobicContact CG-CG2 3.76Å; K298-I367 HydrophobicContact CG-CG1 4.08Å; P306-I367 HydrophobicContact CB-CD1 4.45Å; V355-I367 HydrophobicContact CB-CB 4.26Å; V355-I367 HydrophobicContact CB-CG2 4.4Å; V355-I367 HydrophobicContact CG1-CB 4.08Å; V355-I367 HydrophobicContact CG1-CD1 4.24Å; V355-I367 HydrophobicContact CG1-CG2 4.12Å; V355-I367 WeakPolarHBondContact O-CB 3.33Å; V355-I367 PolarHBondContact O-N 2.87Å; D357-I367 HydrophobicContact CB-CD1 4.2Å; D357-I367 HydrophobicContact CB-CG1 4.42Å; D365-I367 PolarHBondContact O-N 2.92Å
368G90.8Very high84.2Confident0 Ų062.9 Ų62.90%031%0.306CS..EExtended strand (participates in β ladder)trans165.8-168.9174.800000112.5V355 Q392V355-G368 PolarHBondContact N-O 3.25Å; V355-G368 PolarHBondContact O-N 3.04Å; G368-Q392 CarbonylContact C-O 3.58Å; G368-Q392 WeakPolarHBondContact CA-O 3.05Å
369Q91.9Very high83.5Confident41 Ų4163.9 Ų63.919%0.19233%0.325CS..EExtended strand (participates in β ladder)trans-133.7155.8-176.6-61.5179.218.500112.2H352 F353 I366 Q392 V394H352-Q369 PolarHBondContact CE1-OE1 3.04Å; H352-Q369 VanDerWaalsContact CE1-OE1 3.25Å; H352-Q369 PolarHBondContact NE2-OE1 3.08Å; F353-Q369 CarbonylContact O-C 3.5Å; F353-Q369 VanDerWaalsContact O-CA 3.23Å; F353-Q369 WeakPolarHBondContact O-CA 3.06Å; I366-Q369 HydrophobicContact CD1-CG 4.14Å; Q369-Q392 PolarHBondContact N-O 3.04Å; Q369-Q392 PolarHBondContact O-N 3.06Å; Q369-V394 HydrophobicContact CB-CG2 3.89Å; Q369-V394 HydrophobicContact CG-CB 4.39Å; Q369-V394 HydrophobicContact CG-CG2 3.72Å
370V93.6Very high83.6Confident5 Ų567.5 Ų67.53%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-132133.9168.31750000107.5L272 F274 F353 R389 I391L272-V370 HydrophobicContact CB-CG2 4.17Å; L272-V370 HydrophobicContact CD2-CG2 4.4Å; F274-V370 HydrophobicContact CE1-CG1 4.25Å; F274-V370 HydrophobicContact CZ-CG1 4.38Å; F353-V370 HydrophobicContact CB-CB 4.23Å; F353-V370 HydrophobicContact CD2-CB 3.91Å; F353-V370 HydrophobicContact CD2-CG1 3.9Å; F353-V370 HydrophobicContact CE2-CG1 4.44Å; F353-V370 PolarHBondContact N-O 3.5Å; F353-V370 PolarHBondContact O-N 3.19Å; V370-R389 HydrophobicContact CG1-CB 3.59Å; V370-R389 HydrophobicContact CG1-CG 3.98Å; V370-R389 HydrophobicContact CG2-CB 4.38Å; V370-I391 HydrophobicContact CG2-CB 4.37Å; V370-I391 HydrophobicContact CG2-CG1 3.91Å
371V91.6Very high83.9Confident61 Ų6159.7 Ų59.737%0.3732%0.315SS..EExtended strand (participates in β ladder)trans-121.4138.8176.2-1690000108.9K350K350-V371 HydrophobicContact CB-CG1 4.43Å
372V90.8Very high84.6Confident1 Ų152.9 Ų52.91%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-127.9115.7170.3-177.50000108.3F274 L276 K350 L351 F353 F375 L378 L387F274-V372 HydrophobicContact CE2-CG2 3.93Å; F274-V372 HydrophobicContact CZ-CG2 3.65Å; L276-V372 HydrophobicContact CD1-CG1 4.42Å; K350-V372 CarbonylContact C-O 3.52Å; L351-V372 HydrophobicContact CB-CB 4.48Å; L351-V372 PolarHBondContact N-O 2.84Å; L351-V372 PolarHBondContact O-N 3.47Å; F353-V372 HydrophobicContact CE2-CG2 4.31Å; V372-F375 HydrophobicContact CG1-CD1 4.23Å; V372-F375 HydrophobicContact CG1-CE1 4.2Å; V372-L378 HydrophobicContact CG1-CD1 4.03Å; V372-L387 HydrophobicContact CG2-CD1 4.46Å
373D88.4Confident85.8Confident65 Ų6558.7 Ų58.735%0.34830%0.299SS..  trans-109-177.2164.941.715.3000110.3K350 F375K350-D373 HydrophobicContact CB-CB 4.43Å; K350-D373 HydrophobicContact CD-CB 3.74Å; K350-D373 WeakPolarHBondContact CE-OD2 3.45Å; K350-D373 HydrophobicContact CG-CB 3.82Å; K350-D373 IonicContact NZ-OD2 2.7Å; K350-D373 PolarHBondContact NZ-OD2 3.45Å; D373-F375 PolarHBondContact O-N 2.93Å
374N84.3Confident86.8Confident79 Ų7957.6 Ų57.642%0.42230%0.299SS..  trans46.854.5177.4-65.825.3000113.7L376 D377N374-L376 PolarHBondContact O-N 2.77Å; N374-D377 HydrophobicContact CB-CB 4.12Å; N374-D377 VanDerWaalsContact CB-OD2 3.28Å; N374-D377 WeakPolarHBondContact CB-OD2 3.47Å; N374-D377 PolarHBondContact ND2-OD2 3.05Å; N374-D377 WeakPolarHBondContact O-CB 3.5Å; N374-D377 PolarHBondContact O-N 3.17Å
375F85.4Confident87.4Confident0 Ų054.6 Ų54.60%029%0.285CS..G310 helixtrans-54.3-29-176.5-54.6-82.6000114L276 L285 L312 L346 R349 L351 V372 D373 D377 L378 F381L276-F375 HydrophobicContact CD1-CD1 4.12Å; L276-F375 HydrophobicContact CD1-CE1 4.39Å; L285-F375 HydrophobicContact CD2-CE1 4.19Å; L285-F375 HydrophobicContact CD2-CZ 4.3Å; L312-F375 HydrophobicContact CD1-CZ 4.05Å; L346-F375 HydrophobicContact CB-CD2 4.29Å; L346-F375 HydrophobicContact CD2-CD2 4.46Å; L346-F375 WeakPolarHBondContact O-CD2 3.19Å; R349-F375 HydrophobicContact CB-CE2 4.04Å; R349-F375 WeakPolarHBondContact O-CE2 3.43Å; L351-F375 HydrophobicContact CB-CE1 3.65Å; L351-F375 HydrophobicContact CB-CZ 3.67Å; L351-F375 HydrophobicContact CD2-CE1 4.38Å; V372-F375 HydrophobicContact CG1-CD1 4.23Å; V372-F375 HydrophobicContact CG1-CE1 4.2Å; D373-F375 PolarHBondContact O-N 2.93Å; F375-D377 VanDerWaalsContact C-N 3.32Å; F375-L378 HydrophobicContact CB-CD1 4.46Å; F375-L378 HydrophobicContact CD1-CD1 4.43Å; F375-L378 WeakPolarHBondContact O-CB 3.2Å; F375-L378 WeakPolarHBondContact O-CG 3.45Å; F375-L378 PolarHBondContact O-N 3.31Å; F375-F381 HydrophobicContact CB-CD1 4.23Å; F375-F381 HydrophobicContact CB-CE1 3.89Å; F375-F381 HydrophobicContact CB-CE2 4.34Å; F375-F381 HydrophobicContact CB-CZ 3.94Å; F375-F381 WeakPolarHBondContact O-CB 3.39Å; F375-F381 WeakPolarHBondContact O-CD1 3.34Å; F375-F381 VanDerWaalsContact O-CG 3.26Å; F375-F381 WeakPolarHBondContact O-CG 3.41Å
376L84Confident88Confident76 Ų7657.8 Ų57.840%0.39830%0.296SS..G310 helixtrans-72.6-22.3179.3-52.3-172.1000113.4Y343 P347 N374 L378 F381Y343-L376 HydrophobicContact CE2-CD2 4.11Å; Y343-L376 WeakPolarHBondContact OH-CD2 3.2Å; P347-L376 HydrophobicContact CG-CD1 3.91Å; N374-L376 PolarHBondContact O-N 2.77Å; L376-L378 PolarHBondContact O-N 3.1Å; L376-F381 HydrophobicContact CD2-CD1 4.05Å; L376-F381 HydrophobicContact CD2-CE1 3.88Å
377D84.5Confident88.4Confident126 Ų12657.6 Ų57.667%0.67430%0.295SS*.G310 helixtrans-81.5-5.5177.1-58.5-3.9000111.6N374 F375N374-D377 HydrophobicContact CB-CB 4.12Å; N374-D377 VanDerWaalsContact CB-OD2 3.28Å; N374-D377 WeakPolarHBondContact CB-OD2 3.47Å; N374-D377 PolarHBondContact ND2-OD2 3.05Å; N374-D377 WeakPolarHBondContact O-CB 3.5Å; N374-D377 PolarHBondContact O-N 3.17Å; F375-D377 VanDerWaalsContact C-N 3.32Å
378L85.9Confident88.6Confident22 Ų2260.4 Ų60.412%0.11531%0.314CS..SBendtrans-81.6128.3-179-58.3174000111L276 V372 F375 L376 D380 F381 T385 L387L276-L378 HydrophobicContact CD1-CD1 3.94Å; V372-L378 HydrophobicContact CG1-CD1 4.03Å; F375-L378 HydrophobicContact CB-CD1 4.46Å; F375-L378 HydrophobicContact CD1-CD1 4.43Å; F375-L378 WeakPolarHBondContact O-CB 3.2Å; F375-L378 WeakPolarHBondContact O-CG 3.45Å; F375-L378 PolarHBondContact O-N 3.31Å; L376-L378 PolarHBondContact O-N 3.1Å; L378-D380 PolarHBondContact O-N 3.39Å; L378-F381 HydrophobicContact CB-CB 4.04Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.92Å; L378-T385 HydrophobicContact CB-CG2 4.28Å; L378-L387 HydrophobicContact CD1-CD1 4.16Å; L378-L387 HydrophobicContact CD2-CD2 4.46Å
379A75.8Confident88.9Confident77 Ų7765.6 Ų65.664%0.63633%0.334SS*.THydrogen-bonded Turntrans-51.4142.3170.500000111.7F381 T385A379-F381 PolarHBondContact O-N 2.9Å; A379-T385 WeakPolarHBondContact O-CG2 3.26Å; A379-T385 PolarHBondContact O-OG1 2.78Å; A379-T385 VanDerWaalsContact O-OG1 3.04Å
380D84.4Confident89Confident122 Ų12270.8 Ų70.865%0.65236%0.358SS*.THydrogen-bonded Turntrans62.7-7.1-176.4-55.7-52.3000117.1L378 R383L378-D380 PolarHBondContact O-N 3.39Å; D380-R383 CarbonylContact O-C 3.47Å; D380-R383 VanDerWaalsContact O-CA 3.27Å; D380-R383 WeakPolarHBondContact O-CA 3.42Å; D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 3.3Å
381F86.9Confident89.1Confident24 Ų2470.7 Ų70.711%0.10536%0.357CS..THydrogen-bonded Turntrans-69.6143.1174.9-166.9-95.1000109.8F278 L285 Y343 L346 F375 L376 L378 A379 T385F278-F381 HydrophobicContact CB-CE1 4.48Å; F278-F381 HydrophobicContact CB-CE2 4.17Å; F278-F381 HydrophobicContact CB-CZ 3.77Å; L285-F381 HydrophobicContact CD1-CE2 3.97Å; L285-F381 HydrophobicContact CD1-CZ 4.19Å; Y343-F381 HydrophobicContact CE2-CE1 4.46Å; L346-F381 HydrophobicContact CD1-CE1 4.02Å; L346-F381 HydrophobicContact CD1-CZ 3.99Å; F375-F381 HydrophobicContact CB-CD1 4.23Å; F375-F381 HydrophobicContact CB-CE1 3.89Å; F375-F381 HydrophobicContact CB-CE2 4.34Å; F375-F381 HydrophobicContact CB-CZ 3.94Å; F375-F381 WeakPolarHBondContact O-CB 3.39Å; F375-F381 WeakPolarHBondContact O-CD1 3.34Å; F375-F381 VanDerWaalsContact O-CG 3.26Å; F375-F381 WeakPolarHBondContact O-CG 3.41Å; L376-F381 HydrophobicContact CD2-CD1 4.05Å; L376-F381 HydrophobicContact CD2-CE1 3.88Å; L378-F381 HydrophobicContact CB-CB 4.04Å; L378-F381 WeakPolarHBondContact O-CB 3.47Å; L378-F381 PolarHBondContact O-N 2.92Å; A379-F381 PolarHBondContact O-N 2.9Å; F381-T385 WeakPolarHBondContact CA-OG1 3.4Å; F381-T385 PolarHBondContact N-OG1 3.5Å
382P84.4Confident89Confident34 Ų3474.1 Ų74.122%0.22137%0.369CS..THydrogen-bonded Turncis-79.874.831-36.1000117F278 Y343F278-P382 HydrophobicContact CB-CB 3.8Å; F278-P382 PolarHBondContact N-O 3.46Å; Y343-P382 HydrophobicContact CE2-CB 4.38Å
383R89.1Confident88.6Confident200 Ų20081.2 Ų81.276%0.75540%0.397SS*.SBendtrans-76.1-165.2177.1-47-176.8175-155.3-1.8110.7L276 D380 T385L276-R383 VanDerWaalsContact O-O 3.09Å; D380-R383 CarbonylContact O-C 3.47Å; D380-R383 VanDerWaalsContact O-CA 3.27Å; D380-R383 WeakPolarHBondContact O-CA 3.42Å; D380-R383 WeakPolarHBondContact O-CB 3.44Å; D380-R383 PolarHBondContact O-N 3.3Å; R383-T385 VanDerWaalsContact C-N 3.34Å; R383-T385 PolarHBondContact O-N 2.87Å
384E92Very high87.6Confident105 Ų10579.5 Ų79.549%0.49139%0.388SS..  trans-74.579-175.1-166.2-167.5129.800112.8I275 L276 K386I275-E384 HydrophobicContact CG2-CG 3.37Å; L276-E384 CarbonylContact O-C 3.6Å; L276-E384 WeakPolarHBondContact O-CA 3.48Å; E384-K386 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact OE1-CE 3.3Å; E384-K386 WeakPolarHBondContact OE1-CE 3.45Å; E384-K386 IonicContact OE1-NZ 3.04Å; E384-K386 PolarHBondContact OE1-NZ 2.89Å
385T93.4Very high86.3Confident5 Ų577 Ų773%0.03138%0.377CS..EExtended strand (participates in β ladder)trans-75.7114.9176.3-55.90000111.1I275 L276 L378 A379 F381 R383 L387I275-T385 WeakPolarHBondContact CA-O 3.28Å; I275-T385 WeakPolarHBondContact CG2-O 3.18Å; L276-T385 PolarHBondContact N-O 2.9Å; L276-T385 PolarHBondContact O-N 2.88Å; L378-T385 HydrophobicContact CB-CG2 4.28Å; A379-T385 WeakPolarHBondContact O-CG2 3.26Å; A379-T385 PolarHBondContact O-OG1 2.78Å; A379-T385 VanDerWaalsContact O-OG1 3.04Å; F381-T385 WeakPolarHBondContact CA-OG1 3.4Å; F381-T385 PolarHBondContact N-OG1 3.5Å; R383-T385 VanDerWaalsContact C-N 3.34Å; R383-T385 PolarHBondContact O-N 2.87Å; T385-L387 HydrophobicContact CG2-CD2 3.89Å; T385-L387 HydrophobicContact CG2-CG 3.98Å
386K94.6Very high84.8Confident141 Ų14179.4 Ų79.461%0.61339%0.394SS*.EExtended strand (participates in β ladder)trans-91.6122.4174.8-63.3-177.2177.661.60110.4I275 E384I275-K386 HydrophobicContact CD1-CG 4.19Å; I275-K386 HydrophobicContact CG1-CG 4.15Å; I275-K386 HydrophobicContact CG2-CG 4.16Å; E384-K386 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact OE1-CE 3.3Å; E384-K386 WeakPolarHBondContact OE1-CE 3.45Å; E384-K386 IonicContact OE1-NZ 3.04Å; E384-K386 PolarHBondContact OE1-NZ 2.89Å
387L94.6Very high83.1Confident25 Ų2582.1 Ų82.113%0.13141%0.409CS..EExtended strand (participates in β ladder)trans-118.2138.7-177.9-65.4177.7000112.1H273 F274 L276 V372 L378 T385H273-L387 WeakPolarHBondContact CA-O 3.37Å; F274-L387 HydrophobicContact CD1-CB 4.44Å; F274-L387 HydrophobicContact CD2-CB 4.22Å; F274-L387 HydrophobicContact CD2-CD1 4.36Å; F274-L387 HydrophobicContact CE1-CB 4.05Å; F274-L387 HydrophobicContact CE2-CB 3.83Å; F274-L387 HydrophobicContact CE2-CD1 3.5Å; F274-L387 VanDerWaalsContact CE2-CD1 3.5Å; F274-L387 HydrophobicContact CE2-CG 4.26Å; F274-L387 HydrophobicContact CZ-CB 3.73Å; F274-L387 HydrophobicContact CZ-CD1 3.8Å; F274-L387 HydrophobicContact CZ-CG 4.43Å; F274-L387 PolarHBondContact N-O 2.88Å; F274-L387 PolarHBondContact O-N 3.31Å; F274-L387 VanDerWaalsContact O-O 3.1Å; L276-L387 HydrophobicContact CD1-CD1 3.78Å; L276-L387 HydrophobicContact CG-CD1 4.22Å; V372-L387 HydrophobicContact CG2-CD1 4.46Å; L378-L387 HydrophobicContact CD1-CD1 4.16Å; L378-L387 HydrophobicContact CD2-CD2 4.46Å; T385-L387 HydrophobicContact CG2-CD2 3.89Å; T385-L387 HydrophobicContact CG2-CG 3.98Å
388C95.1Very high81.4Confident60 Ų6082.6 Ų82.641%0.40541%0.411SS..EExtended strand (participates in β ladder)trans-117.8129.2160.6-176.10000107.4L272 H273L272-C388 WeakPolarHBondContact O-CA 3.49Å; H273-C388 VanDerWaalsContact CE1-SG 3.5Å; H273-C388 PolarHBondContact NE2-SG 3.16Å
389R95.3Very high80.3Confident109 Ų10984.1 Ų84.141%0.41142%0.422SS..EExtended strand (participates in β ladder)trans-133.5139.9176.5-63.6-66.7-172.3163.22.7109.4R271 L272 F274 V370R271-R389 CarbonylContact C-O 3.52Å; R271-R389 WeakPolarHBondContact CA-O 3.42Å; L272-R389 PolarHBondContact N-O 3.25Å; L272-R389 PolarHBondContact O-N 2.82Å; F274-R389 HydrophobicContact CE1-CB 4.18Å; F274-R389 HydrophobicContact CE1-CG 3.89Å; F274-R389 HydrophobicContact CZ-CG 3.9Å; V370-R389 HydrophobicContact CG1-CB 3.59Å; V370-R389 HydrophobicContact CG1-CG 3.98Å; V370-R389 HydrophobicContact CG2-CB 4.38Å
390E95.3Very high80.3Confident150 Ų15085.2 Ų85.270%0.70142%0.417SS*.EExtended strand (participates in β ladder)trans-66.2137.1171.2-61.6-171.815600110R271 Q392R271-E390 HydrophobicContact CG-CG 4.44Å; E390-Q392 PolarHBondContact O-N 3.34Å
391I94.4Very high80.5Confident3 Ų379.9 Ų79.92%0.01539%0.388CS..  trans-80.7114177.2-62.1163.9000107.1C269 G270 L272 L295 V355 V370C269-I391 HydrophobicContact CB-CB 4.16Å; C269-I391 HydrophobicContact CB-CG2 3.88Å; C269-I391 WeakPolarHBondContact CB-O 3.25Å; C269-I391 PolarHBondContact N-O 3.45Å; C269-I391 WeakPolarHBondContact O-CD1 3.35Å; G270-I391 PolarHBondContact O-N 2.89Å; L272-I391 HydrophobicContact CB-CD1 4.23Å; L272-I391 HydrophobicContact CB-CG1 4.04Å; L295-I391 HydrophobicContact CD2-CD1 3.38Å; V355-I391 HydrophobicContact CG2-CD1 4.02Å; V355-I391 HydrophobicContact CG2-CG1 4.33Å; V355-I391 HydrophobicContact CG2-CG2 4.35Å; V370-I391 HydrophobicContact CG2-CB 4.37Å; V370-I391 HydrophobicContact CG2-CG1 3.91Å
392Q89.6Confident80.7Confident133 Ų13378.8 Ų78.862%0.62138%0.384SS*.BIsolated β-bridgetrans-74.4129.8179.3-62-177.54.100109.2G368 Q369 E390 V394G368-Q392 CarbonylContact C-O 3.58Å; G368-Q392 WeakPolarHBondContact CA-O 3.05Å; Q369-Q392 PolarHBondContact N-O 3.04Å; Q369-Q392 PolarHBondContact O-N 3.06Å; E390-Q392 PolarHBondContact O-N 3.34Å; Q392-V394 PolarHBondContact O-N 2.92Å
393Y82.1Confident81Confident150 Ų15078.6 Ų78.659%0.58838%0.381SS*.  trans-64.8125.2170.8-173-119.4000109.2C269C269-Y393 VanDerWaalsContact SG-CB 3.54Å; C269-Y393 VanDerWaalsContact SG-CD2 3.53Å
394V67.5Low81.4Confident28 Ų2869.1 Ų69.117%0.1735%0.345CS..  trans-112.4103.1170.8179.10000106.9Q369 Q392Q369-V394 HydrophobicContact CB-CG2 3.89Å; Q369-V394 HydrophobicContact CG-CB 4.39Å; Q369-V394 HydrophobicContact CG-CG2 3.72Å; Q392-V394 PolarHBondContact O-N 2.92Å
395S57.4Low81.7Confident26 Ų2665.8 Ų65.818%0.18233%0.33CS..  trans-65.614316569.70000109.2D397 N398S395-D397 WeakPolarHBondContact CB-OD2 3.34Å; S395-D397 PolarHBondContact O-N 2.74Å; S395-D397 PolarHBondContact OG-OD2 3.06Å; S395-N398 PolarHBondContact O-N 3.42Å
396S53.5Low81.9Confident51 Ų5165.5 Ų65.536%0.35733%0.328SS..G310 helixtrans-56.5-20.8-178.7-74.40000113.4N398 V399 E537S396-N398 PolarHBondContact O-N 3.17Å; S396-N398 VanDerWaalsContact O-N 3.15Å; S396-V399 PolarHBondContact O-N 2.92Å; S396-E537 VanDerWaalsContact CB-OE2 3.28Å; S396-E537 WeakPolarHBondContact CB-OE2 3.33Å; S396-E537 PolarHBondContact OG-OE2 2.91Å
397D48.9Very low82.1Confident133 Ų13359.4 Ų59.471%0.71130%0.303SS*.G310 helixtrans-59.2-22.7-178.9-33.1-55.4000113.8S395S395-D397 WeakPolarHBondContact CB-OD2 3.34Å; S395-D397 PolarHBondContact O-N 2.74Å; S395-D397 PolarHBondContact OG-OD2 3.06Å
398N49.3Very low82.3Confident136 Ų13658.2 Ų58.273%0.72730%0.297SS*.G310 helixtrans-100.914.3-178-76.6-66.8000114.4S395 S396S395-N398 PolarHBondContact O-N 3.42Å; S396-N398 PolarHBondContact O-N 3.17Å; S396-N398 VanDerWaalsContact O-N 3.15Å
399V63.3Low82.4Confident55 Ų5556.1 Ų56.133%0.33328%0.283SS..  trans-88.9111.2167.7-172.30000108.7S396 L401 K428S396-V399 PolarHBondContact O-N 2.92Å; V399-L401 HydrophobicContact CB-CD2 4.21Å; V399-L401 HydrophobicContact CG1-CD2 3.62Å; V399-L401 HydrophobicContact CG1-CG 4.47Å; V399-L401 PolarHBondContact O-N 2.9Å; V399-K428 HydrophobicContact CG1-CD 4.25Å
400D75.1Confident82.5Confident100 Ų10051.2 Ų51.254%0.53527%0.265SS..  trans-62.7111.3166.9-174.36.2000109.1G402D400-G402 WeakPolarHBondContact OD1-CA 3.28Å; D400-G402 PolarHBondContact OD1-N 2.74Å
401L88.6Confident82.6Confident10 Ų1046.5 Ų46.55%0.05224%0.244CC..  trans-96.6-2.8175.3-56.2179000111.9V399 L427 K428 L535 E537V399-L401 HydrophobicContact CB-CD2 4.21Å; V399-L401 HydrophobicContact CG1-CD2 3.62Å; V399-L401 HydrophobicContact CG1-CG 4.47Å; V399-L401 PolarHBondContact O-N 2.9Å; L401-L427 WeakPolarHBondContact O-CA 3.4Å; L401-K428 HydrophobicContact CD2-CB 4.22Å; L401-K428 HydrophobicContact CD2-CD 3.52Å; L401-K428 PolarHBondContact O-N 2.81Å; L401-L535 HydrophobicContact CB-CB 3.87Å; L401-E537 HydrophobicContact CD1-CB 4.41Å
402G90.2Very high82.6Confident1 Ų148.6 Ų48.61%0.0126%0.257CS..  trans93.7168.8-17300000114D400 R425 N426 L535D400-G402 WeakPolarHBondContact OD1-CA 3.28Å; D400-G402 PolarHBondContact OD1-N 2.74Å; G402-R425 CarbonylContact C-O 3.04Å; G402-R425 WeakPolarHBondContact CA-O 3.37Å; G402-N426 VanDerWaalsContact CA-O 3.27Å; G402-N426 WeakPolarHBondContact CA-O 3.41Å; G402-N426 PolarHBondContact N-O 2.92Å; G402-L535 VanDerWaalsContact O-CB 3.26Å; G402-L535 WeakPolarHBondContact O-CB 3.21Å; G402-L535 VanDerWaalsContact O-CG 3.26Å; G402-L535 WeakPolarHBondContact O-CG 3.47Å; G402-L535 PolarHBondContact O-N 3.44Å
403D92Very high82.8Confident30 Ų3049 Ų4916%0.1627%0.269CS..EExtended strand (participates in β ladder)trans-104.6147.7171.5-57-69.3000111.1A424 R425 W532 H533 P534D403-A424 CarbonylContact O-C 3.57Å; D403-A424 WeakPolarHBondContact O-CA 3.49Å; D403-A424 VanDerWaalsContact O-CB 3.31Å; D403-A424 WeakPolarHBondContact O-CB 3.22Å; D403-R425 HydrophobicContact CB-CG 4.05Å; D403-R425 PolarHBondContact N-O 3.34Å; D403-R425 PolarHBondContact O-N 2.89Å; D403-R425 IonicContact OD2-CZ 2.75Å; D403-R425 IonicContact OD2-NE 3.71Å; D403-R425 PolarHBondContact OD2-NE 2.8Å; D403-R425 IonicContact OD2-NH2 3.72Å; D403-R425 PolarHBondContact OD2-NH2 2.86Å; D403-W532 HydrophobicContact CB-CD2 4.4Å; D403-W532 HydrophobicContact CB-CE3 3.48Å; D403-W532 VanDerWaalsContact CB-CE3 3.48Å; D403-W532 HydrophobicContact CB-CZ3 3.96Å; D403-H533 WeakPolarHBondContact CA-O 3.45Å; D403-P534 WeakPolarHBondContact OD1-CA 3.18Å
404L97.6Very high83.5Confident0 Ų044.1 Ų44.10%026%0.26CS..EExtended strand (participates in β ladder)trans-114.7126.4171.6-179.169.8000110.8F406 M421 A424 V440 I487 V489 H533 L535L404-F406 HydrophobicContact CD2-CD1 4.07Å; L404-F406 HydrophobicContact CD2-CE1 4.46Å; L404-F406 HydrophobicContact CG-CD1 4.08Å; L404-M421 HydrophobicContact CD1-SD 4.47Å; L404-M421 HydrophobicContact CD2-SD 4.13Å; L404-A424 HydrophobicContact CD1-CB 3.87Å; L404-V440 HydrophobicContact CD1-CG2 4.03Å; L404-V440 HydrophobicContact CD2-CG1 4.08Å; L404-I487 HydrophobicContact CD2-CG2 3.46Å; L404-I487 VanDerWaalsContact CD2-CG2 3.46Å; L404-V489 HydrophobicContact CD1-CG2 4.23Å; L404-V489 HydrophobicContact CD2-CG2 4.02Å; L404-V489 HydrophobicContact CG-CG2 4.49Å; L404-H533 PolarHBondContact N-O 3.42Å; L404-H533 PolarHBondContact O-N 3.45Å; L404-L535 HydrophobicContact CB-CD2 4.04Å; L404-L535 HydrophobicContact CB-CG 4.42Å
405M97.9Very high84.8Confident35 Ų3543.5 Ų43.517%0.17226%0.259CS..EExtended strand (participates in β ladder)trans-100.2125.9172.8-155.117579.300111.1I422 Q423 H531 W532M405-I422 HydrophobicContact CE-CB 3.87Å; M405-I422 HydrophobicContact CE-CD1 3.8Å; M405-I422 HydrophobicContact CE-CG1 4.44Å; M405-I422 HydrophobicContact CE-CG2 3.46Å; M405-I422 VanDerWaalsContact CE-CG2 3.46Å; M405-I422 WeakPolarHBondContact O-CB 3.4Å; M405-I422 PolarHBondContact O-N 2.84Å; M405-Q423 WeakPolarHBondContact CA-O 3.42Å; M405-Q423 HydrophobicContact CB-CG 3.97Å; M405-Q423 HydrophobicContact CE-CG 4.14Å; M405-Q423 PolarHBondContact N-O 3.49Å; M405-Q423 PolarHBondContact O-N 2.89Å; M405-H531 WeakPolarHBondContact CA-O 3.42Å; M405-W532 HydrophobicContact CB-CD2 3.72Å; M405-W532 HydrophobicContact CB-CE3 3.59Å; M405-W532 HydrophobicContact CB-CG 4.41Å; M405-W532 HydrophobicContact CB-CH2 3.99Å; M405-W532 HydrophobicContact CB-CZ2 4.09Å; M405-W532 HydrophobicContact CB-CZ3 3.73Å; M405-W532 HydrophobicContact CG-CD2 3.89Å; M405-W532 HydrophobicContact CG-CE3 4.29Å; M405-W532 HydrophobicContact CG-CG 4.17Å; M405-W532 HydrophobicContact CG-CZ2 4.36Å; M405-W532 HydrophobicContact SD-CD2 4.08Å; M405-W532 HydrophobicContact SD-CG 4.44Å; M405-W532 HydrophobicContact SD-CH2 4.49Å; M405-W532 HydrophobicContact SD-CZ2 3.71Å; M405-W532 PolarHBondContact SD-NE1 2.96Å; M405-W532 VanDerWaalsContact SD-NE1 3.41Å
406F98.5Very high86.7Confident0 Ų047.8 Ų47.80%027%0.271CS..EExtended strand (participates in β ladder)trans-144.8159.417458-88.4000111.3L404 L408 I419 T420 M421 I487 V506 H517 A530 H531 H533L404-F406 HydrophobicContact CD2-CD1 4.07Å; L404-F406 HydrophobicContact CD2-CE1 4.46Å; L404-F406 HydrophobicContact CG-CD1 4.08Å; F406-L408 HydrophobicContact CD2-CD2 4.15Å; F406-L408 HydrophobicContact CD2-CG 4.19Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 4.1Å; F406-L408 HydrophobicContact CE2-CG 4.07Å; F406-I419 HydrophobicContact CB-CG1 4.42Å; F406-I419 HydrophobicContact CD2-CD1 3.7Å; F406-I419 HydrophobicContact CD2-CG1 3.98Å; F406-I419 HydrophobicContact CE2-CD1 4.12Å; F406-I419 HydrophobicContact CG-CD1 4.26Å; F406-I419 HydrophobicContact CG-CG1 4.49Å; F406-T420 CarbonylContact C-O 3.5Å; F406-T420 WeakPolarHBondContact CA-O 3.23Å; F406-T420 WeakPolarHBondContact CB-O 3.15Å; F406-M421 HydrophobicContact CB-CE 3.43Å; F406-M421 VanDerWaalsContact CB-CE 3.43Å; F406-M421 HydrophobicContact CB-SD 4.39Å; F406-M421 HydrophobicContact CD1-CE 4.26Å; F406-M421 HydrophobicContact CD2-CE 4.41Å; F406-M421 HydrophobicContact CG-CE 3.81Å; F406-I487 HydrophobicContact CD1-CD1 4.2Å; F406-I487 HydrophobicContact CD2-CD1 4.25Å; F406-I487 HydrophobicContact CE1-CD1 3.73Å; F406-I487 HydrophobicContact CE2-CD1 3.78Å; F406-I487 HydrophobicContact CG-CD1 4.45Å; F406-I487 HydrophobicContact CZ-CD1 3.51Å; F406-V506 HydrophobicContact CE2-CG2 3.83Å; F406-V506 HydrophobicContact CZ-CG2 3.5Å; F406-H517 AromaticContact CD2-CE1 3.6Å; F406-H517 AromaticContact CE2-CE1 3.34Å; F406-H517 WeakPolarHBondContact CE2-CE1 3.44Å; F406-H517 AromaticContact CE2-ND1 3.37Å; F406-H517 WeakPolarHBondContact CE2-ND1 3.34Å; F406-H517 AromaticContact CZ-ND1 3.8Å; F406-H517 PolarHBondContact O-CE1 2.95Å; F406-A530 WeakPolarHBondContact O-CA 3.39Å; F406-H531 PolarHBondContact N-O 3.19Å; F406-H531 PolarHBondContact O-N 2.89Å; F406-H531 VanDerWaalsContact O-N 3.15Å; F406-H533 HydrophobicContact CE1-CB 3.94Å; F406-H533 AromaticContact CE1-CD2 3.4Å; F406-H533 VanDerWaalsContact CE1-CD2 3.4Å; F406-H533 WeakPolarHBondContact CE1-CD2 3.24Å; F406-H533 AromaticContact CE1-CG 3.6Å; F406-H533 HydrophobicContact CZ-CB 4.48Å; F406-H533 AromaticContact CZ-CD2 3.38Å; F406-H533 WeakPolarHBondContact CZ-CD2 3.33Å; F406-H533 AromaticContact CZ-CG 3.69Å; F406-H533 AromaticContact CZ-NE2 3.68Å
407S98.4Very high88.8Confident12 Ų1245.4 Ų45.48%0.08425%0.254CS..EExtended strand (participates in β ladder)trans-110.8144.2171.369.60000112.4I419 T420 V529S407-I419 CarbonylContact O-C 3.4Å; S407-I419 VanDerWaalsContact O-CA 3.3Å; S407-I419 WeakPolarHBondContact O-CA 3.38Å; S407-T420 PolarHBondContact N-O 3.44Å; S407-T420 PolarHBondContact O-N 3.42Å; S407-T420 VanDerWaalsContact OG-CB 3.24Å; S407-T420 WeakPolarHBondContact OG-CB 3.19Å; S407-T420 PolarHBondContact OG-OG1 2.89Å; S407-V529 CarbonylContact C-O 3.39Å; S407-V529 WeakPolarHBondContact CA-O 3.47Å; S407-V529 WeakPolarHBondContact CB-O 3.41Å
408L98.1Very high91.1Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-111.2140.4172.5-61.5172.9000110.5F406 I419 L485 V506 H517 W518 M521 P528 V529F406-L408 HydrophobicContact CD2-CD2 4.15Å; F406-L408 HydrophobicContact CD2-CG 4.19Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 4.1Å; F406-L408 HydrophobicContact CE2-CG 4.07Å; L408-I419 HydrophobicContact CD2-CB 3.94Å; L408-I419 HydrophobicContact CD2-CD1 3.74Å; L408-I419 HydrophobicContact CD2-CG1 3.77Å; L408-L485 HydrophobicContact CD2-CD1 4.08Å; L408-V506 HydrophobicContact CD1-CG1 3.63Å; L408-H517 HydrophobicContact CD1-CB 4.41Å; L408-W518 HydrophobicContact CD1-CE3 4.24Å; L408-M521 HydrophobicContact CB-CB 3.99Å; L408-M521 HydrophobicContact CB-CG 3.77Å; L408-M521 HydrophobicContact CB-SD 3.68Å; L408-M521 HydrophobicContact CD1-CB 4.43Å; L408-M521 HydrophobicContact CD1-SD 4.32Å; L408-M521 HydrophobicContact CG-SD 4.45Å; L408-P528 WeakPolarHBondContact O-CA 3.5Å; L408-V529 HydrophobicContact CB-CG2 4.2Å; L408-V529 PolarHBondContact N-O 3.26Å; L408-V529 WeakPolarHBondContact O-CG2 3.37Å; L408-V529 PolarHBondContact O-N 3.4Å
409C97.9Very high93.4Very high16 Ų1634 Ų3411%0.10819%0.194CC..EExtended strand (participates in β ladder)trans-147.1119.9172.9-176.50000109.9T418 R526 P528C409-T418 PolarHBondContact N-O 2.92Å; C409-T418 PolarHBondContact O-N 2.85Å; C409-R526 PolarHBondContact SG-O 2.97Å; C409-P528 HydrophobicContact CB-CB 4.34Å
410Y97.5Very high95.1Very high7 Ų733.1 Ų33.13%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-105.6134.9175.3-170.9-125.5000111.7P412 R416 L417 V475 P477 I480 L522 R526Y410-P412 HydrophobicContact CD1-CB 4.46Å; Y410-P412 HydrophobicContact CD1-CG 3.72Å; Y410-P412 HydrophobicContact CE1-CB 3.93Å; Y410-P412 HydrophobicContact CE1-CG 3.68Å; Y410-R416 VanDerWaalsContact CD2-O 3.26Å; Y410-R416 WeakPolarHBondContact CD2-O 3.34Å; Y410-L417 HydrophobicContact CD2-CB 4.01Å; Y410-L417 HydrophobicContact CD2-CD1 4.43Å; Y410-L417 HydrophobicContact CE2-CB 4.46Å; Y410-V475 HydrophobicContact CE2-CB 4.29Å; Y410-V475 WeakPolarHBondContact CE2-O 3.03Å; Y410-V475 PolarHBondContact OH-O 3.22Å; Y410-P477 WeakPolarHBondContact OH-CA 3.35Å; Y410-P477 WeakPolarHBondContact OH-CD 3.21Å; Y410-P477 WeakPolarHBondContact OH-CG 3.3Å; Y410-I480 HydrophobicContact CD1-CD1 4.18Å; Y410-I480 HydrophobicContact CD1-CG1 4.23Å; Y410-I480 HydrophobicContact CD2-CD1 3.97Å; Y410-I480 HydrophobicContact CE1-CB 4.48Å; Y410-I480 HydrophobicContact CE1-CD1 3.98Å; Y410-I480 HydrophobicContact CE1-CG1 3.94Å; Y410-I480 HydrophobicContact CE2-CD1 3.79Å; Y410-I480 HydrophobicContact CG-CD1 4.19Å; Y410-L522 HydrophobicContact CD1-CD2 4.16Å; Y410-R526 PolarHBondContact O-N 3.44Å
411L96.8Very high96.2Very high51 Ų5128.3 Ų28.327%0.26716%0.164SC..EExtended strand (participates in β ladder)trans-11791.2174.5-77.170000108.5T413 A414 G415 R416 R526L411-T413 PolarHBondContact O-N 2.77Å; L411-A414 HydrophobicContact CB-CB 4.14Å; L411-A414 PolarHBondContact O-N 2.91Å; L411-A414 VanDerWaalsContact O-N 3.12Å; L411-G415 PolarHBondContact O-N 2.92Å; L411-G415 VanDerWaalsContact O-N 3.15Å; L411-R416 HydrophobicContact CB-CB 4.34Å; L411-R416 PolarHBondContact N-O 2.91Å; L411-R416 PolarHBondContact O-N 2.97Å; L411-R416 VanDerWaalsContact O-N 3.17Å; L411-R526 HydrophobicContact CG-CG 4.2Å
412P95Very high96.7Very high46 Ų4629.4 Ų29.430%0.29917%0.169SC..G310 helixtrans-55.6-47-177-2531.5000113.1Y410 A414 G415 P477 P525Y410-P412 HydrophobicContact CD1-CB 4.46Å; Y410-P412 HydrophobicContact CD1-CG 3.72Å; Y410-P412 HydrophobicContact CE1-CB 3.93Å; Y410-P412 HydrophobicContact CE1-CG 3.68Å; P412-A414 PolarHBondContact O-N 2.81Å; P412-A414 VanDerWaalsContact O-N 3.1Å; P412-G415 PolarHBondContact O-N 3Å; P412-P477 HydrophobicContact CB-CG 3.98Å; P412-P477 WeakPolarHBondContact O-CG 3.31Å; P412-P525 HydrophobicContact CG-CB 4.28Å
413T94.3Very high97.1Very high141 Ų14132.4 Ų32.487%0.86518%0.183SC*.G310 helixtrans-60.6-22-179.1-400000114L411L411-T413 PolarHBondContact O-N 2.77Å
414A94.9Very high97.3Very high49 Ų4931.1 Ų31.141%0.40518%0.177SC..G310 helixtrans-109.25179.100000112.8L411 P412 R416L411-A414 HydrophobicContact CB-CB 4.14Å; L411-A414 PolarHBondContact O-N 2.91Å; L411-A414 VanDerWaalsContact O-N 3.12Å; P412-A414 PolarHBondContact O-N 2.81Å; P412-A414 VanDerWaalsContact O-N 3.1Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 HydrophobicContact CB-CB 4.19Å; A414-R416 PolarHBondContact O-N 2.86Å
415G95.8Very high97Very high14 Ų1435.8 Ų35.814%0.14419%0.194CC..THydrogen-bonded Turntrans5044.2-173.900000112.7L411 P412 D474 V475L411-G415 PolarHBondContact O-N 2.92Å; L411-G415 VanDerWaalsContact O-N 3.15Å; P412-G415 PolarHBondContact O-N 3Å; G415-D474 CarbonylContact O-C 3.55Å; G415-D474 WeakPolarHBondContact O-CA 3.4Å; G415-V475 CarbonylContact C-O 3.53Å; G415-V475 WeakPolarHBondContact CA-O 3.2Å; G415-V475 CarbonylContact O-C 3.54Å; G415-V475 PolarHBondContact O-N 2.87Å
416R96.6Very high96.4Very high117 Ų11738.5 Ų38.544%0.44221%0.21SC..EExtended strand (participates in β ladder)trans-131.3117.1-164.9-166.9-178.9-56.7167.17113.2Y410 L411 A414 V472Y410-R416 VanDerWaalsContact CD2-O 3.26Å; Y410-R416 WeakPolarHBondContact CD2-O 3.34Å; L411-R416 HydrophobicContact CB-CB 4.34Å; L411-R416 PolarHBondContact N-O 2.91Å; L411-R416 PolarHBondContact O-N 2.97Å; L411-R416 VanDerWaalsContact O-N 3.17Å; A414-R416 VanDerWaalsContact C-N 3.26Å; A414-R416 HydrophobicContact CB-CB 4.19Å; A414-R416 PolarHBondContact O-N 2.86Å; R416-V472 HydrophobicContact CG-CG1 3.55Å
417L97.6Very high96Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-101115.1171.617661.5000109.4Y410 F473 V475 I483 L485 W518 M521Y410-L417 HydrophobicContact CD2-CB 4.01Å; Y410-L417 HydrophobicContact CD2-CD1 4.43Å; Y410-L417 HydrophobicContact CE2-CB 4.46Å; L417-F473 HydrophobicContact CB-CB 4.44Å; L417-F473 PolarHBondContact N-O 2.85Å; L417-F473 PolarHBondContact O-N 2.92Å; L417-V475 HydrophobicContact CB-CB 4.43Å; L417-V475 HydrophobicContact CB-CG2 4.03Å; L417-V475 HydrophobicContact CD2-CG2 4.27Å; L417-I483 HydrophobicContact CD2-CD1 3.99Å; L417-L485 HydrophobicContact CD2-CD1 4.27Å; L417-L485 HydrophobicContact CD2-CD2 4.23Å; L417-L485 HydrophobicContact CD2-CG 4.48Å; L417-W518 HydrophobicContact CD1-CH2 4.4Å; L417-W518 HydrophobicContact CD1-CZ3 4.26Å; L417-W518 HydrophobicContact CD2-CH2 3.71Å; L417-W518 HydrophobicContact CD2-CZ3 4.04Å; L417-M521 HydrophobicContact CD1-CE 4.23Å; L417-M521 HydrophobicContact CD1-SD 3.42Å; L417-M521 WeakPolarHBondContact CD1-SD 3.41Å
418T98.1Very high95.4Very high29 Ų2941.8 Ų41.818%0.17822%0.222CC..EExtended strand (participates in β ladder)trans-105128.7173.6-56.70000109.1C409 A470 V472C409-T418 PolarHBondContact N-O 2.92Å; C409-T418 PolarHBondContact O-N 2.85Å; T418-A470 HydrophobicContact CG2-CB 4.4Å; T418-V472 HydrophobicContact CG2-CG2 4.31Å
419I98.3Very high94.8Very high0 Ų042.9 Ų42.90%023%0.231CC..EExtended strand (participates in β ladder)trans-121.8118.8170.8-179.4172.4000109.5F406 S407 L408 M421 V442 I471 F473 L485 I487F406-I419 HydrophobicContact CB-CG1 4.42Å; F406-I419 HydrophobicContact CD2-CD1 3.7Å; F406-I419 HydrophobicContact CD2-CG1 3.98Å; F406-I419 HydrophobicContact CE2-CD1 4.12Å; F406-I419 HydrophobicContact CG-CD1 4.26Å; F406-I419 HydrophobicContact CG-CG1 4.49Å; S407-I419 CarbonylContact O-C 3.4Å; S407-I419 VanDerWaalsContact O-CA 3.3Å; S407-I419 WeakPolarHBondContact O-CA 3.38Å; L408-I419 HydrophobicContact CD2-CB 3.94Å; L408-I419 HydrophobicContact CD2-CD1 3.74Å; L408-I419 HydrophobicContact CD2-CG1 3.77Å; I419-M421 HydrophobicContact CD1-CE 3.39Å; I419-M421 HydrophobicContact CG1-CE 3.52Å; I419-V442 HydrophobicContact CG2-CG1 4.29Å; I419-I471 HydrophobicContact CG2-CB 3.96Å; I419-I471 HydrophobicContact CG2-CG2 4.11Å; I419-I471 PolarHBondContact N-O 3.01Å; I419-I471 PolarHBondContact O-N 2.89Å; I419-F473 HydrophobicContact CG2-CD2 4.38Å; I419-F473 HydrophobicContact CG2-CE2 4.09Å; I419-L485 HydrophobicContact CB-CD1 4.42Å; I419-L485 HydrophobicContact CD1-CD1 3.74Å; I419-L485 HydrophobicContact CG2-CD1 4.4Å; I419-I487 HydrophobicContact CD1-CD1 3.59Å; I419-I487 HydrophobicContact CD1-CG1 4.26Å
420T98.6Very high94Very high37 Ų3744.7 Ų44.723%0.22724%0.239CC..EExtended strand (participates in β ladder)trans-99.1114.5179.1-43.80000109.1F406 S407 I422F406-T420 CarbonylContact C-O 3.5Å; F406-T420 WeakPolarHBondContact CA-O 3.23Å; F406-T420 WeakPolarHBondContact CB-O 3.15Å; S407-T420 PolarHBondContact N-O 3.44Å; S407-T420 PolarHBondContact O-N 3.42Å; S407-T420 VanDerWaalsContact OG-CB 3.24Å; S407-T420 WeakPolarHBondContact OG-CB 3.19Å; S407-T420 PolarHBondContact OG-OG1 2.89Å; T420-I422 HydrophobicContact CG2-CG1 4.45Å; T420-I422 PolarHBondContact O-N 2.92Å
421M98.5Very high92.9Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-72.5114.5168-66.3-6810800107.8L404 F406 I419 V440 V442 T456 Y467 N468 E469 I471 I487L404-M421 HydrophobicContact CD1-SD 4.47Å; L404-M421 HydrophobicContact CD2-SD 4.13Å; F406-M421 HydrophobicContact CB-CE 3.43Å; F406-M421 VanDerWaalsContact CB-CE 3.43Å; F406-M421 HydrophobicContact CB-SD 4.39Å; F406-M421 HydrophobicContact CD1-CE 4.26Å; F406-M421 HydrophobicContact CD2-CE 4.41Å; F406-M421 HydrophobicContact CG-CE 3.81Å; I419-M421 HydrophobicContact CD1-CE 3.39Å; I419-M421 HydrophobicContact CG1-CE 3.52Å; M421-V440 HydrophobicContact CG-CB 4.26Å; M421-V440 HydrophobicContact CG-CG2 4.46Å; M421-V440 HydrophobicContact SD-CB 3.84Å; M421-V440 HydrophobicContact SD-CG1 3.56Å; M421-V440 VanDerWaalsContact SD-CG1 3.56Å; M421-V440 HydrophobicContact SD-CG2 3.98Å; M421-V442 HydrophobicContact CE-CG2 4.06Å; M421-V442 HydrophobicContact SD-CG2 4.36Å; M421-T456 HydrophobicContact CB-CG2 3.85Å; M421-T456 HydrophobicContact CG-CG2 3.65Å; M421-Y467 HydrophobicContact CB-CG 4.34Å; M421-Y467 WeakPolarHBondContact O-CB 3.46Å; M421-N468 CarbonylContact O-C 3.58Å; M421-N468 VanDerWaalsContact O-CA 3.25Å; M421-N468 WeakPolarHBondContact O-CA 3.45Å; M421-N468 PolarHBondContact O-N 3.05Å; M421-E469 PolarHBondContact N-O 2.82Å; M421-E469 PolarHBondContact O-N 3.07Å; M421-I471 HydrophobicContact CG-CD1 4.38Å; M421-I487 HydrophobicContact CE-CD1 4.47Å; M421-I487 HydrophobicContact CE-CG2 4.31Å; M421-I487 HydrophobicContact SD-CG2 4.33Å
422I98.1Very high91.3Very high33 Ų3350.3 Ų50.317%0.16927%0.268CS..EExtended strand (participates in β ladder)trans-94.3-65.6-175.5-54.8170000109M405 T420 Y467 N468 A530M405-I422 HydrophobicContact CE-CB 3.87Å; M405-I422 HydrophobicContact CE-CD1 3.8Å; M405-I422 HydrophobicContact CE-CG1 4.44Å; M405-I422 HydrophobicContact CE-CG2 3.46Å; M405-I422 VanDerWaalsContact CE-CG2 3.46Å; M405-I422 WeakPolarHBondContact O-CB 3.4Å; M405-I422 PolarHBondContact O-N 2.84Å; T420-I422 HydrophobicContact CG2-CG1 4.45Å; T420-I422 PolarHBondContact O-N 2.92Å; I422-Y467 PolarHBondContact O-N 2.72Å; I422-N468 WeakPolarHBondContact CG2-OD1 3.25Å; I422-N468 PolarHBondContact O-N 3.48Å; I422-N468 VanDerWaalsContact O-N 3.1Å; I422-A530 HydrophobicContact CD1-CB 4.3Å
423Q97.8Very high90.1Very high63 Ų6351 Ų5129%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-159164.6-178.362.5-173.6-500111.2M405 P465 V466 W532M405-Q423 WeakPolarHBondContact CA-O 3.42Å; M405-Q423 HydrophobicContact CB-CG 3.97Å; M405-Q423 HydrophobicContact CE-CG 4.14Å; M405-Q423 PolarHBondContact N-O 3.49Å; M405-Q423 PolarHBondContact O-N 2.89Å; Q423-P465 CarbonylContact C-O 3.48Å; Q423-P465 WeakPolarHBondContact CA-O 3.48Å; Q423-V466 HydrophobicContact CB-CG2 4.12Å; Q423-W532 HydrophobicContact CG-CH2 3.77Å; Q423-W532 HydrophobicContact CG-CZ2 4.33Å; Q423-W532 HydrophobicContact CG-CZ3 4.41Å; Q423-W532 VanDerWaalsContact NE2-CZ2 3.35Å
424A97.7Very high88.9Confident3 Ų346 Ų463%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-124.6161.5162.500000110.2D403 L404 L427 N464 P465D403-A424 CarbonylContact O-C 3.57Å; D403-A424 WeakPolarHBondContact O-CA 3.49Å; D403-A424 VanDerWaalsContact O-CB 3.31Å; D403-A424 WeakPolarHBondContact O-CB 3.22Å; L404-A424 HydrophobicContact CD1-CB 3.87Å; A424-L427 HydrophobicContact CB-CD1 4.01Å; A424-L427 HydrophobicContact CB-CD2 3.83Å; A424-L427 HydrophobicContact CB-CG 3.95Å; A424-N464 CarbonylContact O-C 3.53Å; A424-N464 VanDerWaalsContact O-CA 3.28Å; A424-N464 WeakPolarHBondContact O-CA 3.3Å; A424-P465 HydrophobicContact CB-CG 3.87Å; A424-P465 PolarHBondContact N-O 2.64Å
425R89.9Confident88.2Confident99 Ų9944.1 Ų44.137%0.37423%0.232SC..EExtended strand (participates in β ladder)trans-137.5158.317670.3-177-178.7-165.5-1.3111.5G402 D403 L427 L463 N464 W532G402-R425 CarbonylContact C-O 3.04Å; G402-R425 WeakPolarHBondContact CA-O 3.37Å; D403-R425 HydrophobicContact CB-CG 4.05Å; D403-R425 PolarHBondContact N-O 3.34Å; D403-R425 PolarHBondContact O-N 2.89Å; D403-R425 IonicContact OD2-CZ 2.75Å; D403-R425 IonicContact OD2-NE 3.71Å; D403-R425 PolarHBondContact OD2-NE 2.8Å; D403-R425 IonicContact OD2-NH2 3.72Å; D403-R425 PolarHBondContact OD2-NH2 2.86Å; R425-L427 PolarHBondContact O-N 2.99Å; R425-L463 CarbonylContact C-O 3.49Å; R425-N464 WeakPolarHBondContact CA-OD1 3.39Å; R425-N464 WeakPolarHBondContact CB-OD1 3.38Å; R425-W532 HydrophobicContact CB-CH2 4.13Å; R425-W532 HydrophobicContact CB-CZ3 4.2Å; R425-W532 HydrophobicContact CG-CE3 4.41Å; R425-W532 HydrophobicContact CG-CH2 3.84Å; R425-W532 HydrophobicContact CG-CZ3 3.63Å
426N86.5Confident87.9Confident92 Ų9243.4 Ų43.449%0.49223%0.226SC..SBendtrans52.126.7176.9-65.86.1000114.5G402 K428 L463 N464G402-N426 VanDerWaalsContact CA-O 3.27Å; G402-N426 WeakPolarHBondContact CA-O 3.41Å; G402-N426 PolarHBondContact N-O 2.92Å; N426-K428 PolarHBondContact O-N 2.66Å; N426-L463 PolarHBondContact N-O 2.68Å; N426-N464 PolarHBondContact N-OD1 3.31Å
427L90.4Very high87.8Confident2 Ų238.1 Ų38.11%0.0121%0.206CC..PPolyproline II helixtrans-56.8143.3-177.7-67-177.5000111L401 A424 R425 A429 P438 L463 P465 V489 I501 L535L401-L427 WeakPolarHBondContact O-CA 3.4Å; A424-L427 HydrophobicContact CB-CD1 4.01Å; A424-L427 HydrophobicContact CB-CD2 3.83Å; A424-L427 HydrophobicContact CB-CG 3.95Å; R425-L427 PolarHBondContact O-N 2.99Å; L427-A429 PolarHBondContact O-N 3.49Å; L427-P438 HydrophobicContact CD1-CB 3.74Å; L427-P438 HydrophobicContact CD1-CG 4.01Å; L427-L463 HydrophobicContact CB-CB 4.35Å; L427-L463 WeakPolarHBondContact CB-O 3.31Å; L427-L463 WeakPolarHBondContact CG-O 3.44Å; L427-L463 PolarHBondContact N-O 2.61Å; L427-L463 WeakPolarHBondContact O-CD2 3.13Å; L427-P465 HydrophobicContact CD1-CG 3.64Å; L427-V489 HydrophobicContact CD1-CG1 3.92Å; L427-V489 HydrophobicContact CD2-CG1 4.09Å; L427-I501 HydrophobicContact CB-CG2 4.44Å; L427-I501 HydrophobicContact CD2-CG2 4.25Å; L427-L535 HydrophobicContact CD2-CD1 3.5Å
428K85.9Confident87.8Confident79 Ų7938.1 Ų38.134%0.34321%0.206SC..PPolyproline II helixtrans-61.4125.5173.2174.6174174.9-179.70110.7V399 L401 N426 M430 S436 I501V399-K428 HydrophobicContact CG1-CD 4.25Å; L401-K428 HydrophobicContact CD2-CB 4.22Å; L401-K428 HydrophobicContact CD2-CD 3.52Å; L401-K428 PolarHBondContact O-N 2.81Å; N426-K428 PolarHBondContact O-N 2.66Å; K428-M430 HydrophobicContact CD-SD 3.95Å; K428-M430 HydrophobicContact CG-SD 3.9Å; K428-M430 PolarHBondContact O-N 3.31Å; K428-S436 PolarHBondContact O-OG 3.16Å; K428-I501 HydrophobicContact CB-CG2 4.27Å
429A84.3Confident87.8Confident23 Ų2337.4 Ų37.419%0.1920%0.2CC..PPolyproline II helixtrans-64.9126.3168.200000110.4L427 G434 A435 L463L427-A429 PolarHBondContact O-N 3.49Å; A429-G434 WeakPolarHBondContact CB-O 3.14Å; A429-A435 WeakPolarHBondContact CA-O 3.27Å; A429-L463 HydrophobicContact CB-CD1 4.11Å; A429-L463 HydrophobicContact CB-CD2 4.09Å
430M81.6Confident87.8Confident53 Ų5337.4 Ų37.426%0.26120%0.2SC..  trans-115.9-37.2-178.9-64.6-60.5-62.300111.1K428 A435 S436 D491 E499 I501K428-M430 HydrophobicContact CD-SD 3.95Å; K428-M430 HydrophobicContact CG-SD 3.9Å; K428-M430 PolarHBondContact O-N 3.31Å; M430-A435 PolarHBondContact N-O 2.89Å; M430-S436 PolarHBondContact N-OG 3.36Å; M430-S436 VanDerWaalsContact N-OG 3.14Å; M430-D491 HydrophobicContact CB-CB 4.34Å; M430-D491 WeakPolarHBondContact CB-OD2 3.47Å; M430-E499 HydrophobicContact CE-CB 3.93Å; M430-E499 HydrophobicContact CE-CG 4.44Å; M430-E499 WeakPolarHBondContact CE-OE2 3.41Å; M430-I501 HydrophobicContact CG-CG1 3.75Å
431D73.8Confident87.8Confident47 Ų4738.4 Ų38.425%0.25120%0.201SC..SBendtrans-64148.8174-93.6-54.1000112.6T433 G434 A435D431-T433 HydrophobicContact CB-CG2 4.35Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.49Å; D431-T433 PolarHBondContact O-N 2.84Å; D431-G434 PolarHBondContact O-N 3.26Å; D431-G434 VanDerWaalsContact O-N 3.09Å; D431-A435 WeakPolarHBondContact CB-O 3.49Å; D431-A435 PolarHBondContact N-O 2.86Å
432I64.3Low87.8Confident129 Ų12938.4 Ų38.466%0.66220%0.201SC*.THydrogen-bonded Turntrans-61.1-11167.860.2170.1000113.8G434I432-G434 VanDerWaalsContact C-N 3.27Å
433T68.4Low87.7Confident62 Ų6237 Ų3738%0.3820%0.195SC..THydrogen-bonded Turntrans-72.9-19.517561.90000112.8K317 D431 A435 N461K317-T433 WeakPolarHBondContact CE-O 3.43Å; D431-T433 HydrophobicContact CB-CG2 4.35Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.49Å; D431-T433 PolarHBondContact O-N 2.84Å; T433-A435 PolarHBondContact OG1-N 3.27Å; T433-A435 VanDerWaalsContact OG1-N 3.17Å; T433-N461 PolarHBondContact OG1-OD1 3.2Å
434G69.9Low87.7Confident36 Ų3634.4 Ų34.437%0.37118%0.183SC..SBendtrans87.812.1-166.800000113.8A429 D431 I432A429-G434 WeakPolarHBondContact CB-O 3.14Å; D431-G434 PolarHBondContact O-N 3.26Å; D431-G434 VanDerWaalsContact O-N 3.09Å; I432-G434 VanDerWaalsContact C-N 3.27Å
435A80.3Confident87.5Confident8 Ų835 Ų357%0.06619%0.185CC..SBendtrans-126-155.6174.400000110.7A429 M430 D431 T433 N461A429-A435 WeakPolarHBondContact CA-O 3.27Å; M430-A435 PolarHBondContact N-O 2.89Å; D431-A435 WeakPolarHBondContact CB-O 3.49Å; D431-A435 PolarHBondContact N-O 2.86Å; T433-A435 PolarHBondContact OG1-N 3.27Å; T433-A435 VanDerWaalsContact OG1-N 3.17Å; A435-N461 HydrophobicContact CB-CB 4.39Å
436S89.9Confident87.6Confident0 Ų031.2 Ų31.20%017%0.174CC..  trans-152.1162.2169.2-51.10000108.5K428 M430 P438 N461 T462 D491K428-S436 PolarHBondContact O-OG 3.16Å; M430-S436 PolarHBondContact N-OG 3.36Å; M430-S436 VanDerWaalsContact N-OG 3.14Å; S436-P438 WeakPolarHBondContact O-CD 3.48Å; S436-N461 CarbonylContact O-C 3.51Å; S436-N461 WeakPolarHBondContact O-CA 3.2Å; S436-N461 PolarHBondContact O-N 3.38Å; S436-T462 PolarHBondContact O-N 3.21Å; S436-D491 WeakPolarHBondContact CB-OD1 3.45Å
437D94.3Very high87.6Confident6 Ų634.6 Ų34.63%0.03219%0.186CC..  trans-10270.5165.7-87.67.7000109.7T458 K459 R460 N461 D491 Y492D437-T458 HydrophobicContact CB-CG2 4.08Å; D437-T458 VanDerWaalsContact O-CG2 3.3Å; D437-T458 WeakPolarHBondContact O-CG2 3.47Å; D437-K459 CarbonylContact C-O 3.46Å; D437-K459 WeakPolarHBondContact CA-O 3.45Å; D437-R460 WeakPolarHBondContact OD1-CA 3.4Å; D437-R460 VanDerWaalsContact OD1-CB 3.29Å; D437-R460 WeakPolarHBondContact OD1-CB 3.46Å; D437-R460 WeakPolarHBondContact OD2-CG 3.05Å; D437-R460 IonicContact OD2-NE 2.72Å; D437-N461 PolarHBondContact OD1-N 3.33Å; D437-D491 WeakPolarHBondContact CA-OD1 3.36Å; D437-D491 PolarHBondContact N-OD1 3.46Å; D437-Y492 HydrophobicContact CB-CD1 4.49Å; D437-Y492 VanDerWaalsContact O-CB 3.25Å; D437-Y492 WeakPolarHBondContact O-CB 3.44Å; D437-Y492 PolarHBondContact O-N 3.13Å; D437-Y492 VanDerWaalsContact O-N 3.1Å
438P97.3Very high87.2Confident0 Ų037.3 Ų37.30%022%0.215CC..  trans-73.6144.3-167.431.6-39.7000115.3L427 S436 K459 T462 P465 Y467 V489 M490 I501L427-P438 HydrophobicContact CD1-CB 3.74Å; L427-P438 HydrophobicContact CD1-CG 4.01Å; S436-P438 WeakPolarHBondContact O-CD 3.48Å; P438-K459 VanDerWaalsContact CD-O 3.31Å; P438-K459 WeakPolarHBondContact CD-O 3.47Å; P438-K459 VanDerWaalsContact N-O 3.16Å; P438-K459 PolarHBondContact O-N 2.92Å; P438-T462 WeakPolarHBondContact CD-O 3.47Å; P438-T462 HydrophobicContact CG-CG2 4.15Å; P438-T462 WeakPolarHBondContact CG-O 3.32Å; P438-P465 HydrophobicContact CB-CG 4.27Å; P438-P465 HydrophobicContact CG-CB 3.83Å; P438-P465 HydrophobicContact CG-CG 3.68Å; P438-Y467 PolarHBondContact O-OH 3.41Å; P438-V489 HydrophobicContact CB-CG1 4.37Å; P438-M490 CarbonylContact C-O 3.59Å; P438-M490 WeakPolarHBondContact CA-O 3.11Å; P438-I501 HydrophobicContact CB-CD1 4.2Å
439Y98.1Very high87.3Confident13 Ų1338.3 Ų38.35%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-139.7152.1163.973.2-83.5000111.2K441 K455 M490 D491Y439-K441 HydrophobicContact CE2-CB 4.33Å; Y439-K441 PolarHBondContact OH-NZ 2.75Å; Y439-K455 HydrophobicContact CD2-CB 4.1Å; Y439-K455 HydrophobicContact CD2-CD 4.04Å; Y439-K455 HydrophobicContact CE2-CB 4.34Å; Y439-K455 HydrophobicContact CE2-CD 4.06Å; Y439-M490 HydrophobicContact CD1-CB 3.8Å; Y439-M490 HydrophobicContact CD2-CB 4.18Å; Y439-M490 HydrophobicContact CD2-CG 4.41Å; Y439-M490 HydrophobicContact CE1-CB 3.35Å; Y439-M490 HydrophobicContact CE1-CG 4.23Å; Y439-M490 HydrophobicContact CE2-CB 3.76Å; Y439-M490 HydrophobicContact CE2-CG 3.78Å; Y439-M490 HydrophobicContact CG-CB 4.19Å; Y439-M490 PolarHBondContact N-O 3.36Å; Y439-M490 WeakPolarHBondContact O-CB 3.22Å; Y439-M490 PolarHBondContact O-N 2.88Å; Y439-D491 WeakPolarHBondContact CE1-O 3.36Å
440V98.4Very high87.7Confident0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-99.2138.5176.9-1600000111L404 M421 K455 T456 Y467 I487 A488 V489L404-V440 HydrophobicContact CD1-CG2 4.03Å; L404-V440 HydrophobicContact CD2-CG1 4.08Å; M421-V440 HydrophobicContact CG-CB 4.26Å; M421-V440 HydrophobicContact CG-CG2 4.46Å; M421-V440 HydrophobicContact SD-CB 3.84Å; M421-V440 HydrophobicContact SD-CG1 3.56Å; M421-V440 VanDerWaalsContact SD-CG1 3.56Å; M421-V440 HydrophobicContact SD-CG2 3.98Å; V440-K455 CarbonylContact O-C 3.38Å; V440-K455 WeakPolarHBondContact O-CA 3.29Å; V440-K455 WeakPolarHBondContact O-CB 3.17Å; V440-T456 HydrophobicContact CB-CG2 4.04Å; V440-T456 HydrophobicContact CG2-CG2 4.38Å; V440-T456 PolarHBondContact N-OG1 3.07Å; V440-T456 PolarHBondContact O-N 3.06Å; V440-Y467 HydrophobicContact CG2-CD2 4.23Å; V440-Y467 HydrophobicContact CG2-CE1 4.17Å; V440-Y467 HydrophobicContact CG2-CE2 3.64Å; V440-I487 HydrophobicContact CG1-CG2 3.51Å; V440-A488 CarbonylContact C-O 3.57Å; V440-A488 WeakPolarHBondContact CA-O 3.47Å; V440-V489 HydrophobicContact CG1-CG2 4.4Å; V440-V489 HydrophobicContact CG2-CG2 4.36Å
441K98.1Very high88.3Confident58 Ų5847 Ų4725%0.25225%0.249SC..EExtended strand (participates in β ladder)trans-118.1109177.1178.8-172.9-68.6146.20108.9Y439 R454 A488 M490Y439-K441 HydrophobicContact CE2-CB 4.33Å; Y439-K441 PolarHBondContact OH-NZ 2.75Å; K441-R454 CarbonylContact C-O 3.56Å; K441-R454 WeakPolarHBondContact CA-O 3.42Å; K441-A488 PolarHBondContact N-O 3.22Å; K441-A488 PolarHBondContact O-N 2.93Å; K441-M490 HydrophobicContact CB-CG 3.97Å; K441-M490 HydrophobicContact CD-SD 4.37Å; K441-M490 PolarHBondContact NZ-SD 3Å
442V98Very high89.3Confident0 Ų047.8 Ų47.80%025%0.25CS..EExtended strand (participates in β ladder)trans-95.3125176.4-172.80000109.6I419 M421 K453 R454 I471 F473 L485 I487I419-V442 HydrophobicContact CG2-CG1 4.29Å; M421-V442 HydrophobicContact CE-CG2 4.06Å; M421-V442 HydrophobicContact SD-CG2 4.36Å; V442-K453 WeakPolarHBondContact O-CA 3.41Å; V442-R454 PolarHBondContact N-O 3.04Å; V442-R454 PolarHBondContact O-N 3.13Å; V442-I471 HydrophobicContact CB-CD1 4.31Å; V442-I471 HydrophobicContact CG2-CD1 3.77Å; V442-F473 HydrophobicContact CB-CE2 4.29Å; V442-F473 HydrophobicContact CB-CZ 4.22Å; V442-F473 HydrophobicContact CG1-CE2 3.65Å; V442-F473 HydrophobicContact CG1-CZ 3.86Å; V442-L485 HydrophobicContact CG1-CD2 4.24Å; V442-I487 HydrophobicContact CG1-CG1 4.3Å; V442-I487 HydrophobicContact CG2-CG1 4.48Å; V442-I487 HydrophobicContact CG2-CG2 4.39Å
443S97.4Very high90.8Very high5 Ų547.9 Ų47.94%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-115.6117.7176.9-61.40000110R450 L485 L486S443-R450 WeakPolarHBondContact OG-CD 3.39Å; S443-L485 WeakPolarHBondContact O-CA 3.48Å; S443-L486 PolarHBondContact N-O 3.46Å; S443-L486 PolarHBondContact O-N 3.06Å
444L96.5Very high92.2Very high8 Ų850.8 Ų50.84%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-75.1122.2167.5179.166.1000109R450 L451 K452 F473 V475 I483 L485L444-R450 CarbonylContact O-C 3.51Å; L444-L451 HydrophobicContact CD2-CB 4.44Å; L444-L451 HydrophobicContact CG-CB 4.47Å; L444-L451 PolarHBondContact O-N 2.67Å; L444-K452 HydrophobicContact CB-CB 4.14Å; L444-K452 HydrophobicContact CD2-CB 4.2Å; L444-K452 PolarHBondContact N-O 2.95Å; L444-K452 PolarHBondContact O-N 2.88Å; L444-F473 HydrophobicContact CB-CD1 3.88Å; L444-F473 HydrophobicContact CB-CE1 3.84Å; L444-F473 HydrophobicContact CB-CG 4.45Å; L444-F473 HydrophobicContact CB-CZ 4.39Å; L444-F473 HydrophobicContact CD2-CB 4.33Å; L444-F473 HydrophobicContact CD2-CD1 4.02Å; L444-F473 HydrophobicContact CD2-CG 4.39Å; L444-V475 HydrophobicContact CD2-CG2 4.39Å; L444-I483 HydrophobicContact CD1-CB 3.94Å; L444-I483 HydrophobicContact CD1-CD1 3.56Å; L444-I483 HydrophobicContact CD1-CG1 4.38Å; L444-I483 HydrophobicContact CD1-CG2 4.14Å; L444-L485 HydrophobicContact CB-CD2 4.4Å; L444-L485 HydrophobicContact CD1-CD2 3.86Å
445M94.9Very high93.6Very high15 Ų1555.3 Ų55.37%0.07426%0.26CS..EExtended strand (participates in β ladder)trans-113.3150.6-178.7-50.7-60.8-66.300109.7G448 R449 R450 I483 S484 L486M445-G448 WeakPolarHBondContact CE-O 3.48Å; M445-R449 CarbonylContact C-O 3.47Å; M445-R449 VanDerWaalsContact CA-O 3.27Å; M445-R449 WeakPolarHBondContact CA-O 3.44Å; M445-R450 HydrophobicContact CE-CB 3.96Å; M445-R450 HydrophobicContact SD-CB 3.59Å; M445-R450 VanDerWaalsContact SD-CB 3.59Å; M445-R450 HydrophobicContact SD-CG 3.83Å; M445-I483 WeakPolarHBondContact O-CA 3.24Å; M445-I483 WeakPolarHBondContact O-CB 3.31Å; M445-S484 WeakPolarHBondContact CB-O 3.38Å; M445-S484 PolarHBondContact N-O 3.45Å; M445-S484 PolarHBondContact O-N 3.38Å; M445-L486 HydrophobicContact CG-CB 3.95Å; M445-L486 HydrophobicContact SD-CB 4.32Å
446C91.8Very high94.4Very high20 Ų2055.2 Ų55.214%0.13526%0.258CS..EExtended strand (participates in β ladder)trans-146.9130.3168.2-177.60000107.5G448 R449 L451 I483C446-G448 PolarHBondContact O-N 2.87Å; C446-G448 VanDerWaalsContact O-N 3.12Å; C446-R449 PolarHBondContact N-O 2.8Å; C446-R449 WeakPolarHBondContact O-CA 3.23Å; C446-R449 WeakPolarHBondContact O-CB 3.33Å; C446-R449 PolarHBondContact O-N 2.82Å; C446-L451 HydrophobicContact CB-CD1 3.59Å; C446-L451 HydrophobicContact CB-CD2 4.35Å; C446-L451 HydrophobicContact CB-CG 3.93Å; C446-I483 HydrophobicContact CB-CG2 4.18Å
447E85.9Confident94.8Very high162 Ų16257.8 Ų57.876%0.75728%0.276SS*.THydrogen-bonded Turntrans47.541.6-176.4-58.6-175.9145.200113.4R449E447-R449 PolarHBondContact O-N 2.85Å
448G81.9Confident94.9Very high59 Ų5959.5 Ų59.561%0.60829%0.287SS*.THydrogen-bonded Turntrans71.2-8.1-175.400000116M445 C446M445-G448 WeakPolarHBondContact CE-O 3.48Å; C446-G448 PolarHBondContact O-N 2.87Å; C446-G448 VanDerWaalsContact O-N 3.12Å
449R88.6Confident94.9Very high101 Ų10161.8 Ų61.838%0.38130%0.297SS..EExtended strand (participates in β ladder)trans-89136.8177.5-61.8175.3171.4-161.7-4.6111M445 C446 E447 L451 Q546 G548 C550M445-R449 CarbonylContact C-O 3.47Å; M445-R449 VanDerWaalsContact CA-O 3.27Å; M445-R449 WeakPolarHBondContact CA-O 3.44Å; C446-R449 PolarHBondContact N-O 2.8Å; C446-R449 WeakPolarHBondContact O-CA 3.23Å; C446-R449 WeakPolarHBondContact O-CB 3.33Å; C446-R449 PolarHBondContact O-N 2.82Å; E447-R449 PolarHBondContact O-N 2.85Å; R449-L451 PolarHBondContact O-N 2.6Å; R449-Q546 PolarHBondContact NH2-O 3.49Å; R449-G548 VanDerWaalsContact CZ-O 3.32Å; R449-G548 PolarHBondContact NH1-O 2.89Å; R449-G548 PolarHBondContact NH2-O 2.96Å; R449-C550 PolarHBondContact NH1-SG 3.33Å; R449-C550 VanDerWaalsContact NH1-SG 3.4Å
450R93.6Very high94.7Very high148 Ų14869 Ų6956%0.55832%0.324SS*.EExtended strand (participates in β ladder)trans-85.4109.5178.9-176.2174.959.7-151-11.3111.7S443 L444 M445S443-R450 WeakPolarHBondContact OG-CD 3.39Å; L444-R450 CarbonylContact O-C 3.51Å; M445-R450 HydrophobicContact CE-CB 3.96Å; M445-R450 HydrophobicContact SD-CB 3.59Å; M445-R450 VanDerWaalsContact SD-CB 3.59Å; M445-R450 HydrophobicContact SD-CG 3.83Å
451L93.5Very high94.3Very high111 Ų11173.8 Ų73.858%0.58135%0.349SS*.EExtended strand (participates in β ladder)trans-78.4-50.5179.4-59-175.9000113.1L444 C446 R449L444-L451 HydrophobicContact CD2-CB 4.44Å; L444-L451 HydrophobicContact CG-CB 4.47Å; L444-L451 PolarHBondContact O-N 2.67Å; C446-L451 HydrophobicContact CB-CD1 3.59Å; C446-L451 HydrophobicContact CB-CD2 4.35Å; C446-L451 HydrophobicContact CB-CG 3.93Å; R449-L451 PolarHBondContact O-N 2.6Å
452K94.9Very high93.9Very high62 Ų6272.8 Ų72.827%0.2735%0.348SS..EExtended strand (participates in β ladder)trans-144.1139.6-168.9-162.4159.9172.5170.80109.6L444 F473 D474L444-K452 HydrophobicContact CB-CB 4.14Å; L444-K452 HydrophobicContact CD2-CB 4.2Å; L444-K452 PolarHBondContact N-O 2.95Å; L444-K452 PolarHBondContact O-N 2.88Å; K452-F473 HydrophobicContact CB-CD1 4.09Å; K452-F473 HydrophobicContact CB-CE1 4.03Å; K452-F473 HydrophobicContact CD-CD1 4.06Å; K452-F473 HydrophobicContact CG-CD1 4Å; K452-F473 HydrophobicContact CG-CE1 4.01Å; K452-D474 IonicContact NZ-OD2 2.74Å; K452-D474 PolarHBondContact NZ-OD2 3.26Å
453K96.1Very high93.6Very high131 Ų13174.9 Ų74.957%0.5736%0.359SS*.EExtended strand (participates in β ladder)trans-126.3144.2178.169.8-175.4-179.1-176.70111.6V442V442-K453 WeakPolarHBondContact O-CA 3.41Å
454R98Very high93.4Very high124 Ų12479 Ų7947%0.46838%0.38SS..EExtended strand (participates in β ladder)trans-140.6162.8175-67.2-65-178.5-10413.9109.2K441 V442 I471 F473K441-R454 CarbonylContact C-O 3.56Å; K441-R454 WeakPolarHBondContact CA-O 3.42Å; V442-R454 PolarHBondContact N-O 3.04Å; V442-R454 PolarHBondContact O-N 3.13Å; R454-I471 HydrophobicContact CB-CD1 4.23Å; R454-I471 HydrophobicContact CB-CG1 4.43Å; R454-I471 HydrophobicContact CB-CG2 3.56Å; R454-I471 HydrophobicContact CG-CG2 3.85Å; R454-F473 HydrophobicContact CB-CZ 4.21Å; R454-F473 HydrophobicContact CG-CE1 4.02Å; R454-F473 HydrophobicContact CG-CZ 4.05Å
455K97.3Very high93.4Very high131 Ų13178.7 Ų78.757%0.5738%0.379SS*.EExtended strand (participates in β ladder)trans-144.4156.9175.366.5161-170.7162.50111.2Y439 V440Y439-K455 HydrophobicContact CD2-CB 4.1Å; Y439-K455 HydrophobicContact CD2-CD 4.04Å; Y439-K455 HydrophobicContact CE2-CB 4.34Å; Y439-K455 HydrophobicContact CE2-CD 4.06Å; V440-K455 CarbonylContact O-C 3.38Å; V440-K455 WeakPolarHBondContact O-CA 3.29Å; V440-K455 WeakPolarHBondContact O-CB 3.17Å
456T98.3Very high93.6Very high6 Ų681.5 Ų81.54%0.03740%0.397CS..  trans-77.7177.1169.662.90000111.7M421 V440 Y467 E469 I471M421-T456 HydrophobicContact CB-CG2 3.85Å; M421-T456 HydrophobicContact CG-CG2 3.65Å; V440-T456 HydrophobicContact CB-CG2 4.04Å; V440-T456 HydrophobicContact CG2-CG2 4.38Å; V440-T456 PolarHBondContact N-OG1 3.07Å; V440-T456 PolarHBondContact O-N 3.06Å; T456-Y467 HydrophobicContact CG2-CD1 3.96Å; T456-Y467 HydrophobicContact CG2-CE1 4.47Å; T456-Y467 HydrophobicContact CG2-CG 4.37Å; T456-Y467 WeakPolarHBondContact OG1-CE1 3.48Å; T456-E469 WeakPolarHBondContact CA-OE2 3.42Å; T456-E469 VanDerWaalsContact CB-OE2 3.25Å; T456-E469 WeakPolarHBondContact CB-OE2 3.23Å; T456-E469 HydrophobicContact CG2-CB 4.24Å; T456-I471 HydrophobicContact CG2-CD1 4.34Å
457S97.8Very high93.9Very high53 Ų5381.1 Ų81.137%0.37139%0.393SS..PPolyproline II helixtrans-61.2156.2154.175.30000111.3K459 E469S457-K459 VanDerWaalsContact OG-CE 3.27Å; S457-K459 WeakPolarHBondContact OG-CE 3.49Å; S457-K459 PolarHBondContact OG-NZ 3.35Å; S457-E469 WeakPolarHBondContact CB-OE1 3.46Å; S457-E469 PolarHBondContact N-OE1 3.17Å; S457-E469 PolarHBondContact N-OE2 2.9Å; S457-E469 PolarHBondContact OG-OE1 2.97Å
458T97.3Very high94.5Very high43 Ų4378.7 Ų78.726%0.26439%0.385SS..PPolyproline II helixtrans-89.4125.9173.3-590000109D437 Y492D437-T458 HydrophobicContact CB-CG2 4.08Å; D437-T458 VanDerWaalsContact O-CG2 3.3Å; D437-T458 WeakPolarHBondContact O-CG2 3.47Å; T458-Y492 HydrophobicContact CG2-CD1 4.22Å; T458-Y492 HydrophobicContact CG2-CG 4.06Å
459K97.1Very high95.2Very high48 Ų4878.1 Ų78.121%0.20937%0.367CS..PPolyproline II helixtrans-90.6150166.3-44.1-55.7165.5171.10107.6D437 P438 S457 T462 P465 V466 Y467 E469D437-K459 CarbonylContact C-O 3.46Å; D437-K459 WeakPolarHBondContact CA-O 3.45Å; P438-K459 VanDerWaalsContact CD-O 3.31Å; P438-K459 WeakPolarHBondContact CD-O 3.47Å; P438-K459 VanDerWaalsContact N-O 3.16Å; P438-K459 PolarHBondContact O-N 2.92Å; S457-K459 VanDerWaalsContact OG-CE 3.27Å; S457-K459 WeakPolarHBondContact OG-CE 3.49Å; S457-K459 PolarHBondContact OG-NZ 3.35Å; K459-T462 HydrophobicContact CB-CG2 3.85Å; K459-P465 HydrophobicContact CB-CB 3.89Å; K459-P465 HydrophobicContact CG-CB 3.68Å; K459-V466 WeakPolarHBondContact CE-O 3.22Å; K459-V466 PolarHBondContact NZ-O 3.17Å; K459-Y467 HydrophobicContact CD-CD1 4.39Å; K459-Y467 HydrophobicContact CD-CE1 4.48Å; K459-Y467 HydrophobicContact CG-CD1 4.17Å; K459-Y467 HydrophobicContact CG-CE1 3.84Å; K459-E469 IonicContact NZ-OE1 3.82Å; K459-E469 PolarHBondContact NZ-OE1 2.9Å
460R93.8Very high95.7Very high165 Ų16576.6 Ų76.662%0.62338%0.376SS*.  trans-109.9145.3-173.7-68.2-167.7171.5153.70.1113.2D437 T462D437-R460 WeakPolarHBondContact OD1-CA 3.4Å; D437-R460 VanDerWaalsContact OD1-CB 3.29Å; D437-R460 WeakPolarHBondContact OD1-CB 3.46Å; D437-R460 WeakPolarHBondContact OD2-CG 3.05Å; D437-R460 IonicContact OD2-NE 2.72Å; R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.86Å
461N89.8Confident95.9Very high99 Ų9970.2 Ų70.253%0.52935%0.352SS..SBendtrans41.953.3173-165.596.3000112.5T433 A435 S436 D437T433-N461 PolarHBondContact OG1-OD1 3.2Å; A435-N461 HydrophobicContact CB-CB 4.39Å; S436-N461 CarbonylContact O-C 3.51Å; S436-N461 WeakPolarHBondContact O-CA 3.2Å; S436-N461 PolarHBondContact O-N 3.38Å; D437-N461 PolarHBondContact OD1-N 3.33Å
462T90.4Very high96.1Very high38 Ų3867.9 Ų67.923%0.23334%0.343CS..  trans-147.9139.8-177.6-177.70000112.5S436 P438 K459 R460 N464 P465S436-T462 PolarHBondContact O-N 3.21Å; P438-T462 WeakPolarHBondContact CD-O 3.47Å; P438-T462 HydrophobicContact CG-CG2 4.15Å; P438-T462 WeakPolarHBondContact CG-O 3.32Å; K459-T462 HydrophobicContact CB-CG2 3.85Å; R460-T462 VanDerWaalsContact C-N 3.3Å; R460-T462 PolarHBondContact O-N 2.86Å; T462-N464 PolarHBondContact OG1-N 2.94Å; T462-N464 VanDerWaalsContact OG1-N 3.12Å; T462-P465 HydrophobicContact CG2-CB 3.97Å
463L90.7Very high96.2Very high44 Ų4464.9 Ų64.923%0.2333%0.33CS..SBendtrans-99.6-3172.6-53.1-176.9000112.5R425 N426 L427 A429 P465R425-L463 CarbonylContact C-O 3.49Å; N426-L463 PolarHBondContact N-O 2.68Å; L427-L463 HydrophobicContact CB-CB 4.35Å; L427-L463 WeakPolarHBondContact CB-O 3.31Å; L427-L463 WeakPolarHBondContact CG-O 3.44Å; L427-L463 PolarHBondContact N-O 2.61Å; L427-L463 WeakPolarHBondContact O-CD2 3.13Å; A429-L463 HydrophobicContact CB-CD1 4.11Å; A429-L463 HydrophobicContact CB-CD2 4.09Å; L463-P465 VanDerWaalsContact C-CD 3.43Å
464N93.8Very high96.2Very high90 Ų9063.7 Ų63.748%0.48133%0.33SS..SBendtrans-128.962.5179-58.3-68.1000110.5A424 R425 N426 T462A424-N464 CarbonylContact O-C 3.53Å; A424-N464 VanDerWaalsContact O-CA 3.28Å; A424-N464 WeakPolarHBondContact O-CA 3.3Å; R425-N464 WeakPolarHBondContact CA-OD1 3.39Å; R425-N464 WeakPolarHBondContact CB-OD1 3.38Å; N426-N464 PolarHBondContact N-OD1 3.31Å; T462-N464 PolarHBondContact OG1-N 2.94Å; T462-N464 VanDerWaalsContact OG1-N 3.12Å
465P97.3Very high96.1Very high2 Ų258.1 Ų58.11%0.01331%0.309CS..  trans-73.7132.9-175.830.2-36.6000112.7Q423 A424 L427 P438 K459 T462 L463 Y467Q423-P465 CarbonylContact C-O 3.48Å; Q423-P465 WeakPolarHBondContact CA-O 3.48Å; A424-P465 HydrophobicContact CB-CG 3.87Å; A424-P465 PolarHBondContact N-O 2.64Å; L427-P465 HydrophobicContact CD1-CG 3.64Å; P438-P465 HydrophobicContact CB-CG 4.27Å; P438-P465 HydrophobicContact CG-CB 3.83Å; P438-P465 HydrophobicContact CG-CG 3.68Å; K459-P465 HydrophobicContact CB-CB 3.89Å; K459-P465 HydrophobicContact CG-CB 3.68Å; T462-P465 HydrophobicContact CG2-CB 3.97Å; L463-P465 VanDerWaalsContact C-CD 3.43Å; P465-Y467 HydrophobicContact CB-CE1 4.47Å; P465-Y467 HydrophobicContact CB-CE2 3.83Å; P465-Y467 HydrophobicContact CG-CE2 3.68Å; P465-Y467 WeakPolarHBondContact CG-OH 3.3Å
466V98.1Very high96Very high75 Ų7556.6 Ų56.646%0.45531%0.306SS..EExtended strand (participates in β ladder)trans-99.8126.8167.1-177.90000109.4Q423 K459 N468Q423-V466 HydrophobicContact CB-CG2 4.12Å; K459-V466 WeakPolarHBondContact CE-O 3.22Å; K459-V466 PolarHBondContact NZ-O 3.17Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.5Å
467Y98.1Very high95.7Very high12 Ų1258.6 Ų58.65%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-102.9-62.1-178-62-80.9000111.6M421 I422 P438 V440 T456 K459 P465 E469M421-Y467 HydrophobicContact CB-CG 4.34Å; M421-Y467 WeakPolarHBondContact O-CB 3.46Å; I422-Y467 PolarHBondContact O-N 2.72Å; P438-Y467 PolarHBondContact O-OH 3.41Å; V440-Y467 HydrophobicContact CG2-CD2 4.23Å; V440-Y467 HydrophobicContact CG2-CE1 4.17Å; V440-Y467 HydrophobicContact CG2-CE2 3.64Å; T456-Y467 HydrophobicContact CG2-CD1 3.96Å; T456-Y467 HydrophobicContact CG2-CE1 4.47Å; T456-Y467 HydrophobicContact CG2-CG 4.37Å; T456-Y467 WeakPolarHBondContact OG1-CE1 3.48Å; K459-Y467 HydrophobicContact CD-CD1 4.39Å; K459-Y467 HydrophobicContact CD-CE1 4.48Å; K459-Y467 HydrophobicContact CG-CD1 4.17Å; K459-Y467 HydrophobicContact CG-CE1 3.84Å; P465-Y467 HydrophobicContact CB-CE1 4.47Å; P465-Y467 HydrophobicContact CB-CE2 3.83Å; P465-Y467 HydrophobicContact CG-CE2 3.68Å; P465-Y467 WeakPolarHBondContact CG-OH 3.3Å; Y467-E469 VanDerWaalsContact C-N 3.27Å; Y467-E469 PolarHBondContact O-N 3.12Å
468N97.6Very high95.4Very high110 Ų11062.5 Ų62.559%0.58833%0.332SS*.EExtended strand (participates in β ladder)trans5340.5-168.3-61.7-32.7000113.5M421 I422 V466M421-N468 CarbonylContact O-C 3.58Å; M421-N468 VanDerWaalsContact O-CA 3.25Å; M421-N468 WeakPolarHBondContact O-CA 3.45Å; M421-N468 PolarHBondContact O-N 3.05Å; I422-N468 WeakPolarHBondContact CG2-OD1 3.25Å; I422-N468 PolarHBondContact O-N 3.48Å; I422-N468 VanDerWaalsContact O-N 3.1Å; V466-N468 WeakPolarHBondContact CG1-ND2 3.5Å
469E98.3Very high95.2Very high47 Ų4763.1 Ų63.122%0.2233%0.333CS..EExtended strand (participates in β ladder)trans-112.5117.5-172.5-73.8173-123.200111.9M421 T456 S457 K459 Y467M421-E469 PolarHBondContact N-O 2.82Å; M421-E469 PolarHBondContact O-N 3.07Å; T456-E469 WeakPolarHBondContact CA-OE2 3.42Å; T456-E469 VanDerWaalsContact CB-OE2 3.25Å; T456-E469 WeakPolarHBondContact CB-OE2 3.23Å; T456-E469 HydrophobicContact CG2-CB 4.24Å; S457-E469 WeakPolarHBondContact CB-OE1 3.46Å; S457-E469 PolarHBondContact N-OE1 3.17Å; S457-E469 PolarHBondContact N-OE2 2.9Å; S457-E469 PolarHBondContact OG-OE1 2.97Å; K459-E469 IonicContact NZ-OE1 3.82Å; K459-E469 PolarHBondContact NZ-OE1 2.9Å; Y467-E469 VanDerWaalsContact C-N 3.27Å; Y467-E469 PolarHBondContact O-N 3.12Å
470A97.8Very high94.9Very high70 Ų7061.5 Ų61.558%0.57933%0.327SS*.EExtended strand (participates in β ladder)trans-83123.8176.800000111.8T418T418-A470 HydrophobicContact CG2-CB 4.4Å
471I98Very high94.8Very high13 Ų1360.4 Ų60.47%0.06733%0.329CS..EExtended strand (participates in β ladder)trans-109.3132.4172.8-68.4173.4000108I419 M421 V442 R454 T456 F473I419-I471 HydrophobicContact CG2-CB 3.96Å; I419-I471 HydrophobicContact CG2-CG2 4.11Å; I419-I471 PolarHBondContact N-O 3.01Å; I419-I471 PolarHBondContact O-N 2.89Å; M421-I471 HydrophobicContact CG-CD1 4.38Å; V442-I471 HydrophobicContact CB-CD1 4.31Å; V442-I471 HydrophobicContact CG2-CD1 3.77Å; R454-I471 HydrophobicContact CB-CD1 4.23Å; R454-I471 HydrophobicContact CB-CG1 4.43Å; R454-I471 HydrophobicContact CB-CG2 3.56Å; R454-I471 HydrophobicContact CG-CG2 3.85Å; T456-I471 HydrophobicContact CG2-CD1 4.34Å; I471-F473 HydrophobicContact CG2-CD2 4.18Å; I471-F473 HydrophobicContact CG2-CE2 3.48Å; I471-F473 VanDerWaalsContact CG2-CE2 3.48Å; I471-F473 HydrophobicContact CG2-CZ 3.82Å
472V97.7Very high94.9Very high62 Ų6260.7 Ų60.738%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-117.9135.9-176.7-176.70000110.9R416 T418R416-V472 HydrophobicContact CG-CG1 3.55Å; T418-V472 HydrophobicContact CG2-CG2 4.31Å
473F97.5Very high95.1Very high0 Ų059.1 Ų59.10%032%0.317CS..EExtended strand (participates in β ladder)trans-124.5137.6171.5-63-81.9000110.5L417 I419 V442 L444 K452 R454 I471 V475 L485L417-F473 HydrophobicContact CB-CB 4.44Å; L417-F473 PolarHBondContact N-O 2.85Å; L417-F473 PolarHBondContact O-N 2.92Å; I419-F473 HydrophobicContact CG2-CD2 4.38Å; I419-F473 HydrophobicContact CG2-CE2 4.09Å; V442-F473 HydrophobicContact CB-CE2 4.29Å; V442-F473 HydrophobicContact CB-CZ 4.22Å; V442-F473 HydrophobicContact CG1-CE2 3.65Å; V442-F473 HydrophobicContact CG1-CZ 3.86Å; L444-F473 HydrophobicContact CB-CD1 3.88Å; L444-F473 HydrophobicContact CB-CE1 3.84Å; L444-F473 HydrophobicContact CB-CG 4.45Å; L444-F473 HydrophobicContact CB-CZ 4.39Å; L444-F473 HydrophobicContact CD2-CB 4.33Å; L444-F473 HydrophobicContact CD2-CD1 4.02Å; L444-F473 HydrophobicContact CD2-CG 4.39Å; K452-F473 HydrophobicContact CB-CD1 4.09Å; K452-F473 HydrophobicContact CB-CE1 4.03Å; K452-F473 HydrophobicContact CD-CD1 4.06Å; K452-F473 HydrophobicContact CG-CD1 4Å; K452-F473 HydrophobicContact CG-CE1 4.01Å; R454-F473 HydrophobicContact CB-CZ 4.21Å; R454-F473 HydrophobicContact CG-CE1 4.02Å; R454-F473 HydrophobicContact CG-CZ 4.05Å; I471-F473 HydrophobicContact CG2-CD2 4.18Å; I471-F473 HydrophobicContact CG2-CE2 3.48Å; I471-F473 VanDerWaalsContact CG2-CE2 3.48Å; I471-F473 HydrophobicContact CG2-CZ 3.82Å; F473-V475 HydrophobicContact CB-CG2 4.14Å; F473-L485 HydrophobicContact CD2-CD2 4.41Å; F473-L485 HydrophobicContact CE2-CD2 4.3Å
474D96.4Very high95.3Very high106 Ų10657.7 Ų57.757%0.56731%0.311SS*.EExtended strand (participates in β ladder)trans-86.8113.7175.4-32.8-86.1000107.7G415 K452G415-D474 CarbonylContact O-C 3.55Å; G415-D474 WeakPolarHBondContact O-CA 3.4Å; K452-D474 IonicContact NZ-OD2 2.74Å; K452-D474 PolarHBondContact NZ-OD2 3.26Å
475V95.1Very high95.4Very high6 Ų653.4 Ų53.44%0.03629%0.288CS..  trans-141.1106.4-173.6-176.40000108.4Y410 G415 L417 L444 F473 N479 I480 I483Y410-V475 HydrophobicContact CE2-CB 4.29Å; Y410-V475 WeakPolarHBondContact CE2-O 3.03Å; Y410-V475 PolarHBondContact OH-O 3.22Å; G415-V475 CarbonylContact C-O 3.53Å; G415-V475 WeakPolarHBondContact CA-O 3.2Å; G415-V475 CarbonylContact O-C 3.54Å; G415-V475 PolarHBondContact O-N 2.87Å; L417-V475 HydrophobicContact CB-CB 4.43Å; L417-V475 HydrophobicContact CB-CG2 4.03Å; L417-V475 HydrophobicContact CD2-CG2 4.27Å; L444-V475 HydrophobicContact CD2-CG2 4.39Å; F473-V475 HydrophobicContact CB-CG2 4.14Å; V475-N479 HydrophobicContact CG1-CB 4.48Å; V475-I480 HydrophobicContact CG1-CD1 3.78Å; V475-I483 HydrophobicContact CB-CD1 4.34Å; V475-I483 HydrophobicContact CG1-CD1 3.62Å; V475-I483 HydrophobicContact CG1-CG1 4.3Å; V475-I483 HydrophobicContact CG2-CD1 3.82Å
476I94.7Very high95.3Very high99 Ų9954.3 Ų54.351%0.50829%0.293SS..  trans-72.6143.1177.5-28.3-178.2000108.7E478 N479I476-E478 WeakPolarHBondContact CB-OE2 3.3Å; I476-E478 WeakPolarHBondContact CG2-OE2 3.16Å; I476-E478 PolarHBondContact O-N 3.42Å; I476-E478 VanDerWaalsContact O-N 3.08Å; I476-N479 PolarHBondContact O-N 3.2Å
477P92.6Very high95.3Very high49 Ų4950.8 Ų50.832%0.31827%0.271SS..G310 helixtrans-53.2-31.8-170.9-33.339000116.4Y410 P412 N479 I480Y410-P477 WeakPolarHBondContact OH-CA 3.35Å; Y410-P477 WeakPolarHBondContact OH-CD 3.21Å; Y410-P477 WeakPolarHBondContact OH-CG 3.3Å; P412-P477 HydrophobicContact CB-CG 3.98Å; P412-P477 WeakPolarHBondContact O-CG 3.31Å; P477-N479 PolarHBondContact O-N 2.95Å; P477-I480 WeakPolarHBondContact O-CB 3.44Å; P477-I480 WeakPolarHBondContact O-CG2 3.32Å; P477-I480 PolarHBondContact O-N 3.38Å; P477-I480 VanDerWaalsContact O-N 3.16Å
478E92.2Very high95.3Very high135 Ų13550.7 Ų50.763%0.63127%0.273SS*.G310 helixtrans-64.9-22.6-179.7-53.672.4-156.500112.5I476I476-E478 WeakPolarHBondContact CB-OE2 3.3Å; I476-E478 WeakPolarHBondContact CG2-OE2 3.16Å; I476-E478 PolarHBondContact O-N 3.42Å; I476-E478 VanDerWaalsContact O-N 3.08Å
479N91.9Very high95.3Very high55 Ų5545.4 Ų45.429%0.29425%0.245SC..G310 helixtrans-96.1-6.2-179.8-63.1-12.4000112.9V475 I476 P477 E481 Q482 I483V475-N479 HydrophobicContact CG1-CB 4.48Å; I476-N479 PolarHBondContact O-N 3.2Å; P477-N479 PolarHBondContact O-N 2.95Å; N479-E481 VanDerWaalsContact C-N 3.26Å; N479-E481 PolarHBondContact O-N 3.25Å; N479-Q482 PolarHBondContact O-N 3.3Å; N479-I483 WeakPolarHBondContact O-CG2 3.38Å; N479-I483 PolarHBondContact O-N 3.3Å
480I92.1Very high95.2Very high14 Ų1443.6 Ų43.67%0.07224%0.236CC..THydrogen-bonded Turntrans-65.8-28.7-168.2-160.760.3000113.2Y410 V475 P477 I483 W518 L522Y410-I480 HydrophobicContact CD1-CD1 4.18Å; Y410-I480 HydrophobicContact CD1-CG1 4.23Å; Y410-I480 HydrophobicContact CD2-CD1 3.97Å; Y410-I480 HydrophobicContact CE1-CB 4.48Å; Y410-I480 HydrophobicContact CE1-CD1 3.98Å; Y410-I480 HydrophobicContact CE1-CG1 3.94Å; Y410-I480 HydrophobicContact CE2-CD1 3.79Å; Y410-I480 HydrophobicContact CG-CD1 4.19Å; V475-I480 HydrophobicContact CG1-CD1 3.78Å; P477-I480 WeakPolarHBondContact O-CB 3.44Å; P477-I480 WeakPolarHBondContact O-CG2 3.32Å; P477-I480 PolarHBondContact O-N 3.38Å; P477-I480 VanDerWaalsContact O-N 3.16Å; I480-I483 HydrophobicContact CD1-CD1 4.15Å; I480-I483 WeakPolarHBondContact O-CG1 3.01Å; I480-W518 HydrophobicContact CD1-CH2 4.29Å; I480-W518 HydrophobicContact CD1-CZ2 3.92Å; I480-W518 HydrophobicContact CG1-CZ2 4.32Å; I480-L522 HydrophobicContact CG1-CD2 3.68Å
481E90.3Very high95.1Very high143 Ų14340.3 Ų40.367%0.66821%0.209SC*.THydrogen-bonded Turntrans-81-27.2-178.8-59.5-178.4172.500112.8N479N479-E481 VanDerWaalsContact C-N 3.26Å; N479-E481 PolarHBondContact O-N 3.25Å
482Q91.7Very high94.8Very high104 Ų10443.9 Ų43.949%0.48622%0.222SC..THydrogen-bonded Turntrans-88.4-13.5-176.4-61.8176.8-2.400113.3N479N479-Q482 PolarHBondContact O-N 3.3Å
483I94.7Very high94.1Very high5 Ų543 Ų433%0.02622%0.215CC..EExtended strand (participates in β ladder)trans-95.3155.3-178.363.7152000113.3L417 L444 M445 C446 V475 N479 I480 W518L417-I483 HydrophobicContact CD2-CD1 3.99Å; L444-I483 HydrophobicContact CD1-CB 3.94Å; L444-I483 HydrophobicContact CD1-CD1 3.56Å; L444-I483 HydrophobicContact CD1-CG1 4.38Å; L444-I483 HydrophobicContact CD1-CG2 4.14Å; M445-I483 WeakPolarHBondContact O-CA 3.24Å; M445-I483 WeakPolarHBondContact O-CB 3.31Å; C446-I483 HydrophobicContact CB-CG2 4.18Å; V475-I483 HydrophobicContact CB-CD1 4.34Å; V475-I483 HydrophobicContact CG1-CD1 3.62Å; V475-I483 HydrophobicContact CG1-CG1 4.3Å; V475-I483 HydrophobicContact CG2-CD1 3.82Å; N479-I483 WeakPolarHBondContact O-CG2 3.38Å; N479-I483 PolarHBondContact O-N 3.3Å; I480-I483 HydrophobicContact CD1-CD1 4.15Å; I480-I483 WeakPolarHBondContact O-CG1 3.01Å; I483-W518 HydrophobicContact CD1-CH2 3.73Å; I483-W518 HydrophobicContact CD1-CZ2 3.95Å; I483-W518 HydrophobicContact CG1-CH2 4.15Å; I483-W518 HydrophobicContact CG1-CZ2 3.89Å
484S95.3Very high93.1Very high14 Ų1451.1 Ų51.110%0.09825%0.246CC..EExtended strand (participates in β ladder)trans-140.9160166.246.60000110.6M445 V506M445-S484 WeakPolarHBondContact CB-O 3.38Å; M445-S484 PolarHBondContact N-O 3.45Å; M445-S484 PolarHBondContact O-N 3.38Å; S484-V506 CarbonylContact C-O 3.58Å; S484-V506 VanDerWaalsContact CA-O 3.31Å; S484-V506 WeakPolarHBondContact CA-O 3.17Å; S484-V506 VanDerWaalsContact CB-O 3.26Å; S484-V506 WeakPolarHBondContact CB-O 3.15Å
485L96.3Very high91.8Very high0 Ų052.8 Ų52.80%026%0.26CS..EExtended strand (participates in β ladder)trans-104122.9170.8-58.2-178.8000109.2L408 L417 I419 V442 S443 L444 F473 I487 R505 V506 W518L408-L485 HydrophobicContact CD2-CD1 4.08Å; L417-L485 HydrophobicContact CD2-CD1 4.27Å; L417-L485 HydrophobicContact CD2-CD2 4.23Å; L417-L485 HydrophobicContact CD2-CG 4.48Å; I419-L485 HydrophobicContact CB-CD1 4.42Å; I419-L485 HydrophobicContact CD1-CD1 3.74Å; I419-L485 HydrophobicContact CG2-CD1 4.4Å; V442-L485 HydrophobicContact CG1-CD2 4.24Å; S443-L485 WeakPolarHBondContact O-CA 3.48Å; L444-L485 HydrophobicContact CB-CD2 4.4Å; L444-L485 HydrophobicContact CD1-CD2 3.86Å; F473-L485 HydrophobicContact CD2-CD2 4.41Å; F473-L485 HydrophobicContact CE2-CD2 4.3Å; L485-I487 HydrophobicContact CB-CG1 4.24Å; L485-R505 WeakPolarHBondContact O-CA 3.24Å; L485-V506 HydrophobicContact CB-CB 4.37Å; L485-V506 PolarHBondContact N-O 3.25Å; L485-V506 PolarHBondContact O-N 2.79Å; L485-W518 HydrophobicContact CD1-CZ3 4.27Å; L485-W518 HydrophobicContact CG-CZ3 4.28Å
486L95.9Very high90.8Very high22 Ų2255.1 Ų55.112%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-96112.3162.6173.663.3000107.8S443 M445 V503 R505 Y538S443-L486 PolarHBondContact N-O 3.46Å; S443-L486 PolarHBondContact O-N 3.06Å; M445-L486 HydrophobicContact CG-CB 3.95Å; M445-L486 HydrophobicContact SD-CB 4.32Å; L486-V503 HydrophobicContact CD1-CB 4.17Å; L486-V503 HydrophobicContact CD1-CG1 4.48Å; L486-V503 HydrophobicContact CD1-CG2 4.47Å; L486-R505 HydrophobicContact CD1-CG 3.95Å; L486-Y538 HydrophobicContact CD2-CE2 4.36Å
487I97.4Very high90Very high0 Ų058.7 Ų58.70%030%0.299CS..EExtended strand (participates in β ladder)trans-106120.5-178.1-55.3167.1000107.2L404 F406 I419 M421 V440 V442 L485 V503 C504 V506L404-I487 HydrophobicContact CD2-CG2 3.46Å; L404-I487 VanDerWaalsContact CD2-CG2 3.46Å; F406-I487 HydrophobicContact CD1-CD1 4.2Å; F406-I487 HydrophobicContact CD2-CD1 4.25Å; F406-I487 HydrophobicContact CE1-CD1 3.73Å; F406-I487 HydrophobicContact CE2-CD1 3.78Å; F406-I487 HydrophobicContact CG-CD1 4.45Å; F406-I487 HydrophobicContact CZ-CD1 3.51Å; I419-I487 HydrophobicContact CD1-CD1 3.59Å; I419-I487 HydrophobicContact CD1-CG1 4.26Å; M421-I487 HydrophobicContact CE-CD1 4.47Å; M421-I487 HydrophobicContact CE-CG2 4.31Å; M421-I487 HydrophobicContact SD-CG2 4.33Å; V440-I487 HydrophobicContact CG1-CG2 3.51Å; V442-I487 HydrophobicContact CG1-CG1 4.3Å; V442-I487 HydrophobicContact CG2-CG1 4.48Å; V442-I487 HydrophobicContact CG2-CG2 4.39Å; L485-I487 HydrophobicContact CB-CG1 4.24Å; I487-V503 CarbonylContact O-C 3.55Å; I487-V503 VanDerWaalsContact O-CA 3.25Å; I487-V503 WeakPolarHBondContact O-CA 2.95Å; I487-V503 WeakPolarHBondContact O-CB 3.38Å; I487-C504 PolarHBondContact N-O 2.66Å; I487-C504 PolarHBondContact O-N 2.73Å; I487-V506 HydrophobicContact CD1-CG2 3.83Å
488A97.4Very high89.7Confident10 Ų1059.3 Ų59.38%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-120.7123.7-179.100000111V440 K441 M490 V503V440-A488 CarbonylContact C-O 3.57Å; V440-A488 WeakPolarHBondContact CA-O 3.47Å; K441-A488 PolarHBondContact N-O 3.22Å; K441-A488 PolarHBondContact O-N 2.93Å; A488-M490 HydrophobicContact CB-SD 4.13Å; A488-V503 HydrophobicContact CB-CG1 3.69Å
489V97.8Very high89.5Confident0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-83.6125.8166.8-172.90000107.5L404 L427 P438 V440 I501 G502 L535L404-V489 HydrophobicContact CD1-CG2 4.23Å; L404-V489 HydrophobicContact CD2-CG2 4.02Å; L404-V489 HydrophobicContact CG-CG2 4.49Å; L427-V489 HydrophobicContact CD1-CG1 3.92Å; L427-V489 HydrophobicContact CD2-CG1 4.09Å; P438-V489 HydrophobicContact CB-CG1 4.37Å; V440-V489 HydrophobicContact CG1-CG2 4.4Å; V440-V489 HydrophobicContact CG2-CG2 4.36Å; V489-I501 HydrophobicContact CB-CB 4.37Å; V489-I501 HydrophobicContact CG1-CB 4.22Å; V489-I501 HydrophobicContact CG1-CD1 4.12Å; V489-I501 HydrophobicContact CG1-CG2 4.46Å; V489-I501 PolarHBondContact O-N 3.08Å; V489-G502 PolarHBondContact N-O 3.32Å; V489-G502 PolarHBondContact O-N 3.08Å; V489-L535 HydrophobicContact CB-CD1 4.03Å; V489-L535 HydrophobicContact CG2-CD1 3.66Å; V489-L535 HydrophobicContact CG2-CD2 3.85Å; V489-L535 HydrophobicContact CG2-CG 4.43Å
490M96.4Very high89.5Confident8 Ų857 Ų574%0.03929%0.29CS..EExtended strand (participates in β ladder)trans-121.8144.8-171-59-71.6-38.800109P438 Y439 K441 A488 N498 E499 V500P438-M490 CarbonylContact C-O 3.59Å; P438-M490 WeakPolarHBondContact CA-O 3.11Å; Y439-M490 HydrophobicContact CD1-CB 3.8Å; Y439-M490 HydrophobicContact CD2-CB 4.18Å; Y439-M490 HydrophobicContact CD2-CG 4.41Å; Y439-M490 HydrophobicContact CE1-CB 3.35Å; Y439-M490 HydrophobicContact CE1-CG 4.23Å; Y439-M490 HydrophobicContact CE2-CB 3.76Å; Y439-M490 HydrophobicContact CE2-CG 3.78Å; Y439-M490 HydrophobicContact CG-CB 4.19Å; Y439-M490 PolarHBondContact N-O 3.36Å; Y439-M490 WeakPolarHBondContact O-CB 3.22Å; Y439-M490 PolarHBondContact O-N 2.88Å; K441-M490 HydrophobicContact CB-CG 3.97Å; K441-M490 HydrophobicContact CD-SD 4.37Å; K441-M490 PolarHBondContact NZ-SD 3Å; A488-M490 HydrophobicContact CB-SD 4.13Å; M490-N498 HydrophobicContact CE-CB 4.14Å; M490-N498 WeakPolarHBondContact CE-O 3.28Å; M490-E499 CarbonylContact C-O 3.57Å; M490-E499 WeakPolarHBondContact CA-O 3.46Å; M490-E499 WeakPolarHBondContact CE-O 3.45Å; M490-V500 HydrophobicContact CE-CG2 3.82Å; M490-V500 HydrophobicContact SD-CB 4.42Å; M490-V500 HydrophobicContact SD-CG1 4.37Å; M490-V500 HydrophobicContact SD-CG2 3.86Å
491D94.8Very high89.5Confident2 Ų256.6 Ų56.61%0.01129%0.288CS..  trans-87159.5167-159.712.8000112.1M430 S436 D437 Y439 N498 E499 I501M430-D491 HydrophobicContact CB-CB 4.34Å; M430-D491 WeakPolarHBondContact CB-OD2 3.47Å; S436-D491 WeakPolarHBondContact CB-OD1 3.45Å; D437-D491 WeakPolarHBondContact CA-OD1 3.36Å; D437-D491 PolarHBondContact N-OD1 3.46Å; Y439-D491 WeakPolarHBondContact CE1-O 3.36Å; D491-N498 WeakPolarHBondContact O-CB 3.38Å; D491-N498 PolarHBondContact O-ND2 2.98Å; D491-E499 PolarHBondContact N-O 3.47Å; D491-I501 HydrophobicContact CB-CD1 4.13Å; D491-I501 HydrophobicContact CB-CG1 4.22Å
492Y92.8Very high89.6Confident87 Ų8749.8 Ų49.834%0.34126%0.256SS..  trans-118.682179-177.8-98.7000113.8D437 T458 R494 N498D437-Y492 HydrophobicContact CB-CD1 4.49Å; D437-Y492 VanDerWaalsContact O-CB 3.25Å; D437-Y492 WeakPolarHBondContact O-CB 3.44Å; D437-Y492 PolarHBondContact O-N 3.13Å; D437-Y492 VanDerWaalsContact O-N 3.1Å; T458-Y492 HydrophobicContact CG2-CD1 4.22Å; T458-Y492 HydrophobicContact CG2-CG 4.06Å; Y492-R494 HydrophobicContact CE1-CG 4.1Å; Y492-R494 PolarHBondContact O-N 3.25Å; Y492-N498 WeakPolarHBondContact CA-ND2 3.36Å; Y492-N498 WeakPolarHBondContact CD2-ND2 3.47Å
493D83.6Confident89.8Confident43 Ų4345.3 Ų45.323%0.2324%0.236CC..  trans-58.9127.6164.8-52.1-101.8000111.8V495 N498 E499D493-V495 VanDerWaalsContact C-N 3.33Å; D493-N498 WeakPolarHBondContact OD2-CA 3.43Å; D493-N498 PolarHBondContact OD2-N 3.5Å; D493-E499 PolarHBondContact OD2-N 3Å
494R75Confident89.7Confident172 Ų17245.4 Ų45.465%0.64924%0.237SC*.SBendtrans-75.5-25.8167.6-58.8-176.4-165.8174.210.1112.5Y492Y492-R494 HydrophobicContact CE1-CG 4.1Å; Y492-R494 PolarHBondContact O-N 3.25Å
495V70.6Confident89.7Confident141 Ų14149.3 Ų49.386%0.85525%0.249SC*.SBendtrans-142.187.6-176.1-176.10000108.1D493D493-V495 VanDerWaalsContact C-N 3.33Å
496G73.2Confident89.6Confident55 Ų5549.3 Ų49.357%0.56725%0.249SC*.SBendtrans157.6-149.3-175.800000113.1
497H77.8Confident89.5Confident173 Ų17348.2 Ų48.280%0.80124%0.244SC*.  trans-128.6112.5176.5-70.6-40.5000110.1E499H497-E499 PolarHBondContact O-N 3.38Å
498N86.1Confident89.1Confident62 Ų6252.1 Ų52.133%0.33227%0.265SS..  trans-34102.3177.7-64.397.5000114.7M490 D491 Y492 D493M490-N498 HydrophobicContact CE-CB 4.14Å; M490-N498 WeakPolarHBondContact CE-O 3.28Å; D491-N498 WeakPolarHBondContact O-CB 3.38Å; D491-N498 PolarHBondContact O-ND2 2.98Å; Y492-N498 WeakPolarHBondContact CA-ND2 3.36Å; Y492-N498 WeakPolarHBondContact CD2-ND2 3.47Å; D493-N498 WeakPolarHBondContact OD2-CA 3.43Å; D493-N498 PolarHBondContact OD2-N 3.5Å
499E87.6Confident88.5Confident104 Ų10457.6 Ų57.649%0.48629%0.292SS..  trans-73.4154.9-179.8-59.3-144.7105.200112.6M430 M490 D491 D493 H497M430-E499 HydrophobicContact CE-CB 3.93Å; M430-E499 HydrophobicContact CE-CG 4.44Å; M430-E499 WeakPolarHBondContact CE-OE2 3.41Å; M490-E499 CarbonylContact C-O 3.57Å; M490-E499 WeakPolarHBondContact CA-O 3.46Å; M490-E499 WeakPolarHBondContact CE-O 3.45Å; D491-E499 PolarHBondContact N-O 3.47Å; D493-E499 PolarHBondContact OD2-N 3Å; H497-E499 PolarHBondContact O-N 3.38Å
500V92.6Very high88Confident38 Ų3857.7 Ų57.723%0.2329%0.293CS..EExtended strand (participates in β ladder)trans-92.1117.8174.7-171.20000108.3M490 V503 Y538M490-V500 HydrophobicContact CE-CG2 3.82Å; M490-V500 HydrophobicContact SD-CB 4.42Å; M490-V500 HydrophobicContact SD-CG1 4.37Å; M490-V500 HydrophobicContact SD-CG2 3.86Å; V500-V503 HydrophobicContact CG1-CG1 3.93Å; V500-Y538 HydrophobicContact CG1-CG 4.43Å; V500-Y538 HydrophobicContact CG2-CD1 4.4Å
501I92Very high87.1Confident5 Ų563.2 Ų63.23%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-70.1-49.3174.8-70.1169000109.3L427 K428 M430 P438 V489 D491L427-I501 HydrophobicContact CB-CG2 4.44Å; L427-I501 HydrophobicContact CD2-CG2 4.25Å; K428-I501 HydrophobicContact CB-CG2 4.27Å; M430-I501 HydrophobicContact CG-CG1 3.75Å; P438-I501 HydrophobicContact CB-CD1 4.2Å; V489-I501 HydrophobicContact CB-CB 4.37Å; V489-I501 HydrophobicContact CG1-CB 4.22Å; V489-I501 HydrophobicContact CG1-CD1 4.12Å; V489-I501 HydrophobicContact CG1-CG2 4.46Å; V489-I501 PolarHBondContact O-N 3.08Å; D491-I501 HydrophobicContact CB-CD1 4.13Å; D491-I501 HydrophobicContact CB-CG1 4.22Å
502G93.3Very high86.4Confident0 Ų066.7 Ų66.70%035%0.348CS..EExtended strand (participates in β ladder)trans-179.9172.6177.500000111.9V489 V536V489-G502 PolarHBondContact N-O 3.32Å; V489-G502 PolarHBondContact O-N 3.08Å; G502-V536 WeakPolarHBondContact CA-O 3.17Å
503V94.6Very high86.2Confident10 Ų1066.5 Ų66.56%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-134.3158.9-177.3-57.70000112.6L486 I487 A488 V500 V536 Y538L486-V503 HydrophobicContact CD1-CB 4.17Å; L486-V503 HydrophobicContact CD1-CG1 4.48Å; L486-V503 HydrophobicContact CD1-CG2 4.47Å; I487-V503 CarbonylContact O-C 3.55Å; I487-V503 VanDerWaalsContact O-CA 3.25Å; I487-V503 WeakPolarHBondContact O-CA 2.95Å; I487-V503 WeakPolarHBondContact O-CB 3.38Å; A488-V503 HydrophobicContact CB-CG1 3.69Å; V500-V503 HydrophobicContact CG1-CG1 3.93Å; V503-V536 HydrophobicContact CG2-CG2 4.07Å; V503-V536 PolarHBondContact N-O 2.62Å; V503-V536 WeakPolarHBondContact O-CG2 3.33Å; V503-V536 PolarHBondContact O-N 2.94Å; V503-Y538 HydrophobicContact CG1-CD2 3.72Å; V503-Y538 HydrophobicContact CG1-CG 4.24Å; V503-Y538 HydrophobicContact CG2-CD2 4.32Å
504C94.1Very high86.6Confident7 Ų764.7 Ų64.75%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-135.1156.3160.353.60000110I487 H533I487-C504 PolarHBondContact N-O 2.66Å; I487-C504 PolarHBondContact O-N 2.73Å; C504-H533 HydrophobicContact CB-CB 4.04Å
505R94.3Very high87.5Confident96 Ų9662.3 Ų62.336%0.36233%0.334SS..EExtended strand (participates in β ladder)trans-115.3147.2174.3-81.7-172174.6-153.82.9110.4L485 L486 A510 G514L485-R505 WeakPolarHBondContact O-CA 3.24Å; L486-R505 HydrophobicContact CD1-CG 3.95Å; R505-A510 HydrophobicContact CB-CB 4.27Å; R505-G514 VanDerWaalsContact O-CA 3.32Å; R505-G514 WeakPolarHBondContact O-CA 3.36Å
506V95.2Very high88.6Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-138.7135177.4-173.50000108.2F406 L408 S484 L485 I487 G514 W518F406-V506 HydrophobicContact CE2-CG2 3.83Å; F406-V506 HydrophobicContact CZ-CG2 3.5Å; L408-V506 HydrophobicContact CD1-CG1 3.63Å; S484-V506 CarbonylContact C-O 3.58Å; S484-V506 VanDerWaalsContact CA-O 3.31Å; S484-V506 WeakPolarHBondContact CA-O 3.17Å; S484-V506 VanDerWaalsContact CB-O 3.26Å; S484-V506 WeakPolarHBondContact CB-O 3.15Å; L485-V506 HydrophobicContact CB-CB 4.37Å; L485-V506 PolarHBondContact N-O 3.25Å; L485-V506 PolarHBondContact O-N 2.79Å; I487-V506 HydrophobicContact CD1-CG2 3.83Å; V506-G514 WeakPolarHBondContact CA-O 3.2Å; V506-G514 WeakPolarHBondContact CG1-O 3.36Å; V506-W518 HydrophobicContact CG1-CB 4.09Å; V506-W518 HydrophobicContact CG1-CD2 4.38Å; V506-W518 HydrophobicContact CG1-CE3 3.65Å; V506-W518 HydrophobicContact CG1-CZ3 4.43Å
507G93.8Very high89.7Confident0 Ų058.5 Ų58.50%029%0.292CS..EExtended strand (participates in β ladder)trans147.8-180-176.300000111.8D509 A510 G514G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 3.04Å; G507-A510 WeakPolarHBondContact O-CB 3.17Å; G507-A510 PolarHBondContact O-N 2.9Å; G507-G514 PolarHBondContact N-O 3.32Å
508N89.1Confident90.6Very high82 Ų8250.4 Ų50.444%0.43926%0.255SS..THydrogen-bonded Turntrans-63.8-39.2-178.1-15424.7000112.3A510 R515N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.03Å; N508-R515 WeakPolarHBondContact O-CD 3.48Å; N508-R515 PolarHBondContact O-NE 2.63Å; N508-R515 VanDerWaalsContact O-NE 3.12Å
509D84.5Confident91Very high124 Ų12450.7 Ų50.766%0.66326%0.262SS*.THydrogen-bonded Turntrans-85.88.2179.2-51.4-42.7000114.1G507G507-D509 VanDerWaalsContact C-N 3.33Å; G507-D509 PolarHBondContact O-N 3.04Å
510A85.8Confident91.4Very high3 Ų348.2 Ų48.23%0.02525%0.25CS..SBendtrans-80.1164.3-17900000112.5R505 G507 N508 R515R505-A510 HydrophobicContact CB-CB 4.27Å; G507-A510 WeakPolarHBondContact O-CB 3.17Å; G507-A510 PolarHBondContact O-N 2.9Å; N508-A510 VanDerWaalsContact C-N 3.3Å; N508-A510 PolarHBondContact O-N 3.03Å; A510-R515 VanDerWaalsContact O-CZ 3.28Å; A510-R515 PolarHBondContact O-NE 2.99Å; A510-R515 PolarHBondContact O-NH2 3.31Å
511D78.2Confident91.6Very high124 Ų12446.4 Ų46.466%0.66324%0.239SC*.  trans-64.9165169.6-49-71.4000111.3L513 G514 R515D511-L513 PolarHBondContact O-N 2.83Å; D511-G514 CarbonylContact O-C 3.58Å; D511-G514 WeakPolarHBondContact O-CA 3.12Å; D511-G514 PolarHBondContact O-N 2.75Å; D511-R515 PolarHBondContact O-N 3.03Å
512S79.6Confident91.8Very high75 Ų7549.4 Ų49.452%0.52426%0.255SS..Hα-helixtrans-35.9-69.2-166.950.80000114.9G514 R515 E516S512-G514 VanDerWaalsContact C-N 3.28Å; S512-G514 PolarHBondContact O-N 2.71Å; S512-R515 WeakPolarHBondContact O-CB 3.06Å; S512-R515 PolarHBondContact O-N 2.86Å; S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 VanDerWaalsContact O-CG 3.29Å; S512-E516 WeakPolarHBondContact O-CG 3.5Å; S512-E516 PolarHBondContact O-N 3.38Å
513L89.1Confident91.9Very high82 Ų8253.3 Ų53.343%0.42928%0.279SS..Hα-helixtrans-58.3-38.2-178.3-63.6175.1000112.9D511 R515 H517 H533 P534D511-L513 PolarHBondContact O-N 2.83Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.43Å; L513-H517 VanDerWaalsContact O-CB 3.31Å; L513-H517 WeakPolarHBondContact O-CB 3.48Å; L513-H517 PolarHBondContact O-N 2.8Å; L513-H533 PolarHBondContact O-CE1 3.24Å; L513-P534 HydrophobicContact CD1-CG 4.43Å
514G92.2Very high91.8Very high5 Ų558.7 Ų58.75%0.05230%0.299CS..Hα-helixtrans-67.3-3117800000113.3R505 V506 G507 D511 S512R505-G514 VanDerWaalsContact O-CA 3.32Å; R505-G514 WeakPolarHBondContact O-CA 3.36Å; V506-G514 WeakPolarHBondContact CA-O 3.2Å; V506-G514 WeakPolarHBondContact CG1-O 3.36Å; G507-G514 PolarHBondContact N-O 3.32Å; D511-G514 CarbonylContact O-C 3.58Å; D511-G514 WeakPolarHBondContact O-CA 3.12Å; D511-G514 PolarHBondContact O-N 2.75Å; S512-G514 VanDerWaalsContact C-N 3.28Å; S512-G514 PolarHBondContact O-N 2.71Å
515R94Very high91.7Very high122 Ų12260.4 Ų60.446%0.4631%0.31SS..Hα-helixtrans-84-40.6176.3-166.8-175.5-53.6-146.5-3.9112N508 A510 D511 S512 L513 W518 S519N508-R515 WeakPolarHBondContact O-CD 3.48Å; N508-R515 PolarHBondContact O-NE 2.63Å; N508-R515 VanDerWaalsContact O-NE 3.12Å; A510-R515 VanDerWaalsContact O-CZ 3.28Å; A510-R515 PolarHBondContact O-NE 2.99Å; A510-R515 PolarHBondContact O-NH2 3.31Å; D511-R515 PolarHBondContact O-N 3.03Å; S512-R515 WeakPolarHBondContact O-CB 3.06Å; S512-R515 PolarHBondContact O-N 2.86Å; L513-R515 VanDerWaalsContact C-N 3.31Å; L513-R515 PolarHBondContact O-N 3.43Å; R515-W518 PolarHBondContact O-N 3.25Å; R515-S519 WeakPolarHBondContact O-CB 3.5Å; R515-S519 PolarHBondContact O-N 2.58Å
516E93.9Very high91.7Very high114 Ų11464 Ų6453%0.53332%0.324SS..Hα-helixtrans-61.6-47.7176.2-73.8160.3-15100111S512 W518 S519 E520S512-E516 WeakPolarHBondContact O-CB 3.31Å; S512-E516 VanDerWaalsContact O-CG 3.29Å; S512-E516 WeakPolarHBondContact O-CG 3.5Å; S512-E516 PolarHBondContact O-N 3.38Å; E516-W518 VanDerWaalsContact C-N 3.3Å; E516-W518 PolarHBondContact O-N 3.07Å; E516-S519 PolarHBondContact O-N 2.68Å; E516-E520 WeakPolarHBondContact O-CB 3.38Å; E516-E520 PolarHBondContact O-N 2.82Å
517H96.4Very high91.6Very high2 Ų269 Ų691%0.00935%0.345CS..Hα-helixtrans-62.3-35.9175.7-170.5-173.8000112.4F406 L408 L513 M521 V529 H531 H533F406-H517 AromaticContact CD2-CE1 3.6Å; F406-H517 AromaticContact CE2-CE1 3.34Å; F406-H517 WeakPolarHBondContact CE2-CE1 3.44Å; F406-H517 AromaticContact CE2-ND1 3.37Å; F406-H517 WeakPolarHBondContact CE2-ND1 3.34Å; F406-H517 AromaticContact CZ-ND1 3.8Å; F406-H517 PolarHBondContact O-CE1 2.95Å; L408-H517 HydrophobicContact CD1-CB 4.41Å; L513-H517 VanDerWaalsContact O-CB 3.31Å; L513-H517 WeakPolarHBondContact O-CB 3.48Å; L513-H517 PolarHBondContact O-N 2.8Å; H517-M521 WeakPolarHBondContact O-CB 3.37Å; H517-M521 PolarHBondContact O-N 2.98Å; H517-M521 VanDerWaalsContact O-N 3.14Å; H517-V529 PolarHBondContact NE2-O 3.02Å; H517-H531 AromaticContact CD2-CD2 3.44Å; H517-H531 PolarHBondContact CD2-CD2 2.94Å; H517-H531 VanDerWaalsContact CD2-CD2 3.44Å; H517-H531 AromaticContact CG-CD2 3.77Å; H517-H531 AromaticContact NE2-CD2 3.82Å; H517-H533 AromaticContact CE1-NE2 3.97Å; H517-H533 AromaticContact CG-NE2 3.73Å; H517-H533 AromaticContact ND1-CD2 3.88Å; H517-H533 AromaticContact ND1-CE1 3.78Å; H517-H533 AromaticContact ND1-NE2 3Å; H517-H533 PolarHBondContact ND1-NE2 3.41Å
518W96.4Very high91.8Very high4 Ų473 Ų732%0.01537%0.371CS..Hα-helixtrans-68.5-44.9174.7-166.2-108.8000111.8L408 L417 I480 I483 L485 V506 R515 E516 M521 L522L408-W518 HydrophobicContact CD1-CE3 4.24Å; L417-W518 HydrophobicContact CD1-CH2 4.4Å; L417-W518 HydrophobicContact CD1-CZ3 4.26Å; L417-W518 HydrophobicContact CD2-CH2 3.71Å; L417-W518 HydrophobicContact CD2-CZ3 4.04Å; I480-W518 HydrophobicContact CD1-CH2 4.29Å; I480-W518 HydrophobicContact CD1-CZ2 3.92Å; I480-W518 HydrophobicContact CG1-CZ2 4.32Å; I483-W518 HydrophobicContact CD1-CH2 3.73Å; I483-W518 HydrophobicContact CD1-CZ2 3.95Å; I483-W518 HydrophobicContact CG1-CH2 4.15Å; I483-W518 HydrophobicContact CG1-CZ2 3.89Å; L485-W518 HydrophobicContact CD1-CZ3 4.27Å; L485-W518 HydrophobicContact CG-CZ3 4.28Å; V506-W518 HydrophobicContact CG1-CB 4.09Å; V506-W518 HydrophobicContact CG1-CD2 4.38Å; V506-W518 HydrophobicContact CG1-CE3 3.65Å; V506-W518 HydrophobicContact CG1-CZ3 4.43Å; R515-W518 PolarHBondContact O-N 3.25Å; E516-W518 VanDerWaalsContact C-N 3.3Å; E516-W518 PolarHBondContact O-N 3.07Å; W518-M521 HydrophobicContact CD2-CE 3.71Å; W518-M521 HydrophobicContact CE3-CE 3.57Å; W518-M521 HydrophobicContact CE3-SD 4.2Å; W518-M521 HydrophobicContact CG-CE 4.43Å; W518-M521 HydrophobicContact CH2-CE 4Å; W518-M521 HydrophobicContact CZ2-CE 4.07Å; W518-M521 HydrophobicContact CZ3-CE 3.74Å; W518-M521 HydrophobicContact CZ3-SD 4.19Å; W518-M521 WeakPolarHBondContact O-CB 3.47Å; W518-M521 PolarHBondContact O-N 2.99Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 3.47Å; W518-L522 VanDerWaalsContact O-N 3.08Å
519S95.3Very high92.2Very high68 Ų6869.2 Ų69.248%0.47635%0.352SS..Hα-helixtrans-62.8-42.6177-171.30000111.9R515 E516 M521 L522 T523R515-S519 WeakPolarHBondContact O-CB 3.5Å; R515-S519 PolarHBondContact O-N 2.58Å; E516-S519 PolarHBondContact O-N 2.68Å; S519-M521 PolarHBondContact O-N 3.33Å; S519-L522 PolarHBondContact O-N 3.05Å; S519-T523 WeakPolarHBondContact O-CB 3.32Å; S519-T523 PolarHBondContact O-N 2.94Å; S519-T523 PolarHBondContact O-OG1 3.36Å
520E95.8Very high92.8Very high51 Ų5166 Ų6624%0.23834%0.342CS..Hα-helixtrans-63.4-41.6176.2-158.6-160.9155.100111.6E516 L522 T523 Y524 V529 H531E516-E520 WeakPolarHBondContact O-CB 3.38Å; E516-E520 PolarHBondContact O-N 2.82Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 2.96Å; E520-T523 PolarHBondContact O-N 3.39Å; E520-Y524 HydrophobicContact CG-CD2 3.75Å; E520-Y524 HydrophobicContact CG-CE2 3.83Å; E520-Y524 WeakPolarHBondContact O-CD2 3.37Å; E520-Y524 PolarHBondContact O-N 3.05Å; E520-V529 HydrophobicContact CG-CB 4.47Å; E520-V529 HydrophobicContact CG-CG1 3.93Å; E520-V529 VanDerWaalsContact OE1-CG1 3.29Å; E520-V529 WeakPolarHBondContact OE1-CG1 3.41Å; E520-H531 IonicContact OE2-CD2 2.77Å; E520-H531 IonicContact OE2-CE1 3.8Å; E520-H531 IonicContact OE2-NE2 2.79Å; E520-H531 PolarHBondContact OE2-NE2 3.05Å
521M96.8Very high93.2Very high0 Ų069.3 Ų69.30%036%0.357CS..Hα-helixtrans-60-40.8175.1177.9-156.264.400112L408 L417 H517 W518 S519 V529L408-M521 HydrophobicContact CB-CB 3.99Å; L408-M521 HydrophobicContact CB-CG 3.77Å; L408-M521 HydrophobicContact CB-SD 3.68Å; L408-M521 HydrophobicContact CD1-CB 4.43Å; L408-M521 HydrophobicContact CD1-SD 4.32Å; L408-M521 HydrophobicContact CG-SD 4.45Å; L417-M521 HydrophobicContact CD1-CE 4.23Å; L417-M521 HydrophobicContact CD1-SD 3.42Å; L417-M521 WeakPolarHBondContact CD1-SD 3.41Å; H517-M521 WeakPolarHBondContact O-CB 3.37Å; H517-M521 PolarHBondContact O-N 2.98Å; H517-M521 VanDerWaalsContact O-N 3.14Å; W518-M521 HydrophobicContact CD2-CE 3.71Å; W518-M521 HydrophobicContact CE3-CE 3.57Å; W518-M521 HydrophobicContact CE3-SD 4.2Å; W518-M521 HydrophobicContact CG-CE 4.43Å; W518-M521 HydrophobicContact CH2-CE 4Å; W518-M521 HydrophobicContact CZ2-CE 4.07Å; W518-M521 HydrophobicContact CZ3-CE 3.74Å; W518-M521 HydrophobicContact CZ3-SD 4.19Å; W518-M521 WeakPolarHBondContact O-CB 3.47Å; W518-M521 PolarHBondContact O-N 2.99Å; S519-M521 PolarHBondContact O-N 3.33Å; M521-V529 HydrophobicContact CB-CG2 3.78Å
522L95Very high94Very high68 Ų6867 Ų6736%0.35634%0.339SS..Hα-helixtrans-73.5-31.9177.1-65.5175.1000112.4Y410 I480 W518 S519 E520Y410-L522 HydrophobicContact CD1-CD2 4.16Å; I480-L522 HydrophobicContact CG1-CD2 3.68Å; W518-L522 WeakPolarHBondContact O-CG 3.44Å; W518-L522 PolarHBondContact O-N 3.47Å; W518-L522 VanDerWaalsContact O-N 3.08Å; S519-L522 PolarHBondContact O-N 3.05Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 2.96Å
523T95.8Very high94.7Very high83 Ų8363.7 Ų63.751%0.50932%0.315SS..Hα-helixtrans-70.8-36.1177.8-59.80000112.2S519 E520 P525S519-T523 WeakPolarHBondContact O-CB 3.32Å; S519-T523 PolarHBondContact O-N 2.94Å; S519-T523 PolarHBondContact O-OG1 3.36Å; E520-T523 PolarHBondContact O-N 3.39Å; T523-P525 VanDerWaalsContact O-CD 3.23Å; T523-P525 WeakPolarHBondContact O-CD 3.38Å
524Y93.6Very high94.7Very high122 Ų12263 Ų6348%0.47832%0.315SS..SBendtrans-116.766.4178.9-54.9-68.7000112.7E520 K527E520-Y524 HydrophobicContact CG-CD2 3.75Å; E520-Y524 HydrophobicContact CG-CE2 3.83Å; E520-Y524 WeakPolarHBondContact O-CD2 3.37Å; E520-Y524 PolarHBondContact O-N 3.05Å; Y524-K527 HydrophobicContact CG-CD 4.4Å; Y524-K527 VanDerWaalsContact O-CB 3.31Å; Y524-K527 WeakPolarHBondContact O-CB 3.35Å; Y524-K527 PolarHBondContact O-N 3.44Å; Y524-K527 VanDerWaalsContact O-N 3.09Å
525P91.5Very high94.8Very high43 Ų4363.2 Ų63.228%0.27932%0.315SS..THydrogen-bonded Turntrans-62.3143.4-176.427.5-35.3000112P412 T523 K527P412-P525 HydrophobicContact CG-CB 4.28Å; T523-P525 VanDerWaalsContact O-CD 3.23Å; T523-P525 WeakPolarHBondContact O-CD 3.38Å; P525-K527 PolarHBondContact O-N 3Å
526R92.8Very high94.5Very high171 Ų17161.5 Ų61.565%0.64532%0.318SS*.THydrogen-bonded Turntrans70.1-8.9-169.5-49.9158.5-69.7-123.8-1.6115.9C409 Y410 L411C409-R526 PolarHBondContact SG-O 2.97Å; Y410-R526 PolarHBondContact O-N 3.44Å; L411-R526 HydrophobicContact CG-CG 4.2Å
527K94.6Very high94.1Very high105 Ų10560 Ų6046%0.45731%0.311SS..SBendtrans-89.1129.9171.4-174.3-166.3172.1-159.90108.9Y524 P525 V529Y524-K527 HydrophobicContact CG-CD 4.4Å; Y524-K527 VanDerWaalsContact O-CB 3.31Å; Y524-K527 WeakPolarHBondContact O-CB 3.35Å; Y524-K527 PolarHBondContact O-N 3.44Å; Y524-K527 VanDerWaalsContact O-N 3.09Å; P525-K527 PolarHBondContact O-N 3Å; K527-V529 HydrophobicContact CD-CG1 4.43Å; K527-V529 PolarHBondContact O-N 3.47Å
528P96.6Very high93.3Very high84 Ų8463.4 Ų63.455%0.54532%0.324SS..PPolyproline II helixtrans-70116.2164.929-31.2000109.5L408 C409L408-P528 WeakPolarHBondContact O-CA 3.5Å; C409-P528 HydrophobicContact CB-CB 4.34Å
529V97.5Very high91.8Very high4 Ų471.2 Ų71.22%0.02436%0.361CS..EExtended strand (participates in β ladder)trans-95.3145.4166.7-64.40000108.1S407 L408 H517 E520 M521 K527S407-V529 CarbonylContact C-O 3.39Å; S407-V529 WeakPolarHBondContact CA-O 3.47Å; S407-V529 WeakPolarHBondContact CB-O 3.41Å; L408-V529 HydrophobicContact CB-CG2 4.2Å; L408-V529 PolarHBondContact N-O 3.26Å; L408-V529 WeakPolarHBondContact O-CG2 3.37Å; L408-V529 PolarHBondContact O-N 3.4Å; H517-V529 PolarHBondContact NE2-O 3.02Å; E520-V529 HydrophobicContact CG-CB 4.47Å; E520-V529 HydrophobicContact CG-CG1 3.93Å; E520-V529 VanDerWaalsContact OE1-CG1 3.29Å; E520-V529 WeakPolarHBondContact OE1-CG1 3.41Å; M521-V529 HydrophobicContact CB-CG2 3.78Å; K527-V529 HydrophobicContact CD-CG1 4.43Å; K527-V529 PolarHBondContact O-N 3.47Å
530A97.3Very high89.6Confident56 Ų5670 Ų7046%0.46336%0.36SS..EExtended strand (participates in β ladder)trans-143.4130.1-17100000112F406 I422F406-A530 WeakPolarHBondContact O-CA 3.39Å; I422-A530 HydrophobicContact CD1-CB 4.3Å
531H94.8Very high87Confident73 Ų7371.7 Ų71.734%0.33837%0.374SS..EExtended strand (participates in β ladder)trans-140.7156.9-174.6-76.5-85.7000111.9M405 F406 H517 E520M405-H531 WeakPolarHBondContact CA-O 3.42Å; F406-H531 PolarHBondContact N-O 3.19Å; F406-H531 PolarHBondContact O-N 2.89Å; F406-H531 VanDerWaalsContact O-N 3.15Å; H517-H531 AromaticContact CD2-CD2 3.44Å; H517-H531 PolarHBondContact CD2-CD2 2.94Å; H517-H531 VanDerWaalsContact CD2-CD2 3.44Å; H517-H531 AromaticContact CG-CD2 3.77Å; H517-H531 AromaticContact NE2-CD2 3.82Å; E520-H531 IonicContact OE2-CD2 2.77Å; E520-H531 IonicContact OE2-CE1 3.8Å; E520-H531 IonicContact OE2-NE2 2.79Å; E520-H531 PolarHBondContact OE2-NE2 3.05Å
532W94.9Very high83.7Confident76 Ų7678.2 Ų78.229%0.28841%0.414SS..EExtended strand (participates in β ladder)trans-85.8138.3163.9-72.299.1000109.8D403 M405 Q423 R425D403-W532 HydrophobicContact CB-CD2 4.4Å; D403-W532 HydrophobicContact CB-CE3 3.48Å; D403-W532 VanDerWaalsContact CB-CE3 3.48Å; D403-W532 HydrophobicContact CB-CZ3 3.96Å; M405-W532 HydrophobicContact CB-CD2 3.72Å; M405-W532 HydrophobicContact CB-CE3 3.59Å; M405-W532 HydrophobicContact CB-CG 4.41Å; M405-W532 HydrophobicContact CB-CH2 3.99Å; M405-W532 HydrophobicContact CB-CZ2 4.09Å; M405-W532 HydrophobicContact CB-CZ3 3.73Å; M405-W532 HydrophobicContact CG-CD2 3.89Å; M405-W532 HydrophobicContact CG-CE3 4.29Å; M405-W532 HydrophobicContact CG-CG 4.17Å; M405-W532 HydrophobicContact CG-CZ2 4.36Å; M405-W532 HydrophobicContact SD-CD2 4.08Å; M405-W532 HydrophobicContact SD-CG 4.44Å; M405-W532 HydrophobicContact SD-CH2 4.49Å; M405-W532 HydrophobicContact SD-CZ2 3.71Å; M405-W532 PolarHBondContact SD-NE1 2.96Å; M405-W532 VanDerWaalsContact SD-NE1 3.41Å; Q423-W532 HydrophobicContact CG-CH2 3.77Å; Q423-W532 HydrophobicContact CG-CZ2 4.33Å; Q423-W532 HydrophobicContact CG-CZ3 4.41Å; Q423-W532 VanDerWaalsContact NE2-CZ2 3.35Å; R425-W532 HydrophobicContact CB-CH2 4.13Å; R425-W532 HydrophobicContact CB-CZ3 4.2Å; R425-W532 HydrophobicContact CG-CE3 4.41Å; R425-W532 HydrophobicContact CG-CH2 3.84Å; R425-W532 HydrophobicContact CG-CZ3 3.63Å
533H94.1Very high80.8Confident5 Ų580.3 Ų80.32%0.02343%0.434CS..EExtended strand (participates in β ladder)trans-125.3122.5174.2-72.4-104.2000108.6D403 L404 F406 C504 L513 H517D403-H533 WeakPolarHBondContact CA-O 3.45Å; L404-H533 PolarHBondContact N-O 3.42Å; L404-H533 PolarHBondContact O-N 3.45Å; F406-H533 HydrophobicContact CE1-CB 3.94Å; F406-H533 AromaticContact CE1-CD2 3.4Å; F406-H533 VanDerWaalsContact CE1-CD2 3.4Å; F406-H533 WeakPolarHBondContact CE1-CD2 3.24Å; F406-H533 AromaticContact CE1-CG 3.6Å; F406-H533 HydrophobicContact CZ-CB 4.48Å; F406-H533 AromaticContact CZ-CD2 3.38Å; F406-H533 WeakPolarHBondContact CZ-CD2 3.33Å; F406-H533 AromaticContact CZ-CG 3.69Å; F406-H533 AromaticContact CZ-NE2 3.68Å; C504-H533 HydrophobicContact CB-CB 4.04Å; L513-H533 PolarHBondContact O-CE1 3.24Å; H517-H533 AromaticContact CE1-NE2 3.97Å; H517-H533 AromaticContact CG-NE2 3.73Å; H517-H533 AromaticContact ND1-CD2 3.88Å; H517-H533 AromaticContact ND1-CE1 3.78Å; H517-H533 AromaticContact ND1-NE2 3Å; H517-H533 PolarHBondContact ND1-NE2 3.41Å
534P90.3Very high77.5Confident66 Ų6681.1 Ų81.143%0.42944%0.443SS..EExtended strand (participates in β ladder)trans-64.6143.8171.128.8-34.2000109.4D403 L513D403-P534 WeakPolarHBondContact OD1-CA 3.18Å; L513-P534 HydrophobicContact CD1-CG 4.43Å
535L92.7Very high74.5Confident10 Ų1081.1 Ų81.15%0.05246%0.461CS..  trans-89129.2177.7-62.8171000110L401 G402 L404 L427 V489L401-L535 HydrophobicContact CB-CB 3.87Å; G402-L535 VanDerWaalsContact O-CB 3.26Å; G402-L535 WeakPolarHBondContact O-CB 3.21Å; G402-L535 VanDerWaalsContact O-CG 3.26Å; G402-L535 WeakPolarHBondContact O-CG 3.47Å; G402-L535 PolarHBondContact O-N 3.44Å; L404-L535 HydrophobicContact CB-CD2 4.04Å; L404-L535 HydrophobicContact CB-CG 4.42Å; L427-L535 HydrophobicContact CD2-CD1 3.5Å; V489-L535 HydrophobicContact CB-CD1 4.03Å; V489-L535 HydrophobicContact CG2-CD1 3.66Å; V489-L535 HydrophobicContact CG2-CD2 3.85Å; V489-L535 HydrophobicContact CG2-CG 4.43Å
536V89.1Confident71.6Confident87 Ų8787.1 Ų87.153%0.52749%0.485SS..BIsolated β-bridgetrans-104.8160.9175.3-60.60000111.2G502 V503 Y538G502-V536 WeakPolarHBondContact CA-O 3.17Å; V503-V536 HydrophobicContact CG2-CG2 4.07Å; V503-V536 PolarHBondContact N-O 2.62Å; V503-V536 WeakPolarHBondContact O-CG2 3.33Å; V503-V536 PolarHBondContact O-N 2.94Å; V536-Y538 PolarHBondContact O-N 2.89Å
537E84.8Confident68.8Low81 Ų8183.2 Ų83.238%0.37950%0.498SS..  trans-62.2138.1179.2-178.2168.8-170.100110.9R363 S396 L401 Q539R363-E537 IonicContact CZ-OE1 3.06Å; R363-E537 IonicContact NH1-OE1 2.67Å; R363-E537 PolarHBondContact NH1-OE1 2.83Å; S396-E537 VanDerWaalsContact CB-OE2 3.28Å; S396-E537 WeakPolarHBondContact CB-OE2 3.33Å; S396-E537 PolarHBondContact OG-OE2 2.91Å; L401-E537 HydrophobicContact CD1-CB 4.41Å; E537-Q539 VanDerWaalsContact C-N 3.32Å; E537-Q539 PolarHBondContact O-N 2.9Å
538Y78.9Confident65.6Low74 Ų7480.3 Ų80.329%0.2950%0.498SS..  trans-69.589.5172.5-176.4-112.2000111R363 L486 V500 V503 V536 G540R363-Y538 PolarHBondContact NH1-O 3.27Å; R363-Y538 VanDerWaalsContact NH1-O 3.1Å; L486-Y538 HydrophobicContact CD2-CE2 4.36Å; V500-Y538 HydrophobicContact CG1-CG 4.43Å; V500-Y538 HydrophobicContact CG2-CD1 4.4Å; V503-Y538 HydrophobicContact CG1-CD2 3.72Å; V503-Y538 HydrophobicContact CG1-CG 4.24Å; V503-Y538 HydrophobicContact CG2-CD2 4.32Å; V536-Y538 PolarHBondContact O-N 2.89Å; Y538-G540 PolarHBondContact O-N 3.48Å
539Q64.6Low62.5Low168 Ų16881.6 Ų81.679%0.78551%0.509SS*.  trans-65.7105.4160.5-64.1-1748.800108.1E537 T541E537-Q539 VanDerWaalsContact C-N 3.32Å; E537-Q539 PolarHBondContact O-N 2.9Å; Q539-T541 PolarHBondContact O-N 3.4Å
540G50.3Low59.3Low44 Ų4486 Ų8645%0.45454%0.538SS..  trans-70.4101.2-174.400000111.7Y538 T542Y538-G540 PolarHBondContact O-N 3.48Å; G540-T542 PolarHBondContact O-N 2.88Å
541T40.4Very low56.3Low86 Ų8690.2 Ų90.253%0.52855%0.554SS.*  trans-60.9100.9171.153.30000109.6Q539 S543Q539-T541 PolarHBondContact O-N 3.4Å; T541-S543 VanDerWaalsContact C-N 3.31Å; T541-S543 PolarHBondContact O-N 3.2Å
542T28.3Very low53.4Low137 Ų13792.3 Ų92.384%0.8458%0.576SS**  trans-67.988.8173.338.50000108.8G540 S544G540-T542 PolarHBondContact O-N 2.88Å; T542-S544 VanDerWaalsContact C-N 3.26Å; T542-S544 PolarHBondContact O-N 2.88Å
543S33.3Very low50.7Low111 Ų11195.9 Ų95.978%0.77660%0.6SS**  trans-67.785.2177.861.30000110.1T541 S545T541-S543 VanDerWaalsContact C-N 3.31Å; T541-S543 PolarHBondContact O-N 3.2Å; S543-S545 PolarHBondContact O-N 3.35Å
544S26.3Very low47.8Very low100 Ų100105.2 Ų105.270%0.69964%0.641SS**  trans-56.2125.8166.653.70000108.3T542 Q546T542-S544 VanDerWaalsContact C-N 3.26Å; T542-S544 PolarHBondContact O-N 2.88Å; S544-Q546 VanDerWaalsContact C-N 3.26Å; S544-Q546 PolarHBondContact O-N 3.38Å
545S31.7Very low45.1Very low123 Ų123106 Ų10686%0.8665%0.653SS**  trans-79.470.7-169.156.50000111.8S543 G547S543-S545 PolarHBondContact O-N 3.35Å; S545-G547 PolarHBondContact O-N 3.37Å
546Q30.1Very low42.8Very low169 Ų169111 Ų11179%0.7969%0.685SS**  trans-72.2110.8165.3-73.1-162.6-6.700109.9R449 S544 G548R449-Q546 PolarHBondContact NH2-O 3.49Å; S544-Q546 VanDerWaalsContact C-N 3.26Å; S544-Q546 PolarHBondContact O-N 3.38Å; Q546-G548 VanDerWaalsContact C-N 3.29Å; Q546-G548 PolarHBondContact O-N 2.74Å
547G33.8Very low40.7Very low88 Ų88112.7 Ų112.791%0.90770%0.699SS**  trans-73.768.4-175.500000114.2S545S545-G547 PolarHBondContact O-N 3.37Å
548G28.2Very low38.5Very low44 Ų44114.1 Ų114.145%0.45472%0.718SS.*  trans-81.6111.2162.200000110.3R449 Q546 C550R449-G548 VanDerWaalsContact CZ-O 3.32Å; R449-G548 PolarHBondContact NH1-O 2.89Å; R449-G548 PolarHBondContact NH2-O 2.96Å; Q546-G548 VanDerWaalsContact C-N 3.29Å; Q546-G548 PolarHBondContact O-N 2.74Å; G548-C550 PolarHBondContact O-N 3.01Å; G548-C550 VanDerWaalsContact O-N 3.16Å
549S30.3Very low37.3Very low111 Ų111120.2 Ų120.278%0.77677%0.766SS**  trans-72103.6179.8-177.40000111.4
550C32Very low35.9Very low96 Ų96117.8 Ų117.865%0.64977%0.765SS**PPolyproline II helixtrans-81.8116.4169.252.30000109.2R449 G548R449-C550 PolarHBondContact NH1-SG 3.33Å; R449-C550 VanDerWaalsContact NH1-SG 3.4Å; G548-C550 PolarHBondContact O-N 3.01Å; G548-C550 VanDerWaalsContact O-N 3.16Å
551N32.5Very low35.2Very low146 Ų146121.7 Ų121.778%0.78178%0.781SS**PPolyproline II helixtrans-62.5138.4-177.5-74.3-33.6000111.5L553N551-L553 PolarHBondContact O-N 3.42Å
552S34.8Very low34.9Very low116 Ų116123.7 Ų123.781%0.81180%0.796SS**PPolyproline II helixtrans-62.4129.5-179.9-167.60000111K554S552-K554 PolarHBondContact O-N 3.36Å
553L38.3Very low35.2Very low152 Ų152122.9 Ų122.980%0.79679%0.793SS**PPolyproline II helixtrans-62118.2176.6-73.3169.7000109.7N551 A555N551-L553 PolarHBondContact O-N 3.42Å; L553-A555 PolarHBondContact O-N 3.18Å
554K32.7Very low35.4Very low201 Ų201123.6 Ų123.687%0.87479%0.794SS**PPolyproline II helixtrans-75.1118.6-173.3-165.2176-175.6-179.40109.7S552S552-K554 PolarHBondContact O-N 3.36Å
555A34.9Very low36Very low83 Ų83125.2 Ų125.269%0.68680%0.8SS**PPolyproline II helixtrans-61.3142.7173.500000110.7L553L553-A555 PolarHBondContact O-N 3.18Å
556P42.7Very low36.3Very low113 Ų113125.4 Ų125.473%0.73480%0.796SS**PPolyproline II helixtrans-67.4147.3173.629.8-34.7000110.4
557P45.1Very low36.8Very low124 Ų124122 Ų12281%0.80580%0.796SS**PPolyproline II helixtrans-68.6134.4170.629.8-33.2000110.2
558S38.4Very low37Very low111 Ų111124.8 Ų124.878%0.77679%0.787SS**PPolyproline II helixtrans-68.3153161.5-59.30000110.2
559P54.3Low37.8Very low201 Ų201132.2 Ų132.2100%1.30582%0.818SS**  trans-68.7017531.6-36.9000113.1

Retrieved 559 of 559 residues in 191.2 ms (Link to these results)