G4VF05_SCHMA Loading...

Putative origin recognition complex subunit

AlphaFold DB , UniProt , Accession G4VF05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 485 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
1M41.1Very low60.7Low177 Ų17790 Ų9087%0.87250%0.499SS*.  0102.80-72.8178.5178.500107.6F3 F20M1-F3 PolarHBondContact O-N 3.4Å; M1-F20 HydrophobicContact SD-CE1 3.78Å; M1-F20 HydrophobicContact SD-CZ 4.09Å
2T33.2Very low63Low129 Ų12982.8 Ų82.879%0.79146%0.459SS*.  trans-76.9110.3173.741.60000107.8H4T2-H4 PolarHBondContact O-N 3.18Å
3F44.9Very low65Low73 Ų7382.1 Ų82.132%0.3245%0.45SS..  trans-60.9125.2171.5-74.2-88.3000108.6M1 T5 L8 Q17 F20M1-F3 PolarHBondContact O-N 3.4Å; F3-T5 PolarHBondContact O-N 3.31Å; F3-L8 HydrophobicContact CB-CD1 4.32Å; F3-L8 HydrophobicContact CD1-CD2 3.83Å; F3-L8 HydrophobicContact CE1-CD2 4.3Å; F3-L8 HydrophobicContact CG-CD2 4.26Å; F3-Q17 HydrophobicContact CE1-CG 4.42Å; F3-Q17 HydrophobicContact CE2-CG 3.94Å; F3-Q17 HydrophobicContact CZ-CG 3.88Å; F3-F20 HydrophobicContact CE1-CD1 4.31Å; F3-F20 HydrophobicContact CE1-CG 4.36Å; F3-F20 AromaticContact CZ-CD1 3.9Å; F3-F20 HydrophobicContact CZ-CD1 3.9Å; F3-F20 HydrophobicContact CZ-CE1 4.33Å; F3-F20 HydrophobicContact CZ-CG 4.3Å
4H44.9Very low66.8Low156 Ų15688.5 Ų88.572%0.72247%0.471SS*.  trans-65.4116.2164.9-72.1-68.6000107.4T2 G6 R7T2-H4 PolarHBondContact O-N 3.18Å; H4-G6 PolarHBondContact O-N 2.81Å; H4-R7 PolarHBondContact O-N 2.67Å; H4-R7 VanDerWaalsContact O-N 3.17Å
5T49.5Very low68.4Low134 Ų13485.7 Ų85.782%0.82245%0.454SS*.THydrogen-bonded Turntrans-54.4-16.8-172.829.70000114.8F3F3-T5 PolarHBondContact O-N 3.31Å
6G56.7Low69.8Low76 Ų7680.4 Ų80.478%0.78443%0.426SS*.THydrogen-bonded Turntrans-81.2-6.5179.300000116.3H4H4-G6 PolarHBondContact O-N 2.81Å
7R69.9Low70.9Confident113 Ų11380.3 Ų80.343%0.42642%0.423SS..SBendtrans-115.1-0.2-175.8-66-169176.4-1660.6115.5H4 Q16 L53 E56H4-R7 PolarHBondContact O-N 2.67Å; H4-R7 VanDerWaalsContact O-N 3.17Å; R7-Q16 PolarHBondContact O-NE2 3.29Å; R7-L53 HydrophobicContact CB-CD2 3.87Å; R7-L53 VanDerWaalsContact CD-CD2 3.45Å; R7-L53 HydrophobicContact CG-CD2 4.36Å; R7-E56 IonicContact CZ-OE1 2.81Å; R7-E56 IonicContact CZ-OE2 2.96Å; R7-E56 IonicContact NH1-OE1 3.69Å; R7-E56 PolarHBondContact NH1-OE1 3.36Å; R7-E56 IonicContact NH1-OE2 2.59Å; R7-E56 PolarHBondContact NH1-OE2 3.08Å; R7-E56 VanDerWaalsContact NH2-CD 3.3Å; R7-E56 IonicContact NH2-OE1 3.15Å; R7-E56 PolarHBondContact NH2-OE1 3.41Å; R7-E56 IonicContact NH2-OE2 2.95Å; R7-E56 PolarHBondContact NH2-OE2 3.19Å
8L78.3Confident72Confident34 Ų3480.6 Ų80.618%0.17842%0.42CS..SBendtrans-77134.3173.7-67171.4000109.6F3 V10 E13 Q16 Q17F3-L8 HydrophobicContact CB-CD1 4.32Å; F3-L8 HydrophobicContact CD1-CD2 3.83Å; F3-L8 HydrophobicContact CE1-CD2 4.3Å; F3-L8 HydrophobicContact CG-CD2 4.26Å; L8-V10 PolarHBondContact O-N 2.92Å; L8-E13 HydrophobicContact CB-CG 4.08Å; L8-Q16 HydrophobicContact CD2-CG 4.46Å; L8-Q17 HydrophobicContact CD2-CG 4.36Å
9L84Confident72.9Confident36 Ų3676.5 Ų76.519%0.18840%0.399CS..  trans-69.9115176.8-73.8170.1000109.9G11 R12 E13 V45 L46L9-G11 PolarHBondContact O-N 3.17Å; L9-G11 VanDerWaalsContact O-N 3.12Å; L9-R12 HydrophobicContact CB-CB 4.28Å; L9-R12 CarbonylContact O-C 3.53Å; L9-R12 PolarHBondContact O-N 3.09Å; L9-E13 PolarHBondContact O-N 2.93Å; L9-V45 HydrophobicContact CD1-CG1 4.39Å; L9-V45 HydrophobicContact CD2-CG1 3.63Å; L9-L46 HydrophobicContact CD1-CB 4.14Å
10V83.9Confident73.7Confident59 Ų5973.4 Ų73.436%0.35838%0.382SS..THydrogen-bonded Turntrans-54119.8179.1-177.40000109.7L8 R216L8-V10 PolarHBondContact O-N 2.92Å; V10-R216 HydrophobicContact CG1-CB 4.05Å
11G81.1Confident74.3Confident3 Ų372.7 Ų72.73%0.03138%0.383CS..THydrogen-bonded Turntrans87.2-7.3179.900000115.8L9 Q213L9-G11 PolarHBondContact O-N 3.17Å; L9-G11 VanDerWaalsContact O-N 3.12Å; G11-Q213 PolarHBondContact O-NE2 2.98Å
12R88.3Confident76.4Confident4 Ų465 Ų652%0.01535%0.345CS..  trans-129.325176.1-64.3-63.2177.4176.5-1114.5L9 K14 E15 Q16 L46 E207 Y209L9-R12 HydrophobicContact CB-CB 4.28Å; L9-R12 CarbonylContact O-C 3.53Å; L9-R12 PolarHBondContact O-N 3.09Å; R12-K14 VanDerWaalsContact C-N 3.28Å; R12-K14 PolarHBondContact O-N 3.35Å; R12-E15 VanDerWaalsContact CA-OE2 3.31Å; R12-E15 WeakPolarHBondContact CA-OE2 3.39Å; R12-E15 WeakPolarHBondContact CD-OE1 3.34Å; R12-E15 IonicContact CZ-OE1 3.6Å; R12-E15 IonicContact NE-OE1 3.34Å; R12-E15 IonicContact NH1-OE1 2.9Å; R12-E15 PolarHBondContact NH1-OE1 3.42Å; R12-E15 PolarHBondContact O-N 3.44Å; R12-Q16 WeakPolarHBondContact O-CB 3.34Å; R12-Q16 PolarHBondContact O-N 3.05Å; R12-L46 HydrophobicContact CB-CD1 4.04Å; R12-L46 HydrophobicContact CG-CD1 4.44Å; R12-E207 PolarHBondContact NH1-O 3.26Å; R12-E207 PolarHBondContact NH2-O 3.38Å; R12-Y209 HydrophobicContact CG-CE1 3.65Å
13E89.2Confident78.8Confident73 Ų7358.9 Ų58.934%0.34131%0.308SS..Hα-helixtrans-56.9-41.2-176.4-60.5154.4-147.400112.1L8 L9 Q17 R216L8-E13 HydrophobicContact CB-CG 4.08Å; L9-E13 PolarHBondContact O-N 2.93Å; E13-Q17 WeakPolarHBondContact O-CB 3.27Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 2.71Å; E13-R216 IonicContact OE1-NH1 2.67Å; E13-R216 PolarHBondContact OE1-NH1 3.33Å
14K90.1Very high80.3Confident172 Ų17256.5 Ų56.575%0.74830%0.3SS*.Hα-helixtrans-68.1-45.9-178.3-66-176.7-179.6-179.90111.6R12 Q17 F18R12-K14 VanDerWaalsContact C-N 3.28Å; R12-K14 PolarHBondContact O-N 3.35Å; K14-Q17 PolarHBondContact O-N 3.48Å; K14-F18 WeakPolarHBondContact O-CB 3.41Å; K14-F18 PolarHBondContact O-N 3.09Å
15E90.5Very high81.4Confident47 Ų4756 Ų5622%0.2230%0.296CS..Hα-helixtrans-67.1-39.2-180-60.795.1140.400111.4R12 F18 L19 L46R12-E15 VanDerWaalsContact CA-OE2 3.31Å; R12-E15 WeakPolarHBondContact CA-OE2 3.39Å; R12-E15 WeakPolarHBondContact CD-OE1 3.34Å; R12-E15 IonicContact CZ-OE1 3.6Å; R12-E15 IonicContact NE-OE1 3.34Å; R12-E15 IonicContact NH1-OE1 2.9Å; R12-E15 PolarHBondContact NH1-OE1 3.42Å; R12-E15 PolarHBondContact O-N 3.44Å; E15-F18 PolarHBondContact O-N 3.39Å; E15-L19 WeakPolarHBondContact O-CB 3.2Å; E15-L19 PolarHBondContact O-N 3.32Å; E15-L46 HydrophobicContact CB-CD1 3.66Å
16Q90.9Very high82.1Confident0 Ų053.7 Ų53.70%028%0.275CS..Hα-helixtrans-64.4-45.3174172165.23700111.9R7 L8 R12 F18 L19 F20 S49 T50R7-Q16 PolarHBondContact O-NE2 3.29Å; L8-Q16 HydrophobicContact CD2-CG 4.46Å; R12-Q16 WeakPolarHBondContact O-CB 3.34Å; R12-Q16 PolarHBondContact O-N 3.05Å; Q16-F18 VanDerWaalsContact C-N 3.32Å; Q16-F18 PolarHBondContact O-N 2.91Å; Q16-L19 PolarHBondContact O-N 3.47Å; Q16-F20 VanDerWaalsContact O-CB 3.24Å; Q16-F20 WeakPolarHBondContact O-CB 3.24Å; Q16-F20 PolarHBondContact O-N 3.41Å; Q16-S49 PolarHBondContact NE2-OG 2.91Å; Q16-S49 VanDerWaalsContact NE2-OG 3.15Å; Q16-T50 HydrophobicContact CB-CG2 3.94Å; Q16-T50 HydrophobicContact CG-CG2 3.56Å
17Q89.6Confident82.7Confident79 Ų7955.2 Ų55.237%0.36927%0.265SS..Hα-helixtrans-62.4-40.2175.5-74.9173.23.600111.9F3 L8 E13 K14 S21F3-Q17 HydrophobicContact CE1-CG 4.42Å; F3-Q17 HydrophobicContact CE2-CG 3.94Å; F3-Q17 HydrophobicContact CZ-CG 3.88Å; L8-Q17 HydrophobicContact CD2-CG 4.36Å; E13-Q17 WeakPolarHBondContact O-CB 3.27Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 2.71Å; K14-Q17 PolarHBondContact O-N 3.48Å; Q17-S21 WeakPolarHBondContact O-CB 3.35Å; Q17-S21 PolarHBondContact O-N 3.49Å; Q17-S21 PolarHBondContact O-OG 3.31Å
18F90.2Very high82.4Confident85 Ų8550.9 Ų50.937%0.37325%0.251SS..Hα-helixtrans-62.6-51.9176.6-178.4-109.1000111.3K14 E15 Q16 F20 S21 L22 Y202 I204K14-F18 WeakPolarHBondContact O-CB 3.41Å; K14-F18 PolarHBondContact O-N 3.09Å; E15-F18 PolarHBondContact O-N 3.39Å; Q16-F18 VanDerWaalsContact C-N 3.32Å; Q16-F18 PolarHBondContact O-N 2.91Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F18-F20 PolarHBondContact O-N 2.91Å; F18-S21 PolarHBondContact O-N 3.07Å; F18-S21 VanDerWaalsContact O-N 3.12Å; F18-S21 PolarHBondContact O-OG 3.46Å; F18-L22 HydrophobicContact CD1-CD1 3.94Å; F18-L22 HydrophobicContact CE1-CD1 3.48Å; F18-L22 VanDerWaalsContact CE1-CD1 3.48Å; F18-L22 HydrophobicContact CE1-CG 4.3Å; F18-L22 HydrophobicContact CE2-CD1 4.47Å; F18-L22 HydrophobicContact CE2-CD2 4.48Å; F18-L22 HydrophobicContact CE2-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.78Å; F18-L22 HydrophobicContact CZ-CD2 4.28Å; F18-L22 HydrophobicContact CZ-CG 4.24Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.12Å; F18-Y202 HydrophobicContact CE1-CE1 4.33Å; F18-Y202 HydrophobicContact CZ-CE1 4.38Å; F18-I204 HydrophobicContact CE1-CD1 4.35Å; F18-I204 HydrophobicContact CE1-CG1 4.43Å
19L89.1Confident81.9Confident3 Ų355.3 Ų55.32%0.01627%0.274CS..Hα-helixtrans-60.8-41.5178.3-171.562.2000111.9E15 Q16 S21 L22 I23 I35 L46 T50 I204E15-L19 WeakPolarHBondContact O-CB 3.2Å; E15-L19 PolarHBondContact O-N 3.32Å; Q16-L19 PolarHBondContact O-N 3.47Å; L19-S21 VanDerWaalsContact C-N 3.35Å; L19-S21 PolarHBondContact O-N 3.43Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 PolarHBondContact O-N 2.69Å; L19-I35 HydrophobicContact CD1-CD1 4.38Å; L19-I35 HydrophobicContact CD2-CD1 3.99Å; L19-L46 HydrophobicContact CD2-CD2 3.72Å; L19-T50 HydrophobicContact CB-CG2 4.34Å; L19-T50 HydrophobicContact CD2-CG2 3.93Å; L19-T50 WeakPolarHBondContact CD2-OG1 3.41Å; L19-T50 HydrophobicContact CG-CG2 4.49Å; L19-I204 HydrophobicContact CD1-CD1 3.8Å
20F88.2Confident81.7Confident15 Ų1554.8 Ų54.87%0.06627%0.274CS..Hα-helixtrans-60.7-42.6174.6-175.5-88.9000112M1 F3 Q16 F18 L22 I23 C24 L53 L54M1-F20 HydrophobicContact SD-CE1 3.78Å; M1-F20 HydrophobicContact SD-CZ 4.09Å; F3-F20 HydrophobicContact CE1-CD1 4.31Å; F3-F20 HydrophobicContact CE1-CG 4.36Å; F3-F20 AromaticContact CZ-CD1 3.9Å; F3-F20 HydrophobicContact CZ-CD1 3.9Å; F3-F20 HydrophobicContact CZ-CE1 4.33Å; F3-F20 HydrophobicContact CZ-CG 4.3Å; Q16-F20 VanDerWaalsContact O-CB 3.24Å; Q16-F20 WeakPolarHBondContact O-CB 3.24Å; Q16-F20 PolarHBondContact O-N 3.41Å; F18-F20 VanDerWaalsContact C-N 3.32Å; F18-F20 PolarHBondContact O-N 2.91Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.02Å; F20-I23 PolarHBondContact O-N 2.9Å; F20-C24 HydrophobicContact CD1-CB 4.3Å; F20-C24 HydrophobicContact CE1-CB 3.96Å; F20-C24 HydrophobicContact CZ-CB 4.12Å; F20-C24 VanDerWaalsContact O-CB 3.27Å; F20-C24 WeakPolarHBondContact O-CB 3.22Å; F20-C24 PolarHBondContact O-N 3.16Å; F20-L53 HydrophobicContact CD2-CB 4.39Å; F20-L53 HydrophobicContact CE2-CB 4.36Å; F20-L54 HydrophobicContact CD2-CD2 3.51Å; F20-L54 HydrophobicContact CD2-CG 3.8Å; F20-L54 HydrophobicContact CE2-CD2 3.61Å; F20-L54 HydrophobicContact CE2-CG 4.07Å; F20-L54 HydrophobicContact CG-CD2 4.19Å; F20-L54 HydrophobicContact CZ-CD2 4.36Å
21S86.8Confident81.7Confident59 Ų5953.8 Ų53.841%0.41327%0.268SS..Hα-helixtrans-67.4-29.5179.477.20000113.8Q17 F18 L19Q17-S21 WeakPolarHBondContact O-CB 3.35Å; Q17-S21 PolarHBondContact O-N 3.49Å; Q17-S21 PolarHBondContact O-OG 3.31Å; F18-S21 PolarHBondContact O-N 3.07Å; F18-S21 VanDerWaalsContact O-N 3.12Å; F18-S21 PolarHBondContact O-OG 3.46Å; L19-S21 VanDerWaalsContact C-N 3.35Å; L19-S21 PolarHBondContact O-N 3.43Å
22L85.9Confident82.1Confident14 Ų1453.8 Ų53.87%0.07327%0.267CS..Hα-helixtrans-73.2-39.2177.3-71.1176.1000112F18 L19 F20 L29 Y202 I204F18-L22 HydrophobicContact CD1-CD1 3.94Å; F18-L22 HydrophobicContact CE1-CD1 3.48Å; F18-L22 VanDerWaalsContact CE1-CD1 3.48Å; F18-L22 HydrophobicContact CE1-CG 4.3Å; F18-L22 HydrophobicContact CE2-CD1 4.47Å; F18-L22 HydrophobicContact CE2-CD2 4.48Å; F18-L22 HydrophobicContact CE2-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.78Å; F18-L22 HydrophobicContact CZ-CD2 4.28Å; F18-L22 HydrophobicContact CZ-CG 4.24Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 3.12Å; L19-L22 PolarHBondContact O-N 3.42Å; F20-L22 VanDerWaalsContact C-N 3.31Å; F20-L22 PolarHBondContact O-N 3.02Å; L22-L29 HydrophobicContact CD2-CD1 3.46Å; L22-L29 VanDerWaalsContact CD2-CD1 3.46Å; L22-Y202 HydrophobicContact CD1-CD1 4.44Å; L22-Y202 HydrophobicContact CD1-CE1 3.94Å; L22-I204 HydrophobicContact CD1-CD1 3.87Å
23I83.7Confident82.3Confident2 Ų253.6 Ų53.61%0.0127%0.267CS..Hα-helixtrans-95.4-33.7-171.9-58171.3000112.5L19 F20 K25 F51 L54 F180L19-I23 HydrophobicContact CD1-CD1 3.85Å; L19-I23 HydrophobicContact CG-CD1 4.03Å; L19-I23 PolarHBondContact O-N 2.69Å; F20-I23 PolarHBondContact O-N 2.9Å; I23-K25 CarbonylContact O-C 3.6Å; I23-K25 PolarHBondContact O-N 3.31Å; I23-K25 VanDerWaalsContact O-N 3.16Å; I23-K25 VanDerWaalsContact O-O 3.13Å; I23-F51 HydrophobicContact CD1-CE2 4.15Å; I23-F51 HydrophobicContact CD1-CZ 3.93Å; I23-L54 HydrophobicContact CB-CD1 3.78Å; I23-L54 HydrophobicContact CB-CD2 4.3Å; I23-L54 HydrophobicContact CD1-CD1 3.96Å; I23-L54 HydrophobicContact CG1-CD1 4.46Å; I23-L54 HydrophobicContact CG2-CD1 3.69Å; I23-L54 HydrophobicContact CG2-CD2 4.33Å; I23-F180 HydrophobicContact CD1-CE2 4.22Å; I23-F180 HydrophobicContact CG2-CE1 4.39Å; I23-F180 HydrophobicContact CG2-CE2 4.3Å; I23-F180 HydrophobicContact CG2-CZ 3.78Å
24C76.2Confident82.5Confident23 Ų2350.1 Ų50.116%0.15525%0.25CS..SBendtrans-69.1-16.8-175.2-172.90000113.3F20 K26 L54 C58F20-C24 HydrophobicContact CD1-CB 4.3Å; F20-C24 HydrophobicContact CE1-CB 3.96Å; F20-C24 HydrophobicContact CZ-CB 4.12Å; F20-C24 VanDerWaalsContact O-CB 3.27Å; F20-C24 WeakPolarHBondContact O-CB 3.22Å; F20-C24 PolarHBondContact O-N 3.16Å; C24-K26 PolarHBondContact O-N 3.07Å; C24-L54 HydrophobicContact CB-CD2 3.71Å; C24-C58 HydrophobicContact CB-CB 4.36Å; C24-C58 WeakPolarHBondContact CB-SG 3.34Å; C24-C58 WeakPolarHBondContact SG-CB 3.28Å; C24-C58 CovalentContact SG-SG 2.09Å; C24-C58 PolarHBondContact SG-SG 2.94Å
25K68.6Low82.7Confident145 Ų14542 Ų4263%0.6322%0.215SC*.SBendtrans-66.8107.8163.4-65.7-176.6-175.51790105.9I23 N27I23-K25 CarbonylContact O-C 3.6Å; I23-K25 PolarHBondContact O-N 3.31Å; I23-K25 VanDerWaalsContact O-N 3.16Å; I23-K25 VanDerWaalsContact O-O 3.13Å; K25-N27 CarbonylContact O-C 3.55Å; K25-N27 WeakPolarHBondContact O-CA 3.35Å; K25-N27 PolarHBondContact O-N 3.25Å; K25-N27 VanDerWaalsContact O-O 3.12Å
26K63.3Low82.9Confident86 Ų8640.1 Ų40.137%0.37421%0.207SC..SBendtrans-52.2-3.8-174-62.5-177.5174.7-1770115.8C24 Q133C24-K26 PolarHBondContact O-N 3.07Å; K26-Q133 VanDerWaalsContact CB-OE1 3.22Å; K26-Q133 HydrophobicContact CD-CB 4.36Å; K26-Q133 VanDerWaalsContact O-CD 3.25Å; K26-Q133 PolarHBondContact O-NE2 3.34Å; K26-Q133 PolarHBondContact O-OE1 3.42Å
27N68.3Low83Confident107 Ų10740.5 Ų40.557%0.57221%0.211SC*.SBendtrans-110.2102.5159.2-69.2-29.3000109.6K25 L29 Q133K25-N27 CarbonylContact O-C 3.55Å; K25-N27 WeakPolarHBondContact O-CA 3.35Å; K25-N27 PolarHBondContact O-N 3.25Å; K25-N27 VanDerWaalsContact O-O 3.12Å; N27-L29 PolarHBondContact O-N 2.97Å; N27-Q133 PolarHBondContact OD1-NE2 3.29Å
28P65.3Low83.1Confident23 Ų2339.2 Ų39.215%0.14921%0.21CC..  trans-61.5138.1176.225.9-33000110.1S30 F33 F180P28-S30 PolarHBondContact O-N 3.31Å; P28-F33 HydrophobicContact CB-CE2 4.14Å; P28-F33 HydrophobicContact CB-CZ 4.33Å; P28-F180 HydrophobicContact CG-CB 4.33Å; P28-F180 HydrophobicContact CG-CD1 4.46Å
29L67.6Low83.1Confident126 Ų12639.6 Ų39.666%0.6622%0.221SC*.SBendtrans-61.4-26.7-178.3-79.3144.2000113.7L22 N27L22-L29 HydrophobicContact CD2-CD1 3.46Å; L22-L29 VanDerWaalsContact CD2-CD1 3.46Å; N27-L29 PolarHBondContact O-N 2.97Å
30S78.2Confident83Confident26 Ų2640.6 Ų40.618%0.18223%0.232CC..  trans-139.4148.6178.6177.80000109.1P28 C32 F33P28-S30 PolarHBondContact O-N 3.31Å; S30-C32 VanDerWaalsContact C-N 3.26Å; S30-C32 PolarHBondContact OG-N 2.97Å; S30-C32 VanDerWaalsContact OG-N 3.14Å; S30-C32 PolarHBondContact OG-O 2.09Å; S30-F33 WeakPolarHBondContact O-CE2 3.19Å
31T84.2Confident83.2Confident38 Ų3840 Ų4023%0.23323%0.229CC..SBendtrans-75.5-17.4171.9530000112.5A162 F180 T181T31-A162 HydrophobicContact CG2-CB 4.39Å; T31-F180 CarbonylContact O-C 3.57Å; T31-F180 VanDerWaalsContact O-CA 3.27Å; T31-F180 WeakPolarHBondContact O-CA 3.49Å; T31-T181 PolarHBondContact O-N 2.99Å
32C90.2Very high83.3Confident2 Ų238.2 Ų38.21%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-136.9126.4179.1-1700000111.5S30 V158 T181 P201 Y202S30-C32 VanDerWaalsContact C-N 3.26Å; S30-C32 PolarHBondContact OG-N 2.97Å; S30-C32 VanDerWaalsContact OG-N 3.14Å; S30-C32 PolarHBondContact OG-O 2.09Å; C32-V158 HydrophobicContact CB-CG1 4.45Å; C32-V158 WeakPolarHBondContact CB-O 3.34Å; C32-T181 CarbonylContact C-O 3.53Å; C32-T181 WeakPolarHBondContact CA-O 3.29Å; C32-T181 PolarHBondContact SG-OG1 3.46Å; C32-P201 HydrophobicContact CB-CB 3.88Å; C32-P201 WeakPolarHBondContact O-CA 3.08Å; C32-P201 WeakPolarHBondContact O-CB 3.4Å; C32-Y202 PolarHBondContact O-N 3.31Å
33F92.4Very high83.6Confident0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-114.5142173.5-61-85.6000109.8P28 S30 F180 T181 V182 L183 Y202P28-F33 HydrophobicContact CB-CE2 4.14Å; P28-F33 HydrophobicContact CB-CZ 4.33Å; S30-F33 WeakPolarHBondContact O-CE2 3.19Å; F33-F180 HydrophobicContact CD2-CD2 4.12Å; F33-F180 HydrophobicContact CE2-CD2 4.22Å; F33-T181 PolarHBondContact N-O 3.33Å; F33-V182 HydrophobicContact CB-CG2 4.23Å; F33-V182 HydrophobicContact CD2-CG2 4.41Å; F33-V182 CarbonylContact O-C 3.59Å; F33-V182 VanDerWaalsContact O-CA 3.3Å; F33-V182 WeakPolarHBondContact O-CA 3.46Å; F33-L183 PolarHBondContact O-N 3.03Å; F33-Y202 WeakPolarHBondContact CA-O 3.31Å; F33-Y202 AromaticContact CD1-CD1 3.92Å; F33-Y202 HydrophobicContact CD1-CD1 3.92Å; F33-Y202 HydrophobicContact CD1-CG 4.3Å; F33-Y202 HydrophobicContact CE1-CD1 4.2Å; F33-Y202 HydrophobicContact CE1-CG 4.45Å
34V93.4Very high83.9Confident0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-122.5117.9178.8171.50000108.5T36 L183 T185 W189 P201 Y202 V203 I204V34-T36 HydrophobicContact CG1-CG2 3.56Å; V34-L183 CarbonylContact C-O 3.55Å; V34-L183 WeakPolarHBondContact CA-O 3Å; V34-L183 HydrophobicContact CG2-CB 4.09Å; V34-L183 HydrophobicContact CG2-CD1 4.08Å; V34-L183 HydrophobicContact CG2-CG 4.4Å; V34-T185 HydrophobicContact CG1-CG2 4.26Å; V34-W189 HydrophobicContact CB-CE3 4.35Å; V34-W189 HydrophobicContact CG1-CD2 4.38Å; V34-W189 HydrophobicContact CG1-CE3 3.8Å; V34-W189 HydrophobicContact CG1-CZ3 4.46Å; V34-W189 HydrophobicContact CG2-CD2 4.22Å; V34-W189 HydrophobicContact CG2-CE3 3.74Å; V34-W189 HydrophobicContact CG2-CH2 4.3Å; V34-W189 HydrophobicContact CG2-CZ3 3.76Å; V34-P201 HydrophobicContact CG2-CB 3.67Å; V34-P201 HydrophobicContact CG2-CG 3.55Å; V34-Y202 PolarHBondContact N-O 3.07Å; V34-V203 HydrophobicContact CB-CG2 4.23Å; V34-V203 HydrophobicContact CG1-CG1 4.35Å; V34-V203 CarbonylContact O-C 3.59Å; V34-V203 WeakPolarHBondContact O-CA 3.32Å; V34-I204 PolarHBondContact O-N 3.08Å
35I94.8Very high84.7Confident1 Ų143.8 Ų43.81%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-103.3108.3177.5-59.3173.9000108.3L19 K43 V47 V182 L183 T185 I204 V206L19-I35 HydrophobicContact CD1-CD1 4.38Å; L19-I35 HydrophobicContact CD2-CD1 3.99Å; I35-K43 HydrophobicContact CG2-CB 4.4Å; I35-K43 HydrophobicContact CG2-CD 4.26Å; I35-K43 HydrophobicContact CG2-CG 4.32Å; I35-V47 HydrophobicContact CD1-CG2 3.36Å; I35-V182 HydrophobicContact CD1-CG1 3.69Å; I35-V182 HydrophobicContact CG1-CG1 4.13Å; I35-L183 PolarHBondContact N-O 2.63Å; I35-T185 PolarHBondContact O-N 3.06Å; I35-I204 WeakPolarHBondContact CA-O 3.33Å; I35-I204 HydrophobicContact CG1-CB 4.44Å; I35-V206 HydrophobicContact CG2-CG2 3.81Å
36T94.4Very high85.8Confident8 Ų837.1 Ų37.15%0.04923%0.226CC..EExtended strand (participates in β ladder)trans-106.5151.9-176.962.30000111.5V34 T185 L187 V203 I204 V206V34-T36 HydrophobicContact CG1-CG2 3.56Å; T36-T185 WeakPolarHBondContact CA-O 3.44Å; T36-T185 HydrophobicContact CG2-CG2 3.7Å; T36-L187 WeakPolarHBondContact CG2-O 3.44Å; T36-V203 HydrophobicContact CG2-CG1 4.04Å; T36-I204 PolarHBondContact N-O 3.44Å; T36-I204 PolarHBondContact OG1-O 3.36Å; T36-V206 PolarHBondContact O-N 3.26Å
37G92.6Very high87.2Confident8 Ų833 Ų338%0.08221%0.208CC..  trans162.1165.7171.200000113.7K43 T185 R186 V206G37-K43 WeakPolarHBondContact O-CE 3.46Å; G37-K43 PolarHBondContact O-NZ 3.4Å; G37-T185 PolarHBondContact N-O 2.88Å; G37-R186 VanDerWaalsContact O-CA 3.29Å; G37-R186 WeakPolarHBondContact O-CA 3.43Å; G37-V206 WeakPolarHBondContact CA-O 3.29Å
38P92.5Very high88.3Confident53 Ų5329.3 Ų29.334%0.34419%0.19SC..  trans-62.8159.4-177.225.9-33.2000113C41 K43 V206P38-C41 HydrophobicContact CG-CB 4.31Å; P38-C41 PolarHBondContact O-SG 3.25Å; P38-K43 PolarHBondContact O-NZ 3.23Å; P38-V206 WeakPolarHBondContact CD-O 3.29Å
39P90.1Very high89.6Confident93 Ų9329.1 Ų29.160%0.60419%0.189SC*.THydrogen-bonded Turntrans-60.9142.6173.327.3-34.2000110.5C41P39-C41 PolarHBondContact O-N 2.95Å
40G87.3Confident90.7Very high24 Ų2423.1 Ų23.125%0.24716%0.158CC..THydrogen-bonded Turntrans81.13.8176.900000116.7G42 N248 A249G40-G42 PolarHBondContact O-N 3.47Å; G40-N248 WeakPolarHBondContact CA-OD1 3.08Å; G40-A249 PolarHBondContact O-N 3.3Å
41C90.6Very high91.3Very high3 Ų321.9 Ų21.92%0.0215%0.149CC..SBendtrans-81.53.6172.766.10000114.4P38 P39 K43 V206 E207 Y209P38-C41 HydrophobicContact CG-CB 4.31Å; P38-C41 PolarHBondContact O-SG 3.25Å; P39-C41 PolarHBondContact O-N 2.95Å; C41-K43 WeakPolarHBondContact SG-CG 3.45Å; C41-V206 HydrophobicContact CB-CG1 4.37Å; C41-E207 WeakPolarHBondContact CB-O 3.18Å; C41-Y209 WeakPolarHBondContact O-CE2 3.26Å; C41-Y209 VanDerWaalsContact O-CZ 3.25Å; C41-Y209 PolarHBondContact O-OH 3.12Å
42G89.3Confident91.7Very high21 Ų2124.8 Ų24.822%0.21616%0.16CC..  trans82.518.2174.800000115.7G40 S44 V45 L46G40-G42 PolarHBondContact O-N 3.47Å; G42-S44 PolarHBondContact O-N 3.15Å; G42-V45 PolarHBondContact O-N 3.43Å; G42-V45 VanDerWaalsContact O-N 3.17Å; G42-L46 WeakPolarHBondContact O-CB 3.46Å; G42-L46 PolarHBondContact O-N 3.38Å
43K91.9Very high91.6Very high19 Ų1925.4 Ų25.48%0.08316%0.163CC..Hα-helixtrans-51.8-49.9180-60.4-177.6-62-700113.6I35 G37 P38 C41 V45 L46 V47 V184 T185 V206I35-K43 HydrophobicContact CG2-CB 4.4Å; I35-K43 HydrophobicContact CG2-CD 4.26Å; I35-K43 HydrophobicContact CG2-CG 4.32Å; G37-K43 WeakPolarHBondContact O-CE 3.46Å; G37-K43 PolarHBondContact O-NZ 3.4Å; P38-K43 PolarHBondContact O-NZ 3.23Å; C41-K43 WeakPolarHBondContact SG-CG 3.45Å; K43-V45 VanDerWaalsContact C-N 3.34Å; K43-V45 PolarHBondContact O-N 3.15Å; K43-L46 WeakPolarHBondContact O-CB 3.38Å; K43-L46 PolarHBondContact O-N 2.77Å; K43-V47 WeakPolarHBondContact O-CB 3.44Å; K43-V47 VanDerWaalsContact O-CG2 3.3Å; K43-V47 WeakPolarHBondContact O-CG2 3.48Å; K43-V47 PolarHBondContact O-N 2.94Å; K43-V184 HydrophobicContact CB-CG1 3.89Å; K43-V184 HydrophobicContact CD-CG1 4.42Å; K43-T185 VanDerWaalsContact CE-O 3.31Å; K43-T185 WeakPolarHBondContact CE-O 3.41Å; K43-V206 HydrophobicContact CG-CB 4.17Å; K43-V206 HydrophobicContact CG-CG1 4.42Å; K43-V206 HydrophobicContact CG-CG2 4.4Å
44S91.6Very high91.4Very high49 Ų4925.4 Ų25.434%0.34316%0.163SC..Hα-helixtrans-59.8-44.9179.1-650000111.7G42 L46 V47 S48 E141G42-S44 PolarHBondContact O-N 3.15Å; S44-L46 PolarHBondContact O-N 3.12Å; S44-V47 PolarHBondContact O-N 2.9Å; S44-S48 PolarHBondContact O-N 2.9Å; S44-S48 PolarHBondContact O-OG 3.18Å; S44-S48 VanDerWaalsContact O-OG 3.13Å; S44-E141 WeakPolarHBondContact CB-OE1 3.43Å; S44-E141 PolarHBondContact OG-OE1 3.32Å
45V91.5Very high91.1Very high88 Ų8828.4 Ų28.453%0.53318%0.177SC..Hα-helixtrans-65.2-40.7177-179.20000111.2L9 G42 K43 S49L9-V45 HydrophobicContact CD1-CG1 4.39Å; L9-V45 HydrophobicContact CD2-CG1 3.63Å; G42-V45 PolarHBondContact O-N 3.43Å; G42-V45 VanDerWaalsContact O-N 3.17Å; K43-V45 VanDerWaalsContact C-N 3.34Å; K43-V45 PolarHBondContact O-N 3.15Å; V45-S49 WeakPolarHBondContact O-CB 3.46Å; V45-S49 PolarHBondContact O-N 3Å
46L92.7Very high90.7Very high5 Ų534.2 Ų34.23%0.02620%0.204CC..Hα-helixtrans-56.6-51173.6-177.7143000111.1L9 R12 E15 L19 G42 K43 S44 T50L9-L46 HydrophobicContact CD1-CB 4.14Å; R12-L46 HydrophobicContact CB-CD1 4.04Å; R12-L46 HydrophobicContact CG-CD1 4.44Å; E15-L46 HydrophobicContact CB-CD1 3.66Å; L19-L46 HydrophobicContact CD2-CD2 3.72Å; G42-L46 WeakPolarHBondContact O-CB 3.46Å; G42-L46 PolarHBondContact O-N 3.38Å; K43-L46 WeakPolarHBondContact O-CB 3.38Å; K43-L46 PolarHBondContact O-N 2.77Å; S44-L46 PolarHBondContact O-N 3.12Å; L46-T50 HydrophobicContact CD2-CG2 4.37Å; L46-T50 HydrophobicContact CG-CG2 4.38Å; L46-T50 VanDerWaalsContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CB 3.47Å; L46-T50 WeakPolarHBondContact O-CG2 3.36Å; L46-T50 PolarHBondContact O-N 3.43Å; L46-T50 PolarHBondContact O-OG1 3.28Å
47V92.8Very high90.2Very high0 Ų037.1 Ų37.10%023%0.225CC..Hα-helixtrans-63.1-57179.6173.20000110.5I35 K43 S44 S49 T50 F51 I139 V184I35-V47 HydrophobicContact CD1-CG2 3.36Å; K43-V47 WeakPolarHBondContact O-CB 3.44Å; K43-V47 VanDerWaalsContact O-CG2 3.3Å; K43-V47 WeakPolarHBondContact O-CG2 3.48Å; K43-V47 PolarHBondContact O-N 2.94Å; S44-V47 PolarHBondContact O-N 2.9Å; V47-S49 PolarHBondContact O-N 3.37Å; V47-T50 WeakPolarHBondContact CA-OG1 3.47Å; V47-T50 PolarHBondContact O-N 3.03Å; V47-T50 VanDerWaalsContact O-N 3.13Å; V47-T50 PolarHBondContact O-OG1 2.89Å; V47-F51 HydrophobicContact CG1-CD2 3.78Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 VanDerWaalsContact O-CD2 3.28Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.59Å; V47-I139 HydrophobicContact CG1-CD1 3.62Å; V47-I139 HydrophobicContact CG1-CG1 4.33Å; V47-I139 HydrophobicContact CG1-CG2 3.58Å; V47-V184 HydrophobicContact CG2-CG2 3.93Å
48S92.1Very high89.7Confident29 Ų2937.8 Ų37.820%0.20323%0.228CC..Hα-helixtrans-55.4-48.2-179-580000112.6S44 T50 F51 E52S44-S48 PolarHBondContact O-N 2.9Å; S44-S48 PolarHBondContact O-OG 3.18Å; S44-S48 VanDerWaalsContact O-OG 3.13Å; S48-T50 PolarHBondContact O-N 3.31Å; S48-F51 PolarHBondContact O-N 2.84Å; S48-E52 WeakPolarHBondContact O-CB 3.31Å; S48-E52 VanDerWaalsContact O-CG 3.28Å; S48-E52 WeakPolarHBondContact O-CG 3.18Å; S48-E52 PolarHBondContact O-N 3.02Å
49S91.4Very high89.2Confident19 Ų1936 Ų3613%0.13322%0.22CC..Hα-helixtrans-65.8-37.5179.4-177.80000112.8Q16 V45 V47 L53Q16-S49 PolarHBondContact NE2-OG 2.91Å; Q16-S49 VanDerWaalsContact NE2-OG 3.15Å; V45-S49 WeakPolarHBondContact O-CB 3.46Å; V45-S49 PolarHBondContact O-N 3Å; V47-S49 PolarHBondContact O-N 3.37Å; S49-L53 WeakPolarHBondContact O-CG 3.32Å; S49-L53 PolarHBondContact O-N 2.64Å
50T91.7Very high89.1Confident0 Ų031.9 Ų31.90%019%0.193CC..Hα-helixtrans-66.2-39.4175.659.30000112.3Q16 L19 L46 V47 S48 L53 L54Q16-T50 HydrophobicContact CB-CG2 3.94Å; Q16-T50 HydrophobicContact CG-CG2 3.56Å; L19-T50 HydrophobicContact CB-CG2 4.34Å; L19-T50 HydrophobicContact CD2-CG2 3.93Å; L19-T50 WeakPolarHBondContact CD2-OG1 3.41Å; L19-T50 HydrophobicContact CG-CG2 4.49Å; L46-T50 HydrophobicContact CD2-CG2 4.37Å; L46-T50 HydrophobicContact CG-CG2 4.38Å; L46-T50 VanDerWaalsContact O-CB 3.32Å; L46-T50 WeakPolarHBondContact O-CB 3.47Å; L46-T50 WeakPolarHBondContact O-CG2 3.36Å; L46-T50 PolarHBondContact O-N 3.43Å; L46-T50 PolarHBondContact O-OG1 3.28Å; V47-T50 WeakPolarHBondContact CA-OG1 3.47Å; V47-T50 PolarHBondContact O-N 3.03Å; V47-T50 VanDerWaalsContact O-N 3.13Å; V47-T50 PolarHBondContact O-OG1 2.89Å; S48-T50 PolarHBondContact O-N 3.31Å; T50-L53 WeakPolarHBondContact O-CB 2.97Å; T50-L53 PolarHBondContact O-N 3.34Å; T50-L54 VanDerWaalsContact O-CG 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.26Å; T50-L54 PolarHBondContact O-N 3.01Å
51F90.9Very high89.2Confident0 Ų031.5 Ų31.50%019%0.185CC..Hα-helixtrans-75.8-35.5-178.7-86.3-95.2000112.6I23 V47 S48 L53 L54 E55 W62 I139 F180 V182I23-F51 HydrophobicContact CD1-CE2 4.15Å; I23-F51 HydrophobicContact CD1-CZ 3.93Å; V47-F51 HydrophobicContact CG1-CD2 3.78Å; V47-F51 HydrophobicContact CG1-CE2 3.89Å; V47-F51 VanDerWaalsContact O-CD2 3.28Å; V47-F51 WeakPolarHBondContact O-CD2 3.48Å; V47-F51 PolarHBondContact O-N 2.59Å; S48-F51 PolarHBondContact O-N 2.84Å; F51-L53 VanDerWaalsContact C-N 3.3Å; F51-L53 PolarHBondContact O-N 3.48Å; F51-L54 PolarHBondContact O-N 3.31Å; F51-E55 WeakPolarHBondContact O-CB 3.36Å; F51-E55 PolarHBondContact O-N 2.73Å; F51-W62 HydrophobicContact CB-CD2 3.79Å; F51-W62 HydrophobicContact CB-CE3 4.32Å; F51-W62 HydrophobicContact CB-CG 3.92Å; F51-W62 HydrophobicContact CB-CZ2 4.36Å; F51-W62 HydrophobicContact CD1-CB 3.57Å; F51-W62 HydrophobicContact CD1-CD2 4.28Å; F51-W62 AromaticContact CD1-CG 3.72Å; F51-W62 HydrophobicContact CD1-CG 3.72Å; F51-W62 HydrophobicContact CE1-CB 4.07Å; F51-W62 HydrophobicContact CG-CB 4.47Å; F51-W62 HydrophobicContact CG-CD2 4.35Å; F51-W62 HydrophobicContact CG-CG 4.22Å; F51-I139 HydrophobicContact CB-CD1 4.22Å; F51-I139 HydrophobicContact CD1-CD1 3.79Å; F51-I139 HydrophobicContact CD2-CD1 3.58Å; F51-I139 HydrophobicContact CE1-CD1 3.9Å; F51-I139 HydrophobicContact CE1-CG1 4.19Å; F51-I139 HydrophobicContact CE2-CD1 3.72Å; F51-I139 HydrophobicContact CE2-CG1 4.23Å; F51-I139 HydrophobicContact CG-CD1 3.59Å; F51-I139 HydrophobicContact CZ-CD1 3.85Å; F51-I139 HydrophobicContact CZ-CG1 4.01Å; F51-F180 AromaticContact CE1-CE2 3.79Å; F51-F180 HydrophobicContact CE1-CE2 3.79Å; F51-F180 AromaticContact CE1-CZ 3.63Å; F51-F180 HydrophobicContact CE1-CZ 3.63Å; F51-F180 AromaticContact CZ-CE2 3.73Å; F51-F180 HydrophobicContact CZ-CE2 3.73Å; F51-F180 HydrophobicContact CZ-CZ 4.06Å; F51-V182 HydrophobicContact CE2-CG2 4.27Å; F51-V182 HydrophobicContact CZ-CG2 3.72Å
52E90.7Very high89.3Confident99 Ų9932 Ų3246%0.46319%0.187SC..Hα-helixtrans-58.2-42.8168.2-73.7167.7-169.800111.3S48 E55 E56 W62S48-E52 WeakPolarHBondContact O-CB 3.31Å; S48-E52 VanDerWaalsContact O-CG 3.28Å; S48-E52 WeakPolarHBondContact O-CG 3.18Å; S48-E52 PolarHBondContact O-N 3.02Å; E52-E55 PolarHBondContact O-N 3.46Å; E52-E56 PolarHBondContact O-N 3.26Å; E52-W62 HydrophobicContact CG-CZ2 4.06Å
53L89.3Confident89.4Confident15 Ų1531.1 Ų31.18%0.07918%0.177CC..Hα-helixtrans-65.2-38174.7-75.5176.3000113.1R7 F20 S49 T50 F51 S57R7-L53 HydrophobicContact CB-CD2 3.87Å; R7-L53 VanDerWaalsContact CD-CD2 3.45Å; R7-L53 HydrophobicContact CG-CD2 4.36Å; F20-L53 HydrophobicContact CD2-CB 4.39Å; F20-L53 HydrophobicContact CE2-CB 4.36Å; S49-L53 WeakPolarHBondContact O-CG 3.32Å; S49-L53 PolarHBondContact O-N 2.64Å; T50-L53 WeakPolarHBondContact O-CB 2.97Å; T50-L53 PolarHBondContact O-N 3.34Å; F51-L53 VanDerWaalsContact C-N 3.3Å; F51-L53 PolarHBondContact O-N 3.48Å; L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 2.88Å; L53-S57 PolarHBondContact O-OG 2.69Å
54L87.9Confident89.5Confident0 Ų033.3 Ų33.30%019%0.189CC..Hα-helixtrans-71.7-36.5178.6-73.7164.8000112.3F20 I23 C24 T50 F51 C58 G59 V60F20-L54 HydrophobicContact CD2-CD2 3.51Å; F20-L54 HydrophobicContact CD2-CG 3.8Å; F20-L54 HydrophobicContact CE2-CD2 3.61Å; F20-L54 HydrophobicContact CE2-CG 4.07Å; F20-L54 HydrophobicContact CG-CD2 4.19Å; F20-L54 HydrophobicContact CZ-CD2 4.36Å; I23-L54 HydrophobicContact CB-CD1 3.78Å; I23-L54 HydrophobicContact CB-CD2 4.3Å; I23-L54 HydrophobicContact CD1-CD1 3.96Å; I23-L54 HydrophobicContact CG1-CD1 4.46Å; I23-L54 HydrophobicContact CG2-CD1 3.69Å; I23-L54 HydrophobicContact CG2-CD2 4.33Å; C24-L54 HydrophobicContact CB-CD2 3.71Å; T50-L54 VanDerWaalsContact O-CG 3.26Å; T50-L54 WeakPolarHBondContact O-CG 3.26Å; T50-L54 PolarHBondContact O-N 3.01Å; F51-L54 PolarHBondContact O-N 3.31Å; L54-C58 CarbonylContact O-C 3.52Å; L54-C58 WeakPolarHBondContact O-CA 3.29Å; L54-C58 PolarHBondContact O-N 3.02Å; L54-G59 PolarHBondContact O-N 3.48Å; L54-G59 VanDerWaalsContact O-N 3.15Å; L54-V60 HydrophobicContact CB-CB 4.13Å; L54-V60 HydrophobicContact CB-CG2 4.27Å; L54-V60 PolarHBondContact O-N 3.15Å
55E87.5Confident89.5Confident63 Ų6331 Ų3129%0.29417%0.173SC..Hα-helixtrans-60.4-47.1174-173.7165.3-153.600110.1F51 E52 G59 V60 W62 R97F51-E55 WeakPolarHBondContact O-CB 3.36Å; F51-E55 PolarHBondContact O-N 2.73Å; E52-E55 PolarHBondContact O-N 3.46Å; E55-G59 VanDerWaalsContact O-CA 3.29Å; E55-G59 WeakPolarHBondContact O-CA 3.26Å; E55-G59 PolarHBondContact O-N 3.23Å; E55-V60 VanDerWaalsContact CA-O 3.26Å; E55-V60 WeakPolarHBondContact CA-O 3.33Å; E55-V60 WeakPolarHBondContact CB-O 3.43Å; E55-W62 PolarHBondContact OE2-NE1 2.91Å; E55-R97 IonicContact OE1-NH2 2.73Å; E55-R97 IonicContact OE2-NH2 3.74Å; E55-R97 PolarHBondContact OE2-NH2 3.08Å
56E85.8Confident89.4Confident122 Ų12227.6 Ų27.657%0.5715%0.153SC*.Hα-helixtrans-73.1-39.3178.4-70.1-174.8-149.600114.4R7 E52R7-E56 IonicContact CZ-OE1 2.81Å; R7-E56 IonicContact CZ-OE2 2.96Å; R7-E56 IonicContact NH1-OE1 3.69Å; R7-E56 PolarHBondContact NH1-OE1 3.36Å; R7-E56 IonicContact NH1-OE2 2.59Å; R7-E56 PolarHBondContact NH1-OE2 3.08Å; R7-E56 VanDerWaalsContact NH2-CD 3.3Å; R7-E56 IonicContact NH2-OE1 3.15Å; R7-E56 PolarHBondContact NH2-OE1 3.41Å; R7-E56 IonicContact NH2-OE2 2.95Å; R7-E56 PolarHBondContact NH2-OE2 3.19Å; E52-E56 PolarHBondContact O-N 3.26Å
57S84Confident89.2Confident70 Ų7027.3 Ų27.349%0.4915%0.152SC..Hα-helixtrans-87.7-39.7-171.3-54.10000113.3L53L53-S57 WeakPolarHBondContact O-CB 3.34Å; L53-S57 PolarHBondContact O-N 2.88Å; L53-S57 PolarHBondContact O-OG 2.69Å
58C81.6Confident88.7Confident21 Ų2130.2 Ų30.214%0.14217%0.167CC..Hα-helixtrans-119.4-3.3-169.5-37.40000111.7C24 L54 V60C24-C58 HydrophobicContact CB-CB 4.36Å; C24-C58 WeakPolarHBondContact CB-SG 3.34Å; C24-C58 WeakPolarHBondContact SG-CB 3.28Å; C24-C58 CovalentContact SG-SG 2.09Å; C24-C58 PolarHBondContact SG-SG 2.94Å; L54-C58 CarbonylContact O-C 3.52Å; L54-C58 WeakPolarHBondContact O-CA 3.29Å; L54-C58 PolarHBondContact O-N 3.02Å; C58-V60 VanDerWaalsContact C-N 3.33Å; C58-V60 HydrophobicContact CB-CG2 4.16Å
59G82.9Confident88Confident16 Ų1634.7 Ų34.717%0.16518%0.184CC..  trans72.224179.700000113.6L54 E55L54-G59 PolarHBondContact O-N 3.48Å; L54-G59 VanDerWaalsContact O-N 3.15Å; E55-G59 VanDerWaalsContact O-CA 3.29Å; E55-G59 WeakPolarHBondContact O-CA 3.26Å; E55-G59 PolarHBondContact O-N 3.23Å
60V86.7Confident86.9Confident7 Ų734.2 Ų34.24%0.04218%0.181CC..  trans-76125.5-178.7179.40000109.6L54 E55 C58 C135 F180L54-V60 HydrophobicContact CB-CB 4.13Å; L54-V60 HydrophobicContact CB-CG2 4.27Å; L54-V60 PolarHBondContact O-N 3.15Å; E55-V60 VanDerWaalsContact CA-O 3.26Å; E55-V60 WeakPolarHBondContact CA-O 3.33Å; E55-V60 WeakPolarHBondContact CB-O 3.43Å; C58-V60 VanDerWaalsContact C-N 3.33Å; C58-V60 HydrophobicContact CB-CG2 4.16Å; V60-C135 HydrophobicContact CG1-CB 4.42Å; V60-C135 HydrophobicContact CG2-CB 4.4Å; V60-F180 HydrophobicContact CG1-CE1 4.11Å; V60-F180 HydrophobicContact CG1-CZ 4.17Å
61L90Very high85.5Confident16 Ų1637.2 Ų37.28%0.08419%0.194CC..EExtended strand (participates in β ladder)trans-86.7147.7173.9-58.1-171.1000110Y98 I125 N129 C135 V136 G137L61-Y98 WeakPolarHBondContact CA-OH 3.42Å; L61-Y98 HydrophobicContact CB-CE1 4.12Å; L61-Y98 HydrophobicContact CB-CE2 3.96Å; L61-Y98 HydrophobicContact CD1-CD1 4.01Å; L61-Y98 HydrophobicContact CD1-CE1 4.01Å; L61-Y98 HydrophobicContact CD1-CE2 4.48Å; L61-Y98 HydrophobicContact CD1-CG 4.27Å; L61-Y98 HydrophobicContact CD2-CD1 4.26Å; L61-Y98 HydrophobicContact CD2-CE1 3.59Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; L61-I125 HydrophobicContact CD1-CG2 3.32Å; L61-N129 WeakPolarHBondContact CD1-ND2 3.49Å; L61-C135 PolarHBondContact N-O 2.99Å; L61-V136 HydrophobicContact CB-CG2 4.26Å; L61-V136 CarbonylContact O-C 2.99Å; L61-V136 VanDerWaalsContact O-CA 3.27Å; L61-V136 WeakPolarHBondContact O-CA 3.37Å; L61-G137 PolarHBondContact O-N 3.32Å
62W92.2Very high83.9Confident14 Ų1443.5 Ų43.55%0.05323%0.233CC..EExtended strand (participates in β ladder)trans-153.3151.817963.5-77.7000113F51 E52 E55 L64 R97 Y98 G137 I139F51-W62 HydrophobicContact CB-CD2 3.79Å; F51-W62 HydrophobicContact CB-CE3 4.32Å; F51-W62 HydrophobicContact CB-CG 3.92Å; F51-W62 HydrophobicContact CB-CZ2 4.36Å; F51-W62 HydrophobicContact CD1-CB 3.57Å; F51-W62 HydrophobicContact CD1-CD2 4.28Å; F51-W62 AromaticContact CD1-CG 3.72Å; F51-W62 HydrophobicContact CD1-CG 3.72Å; F51-W62 HydrophobicContact CE1-CB 4.07Å; F51-W62 HydrophobicContact CG-CB 4.47Å; F51-W62 HydrophobicContact CG-CD2 4.35Å; F51-W62 HydrophobicContact CG-CG 4.22Å; E52-W62 HydrophobicContact CG-CZ2 4.06Å; E55-W62 PolarHBondContact OE2-NE1 2.91Å; W62-L64 HydrophobicContact CE3-CB 4.46Å; W62-L64 HydrophobicContact CZ3-CB 3.96Å; W62-L64 HydrophobicContact CZ3-CD1 4.35Å; W62-R97 VanDerWaalsContact CE2-NH2 3.29Å; W62-R97 VanDerWaalsContact O-CD 3.31Å; W62-R97 WeakPolarHBondContact O-CD 3.27Å; W62-R97 PolarHBondContact O-NE 2.79Å; W62-R97 VanDerWaalsContact O-NE 3.15Å; W62-R97 PolarHBondContact O-NH1 3.15Å; W62-Y98 PolarHBondContact N-OH 2.97Å; W62-Y98 PolarHBondContact O-OH 3.39Å; W62-G137 CarbonylContact C-O 3.07Å; W62-G137 WeakPolarHBondContact CA-O 3.45Å; W62-G137 WeakPolarHBondContact CB-O 3.27Å; W62-I139 HydrophobicContact CB-CD1 4.42Å; W62-I139 HydrophobicContact CD2-CD1 4.13Å; W62-I139 HydrophobicContact CE3-CD1 3.39Å; W62-I139 HydrophobicContact CE3-CG1 4.39Å; W62-I139 HydrophobicContact CZ3-CD1 3.96Å
63A92.4Very high82Confident2 Ų241.9 Ų41.92%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-128.8135.1174.300000109.9I94 G137 L138 I139A63-I94 HydrophobicContact CB-CG1 4.16Å; A63-G137 PolarHBondContact N-O 3.45Å; A63-L138 HydrophobicContact CB-CD2 4.1Å; A63-I139 PolarHBondContact O-N 2.91Å
64L92.8Very high80.2Confident65 Ų6543.5 Ų43.534%0.3425%0.253SS..EExtended strand (participates in β ladder)trans-95.6128174.9-169.2150.3000109.3W62 E141W62-L64 HydrophobicContact CE3-CB 4.46Å; W62-L64 HydrophobicContact CZ3-CB 3.96Å; W62-L64 HydrophobicContact CZ3-CD1 4.35Å; L64-E141 HydrophobicContact CD1-CG 4.23Å; L64-E141 HydrophobicContact CD2-CG 4.09Å; L64-E141 HydrophobicContact CG-CG 4.11Å
65I91.9Very high78.3Confident1 Ų153.4 Ų53.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-128111.8-173.6-58.5173.5000107.1C67 F86 L89 I90 L138 I139 F140 E141I65-C67 PolarHBondContact O-N 2.75Å; I65-F86 HydrophobicContact CG2-CE2 3.97Å; I65-L89 HydrophobicContact CG2-CD2 3.64Å; I65-I90 HydrophobicContact CD1-CB 4.14Å; I65-I90 HydrophobicContact CD1-CG1 3.9Å; I65-I90 HydrophobicContact CD1-CG2 3.88Å; I65-I90 HydrophobicContact CG2-CG1 4.34Å; I65-L138 HydrophobicContact CD1-CB 4.43Å; I65-L138 HydrophobicContact CD1-CD2 4.42Å; I65-I139 PolarHBondContact N-O 3.37Å; I65-F140 HydrophobicContact CB-CD1 4.12Å; I65-F140 HydrophobicContact CB-CE1 4.3Å; I65-F140 HydrophobicContact CD1-CE1 4Å; I65-F140 HydrophobicContact CD1-CZ 4.18Å; I65-F140 HydrophobicContact CG2-CD1 3.99Å; I65-F140 HydrophobicContact CG2-CE1 4.03Å; I65-F140 WeakPolarHBondContact O-CA 3.48Å; I65-E141 PolarHBondContact O-N 3.49Å
66S90.3Very high76.3Confident15 Ų1552.4 Ų52.411%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-78.6116.9175.2177.10000109.9L68 E69S66-L68 PolarHBondContact O-N 2.93Å; S66-L68 VanDerWaalsContact O-N 3.13Å; S66-L68 PolarHBondContact OG-N 3.45Å; S66-E69 PolarHBondContact O-N 3.2Å
67C87.3Confident74.3Confident0 Ų053.6 Ų53.60%032%0.321CS..THydrogen-bonded Turntrans-67.4-9.1174.9-650000112.9I65 S70 F71 E141 R145 L146I65-C67 PolarHBondContact O-N 2.75Å; C67-S70 PolarHBondContact O-OG 3.31Å; C67-F71 WeakPolarHBondContact O-CD2 3.4Å; C67-F71 WeakPolarHBondContact O-CE2 3.3Å; C67-E141 WeakPolarHBondContact CB-O 3.23Å; C67-E141 PolarHBondContact N-O 2.84Å; C67-E141 PolarHBondContact SG-O 3.43Å; C67-E141 VanDerWaalsContact SG-O 3.39Å; C67-R145 HydrophobicContact CB-CB 4.26Å; C67-L146 HydrophobicContact CB-CD2 4.42Å
68L83.9Confident72.1Confident61 Ų6153.8 Ų53.832%0.31932%0.322SS..THydrogen-bonded Turntrans-82.3-33.4173.8-76-179.7000113.5S66 S70 F71 Q142 R145S66-L68 PolarHBondContact O-N 2.93Å; S66-L68 VanDerWaalsContact O-N 3.13Å; S66-L68 PolarHBondContact OG-N 3.45Å; L68-S70 PolarHBondContact O-N 3.22Å; L68-F71 WeakPolarHBondContact O-CB 3.36Å; L68-F71 PolarHBondContact O-N 2.69Å; L68-Q142 HydrophobicContact CG-CB 4.5Å; L68-R145 HydrophobicContact CD2-CG 3.76Å
69E77.4Confident70.5Confident122 Ų12256.9 Ų56.957%0.5736%0.357SS*.G310 helixtrans-63.2-27.7-173.5-74.6175.3179.400112.7S66 F71 V72 L89S66-E69 PolarHBondContact O-N 3.2Å; E69-F71 VanDerWaalsContact C-N 3.26Å; E69-F71 PolarHBondContact O-N 3.36Å; E69-V72 WeakPolarHBondContact O-CG2 3.21Å; E69-V72 PolarHBondContact O-N 3.22Å; E69-L89 HydrophobicContact CB-CD1 4.2Å
70S68.4Low69Low10 Ų1059.8 Ų59.87%0.0738%0.38CS..G310 helixtrans-68.7-16172.855.10000115.5C67 L68 V72 R149C67-S70 PolarHBondContact O-OG 3.31Å; L68-S70 PolarHBondContact O-N 3.22Å; S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.15Å; S70-R149 PolarHBondContact OG-NH2 3.1Å
71F61.6Low67.6Low63 Ų6361.9 Ų61.928%0.27639%0.393SS..G310 helixtrans-80.2-8.4-179.2-78.9-95.9000112.9C67 L68 E69 G73 R145 D148 R149C67-F71 WeakPolarHBondContact O-CD2 3.4Å; C67-F71 WeakPolarHBondContact O-CE2 3.3Å; L68-F71 WeakPolarHBondContact O-CB 3.36Å; L68-F71 PolarHBondContact O-N 2.69Å; E69-F71 VanDerWaalsContact C-N 3.26Å; E69-F71 PolarHBondContact O-N 3.36Å; F71-G73 PolarHBondContact O-N 2.96Å; F71-R145 HydrophobicContact CE2-CB 3.6Å; F71-R145 HydrophobicContact CE2-CG 4.19Å; F71-R145 HydrophobicContact CZ-CB 3.9Å; F71-R145 HydrophobicContact CZ-CG 4.49Å; F71-R145 WeakPolarHBondContact CZ-O 3.32Å; F71-D148 HydrophobicContact CE1-CB 4.42Å; F71-D148 HydrophobicContact CZ-CB 4.25Å; F71-R149 HydrophobicContact CZ-CG 4.46Å
72V57.1Low66.6Low132 Ų13262.2 Ų62.280%0.840%0.396SS*.THydrogen-bonded Turntrans-72.5-0.7-164.9-179.90000113.9E69 S70E69-V72 WeakPolarHBondContact O-CG2 3.21Å; E69-V72 PolarHBondContact O-N 3.22Å; S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.15Å
73G51.8Low65.9Low64 Ų6462.4 Ų62.466%0.6640%0.4SS*.THydrogen-bonded Turntrans-127.1-6.2-174.200000118.8F71F71-G73 PolarHBondContact O-N 2.96Å
74T50.2Low65.4Low50 Ų5066.6 Ų66.631%0.30742%0.416SS..  trans-114.222.5-157.154.90000116.4
75Q49.5Very low64.9Low207 Ų20769.9 Ų69.997%0.96742%0.424SS*.SBendtrans-84.14.2166.9-63.3-137300113.6
76G44.1Very low64.6Low43 Ų4369.9 Ų69.944%0.44342%0.424SS..SBendtrans-110.4113.217100000112.1C78G76-C78 VanDerWaalsContact C-N 3.26Å; G76-C78 PolarHBondContact O-N 3.31Å
77T44.6Very low64.5Low146 Ų14669.6 Ų69.690%0.89642%0.422SS*.SBendtrans43.7-4.2148.453.60000123.3
78C38.1Very low64.6Low75 Ų7571.3 Ų71.351%0.50743%0.43SS..  trans-123.479.3-178.7-64.50000110.8G76 A80 T81G76-C78 VanDerWaalsContact C-N 3.26Å; G76-C78 PolarHBondContact O-N 3.31Å; C78-A80 PolarHBondContact O-N 2.86Å; C78-T81 HydrophobicContact CB-CG2 4.21Å; C78-T81 PolarHBondContact O-N 2.91Å; C78-T81 PolarHBondContact O-OG1 2.98Å
79G48.5Very low64.8Low85 Ų8570.2 Ų70.288%0.87642%0.424SS*.THydrogen-bonded Turntrans-65.49.3-177.700000116.8
80A50Low65.4Low78 Ų7864.4 Ų64.465%0.64540%0.397SS*.THydrogen-bonded Turntrans-117.4-3.9-178.300000114.1C78C78-A80 PolarHBondContact O-N 2.86Å
81T57.8Low66.5Low50 Ų5064 Ų6431%0.30739%0.393SS..SBendtrans-97.9-10.5-173.256.60000114.2C78 S83 R84 Y85C78-T81 HydrophobicContact CB-CG2 4.21Å; C78-T81 PolarHBondContact O-N 2.91Å; C78-T81 PolarHBondContact O-OG1 2.98Å; T81-S83 PolarHBondContact O-N 2.96Å; T81-R84 PolarHBondContact O-N 2.88Å; T81-Y85 WeakPolarHBondContact O-CD2 3.38Å; T81-Y85 PolarHBondContact O-N 2.72Å
82S68.6Low67.8Low23 Ų2365.9 Ų65.916%0.16140%0.403CS..Hα-helixtrans-67.4-37.3-172.8-171.40000113.4R149S82-R149 PolarHBondContact O-NH1 3.48Å
83S77.5Confident69.3Low19 Ų1960.9 Ų60.913%0.13337%0.374CS..Hα-helixtrans-69.7-43178.153.60000111.5T81 Y85 F86 L87 E150T81-S83 PolarHBondContact O-N 2.96Å; S83-Y85 PolarHBondContact O-N 2.76Å; S83-F86 WeakPolarHBondContact O-CB 3.33Å; S83-F86 PolarHBondContact O-N 2.84Å; S83-F86 VanDerWaalsContact O-N 3.17Å; S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 3.29Å; S83-E150 WeakPolarHBondContact CB-OE2 3.26Å; S83-E150 VanDerWaalsContact OG-CD 3.31Å; S83-E150 PolarHBondContact OG-OE1 3.14Å; S83-E150 VanDerWaalsContact OG-OE1 3.13Å; S83-E150 PolarHBondContact OG-OE2 2.57Å
84R81.7Confident71.1Confident90 Ų9057.9 Ų57.934%0.3434%0.343SS..Hα-helixtrans-54-54.9177.4-179.9173.3-178.9156.99.8112.8T81 F86 L87 E88 S107 C108T81-R84 PolarHBondContact O-N 2.88Å; R84-F86 PolarHBondContact O-N 3.43Å; R84-F86 VanDerWaalsContact O-N 3.16Å; R84-L87 PolarHBondContact O-N 2.95Å; R84-L87 VanDerWaalsContact O-N 3.08Å; R84-E88 HydrophobicContact CG-CG 4.31Å; R84-E88 IonicContact CZ-OE1 2.94Å; R84-E88 IonicContact NE-OE1 2.68Å; R84-E88 PolarHBondContact NE-OE1 3.4Å; R84-E88 IonicContact NH2-OE1 3.63Å; R84-E88 WeakPolarHBondContact O-CG 3.23Å; R84-E88 PolarHBondContact O-N 3.23Å; R84-S107 PolarHBondContact NH2-OG 3.13Å; R84-C108 WeakPolarHBondContact CD-O 3.16Å; R84-C108 WeakPolarHBondContact CG-O 3.43Å; R84-C108 PolarHBondContact NE-O 2.82Å
85Y82.8Confident72.9Confident134 Ų13456.9 Ų56.953%0.52533%0.334SS..Hα-helixtrans-58.1-33.9-179.1-72.1-62.5000112.7T81 S83 L89T81-Y85 WeakPolarHBondContact O-CD2 3.38Å; T81-Y85 PolarHBondContact O-N 2.72Å; S83-Y85 PolarHBondContact O-N 2.76Å; Y85-L89 WeakPolarHBondContact O-CB 3.33Å; Y85-L89 PolarHBondContact O-N 2.84Å
86F86.6Confident74.7Confident0 Ų050.8 Ų50.80%031%0.314CS..Hα-helixtrans-72.2-41.6176.9176-117.6000113.2I65 S83 R84 E88 L89 I90 F140 L146 R149 V153 I157I65-F86 HydrophobicContact CG2-CE2 3.97Å; S83-F86 WeakPolarHBondContact O-CB 3.33Å; S83-F86 PolarHBondContact O-N 2.84Å; S83-F86 VanDerWaalsContact O-N 3.17Å; R84-F86 PolarHBondContact O-N 3.43Å; R84-F86 VanDerWaalsContact O-N 3.16Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-L89 PolarHBondContact O-N 3.13Å; F86-I90 HydrophobicContact CD1-CD1 4.1Å; F86-I90 HydrophobicContact CE1-CD1 3.8Å; F86-I90 HydrophobicContact CE2-CD1 4.49Å; F86-I90 HydrophobicContact CE2-CG1 4.45Å; F86-I90 HydrophobicContact CZ-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CG1 4.42Å; F86-I90 WeakPolarHBondContact O-CG1 3.35Å; F86-I90 PolarHBondContact O-N 3.18Å; F86-F140 HydrophobicContact CE1-CE1 4.36Å; F86-F140 HydrophobicContact CE2-CD1 4.32Å; F86-F140 HydrophobicContact CE2-CE1 4.26Å; F86-F140 AromaticContact CZ-CD1 3.76Å; F86-F140 HydrophobicContact CZ-CD1 3.76Å; F86-F140 AromaticContact CZ-CE1 3.59Å; F86-F140 HydrophobicContact CZ-CE1 3.59Å; F86-L146 HydrophobicContact CE1-CD2 3.76Å; F86-L146 HydrophobicContact CE2-CD2 4.47Å; F86-L146 HydrophobicContact CZ-CD2 3.64Å; F86-R149 VanDerWaalsContact CB-NH2 3.31Å; F86-R149 VanDerWaalsContact CG-CZ 3.46Å; F86-R149 VanDerWaalsContact CG-NH1 3.32Å; F86-V153 HydrophobicContact CD1-CG1 4.09Å; F86-V153 HydrophobicContact CE1-CG1 4.01Å; F86-I157 HydrophobicContact CE1-CD1 4.05Å; F86-I157 HydrophobicContact CE1-CG1 4.18Å
87L87.8Confident76.7Confident10 Ų1053.6 Ų53.65%0.05231%0.311CS..Hα-helixtrans-61.9-43.6174.8-64.1-179.4000111S83 R84 L89 I90 L91 F114 L156S83-L87 WeakPolarHBondContact O-CG 3.48Å; S83-L87 PolarHBondContact O-N 3.29Å; R84-L87 PolarHBondContact O-N 2.95Å; R84-L87 VanDerWaalsContact O-N 3.08Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.2Å; L87-I90 HydrophobicContact CD2-CD1 4.27Å; L87-I90 WeakPolarHBondContact O-CB 3.37Å; L87-I90 PolarHBondContact O-N 3.01Å; L87-L91 PolarHBondContact O-N 3.45Å; L87-L91 VanDerWaalsContact O-N 3.16Å; L87-F114 HydrophobicContact CB-CD2 3.74Å; L87-F114 HydrophobicContact CB-CE2 4.13Å; L87-F114 HydrophobicContact CB-CG 4.12Å; L87-F114 HydrophobicContact CD1-CB 4.24Å; L87-F114 HydrophobicContact CD1-CG 4.28Å; L87-F114 HydrophobicContact CD2-CD1 3.97Å; L87-F114 HydrophobicContact CD2-CD2 4.22Å; L87-F114 HydrophobicContact CD2-CE1 3.93Å; L87-F114 HydrophobicContact CD2-CE2 4.19Å; L87-F114 HydrophobicContact CD2-CG 4.11Å; L87-F114 HydrophobicContact CD2-CZ 4.05Å; L87-F114 HydrophobicContact CG-CD2 4.42Å; L87-F114 HydrophobicContact CG-CG 4.39Å; L87-F114 WeakPolarHBondContact O-CE2 3.42Å; L87-L156 HydrophobicContact CD2-CD2 4.12Å
88E88.2Confident78.7Confident36 Ų3648.6 Ų48.617%0.16828%0.276CS..Hα-helixtrans-63.5-38.8175.1-64.9-177.3172.100111.7R84 F86 I90 L91 Q92 I106 C108R84-E88 HydrophobicContact CG-CG 4.31Å; R84-E88 IonicContact CZ-OE1 2.94Å; R84-E88 IonicContact NE-OE1 2.68Å; R84-E88 PolarHBondContact NE-OE1 3.4Å; R84-E88 IonicContact NH2-OE1 3.63Å; R84-E88 WeakPolarHBondContact O-CG 3.23Å; R84-E88 PolarHBondContact O-N 3.23Å; F86-E88 VanDerWaalsContact C-N 3.33Å; E88-I90 PolarHBondContact O-N 3.49Å; E88-L91 PolarHBondContact O-N 3.43Å; E88-Q92 VanDerWaalsContact O-CB 3.32Å; E88-Q92 WeakPolarHBondContact O-CB 3.45Å; E88-Q92 PolarHBondContact O-N 3.28Å; E88-I106 WeakPolarHBondContact CG-O 3.43Å; E88-C108 HydrophobicContact CG-CB 4.17Å; E88-C108 PolarHBondContact OE1-N 2.92Å; E88-C108 VanDerWaalsContact OE1-N 3.12Å
89L88.4Confident81Confident38 Ų3845.1 Ų45.120%0.19925%0.252CS..Hα-helixtrans-63.1-38.9174.8-175.1150.6000112I65 E69 Y85 F86 L87 Q92 S93I65-L89 HydrophobicContact CG2-CD2 3.64Å; E69-L89 HydrophobicContact CB-CD1 4.2Å; Y85-L89 WeakPolarHBondContact O-CB 3.33Å; Y85-L89 PolarHBondContact O-N 2.84Å; F86-L89 PolarHBondContact O-N 3.13Å; L87-L89 VanDerWaalsContact C-N 3.34Å; L87-L89 PolarHBondContact O-N 3.2Å; L89-Q92 PolarHBondContact O-N 3.28Å; L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 2.95Å; L89-S93 PolarHBondContact O-OG 3.48Å
90I90.7Very high82.5Confident0 Ų045.6 Ų45.60%024%0.24CC..Hα-helixtrans-59.4-50.6173.7-64.1163.6000109.7I65 F86 L87 E88 Q92 S93 I94 F114 L138 F140 I157I65-I90 HydrophobicContact CD1-CB 4.14Å; I65-I90 HydrophobicContact CD1-CG1 3.9Å; I65-I90 HydrophobicContact CD1-CG2 3.88Å; I65-I90 HydrophobicContact CG2-CG1 4.34Å; F86-I90 HydrophobicContact CD1-CD1 4.1Å; F86-I90 HydrophobicContact CE1-CD1 3.8Å; F86-I90 HydrophobicContact CE2-CD1 4.49Å; F86-I90 HydrophobicContact CE2-CG1 4.45Å; F86-I90 HydrophobicContact CZ-CD1 4.02Å; F86-I90 HydrophobicContact CZ-CG1 4.42Å; F86-I90 WeakPolarHBondContact O-CG1 3.35Å; F86-I90 PolarHBondContact O-N 3.18Å; L87-I90 HydrophobicContact CD2-CD1 4.27Å; L87-I90 WeakPolarHBondContact O-CB 3.37Å; L87-I90 PolarHBondContact O-N 3.01Å; E88-I90 PolarHBondContact O-N 3.49Å; I90-Q92 PolarHBondContact O-N 3.17Å; I90-S93 PolarHBondContact O-N 3.47Å; I90-S93 PolarHBondContact O-OG 3Å; I90-I94 HydrophobicContact CG2-CD1 4.18Å; I90-I94 WeakPolarHBondContact O-CG1 3.3Å; I90-I94 PolarHBondContact O-N 2.94Å; I90-F114 HydrophobicContact CB-CE2 4.07Å; I90-F114 HydrophobicContact CB-CZ 4.28Å; I90-F114 HydrophobicContact CD1-CE2 4.42Å; I90-F114 HydrophobicContact CD1-CZ 4.05Å; I90-F114 HydrophobicContact CG2-CE2 4.11Å; I90-F114 HydrophobicContact CG2-CZ 4.01Å; I90-L138 HydrophobicContact CG2-CD1 4Å; I90-F140 HydrophobicContact CD1-CE1 3.8Å; I90-F140 HydrophobicContact CD1-CZ 4.03Å; I90-F140 HydrophobicContact CG1-CE1 3.94Å; I90-F140 HydrophobicContact CG1-CZ 4.32Å; I90-I157 HydrophobicContact CD1-CD1 3.77Å
91L91.2Very high83.9Confident0 Ų049.4 Ų49.40%025%0.245CC..Hα-helixtrans-61.7-43.5178.8-62.5-172.3000112.1L87 E88 S93 I94 K95 I106 C108 F114 N117 L118 I121L87-L91 PolarHBondContact O-N 3.45Å; L87-L91 VanDerWaalsContact O-N 3.16Å; E88-L91 PolarHBondContact O-N 3.43Å; L91-S93 PolarHBondContact O-N 2.81Å; L91-I94 PolarHBondContact O-N 3.16Å; L91-K95 VanDerWaalsContact O-CB 3.28Å; L91-K95 WeakPolarHBondContact O-CB 3.46Å; L91-K95 PolarHBondContact O-N 3.34Å; L91-I106 HydrophobicContact CB-CG2 3.93Å; L91-C108 WeakPolarHBondContact CD1-SG 3.35Å; L91-F114 HydrophobicContact CD1-CD2 4.04Å; L91-F114 HydrophobicContact CD2-CD2 3.75Å; L91-F114 HydrophobicContact CD2-CE2 3.55Å; L91-F114 HydrophobicContact CG-CD2 3.75Å; L91-F114 HydrophobicContact CG-CE2 3.75Å; L91-N117 HydrophobicContact CD1-CB 3.68Å; L91-L118 HydrophobicContact CD2-CB 3.74Å; L91-L118 HydrophobicContact CD2-CD1 3.91Å; L91-L118 HydrophobicContact CD2-CG 4.38Å; L91-I121 HydrophobicContact CB-CD1 4.17Å; L91-I121 HydrophobicContact CD2-CD1 4.06Å
92Q89.4Confident84.8Confident103 Ų10348 Ų4848%0.48124%0.238SC..Hα-helixtrans-62.5-41.8178.8-172.9174.1-2.600111.6E88 L89 I90 I94 K95 C96 I106E88-Q92 VanDerWaalsContact O-CB 3.32Å; E88-Q92 WeakPolarHBondContact O-CB 3.45Å; E88-Q92 PolarHBondContact O-N 3.28Å; L89-Q92 PolarHBondContact O-N 3.28Å; I90-Q92 PolarHBondContact O-N 3.17Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 3.43Å; Q92-K95 PolarHBondContact O-N 2.86Å; Q92-C96 VanDerWaalsContact O-CB 3.27Å; Q92-C96 WeakPolarHBondContact O-CB 3.41Å; Q92-C96 PolarHBondContact O-N 3.04Å; Q92-C96 PolarHBondContact O-SG 3Å; Q92-C96 VanDerWaalsContact O-SG 3.35Å; Q92-I106 HydrophobicContact CB-CG2 4.09Å
93S88.2Confident85.4Confident28 Ų2855.1 Ų55.120%0.19627%0.274CS..Hα-helixtrans-61.1-41.5-179.972.40000112.5L89 I90 L91 R97L89-S93 WeakPolarHBondContact O-CB 3.24Å; L89-S93 PolarHBondContact O-N 2.95Å; L89-S93 PolarHBondContact O-OG 3.48Å; I90-S93 PolarHBondContact O-N 3.47Å; I90-S93 PolarHBondContact O-OG 3Å; L91-S93 PolarHBondContact O-N 2.81Å; S93-R97 WeakPolarHBondContact O-CB 3.39Å; S93-R97 PolarHBondContact O-N 3.46Å
94I89.1Confident85.5Confident0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-73.3-45.9179-59.6165.4000110.1A63 I90 L91 Q92 R97 Y98 L118 I121 I125 L138A63-I94 HydrophobicContact CB-CG1 4.16Å; I90-I94 HydrophobicContact CG2-CD1 4.18Å; I90-I94 WeakPolarHBondContact O-CG1 3.3Å; I90-I94 PolarHBondContact O-N 2.94Å; L91-I94 PolarHBondContact O-N 3.16Å; Q92-I94 VanDerWaalsContact C-N 3.34Å; Q92-I94 PolarHBondContact O-N 3.43Å; I94-R97 PolarHBondContact O-N 3.16Å; I94-Y98 HydrophobicContact CG2-CD2 4.43Å; I94-Y98 PolarHBondContact O-N 2.97Å; I94-Y98 VanDerWaalsContact O-N 3.08Å; I94-L118 HydrophobicContact CD1-CD1 3.45Å; I94-L118 VanDerWaalsContact CD1-CD1 3.45Å; I94-I121 HydrophobicContact CB-CG2 4.44Å; I94-I121 HydrophobicContact CG2-CG2 3.68Å; I94-I125 HydrophobicContact CG2-CD1 3.63Å; I94-L138 HydrophobicContact CD1-CD1 4.06Å; I94-L138 HydrophobicContact CD1-CD2 3.43Å; I94-L138 VanDerWaalsContact CD1-CD2 3.43Å; I94-L138 HydrophobicContact CD1-CG 4.37Å; I94-L138 HydrophobicContact CG1-CD2 3.62Å
95K88.9Confident85.3Confident29 Ų2954.8 Ų54.813%0.12628%0.283CS..Hα-helixtrans-62.1-50.9-179.4-175-173.6175.7176.90111.5L91 Q92 R97 Y98 L99 A102 L104 I106L91-K95 VanDerWaalsContact O-CB 3.28Å; L91-K95 WeakPolarHBondContact O-CB 3.46Å; L91-K95 PolarHBondContact O-N 3.34Å; Q92-K95 PolarHBondContact O-N 2.86Å; K95-R97 PolarHBondContact O-N 3.38Å; K95-Y98 PolarHBondContact O-N 3.4Å; K95-L99 HydrophobicContact CG-CB 4.46Å; K95-L99 WeakPolarHBondContact CG-O 3.41Å; K95-L99 CarbonylContact O-C 3.48Å; K95-L99 VanDerWaalsContact O-CA 3.3Å; K95-L99 WeakPolarHBondContact O-CA 3.39Å; K95-L99 PolarHBondContact O-N 2.93Å; K95-A102 WeakPolarHBondContact CE-O 3.35Å; K95-A102 PolarHBondContact NZ-O 3.35Å; K95-L104 PolarHBondContact NZ-O 3.27Å; K95-I106 HydrophobicContact CD-CD1 3.55Å; K95-I106 HydrophobicContact CD-CG1 3.71Å
96C86.9Confident85.2Confident79 Ų7950.6 Ų50.653%0.53427%0.269SS..Hα-helixtrans-61.9-31.1-179.4-72.20000112.6Q92Q92-C96 VanDerWaalsContact O-CB 3.27Å; Q92-C96 WeakPolarHBondContact O-CB 3.41Å; Q92-C96 PolarHBondContact O-N 3.04Å; Q92-C96 PolarHBondContact O-SG 3Å; Q92-C96 VanDerWaalsContact O-SG 3.35Å
97R86Confident85Confident102 Ų10253.7 Ų53.739%0.38529%0.29SS..Hα-helixtrans-79.6-39-179-169.7169.1178149.7-6.9113.4E55 W62 S93 I94 K95E55-R97 IonicContact OE1-NH2 2.73Å; E55-R97 IonicContact OE2-NH2 3.74Å; E55-R97 PolarHBondContact OE2-NH2 3.08Å; W62-R97 VanDerWaalsContact CE2-NH2 3.29Å; W62-R97 VanDerWaalsContact O-CD 3.31Å; W62-R97 WeakPolarHBondContact O-CD 3.27Å; W62-R97 PolarHBondContact O-NE 2.79Å; W62-R97 VanDerWaalsContact O-NE 3.15Å; W62-R97 PolarHBondContact O-NH1 3.15Å; S93-R97 WeakPolarHBondContact O-CB 3.39Å; S93-R97 PolarHBondContact O-N 3.46Å; I94-R97 PolarHBondContact O-N 3.16Å; K95-R97 PolarHBondContact O-N 3.38Å
98Y85.8Confident84.7Confident42 Ų4253.3 Ų53.317%0.16529%0.289CS..Hα-helixtrans-117.9-22.5-170.6-63.6-62.5000115.2L61 W62 I94 K95 I125L61-Y98 WeakPolarHBondContact CA-OH 3.42Å; L61-Y98 HydrophobicContact CB-CE1 4.12Å; L61-Y98 HydrophobicContact CB-CE2 3.96Å; L61-Y98 HydrophobicContact CD1-CD1 4.01Å; L61-Y98 HydrophobicContact CD1-CE1 4.01Å; L61-Y98 HydrophobicContact CD1-CE2 4.48Å; L61-Y98 HydrophobicContact CD1-CG 4.27Å; L61-Y98 HydrophobicContact CD2-CD1 4.26Å; L61-Y98 HydrophobicContact CD2-CE1 3.59Å; L61-Y98 HydrophobicContact CG-CE1 4.1Å; W62-Y98 PolarHBondContact N-OH 2.97Å; W62-Y98 PolarHBondContact O-OH 3.39Å; I94-Y98 HydrophobicContact CG2-CD2 4.43Å; I94-Y98 PolarHBondContact O-N 2.97Å; I94-Y98 VanDerWaalsContact O-N 3.08Å; K95-Y98 PolarHBondContact O-N 3.4Å; Y98-I125 HydrophobicContact CD2-CD1 4.26Å; Y98-I125 HydrophobicContact CG-CD1 4.38Å
99L86.2Confident84.3Confident1 Ų158.8 Ų58.81%0.00531%0.314CS..  trans-13859.7-174.8-69173.7000112K95 E101 A102 L104 I121 A124 I125K95-L99 HydrophobicContact CG-CB 4.46Å; K95-L99 WeakPolarHBondContact CG-O 3.41Å; K95-L99 CarbonylContact O-C 3.48Å; K95-L99 VanDerWaalsContact O-CA 3.3Å; K95-L99 WeakPolarHBondContact O-CA 3.39Å; K95-L99 PolarHBondContact O-N 2.93Å; L99-E101 PolarHBondContact O-N 3Å; L99-A102 HydrophobicContact CB-CB 4.01Å; L99-A102 HydrophobicContact CD2-CB 4.49Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-L104 HydrophobicContact CD1-CD1 3.96Å; L99-I121 HydrophobicContact CD1-CG2 4.26Å; L99-A124 HydrophobicContact CD1-CB 3.63Å; L99-I125 HydrophobicContact CD1-CD1 4.44Å; L99-I125 HydrophobicContact CD1-CG1 3.68Å; L99-I125 HydrophobicContact CG-CG1 3.93Å
100P81.7Confident84.1Confident95 Ų9561.9 Ų61.962%0.61733%0.331SS*.THydrogen-bonded Turntrans-63.9-29.1-178.725.5-33.8000113.1
101E78.5Confident83.8Confident159 Ų15965.6 Ų65.674%0.74335%0.354SS*.THydrogen-bonded Turntrans-92.6-6.4-174.8-62.1175.1165.300114.2L99L99-E101 PolarHBondContact O-N 3Å
102A77.3Confident83.6Confident20 Ų2068.7 Ų68.717%0.16538%0.375CS..  trans-84.6127.6-174.400000111.5K95 L99 L104K95-A102 WeakPolarHBondContact CE-O 3.35Å; K95-A102 PolarHBondContact NZ-O 3.35Å; L99-A102 HydrophobicContact CB-CB 4.01Å; L99-A102 HydrophobicContact CD2-CB 4.49Å; L99-A102 PolarHBondContact O-N 3.27Å; A102-L104 HydrophobicContact CB-CD1 3.94Å; A102-L104 HydrophobicContact CB-CG 4.01Å; A102-L104 PolarHBondContact O-N 2.89Å
103D80.2Confident83.6Confident173 Ų17365.3 Ų65.393%0.92536%0.363SS*.  trans-7661.6172.5-73.9-25.7000111.6
104L79.6Confident83.8Confident37 Ų3764 Ų6419%0.19435%0.354CS..  trans-96.4138.2174.9-65.7169.4000110.8K95 L99 A102 I106 I121 A124K95-L104 PolarHBondContact NZ-O 3.27Å; L99-L104 HydrophobicContact CD1-CD1 3.96Å; A102-L104 HydrophobicContact CB-CD1 3.94Å; A102-L104 HydrophobicContact CB-CG 4.01Å; A102-L104 PolarHBondContact O-N 2.89Å; L104-I106 PolarHBondContact O-N 3.02Å; L104-I121 HydrophobicContact CB-CG1 4.33Å; L104-I121 HydrophobicContact CD1-CB 4.37Å; L104-I121 HydrophobicContact CD1-CG1 3.67Å; L104-A124 HydrophobicContact CD1-CB 4.32Å
105S78.6Confident83.8Confident65 Ų6565.2 Ų65.246%0.45536%0.36SS..  trans-67.7125.8175.945.20000111.4N117S105-N117 PolarHBondContact OG-OD1 3.44Å; S105-N117 VanDerWaalsContact OG-OD1 3.11Å
106I80.3Confident83.9Confident46 Ų4666.9 Ų66.924%0.23637%0.37CS..  trans-100.8-19.5177.9-50.3172.7000110.7E88 L91 Q92 K95 L104 C108E88-I106 WeakPolarHBondContact CG-O 3.43Å; L91-I106 HydrophobicContact CB-CG2 3.93Å; Q92-I106 HydrophobicContact CB-CG2 4.09Å; K95-I106 HydrophobicContact CD-CD1 3.55Å; K95-I106 HydrophobicContact CD-CG1 3.71Å; L104-I106 PolarHBondContact O-N 3.02Å; I106-C108 PolarHBondContact O-N 3.32Å
107S82.8Confident84.1Confident65 Ų6564 Ų6446%0.45535%0.349SS..  trans-66.3130.8-179.7-176.80000111R84 N117R84-S107 PolarHBondContact NH2-OG 3.13Å; S107-N117 PolarHBondContact O-ND2 3.26Å; S107-N117 VanDerWaalsContact O-ND2 3.13Å
108C81Confident84.4Confident2 Ų259.1 Ų59.11%0.01433%0.331CS..  trans-125.3123.8177.6-65.70000109.6R84 E88 L91 I106 F114R84-C108 WeakPolarHBondContact CD-O 3.16Å; R84-C108 WeakPolarHBondContact CG-O 3.43Å; R84-C108 PolarHBondContact NE-O 2.82Å; E88-C108 HydrophobicContact CG-CB 4.17Å; E88-C108 PolarHBondContact OE1-N 2.92Å; E88-C108 VanDerWaalsContact OE1-N 3.12Å; L91-C108 WeakPolarHBondContact CD1-SG 3.35Å; I106-C108 PolarHBondContact O-N 3.32Å; C108-F114 HydrophobicContact CB-CB 4.24Å
109E79.1Confident84.6Confident151 Ų15157.2 Ų57.271%0.70632%0.324SS*.SBendtrans-91.8-41.6173-62.8-169.7160.400110.5S113E109-S113 PolarHBondContact N-OG 3.14Å
110D84Confident84.7Confident103 Ų10361.7 Ų61.755%0.55135%0.345SS*.SBendtrans-129.4163.6-176.8-66.6-43.1000112.6S112 S113 F114D110-S112 VanDerWaalsContact C-N 3.26Å; D110-S112 PolarHBondContact O-N 2.75Å; D110-S113 PolarHBondContact N-OG 3.33Å; D110-S113 PolarHBondContact O-N 2.79Å; D110-S113 PolarHBondContact O-OG 3Å; D110-F114 PolarHBondContact O-N 3.32Å
111T85.6Confident85Confident78 Ų7857.2 Ų57.248%0.47932%0.316SS..Hα-helixtrans-59.7-32.9175.154.50000113.3F114 I115 L156T111-F114 PolarHBondContact O-N 2.85Å; T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 2.98Å; T111-I115 VanDerWaalsContact O-N 3.1Å; T111-L156 HydrophobicContact CG2-CD2 3.79Å
112S86.7Confident85.5Confident65 Ų6549.7 Ų49.746%0.45528%0.28SS..Hα-helixtrans-64.9-49.1173.852.20000111.4D110 F114 I115 D116D110-S112 VanDerWaalsContact C-N 3.26Å; D110-S112 PolarHBondContact O-N 2.75Å; S112-F114 PolarHBondContact O-N 2.87Å; S112-I115 PolarHBondContact O-N 2.93Å; S112-I115 VanDerWaalsContact O-N 3.1Å; S112-D116 PolarHBondContact O-N 2.67Å
113S89.4Confident86Confident32 Ų3251 Ų5122%0.22428%0.284CS..Hα-helixtrans-59.2-37.1177.373.20000111.9E109 D110 D116 N117E109-S113 PolarHBondContact N-OG 3.14Å; D110-S113 PolarHBondContact N-OG 3.33Å; D110-S113 PolarHBondContact O-N 2.79Å; D110-S113 PolarHBondContact O-OG 3Å; S113-D116 PolarHBondContact O-N 2.78Å; S113-N117 WeakPolarHBondContact O-CB 3.35Å; S113-N117 VanDerWaalsContact O-CG 3.25Å; S113-N117 PolarHBondContact O-N 2.83Å; S113-N117 PolarHBondContact O-ND2 2.9Å
114F91.3Very high86.3Confident0 Ų044.2 Ų44.20%025%0.252CS..Hα-helixtrans-62.9-47.6173.2167.1-104.8000112.5L87 I90 L91 C108 D110 T111 S112 D116 N117 L118 L160L87-F114 HydrophobicContact CB-CD2 3.74Å; L87-F114 HydrophobicContact CB-CE2 4.13Å; L87-F114 HydrophobicContact CB-CG 4.12Å; L87-F114 HydrophobicContact CD1-CB 4.24Å; L87-F114 HydrophobicContact CD1-CG 4.28Å; L87-F114 HydrophobicContact CD2-CD1 3.97Å; L87-F114 HydrophobicContact CD2-CD2 4.22Å; L87-F114 HydrophobicContact CD2-CE1 3.93Å; L87-F114 HydrophobicContact CD2-CE2 4.19Å; L87-F114 HydrophobicContact CD2-CG 4.11Å; L87-F114 HydrophobicContact CD2-CZ 4.05Å; L87-F114 HydrophobicContact CG-CD2 4.42Å; L87-F114 HydrophobicContact CG-CG 4.39Å; L87-F114 WeakPolarHBondContact O-CE2 3.42Å; I90-F114 HydrophobicContact CB-CE2 4.07Å; I90-F114 HydrophobicContact CB-CZ 4.28Å; I90-F114 HydrophobicContact CD1-CE2 4.42Å; I90-F114 HydrophobicContact CD1-CZ 4.05Å; I90-F114 HydrophobicContact CG2-CE2 4.11Å; I90-F114 HydrophobicContact CG2-CZ 4.01Å; L91-F114 HydrophobicContact CD1-CD2 4.04Å; L91-F114 HydrophobicContact CD2-CD2 3.75Å; L91-F114 HydrophobicContact CD2-CE2 3.55Å; L91-F114 HydrophobicContact CG-CD2 3.75Å; L91-F114 HydrophobicContact CG-CE2 3.75Å; C108-F114 HydrophobicContact CB-CB 4.24Å; D110-F114 PolarHBondContact O-N 3.32Å; T111-F114 PolarHBondContact O-N 2.85Å; S112-F114 PolarHBondContact O-N 2.87Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 2.99Å; F114-N117 PolarHBondContact O-N 2.79Å; F114-L118 HydrophobicContact CE1-CD2 4.3Å; F114-L118 HydrophobicContact CZ-CD2 4.05Å; F114-L118 VanDerWaalsContact O-CB 3.23Å; F114-L118 WeakPolarHBondContact O-CB 3.34Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-L160 HydrophobicContact CE1-CD1 3.68Å; F114-L160 HydrophobicContact CE1-CD2 4.26Å; F114-L160 HydrophobicContact CZ-CD1 4.45Å; F114-L160 HydrophobicContact CZ-CD2 4.32Å
115I90.6Very high86.6Confident25 Ų2542.6 Ų42.613%0.12824%0.244CC..Hα-helixtrans-62.6-41.5178-67.2168.1000110.6T111 S112 L118 C119 L156 V164 K167T111-I115 WeakPolarHBondContact O-CG1 3.39Å; T111-I115 PolarHBondContact O-N 2.98Å; T111-I115 VanDerWaalsContact O-N 3.1Å; S112-I115 PolarHBondContact O-N 2.93Å; S112-I115 VanDerWaalsContact O-N 3.1Å; I115-L118 PolarHBondContact O-N 3.16Å; I115-C119 WeakPolarHBondContact O-CB 2.89Å; I115-C119 PolarHBondContact O-N 3.43Å; I115-C119 PolarHBondContact O-SG 2.8Å; I115-L156 HydrophobicContact CD1-CD1 4.35Å; I115-V164 HydrophobicContact CG2-CG2 4.2Å; I115-K167 HydrophobicContact CG2-CD 3.76Å
116D90.4Very high86.8Confident65 Ų6539.5 Ų39.535%0.34822%0.223SC..Hα-helixtrans-60.9-52.4175.8-83.8-56.3000112.5S112 S113 F114 L118 C119 Q120 K167S112-D116 PolarHBondContact O-N 2.67Å; S113-D116 PolarHBondContact O-N 2.78Å; F114-D116 VanDerWaalsContact C-N 3.33Å; F114-D116 PolarHBondContact O-N 2.99Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.22Å; D116-C119 PolarHBondContact O-N 3.31Å; D116-Q120 WeakPolarHBondContact O-CG 3.48Å; D116-Q120 PolarHBondContact O-N 2.87Å; D116-K167 WeakPolarHBondContact OD1-CE 3.37Å; D116-K167 IonicContact OD1-NZ 3.73Å; D116-K167 PolarHBondContact OD1-NZ 2.83Å; D116-K167 IonicContact OD2-NZ 3.83Å; D116-K167 PolarHBondContact OD2-NZ 2.82Å
117N90.8Very high87Confident17 Ų1742.9 Ų42.99%0.09125%0.245CC..Hα-helixtrans-60.6-40.9178-73-26.9000111.3L91 S105 S107 S113 F114 Q120 I121L91-N117 HydrophobicContact CD1-CB 3.68Å; S105-N117 PolarHBondContact OG-OD1 3.44Å; S105-N117 VanDerWaalsContact OG-OD1 3.11Å; S107-N117 PolarHBondContact O-ND2 3.26Å; S107-N117 VanDerWaalsContact O-ND2 3.13Å; S113-N117 WeakPolarHBondContact O-CB 3.35Å; S113-N117 VanDerWaalsContact O-CG 3.25Å; S113-N117 PolarHBondContact O-N 2.83Å; S113-N117 PolarHBondContact O-ND2 2.9Å; F114-N117 PolarHBondContact O-N 2.79Å; N117-Q120 PolarHBondContact O-N 2.84Å; N117-I121 WeakPolarHBondContact O-CD1 3.41Å; N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.33Å; N117-I121 PolarHBondContact O-N 3.32Å
118L91.7Very high86.8Confident0 Ų046.2 Ų46.20%025%0.248CC..Hα-helixtrans-63-44175.9-17559.7000111.5L91 I94 F114 I115 D116 Q120 I121 L122 L160 V164 L179L91-L118 HydrophobicContact CD2-CB 3.74Å; L91-L118 HydrophobicContact CD2-CD1 3.91Å; L91-L118 HydrophobicContact CD2-CG 4.38Å; I94-L118 HydrophobicContact CD1-CD1 3.45Å; I94-L118 VanDerWaalsContact CD1-CD1 3.45Å; F114-L118 HydrophobicContact CE1-CD2 4.3Å; F114-L118 HydrophobicContact CZ-CD2 4.05Å; F114-L118 VanDerWaalsContact O-CB 3.23Å; F114-L118 WeakPolarHBondContact O-CB 3.34Å; F114-L118 PolarHBondContact O-N 3.21Å; I115-L118 PolarHBondContact O-N 3.16Å; D116-L118 VanDerWaalsContact C-N 3.3Å; D116-L118 PolarHBondContact O-N 3.22Å; L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.45Å; L118-I121 PolarHBondContact O-N 2.85Å; L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.32Å; L118-L122 HydrophobicContact CG-CD1 4.02Å; L118-L122 HydrophobicContact CG-CG 4.45Å; L118-L122 WeakPolarHBondContact O-CB 3.14Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.06Å; L118-L160 HydrophobicContact CD2-CD1 4.03Å; L118-L160 HydrophobicContact CD2-CD2 4.11Å; L118-L160 HydrophobicContact CD2-CG 4.27Å; L118-V164 HydrophobicContact CD2-CG2 3.88Å; L118-L179 HydrophobicContact CD2-CD2 3.94Å
119C90.5Very high86.5Confident2 Ų248.2 Ų48.21%0.01426%0.258CS..Hα-helixtrans-60.9-43.1176-69.60000111.7I115 D116 L122 L123 L168 L171I115-C119 WeakPolarHBondContact O-CB 2.89Å; I115-C119 PolarHBondContact O-N 3.43Å; I115-C119 PolarHBondContact O-SG 2.8Å; D116-C119 PolarHBondContact O-N 3.31Å; C119-L122 PolarHBondContact O-N 3.32Å; C119-L123 WeakPolarHBondContact O-CB 3.3Å; C119-L123 VanDerWaalsContact O-CG 3.32Å; C119-L123 WeakPolarHBondContact O-CG 3.49Å; C119-L123 PolarHBondContact O-N 3.49Å; C119-L168 HydrophobicContact CB-CD2 3.99Å; C119-L171 HydrophobicContact CB-CD1 4.42Å
120Q88.5Confident85.8Confident96 Ų9647.3 Ų47.345%0.44926%0.263SS..Hα-helixtrans-62.9-44.5177.3-69.6177.419.400112.1D116 N117 L118 L123 A124D116-Q120 WeakPolarHBondContact O-CG 3.48Å; D116-Q120 PolarHBondContact O-N 2.87Å; N117-Q120 PolarHBondContact O-N 2.84Å; L118-Q120 VanDerWaalsContact C-N 3.35Å; L118-Q120 PolarHBondContact O-N 3.45Å; Q120-L123 PolarHBondContact O-N 2.8Å; Q120-A124 WeakPolarHBondContact O-CB 3.28Å; Q120-A124 PolarHBondContact O-N 3.13Å
121I88.7Confident85Confident1 Ų146.7 Ų46.71%0.00526%0.257CS..Hα-helixtrans-60.2-46.4175.1-70.9163.3000110.4L91 I94 L99 L104 N117 L118 A124 I125L91-I121 HydrophobicContact CB-CD1 4.17Å; L91-I121 HydrophobicContact CD2-CD1 4.06Å; I94-I121 HydrophobicContact CB-CG2 4.44Å; I94-I121 HydrophobicContact CG2-CG2 3.68Å; L99-I121 HydrophobicContact CD1-CG2 4.26Å; L104-I121 HydrophobicContact CB-CG1 4.33Å; L104-I121 HydrophobicContact CD1-CB 4.37Å; L104-I121 HydrophobicContact CD1-CG1 3.67Å; N117-I121 WeakPolarHBondContact O-CD1 3.41Å; N117-I121 VanDerWaalsContact O-CG1 3.3Å; N117-I121 WeakPolarHBondContact O-CG1 3.33Å; N117-I121 PolarHBondContact O-N 3.32Å; L118-I121 PolarHBondContact O-N 2.85Å; I121-A124 PolarHBondContact O-N 2.82Å; I121-I125 HydrophobicContact CG2-CD1 4.03Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 2.86Å
122L88.9Confident84.1Confident0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-64.6-43.7179.7-70.4172.9000112L118 C119 A124 I125 G126 V136 V164 L168 P177 L179L118-L122 HydrophobicContact CD1-CD1 4.3Å; L118-L122 HydrophobicContact CD1-CG 4.32Å; L118-L122 HydrophobicContact CG-CD1 4.02Å; L118-L122 HydrophobicContact CG-CG 4.45Å; L118-L122 WeakPolarHBondContact O-CB 3.14Å; L118-L122 VanDerWaalsContact O-CG 3.22Å; L118-L122 WeakPolarHBondContact O-CG 3.39Å; L118-L122 PolarHBondContact O-N 3.06Å; C119-L122 PolarHBondContact O-N 3.32Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.37Å; L122-I125 WeakPolarHBondContact O-CB 3.41Å; L122-I125 PolarHBondContact O-N 3.46Å; L122-I125 VanDerWaalsContact O-N 3.16Å; L122-G126 PolarHBondContact O-N 2.88Å; L122-V136 HydrophobicContact CD2-CB 3.91Å; L122-V136 HydrophobicContact CD2-CG1 3.93Å; L122-V136 HydrophobicContact CD2-CG2 3.73Å; L122-V164 HydrophobicContact CD1-CG1 3.63Å; L122-L168 HydrophobicContact CB-CD1 4.49Å; L122-L168 HydrophobicContact CD1-CD1 4.08Å; L122-P177 HydrophobicContact CB-CG 3.75Å; L122-P177 WeakPolarHBondContact O-CG 3.39Å; L122-L179 HydrophobicContact CD1-CB 4.23Å; L122-L179 HydrophobicContact CD1-CD1 4.18Å; L122-L179 HydrophobicContact CD1-CD2 4.28Å; L122-L179 HydrophobicContact CD1-CG 4.48Å; L122-L179 HydrophobicContact CD2-CD1 4.39Å
123L86.7Confident83.6Confident47 Ų4749.6 Ų49.625%0.24626%0.263CS..Hα-helixtrans-61.2-41.3175.3-72.4171.4000111.7C119 Q120 I125 G126 V127 L168 L171C119-L123 WeakPolarHBondContact O-CB 3.3Å; C119-L123 VanDerWaalsContact O-CG 3.32Å; C119-L123 WeakPolarHBondContact O-CG 3.49Å; C119-L123 PolarHBondContact O-N 3.49Å; Q120-L123 PolarHBondContact O-N 2.8Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 3.17Å; L123-G126 PolarHBondContact O-N 2.99Å; L123-G126 VanDerWaalsContact O-N 3.15Å; L123-V127 WeakPolarHBondContact O-CG2 3.26Å; L123-V127 PolarHBondContact O-N 3.15Å; L123-L168 HydrophobicContact CD1-CD2 4.27Å; L123-L168 HydrophobicContact CD2-CD2 3.86Å; L123-L168 HydrophobicContact CG-CD2 3.71Å; L123-L171 HydrophobicContact CD1-CD1 4.07Å
124A86.8Confident83.3Confident31 Ų3148.2 Ų48.226%0.25625%0.253SS..Hα-helixtrans-62.8-35.9175.100000112.5L99 L104 Q120 I121 L122 R128L99-A124 HydrophobicContact CD1-CB 3.63Å; L104-A124 HydrophobicContact CD1-CB 4.32Å; Q120-A124 WeakPolarHBondContact O-CB 3.28Å; Q120-A124 PolarHBondContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 2.82Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 3.37Å; A124-R128 PolarHBondContact O-N 3.21Å
125I86.3Confident83.1Confident4 Ų448.6 Ų48.62%0.02126%0.255CS..Hα-helixtrans-66.9-43.7171.4-67.8168.4000110.7L61 I94 Y98 L99 I121 L122 L123 V127 R128 N129L61-I125 HydrophobicContact CD1-CG2 3.32Å; I94-I125 HydrophobicContact CG2-CD1 3.63Å; Y98-I125 HydrophobicContact CD2-CD1 4.26Å; Y98-I125 HydrophobicContact CG-CD1 4.38Å; L99-I125 HydrophobicContact CD1-CD1 4.44Å; L99-I125 HydrophobicContact CD1-CG1 3.68Å; L99-I125 HydrophobicContact CG-CG1 3.93Å; I121-I125 HydrophobicContact CG2-CD1 4.03Å; I121-I125 WeakPolarHBondContact O-CG1 3.27Å; I121-I125 PolarHBondContact O-N 2.86Å; L122-I125 WeakPolarHBondContact O-CB 3.41Å; L122-I125 PolarHBondContact O-N 3.46Å; L122-I125 VanDerWaalsContact O-N 3.16Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-I125 PolarHBondContact O-N 3.17Å; I125-V127 VanDerWaalsContact C-N 3.32Å; I125-V127 PolarHBondContact O-N 2.8Å; I125-R128 PolarHBondContact O-N 2.85Å; I125-N129 PolarHBondContact O-N 3.39Å
126G83.9Confident83.1Confident0 Ų047.4 Ų47.40%025%0.249CC..Hα-helixtrans-58.3-40.6178.700000113L122 L123L122-G126 PolarHBondContact O-N 2.88Å; L123-G126 PolarHBondContact O-N 2.99Å; L123-G126 VanDerWaalsContact O-N 3.15Å
127V83.1Confident83.1Confident117 Ų11744.3 Ų44.371%0.70923%0.232SC*.Hα-helixtrans-69.2-32.5178.2173.30000112.8L123 I125L123-V127 WeakPolarHBondContact O-CG2 3.26Å; L123-V127 PolarHBondContact O-N 3.15Å; I125-V127 VanDerWaalsContact C-N 3.32Å; I125-V127 PolarHBondContact O-N 2.8Å
128R78.9Confident83.3Confident135 Ų13543.5 Ų43.551%0.50923%0.228SC..Hα-helixtrans-78.2-27.7179.8-74.4-171.3176.5-158.1-6.7113.1A124 I125A124-R128 PolarHBondContact O-N 3.21Å; I125-R128 PolarHBondContact O-N 2.85Å
129N75.2Confident83.4Confident43 Ų4343.5 Ų43.523%0.2323%0.228CC..  trans-86.3131.7-176-83.6-17.8000111.6L61 I125 H131 T134L61-N129 WeakPolarHBondContact CD1-ND2 3.49Å; I125-N129 PolarHBondContact O-N 3.39Å; N129-H131 VanDerWaalsContact C-N 3.29Å; N129-H131 PolarHBondContact O-N 3.43Å; N129-T134 HydrophobicContact CB-CG2 3.36Å
130T63.8Low83.6Confident133 Ų13343.4 Ų43.482%0.81623%0.227SC*.  trans-86.55.5-177.851.90000113.9
131H67.4Low83.8Confident89 Ų8940.3 Ų40.341%0.41221%0.213SC..SBendtrans-85.9140.6-178.7-66.3-55.6000111.7N129 Q133N129-H131 VanDerWaalsContact C-N 3.29Å; N129-H131 PolarHBondContact O-N 3.43Å; H131-Q133 PolarHBondContact O-N 2.97Å
132D67.1Low83.9Confident148 Ų14843.7 Ų43.779%0.79123%0.229SC*.SBendtrans-50-31.8180-66-29.1000114.1
133Q75.7Confident84Confident57 Ų5743.7 Ų43.727%0.26623%0.229SC..SBendtrans-146.7120.6178.8-169.6173.415.900109.2K26 N27 H131K26-Q133 VanDerWaalsContact CB-OE1 3.22Å; K26-Q133 HydrophobicContact CD-CB 4.36Å; K26-Q133 VanDerWaalsContact O-CD 3.25Å; K26-Q133 PolarHBondContact O-NE2 3.34Å; K26-Q133 PolarHBondContact O-OE1 3.42Å; N27-Q133 PolarHBondContact OD1-NE2 3.29Å; H131-Q133 PolarHBondContact O-N 2.97Å
134T82.9Confident84.1Confident3 Ų342.5 Ų42.52%0.01822%0.222CC..  trans-94.1128.8178.845.70000109.5N129 P177 L178N129-T134 HydrophobicContact CB-CG2 3.36Å; T134-P177 CarbonylContact O-C 3.53Å; T134-P177 VanDerWaalsContact O-CA 3.26Å; T134-P177 WeakPolarHBondContact O-CA 3.21Å; T134-P177 VanDerWaalsContact OG1-CA 3.29Å; T134-P177 WeakPolarHBondContact OG1-CA 3.42Å; T134-P177 WeakPolarHBondContact OG1-CB 3.28Å; T134-L178 PolarHBondContact O-N 3.44Å
135C87.7Confident84.1Confident7 Ų745.6 Ų45.65%0.04723%0.227CC..EExtended strand (participates in β ladder)trans-121.7130178.5-1640000108.8V60 L61 L178 F180V60-C135 HydrophobicContact CG1-CB 4.42Å; V60-C135 HydrophobicContact CG2-CB 4.4Å; L61-C135 PolarHBondContact N-O 2.99Å; C135-L178 CarbonylContact C-O 3.54Å; C135-L178 WeakPolarHBondContact CA-O 3.41Å; C135-F180 WeakPolarHBondContact SG-CD1 3.48Å; C135-F180 WeakPolarHBondContact SG-CE1 3.45Å
136V90Very high84Confident0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-120.6119.5-176.7-173.40000109.3L61 L122 L138 L178 L179 F180L61-V136 HydrophobicContact CB-CG2 4.26Å; L61-V136 CarbonylContact O-C 2.99Å; L61-V136 VanDerWaalsContact O-CA 3.27Å; L61-V136 WeakPolarHBondContact O-CA 3.37Å; L122-V136 HydrophobicContact CD2-CB 3.91Å; L122-V136 HydrophobicContact CD2-CG1 3.93Å; L122-V136 HydrophobicContact CD2-CG2 3.73Å; V136-L138 HydrophobicContact CG1-CD2 4.5Å; V136-L178 PolarHBondContact N-O 2.9Å; V136-L179 HydrophobicContact CB-CD1 4.22Å; V136-L179 HydrophobicContact CG1-CD1 4.23Å; V136-L179 WeakPolarHBondContact O-CA 3.25Å; V136-F180 WeakPolarHBondContact O-CD1 3.16Å; V136-F180 PolarHBondContact O-N 2.87Å
137G91.1Very high83.8Confident0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-104.5122.9178.100000112.7L61 W62 A63 F180L61-G137 PolarHBondContact O-N 3.32Å; W62-G137 CarbonylContact C-O 3.07Å; W62-G137 WeakPolarHBondContact CA-O 3.45Å; W62-G137 WeakPolarHBondContact CB-O 3.27Å; A63-G137 PolarHBondContact N-O 3.45Å; G137-F180 VanDerWaalsContact CA-CE1 3.46Å; G137-F180 VanDerWaalsContact CA-CZ 3.49Å; G137-F180 WeakPolarHBondContact CA-O 3.4Å
138L93.9Very high83.6Confident0 Ų046.4 Ų46.40%023%0.23CC..EExtended strand (participates in β ladder)trans-98.7116.6172.2-56.5-177.8000110.2A63 I65 I90 I94 V136 F140 L160 L179 F180 T181 V182A63-L138 HydrophobicContact CB-CD2 4.1Å; I65-L138 HydrophobicContact CD1-CB 4.43Å; I65-L138 HydrophobicContact CD1-CD2 4.42Å; I90-L138 HydrophobicContact CG2-CD1 4Å; I94-L138 HydrophobicContact CD1-CD1 4.06Å; I94-L138 HydrophobicContact CD1-CD2 3.43Å; I94-L138 VanDerWaalsContact CD1-CD2 3.43Å; I94-L138 HydrophobicContact CD1-CG 4.37Å; I94-L138 HydrophobicContact CG1-CD2 3.62Å; V136-L138 HydrophobicContact CG1-CD2 4.5Å; L138-F140 HydrophobicContact CB-CE2 3.76Å; L138-F140 HydrophobicContact CB-CZ 4.2Å; L138-L160 HydrophobicContact CD1-CD2 4.11Å; L138-L179 HydrophobicContact CD1-CD1 3.9Å; L138-L179 HydrophobicContact CD1-CD2 4.45Å; L138-L179 HydrophobicContact CD2-CD1 4.49Å; L138-L179 HydrophobicContact CG-CD1 3.81Å; L138-F180 PolarHBondContact N-O 3.44Å; L138-T181 HydrophobicContact CB-CG2 4.42Å; L138-T181 CarbonylContact O-C 3.59Å; L138-T181 WeakPolarHBondContact O-CA 3.45Å; L138-V182 PolarHBondContact O-N 3.38Å
139I94.5Very high83.3Confident0 Ų041.4 Ų41.40%021%0.211CC..EExtended strand (participates in β ladder)trans-103.1113.4-175.4-52.8177.5000108.6V47 F51 W62 A63 I65 V182 V184V47-I139 HydrophobicContact CG1-CD1 3.62Å; V47-I139 HydrophobicContact CG1-CG1 4.33Å; V47-I139 HydrophobicContact CG1-CG2 3.58Å; F51-I139 HydrophobicContact CB-CD1 4.22Å; F51-I139 HydrophobicContact CD1-CD1 3.79Å; F51-I139 HydrophobicContact CD2-CD1 3.58Å; F51-I139 HydrophobicContact CE1-CD1 3.9Å; F51-I139 HydrophobicContact CE1-CG1 4.19Å; F51-I139 HydrophobicContact CE2-CD1 3.72Å; F51-I139 HydrophobicContact CE2-CG1 4.23Å; F51-I139 HydrophobicContact CG-CD1 3.59Å; F51-I139 HydrophobicContact CZ-CD1 3.85Å; F51-I139 HydrophobicContact CZ-CG1 4.01Å; W62-I139 HydrophobicContact CB-CD1 4.42Å; W62-I139 HydrophobicContact CD2-CD1 4.13Å; W62-I139 HydrophobicContact CE3-CD1 3.39Å; W62-I139 HydrophobicContact CE3-CG1 4.39Å; W62-I139 HydrophobicContact CZ3-CD1 3.96Å; A63-I139 PolarHBondContact O-N 2.91Å; I65-I139 PolarHBondContact N-O 3.37Å; I139-V182 CarbonylContact C-O 3.53Å; I139-V182 WeakPolarHBondContact CA-O 3.38Å; I139-V182 HydrophobicContact CG1-CB 4.47Å; I139-V184 HydrophobicContact CG2-CG2 4.2Å
140F94.1Very high83.2Confident0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-99.1105.8178.6-64.7-85.7000110I65 F86 I90 L138 I157 T181 V182 L183 V184I65-F140 HydrophobicContact CB-CD1 4.12Å; I65-F140 HydrophobicContact CB-CE1 4.3Å; I65-F140 HydrophobicContact CD1-CE1 4Å; I65-F140 HydrophobicContact CD1-CZ 4.18Å; I65-F140 HydrophobicContact CG2-CD1 3.99Å; I65-F140 HydrophobicContact CG2-CE1 4.03Å; I65-F140 WeakPolarHBondContact O-CA 3.48Å; F86-F140 HydrophobicContact CE1-CE1 4.36Å; F86-F140 HydrophobicContact CE2-CD1 4.32Å; F86-F140 HydrophobicContact CE2-CE1 4.26Å; F86-F140 AromaticContact CZ-CD1 3.76Å; F86-F140 HydrophobicContact CZ-CD1 3.76Å; F86-F140 AromaticContact CZ-CE1 3.59Å; F86-F140 HydrophobicContact CZ-CE1 3.59Å; I90-F140 HydrophobicContact CD1-CE1 3.8Å; I90-F140 HydrophobicContact CD1-CZ 4.03Å; I90-F140 HydrophobicContact CG1-CE1 3.94Å; I90-F140 HydrophobicContact CG1-CZ 4.32Å; L138-F140 HydrophobicContact CB-CE2 3.76Å; L138-F140 HydrophobicContact CB-CZ 4.2Å; F140-I157 HydrophobicContact CD2-CG2 3.91Å; F140-I157 HydrophobicContact CE1-CD1 4.19Å; F140-I157 HydrophobicContact CE1-CG2 4.33Å; F140-I157 HydrophobicContact CE2-CG2 3.62Å; F140-I157 HydrophobicContact CG-CG2 4.37Å; F140-I157 HydrophobicContact CZ-CD1 3.93Å; F140-I157 HydrophobicContact CZ-CG2 3.85Å; F140-T181 HydrophobicContact CE2-CG2 4.02Å; F140-V182 PolarHBondContact N-O 3.39Å; F140-L183 HydrophobicContact CB-CD2 3.68Å; F140-L183 HydrophobicContact CD2-CD2 3.72Å; F140-L183 HydrophobicContact CG-CD2 3.92Å; F140-V184 PolarHBondContact O-N 3.15Å
141E93.2Very high83.7Confident32 Ų3240.9 Ų40.915%0.1521%0.207CC..EExtended strand (participates in β ladder)trans-80.5142.8175-68.6-148.8132.300112S44 L64 I65 C67 A143S44-E141 WeakPolarHBondContact CB-OE1 3.43Å; S44-E141 PolarHBondContact OG-OE1 3.32Å; L64-E141 HydrophobicContact CD1-CG 4.23Å; L64-E141 HydrophobicContact CD2-CG 4.09Å; L64-E141 HydrophobicContact CG-CG 4.11Å; I65-E141 PolarHBondContact O-N 3.49Å; C67-E141 WeakPolarHBondContact CB-O 3.23Å; C67-E141 PolarHBondContact N-O 2.84Å; C67-E141 PolarHBondContact SG-O 3.43Å; C67-E141 VanDerWaalsContact SG-O 3.39Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.29Å
142Q91.5Very high84.4Confident71 Ų7143.1 Ų43.133%0.33222%0.221SC..THydrogen-bonded Turntrans59.443.7178.8-59.2150.6-28.500112.5L68 E144 R145 V184L68-Q142 HydrophobicContact CG-CB 4.5Å; Q142-E144 PolarHBondContact O-N 3.14Å; Q142-R145 WeakPolarHBondContact O-CB 3.31Å; Q142-R145 PolarHBondContact O-N 3.45Å; Q142-V184 WeakPolarHBondContact CA-O 3.1Å; Q142-V184 PolarHBondContact N-O 3.43Å
143A90.8Very high85.3Confident0 Ų036.4 Ų36.40%019%0.186CC..G310 helixtrans-59-16.1-174.700000114E141 R145 L146 L183 V184 F192E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.29Å; A143-R145 PolarHBondContact O-N 2.85Å; A143-R145 VanDerWaalsContact O-N 3.07Å; A143-L146 HydrophobicContact CB-CD1 4.16Å; A143-L146 VanDerWaalsContact O-CB 3.24Å; A143-L146 WeakPolarHBondContact O-CB 3.38Å; A143-L146 WeakPolarHBondContact O-CG 3.35Å; A143-L146 PolarHBondContact O-N 3.41Å; A143-L183 HydrophobicContact CB-CB 3.95Å; A143-L183 HydrophobicContact CB-CD2 4.25Å; A143-V184 PolarHBondContact N-O 3Å; A143-F192 WeakPolarHBondContact O-CE1 3.47Å
144E88.4Confident85.8Confident23 Ų2333.9 Ų33.911%0.10717%0.174CC..G310 helixtrans-54.8-25.8170.958.3-93.6-150.200113.5Q142 L146 C147 T185 R186 L187 F192Q142-E144 PolarHBondContact O-N 3.14Å; E144-L146 PolarHBondContact O-N 2.86Å; E144-C147 WeakPolarHBondContact O-CB 3.37Å; E144-C147 PolarHBondContact O-N 3.28Å; E144-T185 WeakPolarHBondContact OE2-CA 3.22Å; E144-T185 WeakPolarHBondContact OE2-CB 3.42Å; E144-T185 PolarHBondContact OE2-OG1 3.33Å; E144-R186 HydrophobicContact CG-CG 4.44Å; E144-R186 WeakPolarHBondContact OE1-CD 3.47Å; E144-R186 WeakPolarHBondContact OE1-CG 3.32Å; E144-R186 IonicContact OE1-NE 3.66Å; E144-R186 PolarHBondContact OE1-NE 3.42Å; E144-R186 VanDerWaalsContact OE1-NE 3.13Å; E144-R186 PolarHBondContact OE2-N 2.99Å; E144-L187 HydrophobicContact CB-CD1 3.66Å; E144-L187 HydrophobicContact CB-CG 4.02Å; E144-F192 HydrophobicContact CB-CZ 4.23Å
145R86.4Confident86Confident95 Ų9535.2 Ų35.236%0.35818%0.183SC..G310 helixtrans-73.2-16176.5-68.8-63.7-163.3164.78.4113.5C67 L68 F71 Q142 A143 C147 D148C67-R145 HydrophobicContact CB-CB 4.26Å; L68-R145 HydrophobicContact CD2-CG 3.76Å; F71-R145 HydrophobicContact CE2-CB 3.6Å; F71-R145 HydrophobicContact CE2-CG 4.19Å; F71-R145 HydrophobicContact CZ-CB 3.9Å; F71-R145 HydrophobicContact CZ-CG 4.49Å; F71-R145 WeakPolarHBondContact CZ-O 3.32Å; Q142-R145 WeakPolarHBondContact O-CB 3.31Å; Q142-R145 PolarHBondContact O-N 3.45Å; A143-R145 PolarHBondContact O-N 2.85Å; A143-R145 VanDerWaalsContact O-N 3.07Å; R145-C147 PolarHBondContact O-N 3.4Å; R145-D148 WeakPolarHBondContact CD-OD2 3.46Å; R145-D148 IonicContact NH1-OD2 3.24Å; R145-D148 PolarHBondContact NH1-OD2 3.34Å; R145-D148 VanDerWaalsContact NH1-OD2 3.15Å; R145-D148 PolarHBondContact O-N 3.29Å
146L84.2Confident86Confident2 Ų236.3 Ų36.31%0.0119%0.188CC..G310 helixtrans-68.5-23.8171.9-61175.5000111.6C67 F86 A143 E144 D148 R149 V153 L154 I157 L183C67-L146 HydrophobicContact CB-CD2 4.42Å; F86-L146 HydrophobicContact CE1-CD2 3.76Å; F86-L146 HydrophobicContact CE2-CD2 4.47Å; F86-L146 HydrophobicContact CZ-CD2 3.64Å; A143-L146 HydrophobicContact CB-CD1 4.16Å; A143-L146 VanDerWaalsContact O-CB 3.24Å; A143-L146 WeakPolarHBondContact O-CB 3.38Å; A143-L146 WeakPolarHBondContact O-CG 3.35Å; A143-L146 PolarHBondContact O-N 3.41Å; E144-L146 PolarHBondContact O-N 2.86Å; L146-D148 VanDerWaalsContact C-N 3.34Å; L146-R149 PolarHBondContact O-N 3.45Å; L146-V153 HydrophobicContact CD2-CG1 4.45Å; L146-L154 HydrophobicContact CB-CD1 4.1Å; L146-L154 HydrophobicContact CD1-CD1 4.36Å; L146-I157 HydrophobicContact CD1-CG2 4.49Å; L146-L183 HydrophobicContact CD1-CD2 4.27Å
147C81Confident86Confident31 Ų3136.3 Ų36.321%0.20919%0.188CC..THydrogen-bonded Turntrans-71.6-27.4174.4-60.50000113.2E144 R145 R149 F192 F194E144-C147 WeakPolarHBondContact O-CB 3.37Å; E144-C147 PolarHBondContact O-N 3.28Å; R145-C147 PolarHBondContact O-N 3.4Å; C147-R149 PolarHBondContact O-N 3.05Å; C147-F192 WeakPolarHBondContact SG-CD1 3.33Å; C147-F192 WeakPolarHBondContact SG-CE1 3.36Å; C147-F194 HydrophobicContact CB-CE2 4.04Å; C147-F194 HydrophobicContact CB-CZ 4.21Å
148D78.2Confident85.9Confident105 Ų10536.4 Ų36.456%0.56119%0.188SC*.THydrogen-bonded Turntrans-76-9.1179.2-64.8-21.2000112.1F71 R145 L146F71-D148 HydrophobicContact CE1-CB 4.42Å; F71-D148 HydrophobicContact CZ-CB 4.25Å; R145-D148 WeakPolarHBondContact CD-OD2 3.46Å; R145-D148 IonicContact NH1-OD2 3.24Å; R145-D148 PolarHBondContact NH1-OD2 3.34Å; R145-D148 VanDerWaalsContact NH1-OD2 3.15Å; R145-D148 PolarHBondContact O-N 3.29Å; L146-D148 VanDerWaalsContact C-N 3.34Å
149R71.4Confident85.7Confident30 Ų3036.5 Ų36.511%0.11319%0.19CC..SBendtrans-90.3-177.5-175.5-66.4178.2173.7-12727.4112.3S70 F71 S82 F86 L146 C147 S151S70-R149 PolarHBondContact OG-NH2 3.1Å; F71-R149 HydrophobicContact CZ-CG 4.46Å; S82-R149 PolarHBondContact O-NH1 3.48Å; F86-R149 VanDerWaalsContact CB-NH2 3.31Å; F86-R149 VanDerWaalsContact CG-CZ 3.46Å; F86-R149 VanDerWaalsContact CG-NH1 3.32Å; L146-R149 PolarHBondContact O-N 3.45Å; C147-R149 PolarHBondContact O-N 3.05Å; R149-S151 PolarHBondContact O-N 3.36Å
150E73.7Confident85.5Confident79 Ų7936.5 Ų36.537%0.36919%0.19SC..  trans-48.1135167.3-68.9165.3-15700111.5S83 L152 V153S83-E150 WeakPolarHBondContact CB-OE2 3.26Å; S83-E150 VanDerWaalsContact OG-CD 3.31Å; S83-E150 PolarHBondContact OG-OE1 3.14Å; S83-E150 VanDerWaalsContact OG-OE1 3.13Å; S83-E150 PolarHBondContact OG-OE2 2.57Å; E150-L152 PolarHBondContact O-N 2.86Å; E150-V153 HydrophobicContact CB-CG2 4.22Å; E150-V153 PolarHBondContact O-N 3.37Å; E150-V153 VanDerWaalsContact O-N 3.12Å
151S74.4Confident85.3Confident86 Ų8636.5 Ų36.560%0.60119%0.19SC*.THydrogen-bonded Turntrans-54.6-17.1-174.3-175.50000115R149 P155R149-S151 PolarHBondContact O-N 3.36Å; S151-P155 WeakPolarHBondContact O-CD 3.3Å
152L81.7Confident85.1Confident136 Ų13635.9 Ų35.971%0.71219%0.19SC*.THydrogen-bonded Turntrans-95.3-19.1-174.8-60.4177.7000114E150 L156E150-L152 PolarHBondContact O-N 2.86Å; L152-L156 WeakPolarHBondContact O-CB 3.14Å; L152-L156 PolarHBondContact O-N 3.43Å
153V85.6Confident85Confident7 Ų734.8 Ų34.84%0.04219%0.19CC..Hα-helixtrans-69.1-42.9-175.3177.30000111.2F86 L146 E150 L156 I157F86-V153 HydrophobicContact CD1-CG1 4.09Å; F86-V153 HydrophobicContact CE1-CG1 4.01Å; L146-V153 HydrophobicContact CD2-CG1 4.45Å; E150-V153 HydrophobicContact CB-CG2 4.22Å; E150-V153 PolarHBondContact O-N 3.37Å; E150-V153 VanDerWaalsContact O-N 3.12Å; V153-L156 WeakPolarHBondContact O-CB 3.41Å; V153-L156 PolarHBondContact O-N 2.96Å; V153-I157 HydrophobicContact CG1-CG1 4.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.46Å; V153-I157 PolarHBondContact O-N 3.39Å
154L87.3Confident84.9Confident4 Ų434.8 Ų34.82%0.02119%0.19CC..Hα-helixtrans-63.6-50.7-178.8175.269.6000112.3L146 L156 I157 V158 F192 F194 F197L146-L154 HydrophobicContact CB-CD1 4.1Å; L146-L154 HydrophobicContact CD1-CD1 4.36Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.26Å; L154-I157 PolarHBondContact O-N 2.86Å; L154-V158 HydrophobicContact CD1-CG2 4.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 3.43Å; L154-F192 HydrophobicContact CD1-CD1 4.05Å; L154-F192 HydrophobicContact CD2-CB 4.26Å; L154-F192 HydrophobicContact CD2-CD1 3.9Å; L154-F194 HydrophobicContact CD2-CD2 4.28Å; L154-F194 HydrophobicContact CD2-CE2 4.39Å; L154-F197 HydrophobicContact CD2-CE1 4.13Å; L154-F197 HydrophobicContact CD2-CZ 3.81Å; L154-F197 HydrophobicContact CG-CE1 4.06Å; L154-F197 HydrophobicContact CG-CZ 4.17Å
155P87.4Confident85Confident31 Ų3134.5 Ų34.520%0.20119%0.19CC..Hα-helixtrans-55.9-39.6172.5-26.333.9000113.4S151 V158 G159 F197S151-P155 WeakPolarHBondContact O-CD 3.3Å; P155-V158 PolarHBondContact O-N 3.04Å; P155-G159 PolarHBondContact O-N 2.95Å; P155-F197 HydrophobicContact CB-CD1 4.46Å; P155-F197 HydrophobicContact CG-CD1 4.35Å; P155-F197 HydrophobicContact CG-CE1 4.19Å
156L87.9Confident85Confident30 Ų3035.8 Ų35.816%0.15720%0.2CC..Hα-helixtrans-60.5-47176.7176.966.4000111.7L87 T111 I115 L152 V153 L154 G159 L160L87-L156 HydrophobicContact CD2-CD2 4.12Å; T111-L156 HydrophobicContact CG2-CD2 3.79Å; I115-L156 HydrophobicContact CD1-CD1 4.35Å; L152-L156 WeakPolarHBondContact O-CB 3.14Å; L152-L156 PolarHBondContact O-N 3.43Å; V153-L156 WeakPolarHBondContact O-CB 3.41Å; V153-L156 PolarHBondContact O-N 2.96Å; L154-L156 VanDerWaalsContact C-N 3.27Å; L154-L156 PolarHBondContact O-N 3.26Å; L156-G159 CarbonylContact O-C 3.59Å; L156-G159 PolarHBondContact O-N 3.29Å; L156-L160 VanDerWaalsContact O-CA 3.29Å; L156-L160 WeakPolarHBondContact O-CA 3.24Å; L156-L160 VanDerWaalsContact O-CB 3.29Å; L156-L160 WeakPolarHBondContact O-CB 3.42Å; L156-L160 PolarHBondContact O-N 3.2Å
157I89.8Confident85.2Confident0 Ų038.2 Ų38.20%021%0.21CC..Hα-helixtrans-68.8-38-178.6-63.4-59.4000112.2F86 I90 F140 L146 V153 L154 L160 T181 L183F86-I157 HydrophobicContact CE1-CD1 4.05Å; F86-I157 HydrophobicContact CE1-CG1 4.18Å; I90-I157 HydrophobicContact CD1-CD1 3.77Å; F140-I157 HydrophobicContact CD2-CG2 3.91Å; F140-I157 HydrophobicContact CE1-CD1 4.19Å; F140-I157 HydrophobicContact CE1-CG2 4.33Å; F140-I157 HydrophobicContact CE2-CG2 3.62Å; F140-I157 HydrophobicContact CG-CG2 4.37Å; F140-I157 HydrophobicContact CZ-CD1 3.93Å; F140-I157 HydrophobicContact CZ-CG2 3.85Å; L146-I157 HydrophobicContact CD1-CG2 4.49Å; V153-I157 HydrophobicContact CG1-CG1 4.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.46Å; V153-I157 PolarHBondContact O-N 3.39Å; L154-I157 PolarHBondContact O-N 2.86Å; I157-L160 HydrophobicContact CD1-CD2 4.35Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 PolarHBondContact O-N 3.24Å; I157-T181 PolarHBondContact O-OG1 3.1Å; I157-L183 HydrophobicContact CG2-CD2 3.85Å
158V89.3Confident85.5Confident2 Ų236.7 Ų36.71%0.01220%0.2CC..Hα-helixtrans-65.5-42.5176.3176.40000110.7C32 L154 P155 L183 W189 F199 P201C32-V158 HydrophobicContact CB-CG1 4.45Å; C32-V158 WeakPolarHBondContact CB-O 3.34Å; L154-V158 HydrophobicContact CD1-CG2 4.26Å; L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 3.43Å; P155-V158 PolarHBondContact O-N 3.04Å; V158-L183 HydrophobicContact CG2-CD1 4.02Å; V158-W189 HydrophobicContact CG2-CH2 3.77Å; V158-W189 HydrophobicContact CG2-CZ2 4.47Å; V158-F199 HydrophobicContact CG1-CB 4.35Å; V158-P201 HydrophobicContact CG1-CG 4.45Å
159G88.5Confident85.9Confident3 Ų336.5 Ų36.53%0.03120%0.199CC..Hα-helixtrans-82.5-6.3177.200000115P155 L156 G161 A162 S163P155-G159 PolarHBondContact O-N 2.95Å; L156-G159 CarbonylContact O-C 3.59Å; L156-G159 PolarHBondContact O-N 3.29Å; G159-G161 VanDerWaalsContact C-N 3.35Å; G159-G161 PolarHBondContact O-N 3.44Å; G159-A162 PolarHBondContact O-N 2.95Å; G159-S163 PolarHBondContact O-N 3.49Å; G159-S163 PolarHBondContact O-OG 3.43Å
160L90.9Very high86.6Confident0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-58.2-46.2-168.2-176.361.9000112.2F114 L118 L138 L156 I157 A162 S163 V164 L179 T181F114-L160 HydrophobicContact CE1-CD1 3.68Å; F114-L160 HydrophobicContact CE1-CD2 4.26Å; F114-L160 HydrophobicContact CZ-CD1 4.45Å; F114-L160 HydrophobicContact CZ-CD2 4.32Å; L118-L160 HydrophobicContact CD2-CD1 4.03Å; L118-L160 HydrophobicContact CD2-CD2 4.11Å; L118-L160 HydrophobicContact CD2-CG 4.27Å; L138-L160 HydrophobicContact CD1-CD2 4.11Å; L156-L160 VanDerWaalsContact O-CA 3.29Å; L156-L160 WeakPolarHBondContact O-CA 3.24Å; L156-L160 VanDerWaalsContact O-CB 3.29Å; L156-L160 WeakPolarHBondContact O-CB 3.42Å; L156-L160 PolarHBondContact O-N 3.2Å; I157-L160 HydrophobicContact CD1-CD2 4.35Å; I157-L160 WeakPolarHBondContact O-CB 3.42Å; I157-L160 PolarHBondContact O-N 3.24Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.03Å; L160-S163 PolarHBondContact O-N 3.33Å; L160-V164 HydrophobicContact CD1-CG2 3.71Å; L160-V164 HydrophobicContact CG-CG2 4.18Å; L160-V164 VanDerWaalsContact O-CB 3.26Å; L160-V164 WeakPolarHBondContact O-CB 3.46Å; L160-V164 WeakPolarHBondContact O-CG2 3.45Å; L160-V164 PolarHBondContact O-N 2.76Å; L160-L179 HydrophobicContact CD2-CD2 4.32Å; L160-L179 HydrophobicContact CG-CD2 4Å; L160-T181 HydrophobicContact CB-CG2 4.2Å; L160-T181 HydrophobicContact CD2-CG2 4.32Å
161G89.9Confident87.1Confident0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-60.4-42.1178.100000111.9G159 N165G159-G161 VanDerWaalsContact C-N 3.35Å; G159-G161 PolarHBondContact O-N 3.44Å; G161-N165 WeakPolarHBondContact O-CB 3.27Å; G161-N165 PolarHBondContact O-N 3.46Å; G161-N165 PolarHBondContact O-ND2 2.77Å
162A88.6Confident86.7Confident19 Ų1941.6 Ų41.616%0.15723%0.233CC..Hα-helixtrans-66.1-51.2179.200000111.8T31 G159 L160 V164 N165 E166 F199T31-A162 HydrophobicContact CG2-CB 4.39Å; G159-A162 PolarHBondContact O-N 2.95Å; L160-A162 VanDerWaalsContact C-N 3.32Å; L160-A162 PolarHBondContact O-N 3.03Å; A162-V164 PolarHBondContact O-N 3.33Å; A162-N165 PolarHBondContact O-N 3.24Å; A162-E166 WeakPolarHBondContact O-CB 3.38Å; A162-E166 PolarHBondContact O-N 3.05Å; A162-F199 HydrophobicContact CB-CD1 4.34Å; A162-F199 HydrophobicContact CB-CD2 4.5Å; A162-F199 HydrophobicContact CB-CE1 3.79Å; A162-F199 HydrophobicContact CB-CE2 3.97Å; A162-F199 HydrophobicContact CB-CZ 3.58Å
163S88.8Confident86.1Confident47 Ų4736.5 Ų36.533%0.32921%0.214SC..Hα-helixtrans-63.2-39.9-178.9-56.70000112.8G159 L160 K167G159-S163 PolarHBondContact O-N 3.49Å; G159-S163 PolarHBondContact O-OG 3.43Å; L160-S163 PolarHBondContact O-N 3.33Å; S163-K167 WeakPolarHBondContact O-CB 3.14Å; S163-K167 PolarHBondContact O-N 3.42Å
164V90.5Very high85.1Confident0 Ų042.2 Ų42.20%025%0.251CS..Hα-helixtrans-72.2-43.7178.7171.90000110.8I115 L118 L122 L160 A162 E166 K167 L168 L179I115-V164 HydrophobicContact CG2-CG2 4.2Å; L118-V164 HydrophobicContact CD2-CG2 3.88Å; L122-V164 HydrophobicContact CD1-CG1 3.63Å; L160-V164 HydrophobicContact CD1-CG2 3.71Å; L160-V164 HydrophobicContact CG-CG2 4.18Å; L160-V164 VanDerWaalsContact O-CB 3.26Å; L160-V164 WeakPolarHBondContact O-CB 3.46Å; L160-V164 WeakPolarHBondContact O-CG2 3.45Å; L160-V164 PolarHBondContact O-N 2.76Å; A162-V164 PolarHBondContact O-N 3.33Å; V164-E166 VanDerWaalsContact C-N 3.33Å; V164-E166 PolarHBondContact O-N 2.8Å; V164-K167 PolarHBondContact O-N 2.9Å; V164-L168 HydrophobicContact CG1-CD1 3.65Å; V164-L168 HydrophobicContact CG1-CG 4.1Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 3.27Å; V164-L179 HydrophobicContact CB-CD2 3.83Å; V164-L179 HydrophobicContact CG1-CB 4.24Å; V164-L179 HydrophobicContact CG1-CD2 3.83Å; V164-L179 HydrophobicContact CG2-CD2 3.91Å
165N88.6Confident84.5Confident18 Ų1845.7 Ų45.710%0.09627%0.267CS..Hα-helixtrans-64.4-38.7178.6-68.3-19.9000111.7G161 A162 L168 N169 L179G161-N165 WeakPolarHBondContact O-CB 3.27Å; G161-N165 PolarHBondContact O-N 3.46Å; G161-N165 PolarHBondContact O-ND2 2.77Å; A162-N165 PolarHBondContact O-N 3.24Å; N165-L168 PolarHBondContact O-N 2.95Å; N165-N169 WeakPolarHBondContact O-CB 3.38Å; N165-N169 PolarHBondContact O-N 2.86Å; N165-N169 PolarHBondContact O-ND2 2.79Å; N165-N169 VanDerWaalsContact O-ND2 3.16Å; N165-L179 PolarHBondContact ND2-O 2.82Å; N165-L179 PolarHBondContact OD1-N 3.34Å
166E88.1Confident84.2Confident122 Ų12246.4 Ų46.457%0.5727%0.271SS*.Hα-helixtrans-59.8-47.4173.6-172.6-178.6172.200111.3A162 V164 N169 Q170A162-E166 WeakPolarHBondContact O-CB 3.38Å; A162-E166 PolarHBondContact O-N 3.05Å; V164-E166 VanDerWaalsContact C-N 3.33Å; V164-E166 PolarHBondContact O-N 2.8Å; E166-N169 PolarHBondContact O-N 3.01Å; E166-Q170 WeakPolarHBondContact O-CG 3.38Å; E166-Q170 PolarHBondContact O-N 3.05Å
167K87.8Confident84.1Confident52 Ų5245 Ų4523%0.22626%0.264CS..Hα-helixtrans-65.9-40.8178.6-168.3169.2-175.1164.40112.9I115 D116 S163 V164 N169 Q170 L171I115-K167 HydrophobicContact CG2-CD 3.76Å; D116-K167 WeakPolarHBondContact OD1-CE 3.37Å; D116-K167 IonicContact OD1-NZ 3.73Å; D116-K167 PolarHBondContact OD1-NZ 2.83Å; D116-K167 IonicContact OD2-NZ 3.83Å; D116-K167 PolarHBondContact OD2-NZ 2.82Å; S163-K167 WeakPolarHBondContact O-CB 3.14Å; S163-K167 PolarHBondContact O-N 3.42Å; V164-K167 PolarHBondContact O-N 2.9Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 3.21Å; K167-Q170 PolarHBondContact O-N 3.36Å; K167-L171 HydrophobicContact CG-CD1 4.39Å; K167-L171 WeakPolarHBondContact O-CG 3.43Å; K167-L171 PolarHBondContact O-N 2.86Å
168L87.1Confident84Confident0 Ų046.2 Ų46.20%027%0.27CS..Hα-helixtrans-63.6-38.8175.6-73.3172000111.8C119 L122 L123 V164 N165 Q170 L171 G172 P177C119-L168 HydrophobicContact CB-CD2 3.99Å; L122-L168 HydrophobicContact CB-CD1 4.49Å; L122-L168 HydrophobicContact CD1-CD1 4.08Å; L123-L168 HydrophobicContact CD1-CD2 4.27Å; L123-L168 HydrophobicContact CD2-CD2 3.86Å; L123-L168 HydrophobicContact CG-CD2 3.71Å; V164-L168 HydrophobicContact CG1-CD1 3.65Å; V164-L168 HydrophobicContact CG1-CG 4.1Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 VanDerWaalsContact O-CG 3.25Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 3.27Å; N165-L168 PolarHBondContact O-N 2.95Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-L171 PolarHBondContact O-N 2.97Å; L168-G172 PolarHBondContact O-N 3.16Å; L168-P177 HydrophobicContact CD1-CG 4.01Å; L168-P177 WeakPolarHBondContact CD1-O 3.3Å
169N85.7Confident84.1Confident100 Ų10046.1 Ų46.154%0.53527%0.269SS..Hα-helixtrans-65.6-37.1174.7-72.4-24.1000112N165 E166 K167 G172N165-N169 WeakPolarHBondContact O-CB 3.38Å; N165-N169 PolarHBondContact O-N 2.86Å; N165-N169 PolarHBondContact O-ND2 2.79Å; N165-N169 VanDerWaalsContact O-ND2 3.16Å; E166-N169 PolarHBondContact O-N 3.01Å; K167-N169 VanDerWaalsContact C-N 3.32Å; K167-N169 PolarHBondContact O-N 3.21Å; N169-G172 PolarHBondContact O-N 3.47Å
170Q87.4Confident84.2Confident142 Ų14246 Ų4666%0.66427%0.268SS*.Hα-helixtrans-67.3-35.2174.8-70.1173.114.100112.7E166 K167 L168 G172E166-Q170 WeakPolarHBondContact O-CG 3.38Å; E166-Q170 PolarHBondContact O-N 3.05Å; K167-Q170 PolarHBondContact O-N 3.36Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; Q170-G172 VanDerWaalsContact C-N 3.27Å; Q170-G172 PolarHBondContact O-N 2.8Å
171L83.1Confident84.4Confident100 Ų10046 Ų4652%0.52427%0.268SS..Hα-helixtrans-72.8-17.7179-70.4168.6000113.2C119 L123 K167 L168C119-L171 HydrophobicContact CB-CD1 4.42Å; L123-L171 HydrophobicContact CD1-CD1 4.07Å; K167-L171 HydrophobicContact CG-CD1 4.39Å; K167-L171 WeakPolarHBondContact O-CG 3.43Å; K167-L171 PolarHBondContact O-N 2.86Å; L168-L171 PolarHBondContact O-N 2.97Å
172G67.4Low84.6Confident60 Ų6046 Ų4662%0.61927%0.268SS*.  trans5663.9163.500000115.7L168 N169 Q170L168-G172 PolarHBondContact O-N 3.16Å; N169-G172 PolarHBondContact O-N 3.47Å; Q170-G172 VanDerWaalsContact C-N 3.27Å; Q170-G172 PolarHBondContact O-N 2.8Å
173G69Low84.8Confident30 Ų3045.1 Ų45.131%0.30926%0.26SS..  trans-98.3161.1175.100000114.2H175G173-H175 PolarHBondContact O-N 2.83Å
174P64.5Low85.1Confident126 Ų12643.1 Ų43.182%0.81825%0.246SC*.SBendtrans-65.3-18.6177.926.4-34000113.8
175H74.2Confident85.3Confident77 Ų7743.2 Ų43.236%0.35625%0.247SC..SBendtrans-13687.2174.9-63.4-66.4000109.5G173 P177G173-H175 PolarHBondContact O-N 2.83Å; H175-P177 VanDerWaalsContact O-CD 3.26Å; H175-P177 WeakPolarHBondContact O-CD 3.41Å
176T80.6Confident85.5Confident46 Ų4649.3 Ų49.328%0.28227%0.269SS..  trans-81.6113.6175.647.90000110.1
177P86.1Confident85.6Confident1 Ų146 Ų461%0.00625%0.254CS..PPolyproline II helixtrans-71.7147175.329.5-33.3000110.5L122 T134 L168 H175L122-P177 HydrophobicContact CB-CG 3.75Å; L122-P177 WeakPolarHBondContact O-CG 3.39Å; T134-P177 CarbonylContact O-C 3.53Å; T134-P177 VanDerWaalsContact O-CA 3.26Å; T134-P177 WeakPolarHBondContact O-CA 3.21Å; T134-P177 VanDerWaalsContact OG1-CA 3.29Å; T134-P177 WeakPolarHBondContact OG1-CA 3.42Å; T134-P177 WeakPolarHBondContact OG1-CB 3.28Å; L168-P177 HydrophobicContact CD1-CG 4.01Å; L168-P177 WeakPolarHBondContact CD1-O 3.3Å; H175-P177 VanDerWaalsContact O-CD 3.26Å; H175-P177 WeakPolarHBondContact O-CD 3.41Å
178L88.4Confident85.7Confident25 Ų2546.2 Ų46.213%0.13126%0.261CS..EExtended strand (participates in β ladder)trans-100.1126.2170.8-69.5-177.1000110.6T134 C135 V136T134-L178 PolarHBondContact O-N 3.44Å; C135-L178 CarbonylContact C-O 3.54Å; C135-L178 WeakPolarHBondContact CA-O 3.41Å; V136-L178 PolarHBondContact N-O 2.9Å
179L90.8Very high85.8Confident0 Ų047.6 Ų47.60%027%0.267CS..EExtended strand (participates in β ladder)trans-96.4135.5173.4-172.370.3000110.8L118 L122 V136 L138 L160 V164 N165L118-L179 HydrophobicContact CD2-CD2 3.94Å; L122-L179 HydrophobicContact CD1-CB 4.23Å; L122-L179 HydrophobicContact CD1-CD1 4.18Å; L122-L179 HydrophobicContact CD1-CD2 4.28Å; L122-L179 HydrophobicContact CD1-CG 4.48Å; L122-L179 HydrophobicContact CD2-CD1 4.39Å; V136-L179 HydrophobicContact CB-CD1 4.22Å; V136-L179 HydrophobicContact CG1-CD1 4.23Å; V136-L179 WeakPolarHBondContact O-CA 3.25Å; L138-L179 HydrophobicContact CD1-CD1 3.9Å; L138-L179 HydrophobicContact CD1-CD2 4.45Å; L138-L179 HydrophobicContact CD2-CD1 4.49Å; L138-L179 HydrophobicContact CG-CD1 3.81Å; L160-L179 HydrophobicContact CD2-CD2 4.32Å; L160-L179 HydrophobicContact CG-CD2 4Å; V164-L179 HydrophobicContact CB-CD2 3.83Å; V164-L179 HydrophobicContact CG1-CB 4.24Å; V164-L179 HydrophobicContact CG1-CD2 3.83Å; V164-L179 HydrophobicContact CG2-CD2 3.91Å; N165-L179 PolarHBondContact ND2-O 2.82Å; N165-L179 PolarHBondContact OD1-N 3.34Å
180F91.8Very high85.8Confident0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-136.7155.5165.968.5-81.1000111I23 P28 T31 F33 F51 V60 C135 V136 G137 L138 V182I23-F180 HydrophobicContact CD1-CE2 4.22Å; I23-F180 HydrophobicContact CG2-CE1 4.39Å; I23-F180 HydrophobicContact CG2-CE2 4.3Å; I23-F180 HydrophobicContact CG2-CZ 3.78Å; P28-F180 HydrophobicContact CG-CB 4.33Å; P28-F180 HydrophobicContact CG-CD1 4.46Å; T31-F180 CarbonylContact O-C 3.57Å; T31-F180 VanDerWaalsContact O-CA 3.27Å; T31-F180 WeakPolarHBondContact O-CA 3.49Å; F33-F180 HydrophobicContact CD2-CD2 4.12Å; F33-F180 HydrophobicContact CE2-CD2 4.22Å; F51-F180 AromaticContact CE1-CE2 3.79Å; F51-F180 HydrophobicContact CE1-CE2 3.79Å; F51-F180 AromaticContact CE1-CZ 3.63Å; F51-F180 HydrophobicContact CE1-CZ 3.63Å; F51-F180 AromaticContact CZ-CE2 3.73Å; F51-F180 HydrophobicContact CZ-CE2 3.73Å; F51-F180 HydrophobicContact CZ-CZ 4.06Å; V60-F180 HydrophobicContact CG1-CE1 4.11Å; V60-F180 HydrophobicContact CG1-CZ 4.17Å; C135-F180 WeakPolarHBondContact SG-CD1 3.48Å; C135-F180 WeakPolarHBondContact SG-CE1 3.45Å; V136-F180 WeakPolarHBondContact O-CD1 3.16Å; V136-F180 PolarHBondContact O-N 2.87Å; G137-F180 VanDerWaalsContact CA-CE1 3.46Å; G137-F180 VanDerWaalsContact CA-CZ 3.49Å; G137-F180 WeakPolarHBondContact CA-O 3.4Å; L138-F180 PolarHBondContact N-O 3.44Å; F180-V182 HydrophobicContact CD2-CG2 3.98Å; F180-V182 HydrophobicContact CE2-CG2 3.87Å
181T93.4Very high85.7Confident0 Ų049.9 Ų49.90%027%0.272CS..EExtended strand (participates in β ladder)trans-116142.6-179.961.40000110.9T31 C32 F33 L138 F140 I157 L160T31-T181 PolarHBondContact O-N 2.99Å; C32-T181 CarbonylContact C-O 3.53Å; C32-T181 WeakPolarHBondContact CA-O 3.29Å; C32-T181 PolarHBondContact SG-OG1 3.46Å; F33-T181 PolarHBondContact N-O 3.33Å; L138-T181 HydrophobicContact CB-CG2 4.42Å; L138-T181 CarbonylContact O-C 3.59Å; L138-T181 WeakPolarHBondContact O-CA 3.45Å; F140-T181 HydrophobicContact CE2-CG2 4.02Å; I157-T181 PolarHBondContact O-OG1 3.1Å; L160-T181 HydrophobicContact CB-CG2 4.2Å; L160-T181 HydrophobicContact CD2-CG2 4.32Å
182V94.2Very high85.7Confident0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-124.3115174.4-177.90000109.2F33 I35 F51 L138 I139 F140 F180 V184F33-V182 HydrophobicContact CB-CG2 4.23Å; F33-V182 HydrophobicContact CD2-CG2 4.41Å; F33-V182 CarbonylContact O-C 3.59Å; F33-V182 VanDerWaalsContact O-CA 3.3Å; F33-V182 WeakPolarHBondContact O-CA 3.46Å; I35-V182 HydrophobicContact CD1-CG1 3.69Å; I35-V182 HydrophobicContact CG1-CG1 4.13Å; F51-V182 HydrophobicContact CE2-CG2 4.27Å; F51-V182 HydrophobicContact CZ-CG2 3.72Å; L138-V182 PolarHBondContact O-N 3.38Å; I139-V182 CarbonylContact C-O 3.53Å; I139-V182 WeakPolarHBondContact CA-O 3.38Å; I139-V182 HydrophobicContact CG1-CB 4.47Å; F140-V182 PolarHBondContact N-O 3.39Å; F180-V182 HydrophobicContact CD2-CG2 3.98Å; F180-V182 HydrophobicContact CE2-CG2 3.87Å; V182-V184 HydrophobicContact CG1-CG2 4.4Å
183L94Very high85.9Confident1 Ų147 Ų471%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-95.8117.7177.4-57.5-176.6000109.6F33 V34 I35 F140 A143 L146 I157 V158 W189F33-L183 PolarHBondContact O-N 3.03Å; V34-L183 CarbonylContact C-O 3.55Å; V34-L183 WeakPolarHBondContact CA-O 3Å; V34-L183 HydrophobicContact CG2-CB 4.09Å; V34-L183 HydrophobicContact CG2-CD1 4.08Å; V34-L183 HydrophobicContact CG2-CG 4.4Å; I35-L183 PolarHBondContact N-O 2.63Å; F140-L183 HydrophobicContact CB-CD2 3.68Å; F140-L183 HydrophobicContact CD2-CD2 3.72Å; F140-L183 HydrophobicContact CG-CD2 3.92Å; A143-L183 HydrophobicContact CB-CB 3.95Å; A143-L183 HydrophobicContact CB-CD2 4.25Å; L146-L183 HydrophobicContact CD1-CD2 4.27Å; I157-L183 HydrophobicContact CG2-CD2 3.85Å; V158-L183 HydrophobicContact CG2-CD1 4.02Å; L183-W189 HydrophobicContact CD1-CH2 4.39Å; L183-W189 HydrophobicContact CD1-CZ3 4.1Å
184V94.9Very high85.8Confident5 Ų551.7 Ų51.73%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-101.3116.2175.4-174.60000108.9K43 V47 I139 F140 Q142 A143 V182K43-V184 HydrophobicContact CB-CG1 3.89Å; K43-V184 HydrophobicContact CD-CG1 4.42Å; V47-V184 HydrophobicContact CG2-CG2 3.93Å; I139-V184 HydrophobicContact CG2-CG2 4.2Å; F140-V184 PolarHBondContact O-N 3.15Å; Q142-V184 WeakPolarHBondContact CA-O 3.1Å; Q142-V184 PolarHBondContact N-O 3.43Å; A143-V184 PolarHBondContact N-O 3Å; V182-V184 HydrophobicContact CG1-CG2 4.4Å
185T93.6Very high85.8Confident2 Ų248.7 Ų48.71%0.01225%0.246CC..EExtended strand (participates in β ladder)trans-137.8155.4-176.8-175.50000113.6V34 I35 T36 G37 K43 E144 L187 F192V34-T185 HydrophobicContact CG1-CG2 4.26Å; I35-T185 PolarHBondContact O-N 3.06Å; T36-T185 WeakPolarHBondContact CA-O 3.44Å; T36-T185 HydrophobicContact CG2-CG2 3.7Å; G37-T185 PolarHBondContact N-O 2.88Å; K43-T185 VanDerWaalsContact CE-O 3.31Å; K43-T185 WeakPolarHBondContact CE-O 3.41Å; E144-T185 WeakPolarHBondContact OE2-CA 3.22Å; E144-T185 WeakPolarHBondContact OE2-CB 3.42Å; E144-T185 PolarHBondContact OE2-OG1 3.33Å; T185-L187 VanDerWaalsContact CG2-O 3.32Å; T185-L187 WeakPolarHBondContact CG2-O 3.44Å; T185-L187 PolarHBondContact OG1-N 2.99Å; T185-L187 VanDerWaalsContact OG1-N 3.11Å; T185-F192 HydrophobicContact CG2-CE2 3.76Å; T185-F192 HydrophobicContact CG2-CZ 3.89Å; T185-F192 VanDerWaalsContact OG1-CZ 3.31Å; T185-F192 WeakPolarHBondContact OG1-CZ 3.3Å
186R92.5Very high85.3Confident147 Ų14749.7 Ų49.756%0.55526%0.258SS*.SBendtrans-86.4-18.7168.972.7-170.5174159.21.5114.7G37 E144G37-R186 VanDerWaalsContact O-CA 3.29Å; G37-R186 WeakPolarHBondContact O-CA 3.43Å; E144-R186 HydrophobicContact CG-CG 4.44Å; E144-R186 WeakPolarHBondContact OE1-CD 3.47Å; E144-R186 WeakPolarHBondContact OE1-CG 3.32Å; E144-R186 IonicContact OE1-NE 3.66Å; E144-R186 PolarHBondContact OE1-NE 3.42Å; E144-R186 VanDerWaalsContact OE1-NE 3.13Å; E144-R186 PolarHBondContact OE2-N 2.99Å
187L90.9Very high84.8Confident51 Ų5150 Ų5027%0.26726%0.256SS..SBendtrans-89.1144.4-176.9-63.9178.9000110.1T36 E144 T185 K191 F192T36-L187 WeakPolarHBondContact CG2-O 3.44Å; E144-L187 HydrophobicContact CB-CD1 3.66Å; E144-L187 HydrophobicContact CB-CG 4.02Å; T185-L187 VanDerWaalsContact CG2-O 3.32Å; T185-L187 WeakPolarHBondContact CG2-O 3.44Å; T185-L187 PolarHBondContact OG1-N 2.99Å; T185-L187 VanDerWaalsContact OG1-N 3.11Å; L187-K191 HydrophobicContact CD2-CD 4.27Å; L187-F192 HydrophobicContact CB-CE2 3.78Å; L187-F192 HydrophobicContact CB-CZ 4.42Å
188P90.2Very high83.9Confident57 Ų5754.7 Ų54.737%0.3729%0.288SS..  trans-56.5146.6167.1-23.834.1000111.4E190 K191P188-E190 WeakPolarHBondContact CB-OE2 3.31Å; P188-E190 PolarHBondContact O-N 3.48Å; P188-K191 PolarHBondContact O-N 2.9Å; P188-K191 VanDerWaalsContact O-N 3.14Å
189W88.3Confident83.3Confident30 Ų3057.7 Ų57.711%0.11430%0.301CS..G310 helixtrans-60.5-28.7-177.5-177.1-116.2000112.8V34 V158 L183 K191 F192 F197 P201 V203V34-W189 HydrophobicContact CB-CE3 4.35Å; V34-W189 HydrophobicContact CG1-CD2 4.38Å; V34-W189 HydrophobicContact CG1-CE3 3.8Å; V34-W189 HydrophobicContact CG1-CZ3 4.46Å; V34-W189 HydrophobicContact CG2-CD2 4.22Å; V34-W189 HydrophobicContact CG2-CE3 3.74Å; V34-W189 HydrophobicContact CG2-CH2 4.3Å; V34-W189 HydrophobicContact CG2-CZ3 3.76Å; V158-W189 HydrophobicContact CG2-CH2 3.77Å; V158-W189 HydrophobicContact CG2-CZ2 4.47Å; L183-W189 HydrophobicContact CD1-CH2 4.39Å; L183-W189 HydrophobicContact CD1-CZ3 4.1Å; W189-K191 PolarHBondContact O-N 3.42Å; W189-K191 VanDerWaalsContact O-N 3.1Å; W189-F192 HydrophobicContact CD2-CB 4.3Å; W189-F192 HydrophobicContact CE3-CB 3.8Å; W189-F192 HydrophobicContact CE3-CD1 4.47Å; W189-F192 AromaticContact CE3-CD2 3.81Å; W189-F192 HydrophobicContact CE3-CD2 3.81Å; W189-F192 AromaticContact CE3-CG 3.78Å; W189-F192 HydrophobicContact CE3-CG 3.78Å; W189-F192 HydrophobicContact CH2-CB 4.13Å; W189-F192 HydrophobicContact CZ3-CB 3.73Å; W189-F192 HydrophobicContact CZ3-CD1 4.02Å; W189-F192 HydrophobicContact CZ3-CD2 4.2Å; W189-F192 AromaticContact CZ3-CG 3.73Å; W189-F192 HydrophobicContact CZ3-CG 3.73Å; W189-F192 WeakPolarHBondContact O-CB 3.03Å; W189-F192 PolarHBondContact O-N 2.98Å; W189-F197 HydrophobicContact CH2-CE2 4.36Å; W189-F197 HydrophobicContact CH2-CZ 4.24Å; W189-F197 HydrophobicContact CZ2-CD2 4.32Å; W189-F197 AromaticContact CZ2-CE2 3.85Å; W189-F197 HydrophobicContact CZ2-CE2 3.85Å; W189-F197 HydrophobicContact CZ2-CZ 4.17Å; W189-P201 HydrophobicContact CD2-CG 4.04Å; W189-P201 HydrophobicContact CE3-CG 4.5Å; W189-P201 HydrophobicContact CH2-CG 3.8Å; W189-P201 VanDerWaalsContact CZ2-CD 3.48Å; W189-P201 HydrophobicContact CZ2-CG 3.24Å; W189-P201 HydrophobicContact CZ3-CG 4.38Å; W189-V203 HydrophobicContact CB-CG1 4.18Å; W189-V203 HydrophobicContact CB-CG2 3.74Å; W189-V203 HydrophobicContact CD2-CG2 4.44Å; W189-V203 HydrophobicContact CG-CG2 3.67Å
190E86.2Confident83Confident152 Ų15266 Ų6671%0.7134%0.34SS*.G310 helixtrans-61.4-26.2179.7-48.898-17700112.9P188 F192 N193P188-E190 WeakPolarHBondContact CB-OE2 3.31Å; P188-E190 PolarHBondContact O-N 3.48Å; E190-F192 VanDerWaalsContact C-N 3.26Å; E190-F192 PolarHBondContact O-N 3.31Å; E190-N193 PolarHBondContact O-N 3.4Å
191K86.2Confident82.8Confident137 Ų13766.4 Ų66.460%0.59634%0.342SS*.G310 helixtrans-76.4-10.9178-64.8-171.4179-178.30113.9L187 P188 W189L187-K191 HydrophobicContact CD2-CD 4.27Å; P188-K191 PolarHBondContact O-N 2.9Å; P188-K191 VanDerWaalsContact O-N 3.14Å; W189-K191 PolarHBondContact O-N 3.42Å; W189-K191 VanDerWaalsContact O-N 3.1Å
192F82.1Confident82.6Confident1 Ų171.7 Ų71.70%0.00436%0.363CS..G310 helixtrans-86.9-14.1175.6-73.5-98.1000112.4A143 E144 C147 L154 T185 L187 W189 E190 F194 F197A143-F192 WeakPolarHBondContact O-CE1 3.47Å; E144-F192 HydrophobicContact CB-CZ 4.23Å; C147-F192 WeakPolarHBondContact SG-CD1 3.33Å; C147-F192 WeakPolarHBondContact SG-CE1 3.36Å; L154-F192 HydrophobicContact CD1-CD1 4.05Å; L154-F192 HydrophobicContact CD2-CB 4.26Å; L154-F192 HydrophobicContact CD2-CD1 3.9Å; T185-F192 HydrophobicContact CG2-CE2 3.76Å; T185-F192 HydrophobicContact CG2-CZ 3.89Å; T185-F192 VanDerWaalsContact OG1-CZ 3.31Å; T185-F192 WeakPolarHBondContact OG1-CZ 3.3Å; L187-F192 HydrophobicContact CB-CE2 3.78Å; L187-F192 HydrophobicContact CB-CZ 4.42Å; W189-F192 HydrophobicContact CD2-CB 4.3Å; W189-F192 HydrophobicContact CE3-CB 3.8Å; W189-F192 HydrophobicContact CE3-CD1 4.47Å; W189-F192 AromaticContact CE3-CD2 3.81Å; W189-F192 HydrophobicContact CE3-CD2 3.81Å; W189-F192 AromaticContact CE3-CG 3.78Å; W189-F192 HydrophobicContact CE3-CG 3.78Å; W189-F192 HydrophobicContact CH2-CB 4.13Å; W189-F192 HydrophobicContact CZ3-CB 3.73Å; W189-F192 HydrophobicContact CZ3-CD1 4.02Å; W189-F192 HydrophobicContact CZ3-CD2 4.2Å; W189-F192 AromaticContact CZ3-CG 3.73Å; W189-F192 HydrophobicContact CZ3-CG 3.73Å; W189-F192 WeakPolarHBondContact O-CB 3.03Å; W189-F192 PolarHBondContact O-N 2.98Å; E190-F192 VanDerWaalsContact C-N 3.26Å; E190-F192 PolarHBondContact O-N 3.31Å; F192-F194 VanDerWaalsContact O-CD2 3.24Å; F192-F194 WeakPolarHBondContact O-CD2 3.32Å; F192-F194 PolarHBondContact O-N 3.48Å; F192-F197 HydrophobicContact CB-CZ 4.46Å; F192-F197 WeakPolarHBondContact O-CE2 3.19Å; F192-F197 WeakPolarHBondContact O-CZ 3.42Å
193N71Confident82.5Confident100 Ų10074.4 Ų74.454%0.53538%0.379SS..  trans-77.596.5-173.1-166.34.3000112.5E190 G195 F197E190-N193 PolarHBondContact O-N 3.4Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 WeakPolarHBondContact OD1-CA 3.44Å; N193-G195 PolarHBondContact OD1-N 3.03Å; N193-F197 HydrophobicContact CB-CE2 4.15Å
194F68.6Low82.5Confident128 Ų12875.4 Ų75.456%0.56138%0.384SS*.  trans-87.112.5170.6-66.8-78.2000113.4C147 L154 F192C147-F194 HydrophobicContact CB-CE2 4.04Å; C147-F194 HydrophobicContact CB-CZ 4.21Å; L154-F194 HydrophobicContact CD2-CD2 4.28Å; L154-F194 HydrophobicContact CD2-CE2 4.39Å; F192-F194 VanDerWaalsContact O-CD2 3.24Å; F192-F194 WeakPolarHBondContact O-CD2 3.32Å; F192-F194 PolarHBondContact O-N 3.48Å
195G64.2Low82.4Confident62 Ų6279.2 Ų79.264%0.63941%0.412SS*.SBendtrans89.96.9169.500000116.3N193N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 WeakPolarHBondContact OD1-CA 3.44Å; N193-G195 PolarHBondContact OD1-N 3.03Å
196T63.3Low82.3Confident98 Ų9879.2 Ų79.260%0.60141%0.412SS*.  trans-140.545.5-174.852.70000113.7
197F70.7Confident82.3Confident53 Ų5379.3 Ų79.323%0.23242%0.418CS..  trans-89.3126.8169.9-64.1-47.9000111.3L154 P155 W189 F192 N193L154-F197 HydrophobicContact CD2-CE1 4.13Å; L154-F197 HydrophobicContact CD2-CZ 3.81Å; L154-F197 HydrophobicContact CG-CE1 4.06Å; L154-F197 HydrophobicContact CG-CZ 4.17Å; P155-F197 HydrophobicContact CB-CD1 4.46Å; P155-F197 HydrophobicContact CG-CD1 4.35Å; P155-F197 HydrophobicContact CG-CE1 4.19Å; W189-F197 HydrophobicContact CH2-CE2 4.36Å; W189-F197 HydrophobicContact CH2-CZ 4.24Å; W189-F197 HydrophobicContact CZ2-CD2 4.32Å; W189-F197 AromaticContact CZ2-CE2 3.85Å; W189-F197 HydrophobicContact CZ2-CE2 3.85Å; W189-F197 HydrophobicContact CZ2-CZ 4.17Å; F192-F197 HydrophobicContact CB-CZ 4.46Å; F192-F197 WeakPolarHBondContact O-CE2 3.19Å; F192-F197 WeakPolarHBondContact O-CZ 3.42Å; N193-F197 HydrophobicContact CB-CE2 4.15Å
198S67Low82.4Confident99 Ų9978.8 Ų78.869%0.69242%0.419SS*.SBendtrans-81.6-20.8167.550.90000112.6
199F75.9Confident82.5Confident88 Ų8876.9 Ų76.939%0.38641%0.405SS..SBendtrans-129128.9-176.8-63-76000110.8V158 A162V158-F199 HydrophobicContact CG1-CB 4.35Å; A162-F199 HydrophobicContact CB-CD1 4.34Å; A162-F199 HydrophobicContact CB-CD2 4.5Å; A162-F199 HydrophobicContact CB-CE1 3.79Å; A162-F199 HydrophobicContact CB-CE2 3.97Å; A162-F199 HydrophobicContact CB-CZ 3.58Å
200E83.4Confident82.7Confident176 Ų17677.7 Ų77.782%0.82242%0.415SS*.  trans-95.1116.5174.2-170.7170.9-171.300109.5
201P88Confident83Confident8 Ų875.1 Ų75.15%0.05240%0.399CS..  trans-77.4159.6-178.532.3-35.7000112.1C32 V34 V158 W189 V203C32-P201 HydrophobicContact CB-CB 3.88Å; C32-P201 WeakPolarHBondContact O-CA 3.08Å; C32-P201 WeakPolarHBondContact O-CB 3.4Å; V34-P201 HydrophobicContact CG2-CB 3.67Å; V34-P201 HydrophobicContact CG2-CG 3.55Å; V158-P201 HydrophobicContact CG1-CG 4.45Å; W189-P201 HydrophobicContact CD2-CG 4.04Å; W189-P201 HydrophobicContact CE3-CG 4.5Å; W189-P201 HydrophobicContact CH2-CG 3.8Å; W189-P201 VanDerWaalsContact CZ2-CD 3.48Å; W189-P201 HydrophobicContact CZ2-CG 3.24Å; W189-P201 HydrophobicContact CZ3-CG 4.38Å; P201-V203 PolarHBondContact O-N 2.88Å
202Y89.7Confident83.3Confident110 Ų11074 Ų7443%0.43140%0.399SS..EExtended strand (participates in β ladder)trans-81.1112.5174.7-172.1-96.9000110.4F18 L22 C32 F33 V34 I204F18-Y202 HydrophobicContact CE1-CE1 4.33Å; F18-Y202 HydrophobicContact CZ-CE1 4.38Å; L22-Y202 HydrophobicContact CD1-CD1 4.44Å; L22-Y202 HydrophobicContact CD1-CE1 3.94Å; C32-Y202 PolarHBondContact O-N 3.31Å; F33-Y202 WeakPolarHBondContact CA-O 3.31Å; F33-Y202 AromaticContact CD1-CD1 3.92Å; F33-Y202 HydrophobicContact CD1-CD1 3.92Å; F33-Y202 HydrophobicContact CD1-CG 4.3Å; F33-Y202 HydrophobicContact CE1-CD1 4.2Å; F33-Y202 HydrophobicContact CE1-CG 4.45Å; V34-Y202 PolarHBondContact N-O 3.07Å; Y202-I204 HydrophobicContact CD1-CD1 4.21Å; Y202-I204 HydrophobicContact CD1-CG1 3.78Å; Y202-I204 HydrophobicContact CE1-CD1 4.2Å; Y202-I204 HydrophobicContact CE1-CG1 3.7Å
203V92Very high83.8Confident58 Ų5875.7 Ų75.735%0.35241%0.407SS..EExtended strand (participates in β ladder)trans-91.7124.2-175.4-173.30000111.2V34 T36 W189 P201V34-V203 HydrophobicContact CB-CG2 4.23Å; V34-V203 HydrophobicContact CG1-CG1 4.35Å; V34-V203 CarbonylContact O-C 3.59Å; V34-V203 WeakPolarHBondContact O-CA 3.32Å; T36-V203 HydrophobicContact CG2-CG1 4.04Å; W189-V203 HydrophobicContact CB-CG1 4.18Å; W189-V203 HydrophobicContact CB-CG2 3.74Å; W189-V203 HydrophobicContact CD2-CG2 4.44Å; W189-V203 HydrophobicContact CG-CG2 3.67Å; P201-V203 PolarHBondContact O-N 2.88Å
204I93Very high84.8Confident21 Ų2170.9 Ų70.911%0.10838%0.381CS..EExtended strand (participates in β ladder)trans-111121.3173.6-57.2173.6000107.6F18 L19 L22 V34 I35 T36 Y202F18-I204 HydrophobicContact CE1-CD1 4.35Å; F18-I204 HydrophobicContact CE1-CG1 4.43Å; L19-I204 HydrophobicContact CD1-CD1 3.8Å; L22-I204 HydrophobicContact CD1-CD1 3.87Å; V34-I204 PolarHBondContact O-N 3.08Å; I35-I204 WeakPolarHBondContact CA-O 3.33Å; I35-I204 HydrophobicContact CG1-CB 4.44Å; T36-I204 PolarHBondContact N-O 3.44Å; T36-I204 PolarHBondContact OG1-O 3.36Å; Y202-I204 HydrophobicContact CD1-CD1 4.21Å; Y202-I204 HydrophobicContact CD1-CG1 3.78Å; Y202-I204 HydrophobicContact CE1-CD1 4.2Å; Y202-I204 HydrophobicContact CE1-CG1 3.7Å
205S93.1Very high86Confident86 Ų8666.2 Ų66.260%0.60137%0.366SS*.EExtended strand (participates in β ladder)trans-98.3125.4176.3-160.20000110.9
206V92.9Very high87.3Confident2 Ų268.9 Ų68.91%0.01236%0.357CS..  trans-105.5106.3175.3-177.50000108.2I35 T36 G37 P38 C41 K43I35-V206 HydrophobicContact CG2-CG2 3.81Å; T36-V206 PolarHBondContact O-N 3.26Å; G37-V206 WeakPolarHBondContact CA-O 3.29Å; P38-V206 WeakPolarHBondContact CD-O 3.29Å; C41-V206 HydrophobicContact CB-CG1 4.37Å; K43-V206 HydrophobicContact CG-CB 4.17Å; K43-V206 HydrophobicContact CG-CG1 4.42Å; K43-V206 HydrophobicContact CG-CG2 4.4Å
207E92.4Very high88.6Confident148 Ų14865.2 Ų65.269%0.69233%0.334SS*.PPolyproline II helixtrans-65.5166.1-179.8-62.4-175.9172.600112.4R12 C41R12-E207 PolarHBondContact NH1-O 3.26Å; R12-E207 PolarHBondContact NH2-O 3.38Å; C41-E207 WeakPolarHBondContact CB-O 3.18Å
208S92.1Very high89.6Confident41 Ų4162.8 Ų62.829%0.28732%0.323SS..PPolyproline II helixtrans-64151168.356.10000111.1
209Y91.9Very high90.7Very high17 Ų1759.9 Ų59.97%0.06730%0.301CS..PPolyproline II helixtrans-62.2139.2177.9-69.7-80.4000111.9R12 C41 Q213 L214 L217 A249R12-Y209 HydrophobicContact CG-CE1 3.65Å; C41-Y209 WeakPolarHBondContact O-CE2 3.26Å; C41-Y209 VanDerWaalsContact O-CZ 3.25Å; C41-Y209 PolarHBondContact O-OH 3.12Å; Y209-Q213 HydrophobicContact CD1-CB 3.9Å; Y209-L214 HydrophobicContact CD2-CD2 3.97Å; Y209-L214 HydrophobicContact CG-CD2 3.88Å; Y209-L214 HydrophobicContact CG-CG 4.33Å; Y209-L217 HydrophobicContact CE1-CD1 4.21Å; Y209-A249 HydrophobicContact CD2-CB 3.94Å; Y209-A249 HydrophobicContact CE2-CB 3.73Å
210S92.3Very high91.3Very high47 Ų4758.9 Ų58.933%0.32931%0.305SS..PPolyproline II helixtrans-71163.3168.577.10000111.2D212 Q213 L214S210-D212 PolarHBondContact O-N 2.97Å; S210-Q213 PolarHBondContact O-N 3.2Å; S210-Q213 WeakPolarHBondContact OG-CG 3.34Å; S210-Q213 PolarHBondContact OG-N 2.8Å; S210-Q213 VanDerWaalsContact OG-N 3.15Å; S210-L214 WeakPolarHBondContact O-CG 3.49Å; S210-L214 PolarHBondContact O-N 3.1Å
211R93Very high91.5Very high98 Ų9854.2 Ų54.237%0.3729%0.285SS..Hα-helixtrans-54.1-43.7174.5-179.4-179.3173.8156.60.7111.1L214 A215 D236 L239 T240 F243R211-L214 PolarHBondContact O-N 2.83Å; R211-A215 WeakPolarHBondContact O-CB 3.31Å; R211-A215 PolarHBondContact O-N 3.16Å; R211-D236 IonicContact CZ-OD1 2.89Å; R211-D236 IonicContact NE-OD1 2.84Å; R211-D236 IonicContact NH2-OD1 2.59Å; R211-D236 PolarHBondContact NH2-OD1 2.83Å; R211-L239 HydrophobicContact CG-CD1 4.46Å; R211-T240 PolarHBondContact NH2-OG1 2.84Å; R211-T240 VanDerWaalsContact NH2-OG1 3.15Å; R211-F243 HydrophobicContact CB-CD2 4.46Å; R211-F243 HydrophobicContact CB-CE1 4.39Å; R211-F243 HydrophobicContact CB-CE2 4.1Å; R211-F243 HydrophobicContact CB-CZ 4.06Å
212D92.6Very high91.4Very high114 Ų11457.1 Ų57.161%0.6130%0.3SS*.Hα-helixtrans-70.5-36.4-177.7-51.6-34.9000112.5S210 R216S210-D212 PolarHBondContact O-N 2.97Å; D212-R216 WeakPolarHBondContact O-CG 3.46Å; D212-R216 PolarHBondContact O-N 3.15Å; D212-R216 VanDerWaalsContact O-N 3.07Å
213Q92.2Very high90.9Very high35 Ų3553.8 Ų53.816%0.16429%0.292CS..Hα-helixtrans-66.1-43.1173.8-73170.4-3100111.1G11 Y209 S210 R216 L217G11-Q213 PolarHBondContact O-NE2 2.98Å; Y209-Q213 HydrophobicContact CD1-CB 3.9Å; S210-Q213 PolarHBondContact O-N 3.2Å; S210-Q213 WeakPolarHBondContact OG-CG 3.34Å; S210-Q213 PolarHBondContact OG-N 2.8Å; S210-Q213 VanDerWaalsContact OG-N 3.15Å; Q213-R216 PolarHBondContact O-N 2.95Å; Q213-L217 VanDerWaalsContact O-CB 3.3Å; Q213-L217 WeakPolarHBondContact O-CB 3.03Å; Q213-L217 PolarHBondContact O-N 3.49Å
214L92.5Very high90.1Very high0 Ų056.1 Ų56.10%032%0.317CS..Hα-helixtrans-65-41.1175.9-71.7172.6000111.8Y209 S210 R211 L217 L218 L239 F243 A249 L252Y209-L214 HydrophobicContact CD2-CD2 3.97Å; Y209-L214 HydrophobicContact CG-CD2 3.88Å; Y209-L214 HydrophobicContact CG-CG 4.33Å; S210-L214 WeakPolarHBondContact O-CG 3.49Å; S210-L214 PolarHBondContact O-N 3.1Å; R211-L214 PolarHBondContact O-N 2.83Å; L214-L217 PolarHBondContact O-N 2.99Å; L214-L218 WeakPolarHBondContact O-CB 3.34Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 3.37Å; L214-L239 HydrophobicContact CB-CD1 4.45Å; L214-L239 HydrophobicContact CB-CD2 3.94Å; L214-L239 HydrophobicContact CD1-CD2 4.3Å; L214-F243 HydrophobicContact CD1-CD2 3.86Å; L214-F243 HydrophobicContact CD1-CE2 3.94Å; L214-A249 HydrophobicContact CD2-CB 4Å; L214-L252 HydrophobicContact CD1-CD1 3.74Å; L214-L252 HydrophobicContact CD2-CD1 4.18Å; L214-L252 HydrophobicContact CG-CD1 4.48Å
215A93Very high89.3Confident30 Ų3063 Ų6325%0.24836%0.355CS..Hα-helixtrans-58.8-50.3176.300000110.7R211 L217 L218 T219 L239R211-A215 WeakPolarHBondContact O-CB 3.31Å; R211-A215 PolarHBondContact O-N 3.16Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 3.45Å; A215-L218 PolarHBondContact O-N 2.97Å; A215-T219 WeakPolarHBondContact O-CB 3.45Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.06Å; A215-T219 VanDerWaalsContact O-OG1 3.06Å; A215-L239 HydrophobicContact CB-CD1 3.67Å
216R91.5Very high88.5Confident117 Ų11759.9 Ų59.944%0.44233%0.333SS..Hα-helixtrans-59.7-42.9176.3-72.6-171.2-68.5148-5.3112.6V10 E13 D212 Q213 S220V10-R216 HydrophobicContact CG1-CB 4.05Å; E13-R216 IonicContact OE1-NH1 2.67Å; E13-R216 PolarHBondContact OE1-NH1 3.33Å; D212-R216 WeakPolarHBondContact O-CG 3.46Å; D212-R216 PolarHBondContact O-N 3.15Å; D212-R216 VanDerWaalsContact O-N 3.07Å; Q213-R216 PolarHBondContact O-N 2.95Å; R216-S220 WeakPolarHBondContact O-CB 3.22Å; R216-S220 PolarHBondContact O-N 3.1Å
217L91.2Very high88.1Confident22 Ų2262 Ų6212%0.11535%0.349CS..Hα-helixtrans-63.3-47.5178.5-178.1157000111.2Y209 Q213 L214 A215 S220 L221 A249 I253Y209-L217 HydrophobicContact CE1-CD1 4.21Å; Q213-L217 VanDerWaalsContact O-CB 3.3Å; Q213-L217 WeakPolarHBondContact O-CB 3.03Å; Q213-L217 PolarHBondContact O-N 3.49Å; L214-L217 PolarHBondContact O-N 2.99Å; A215-L217 VanDerWaalsContact C-N 3.34Å; A215-L217 PolarHBondContact O-N 3.45Å; L217-S220 PolarHBondContact O-N 2.91Å; L217-S220 PolarHBondContact O-OG 2.98Å; L217-L221 HydrophobicContact CD2-CD1 4.27Å; L217-A249 HydrophobicContact CD1-CB 4.45Å; L217-I253 HydrophobicContact CD2-CD1 3.99Å; L217-I253 HydrophobicContact CD2-CG1 4.12Å
218L91.5Very high87.9Confident1 Ų161 Ų611%0.00534%0.344CS..Hα-helixtrans-68-43.6-179.6-68.3172.7000111.4L214 A215 S220 L221 F231 V235 L238 L239 L252 I253 M256L214-L218 WeakPolarHBondContact O-CB 3.34Å; L214-L218 VanDerWaalsContact O-CG 3.27Å; L214-L218 WeakPolarHBondContact O-CG 3.41Å; L214-L218 PolarHBondContact O-N 3.37Å; A215-L218 PolarHBondContact O-N 2.97Å; L218-S220 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 3.11Å; L218-F231 VanDerWaalsContact O-CE1 3.3Å; L218-F231 WeakPolarHBondContact O-CE1 3.48Å; L218-V235 HydrophobicContact CB-CG1 3.73Å; L218-V235 HydrophobicContact CB-CG2 4Å; L218-V235 HydrophobicContact CD1-CG1 4Å; L218-L238 HydrophobicContact CD1-CD2 4.34Å; L218-L239 HydrophobicContact CD1-CD1 4.45Å; L218-L239 HydrophobicContact CD1-CD2 3.93Å; L218-L239 HydrophobicContact CD1-CG 4.18Å; L218-L252 HydrophobicContact CD2-CB 4.49Å; L218-I253 HydrophobicContact CD2-CG1 3.92Å; L218-M256 HydrophobicContact CB-SD 4.21Å; L218-M256 HydrophobicContact CD2-SD 3.79Å
219T91.2Very high87.6Confident39 Ų3962.4 Ų62.424%0.23935%0.353CS..Hα-helixtrans-58.4-33.8174.4-64.20000112.3A215 L221 L222 N232A215-T219 WeakPolarHBondContact O-CB 3.45Å; A215-T219 PolarHBondContact O-N 3.49Å; A215-T219 PolarHBondContact O-OG1 3.06Å; A215-T219 VanDerWaalsContact O-OG1 3.06Å; T219-L221 PolarHBondContact O-N 3.27Å; T219-L222 PolarHBondContact O-N 2.79Å; T219-N232 WeakPolarHBondContact CG2-OD1 3.44Å; T219-N232 PolarHBondContact OG1-OD1 3.11Å
220S88.2Confident87.3Confident66 Ų6663.6 Ų63.646%0.46236%0.358SS..Hα-helixtrans-67-19177.478.60000114.1R216 L217 L218 L222R216-S220 WeakPolarHBondContact O-CB 3.22Å; R216-S220 PolarHBondContact O-N 3.1Å; L217-S220 PolarHBondContact O-N 2.91Å; L217-S220 PolarHBondContact O-OG 2.98Å; L218-S220 PolarHBondContact O-N 3.48Å; S220-L222 VanDerWaalsContact C-N 3.27Å; S220-L222 PolarHBondContact O-N 3.02Å
221L87.6Confident87.3Confident78 Ų7861.4 Ų61.441%0.40834%0.342SS..THydrogen-bonded Turntrans-93.827.9179.3-62.1171.5000112.2L217 L218 T219 P223 I253 M256L217-L221 HydrophobicContact CD2-CD1 4.27Å; L218-L221 PolarHBondContact O-N 3.11Å; T219-L221 PolarHBondContact O-N 3.27Å; L221-P223 WeakPolarHBondContact O-CD 3.38Å; L221-I253 HydrophobicContact CD1-CD1 3.89Å; L221-I253 HydrophobicContact CD1-CG1 3.69Å; L221-I253 HydrophobicContact CD1-CG2 4.08Å; L221-M256 HydrophobicContact CB-CE 4.05Å
222L85Confident87.2Confident69 Ų6959.5 Ų59.536%0.36134%0.34SS..  trans-51.7123-179-178.568.3000111.5T219 S220 A226 E228 F231T219-L222 PolarHBondContact O-N 2.79Å; S220-L222 VanDerWaalsContact C-N 3.27Å; S220-L222 PolarHBondContact O-N 3.02Å; L222-A226 HydrophobicContact CD1-CB 3.97Å; L222-E228 HydrophobicContact CD2-CB 4.44Å; L222-F231 HydrophobicContact CB-CD1 4.4Å; L222-F231 HydrophobicContact CB-CE1 4.39Å; L222-F231 HydrophobicContact CD1-CB 3.48Å; L222-F231 VanDerWaalsContact CD1-CB 3.48Å; L222-F231 HydrophobicContact CD1-CD1 3.46Å; L222-F231 VanDerWaalsContact CD1-CD1 3.46Å; L222-F231 HydrophobicContact CD1-CD2 4.26Å; L222-F231 HydrophobicContact CD1-CE1 4.17Å; L222-F231 HydrophobicContact CD1-CG 3.48Å; L222-F231 VanDerWaalsContact CD1-CG 3.48Å
223P80.8Confident87Confident41 Ų4157.6 Ų57.627%0.26632%0.324SS..  trans-63.9137.2171.2-2132.7000110.9L221 N225 A226 F231L221-P223 WeakPolarHBondContact O-CD 3.38Å; P223-N225 PolarHBondContact O-N 3.49Å; P223-A226 HydrophobicContact CB-CB 4.35Å; P223-A226 WeakPolarHBondContact O-CB 3.23Å; P223-A226 PolarHBondContact O-N 3.39Å; P223-F231 HydrophobicContact CG-CE2 4.16Å
224A75.4Confident87Confident106 Ų10656 Ų5688%0.87632%0.316SS*.THydrogen-bonded Turntrans-56.5-21.8-173.700000115.4
225N76.3Confident87Confident167 Ų16756 Ų5689%0.89332%0.317SS*.THydrogen-bonded Turntrans-97.3-0.7-177.1-61.9-17.2000113.7P223P223-N225 PolarHBondContact O-N 3.49Å
226A76.1Confident87Confident19 Ų1958.6 Ų58.616%0.15733%0.326CS..SBendtrans-97.3138.9-171.500000112.5L222 P223 E228 W260L222-A226 HydrophobicContact CD1-CB 3.97Å; P223-A226 HydrophobicContact CB-CB 4.35Å; P223-A226 WeakPolarHBondContact O-CB 3.23Å; P223-A226 PolarHBondContact O-N 3.39Å; A226-E228 PolarHBondContact O-N 3.01Å; A226-W260 HydrophobicContact CB-CH2 4.08Å; A226-W260 HydrophobicContact CB-CZ2 3.38Å
227S83.7Confident87Confident48 Ų4853.3 Ų53.334%0.33631%0.307SS..  trans-67.9127.516758.50000110.3S229 R230 F231S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.36Å; S227-R230 PolarHBondContact O-N 2.88Å; S227-R230 VanDerWaalsContact O-N 3.15Å; S227-R230 WeakPolarHBondContact OG-CB 3.5Å; S227-F231 PolarHBondContact O-N 2.98Å; S227-F231 VanDerWaalsContact O-N 3.08Å
228E87.4Confident87.1Confident127 Ų12752.3 Ų52.359%0.59330%0.301SS*.Hα-helixtrans-54.8-42.3-176.4-172.5-177.8172.200113L222 A226 R230 F231 N232L222-E228 HydrophobicContact CD2-CB 4.44Å; A226-E228 PolarHBondContact O-N 3.01Å; E228-R230 PolarHBondContact O-N 2.92Å; E228-F231 PolarHBondContact O-N 2.78Å; E228-N232 WeakPolarHBondContact O-CB 3.08Å; E228-N232 VanDerWaalsContact O-CG 3.31Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 PolarHBondContact O-ND2 3.27Å
229S87Confident87.2Confident69 Ų6952.2 Ų52.248%0.48330%0.301SS..Hα-helixtrans-61.8-44.917956.10000112.7S227 N232 R233S227-S229 VanDerWaalsContact C-N 3.3Å; S227-S229 PolarHBondContact O-N 3.36Å; S229-N232 PolarHBondContact O-N 3.47Å; S229-R233 WeakPolarHBondContact O-CG 3.34Å; S229-R233 PolarHBondContact O-N 3.42Å; S229-R233 VanDerWaalsContact O-N 3.12Å
230R85.8Confident87.2Confident42 Ų4253.6 Ų53.616%0.15831%0.31CS..Hα-helixtrans-65.7-41.4178-170.2-175.6-55.31655.4111.4S227 E228 R233 F234 W260 Y263 D264S227-R230 PolarHBondContact O-N 2.88Å; S227-R230 VanDerWaalsContact O-N 3.15Å; S227-R230 WeakPolarHBondContact OG-CB 3.5Å; E228-R230 PolarHBondContact O-N 2.92Å; R230-R233 PolarHBondContact O-N 2.71Å; R230-F234 PolarHBondContact O-N 3.45Å; R230-W260 HydrophobicContact CG-CH2 4.2Å; R230-Y263 HydrophobicContact CG-CE1 3.91Å; R230-D264 WeakPolarHBondContact CD-OD1 3.3Å; R230-D264 IonicContact CZ-OD1 3.34Å; R230-D264 IonicContact NE-OD1 3.21Å; R230-D264 IonicContact NH1-OD1 3.12Å; R230-D264 PolarHBondContact NH1-OD1 3.4Å
231F91Very high87.3Confident1 Ų151.6 Ų51.60%0.00430%0.295CS..Hα-helixtrans-66.1-41.8178.8-171.3-108.8000111.7L218 L222 P223 S227 E228 R233 F234 V235 M256 W260L218-F231 VanDerWaalsContact O-CE1 3.3Å; L218-F231 WeakPolarHBondContact O-CE1 3.48Å; L222-F231 HydrophobicContact CB-CD1 4.4Å; L222-F231 HydrophobicContact CB-CE1 4.39Å; L222-F231 HydrophobicContact CD1-CB 3.48Å; L222-F231 VanDerWaalsContact CD1-CB 3.48Å; L222-F231 HydrophobicContact CD1-CD1 3.46Å; L222-F231 VanDerWaalsContact CD1-CD1 3.46Å; L222-F231 HydrophobicContact CD1-CD2 4.26Å; L222-F231 HydrophobicContact CD1-CE1 4.17Å; L222-F231 HydrophobicContact CD1-CG 3.48Å; L222-F231 VanDerWaalsContact CD1-CG 3.48Å; P223-F231 HydrophobicContact CG-CE2 4.16Å; S227-F231 PolarHBondContact O-N 2.98Å; S227-F231 VanDerWaalsContact O-N 3.08Å; E228-F231 PolarHBondContact O-N 2.78Å; F231-R233 VanDerWaalsContact C-N 3.35Å; F231-R233 PolarHBondContact O-N 3.44Å; F231-F234 HydrophobicContact CD2-CD1 4.38Å; F231-F234 HydrophobicContact CE2-CD1 4.34Å; F231-F234 WeakPolarHBondContact O-CB 3.42Å; F231-F234 PolarHBondContact O-N 3.32Å; F231-F234 VanDerWaalsContact O-N 3.16Å; F231-V235 HydrophobicContact CD1-CG2 4.08Å; F231-V235 HydrophobicContact CE1-CG2 3.84Å; F231-V235 HydrophobicContact CZ-CG2 4.07Å; F231-V235 WeakPolarHBondContact O-CG2 3.28Å; F231-V235 PolarHBondContact O-N 3.41Å; F231-M256 HydrophobicContact CE2-CG 4.29Å; F231-M256 HydrophobicContact CE2-SD 4.13Å; F231-M256 HydrophobicContact CZ-CE 4.18Å; F231-M256 HydrophobicContact CZ-CG 4.25Å; F231-M256 HydrophobicContact CZ-SD 3.53Å; F231-M256 VanDerWaalsContact CZ-SD 3.53Å; F231-W260 HydrophobicContact CB-CH2 4.1Å; F231-W260 HydrophobicContact CB-CZ3 4.27Å; F231-W260 HydrophobicContact CD2-CD2 4.06Å; F231-W260 AromaticContact CD2-CE3 3.71Å; F231-W260 HydrophobicContact CD2-CE3 3.71Å; F231-W260 AromaticContact CD2-CH2 3.92Å; F231-W260 HydrophobicContact CD2-CH2 3.92Å; F231-W260 HydrophobicContact CD2-CZ2 4.28Å; F231-W260 AromaticContact CD2-CZ3 3.64Å; F231-W260 HydrophobicContact CD2-CZ3 3.64Å; F231-W260 HydrophobicContact CE2-CD2 4.31Å; F231-W260 HydrophobicContact CE2-CE3 4.18Å; F231-W260 HydrophobicContact CG-CZ3 4.43Å
232N91Very high87.5Confident59 Ų5948 Ų4832%0.31628%0.275SS..Hα-helixtrans-60.9-41.7174.9-75.4-27.1000112.6T219 E228 S229 V235 D236T219-N232 WeakPolarHBondContact CG2-OD1 3.44Å; T219-N232 PolarHBondContact OG1-OD1 3.11Å; E228-N232 WeakPolarHBondContact O-CB 3.08Å; E228-N232 VanDerWaalsContact O-CG 3.31Å; E228-N232 PolarHBondContact O-N 3.2Å; E228-N232 PolarHBondContact O-ND2 3.27Å; S229-N232 PolarHBondContact O-N 3.47Å; N232-V235 PolarHBondContact O-N 3.35Å; N232-D236 PolarHBondContact O-N 2.98Å
233R89.5Confident87.8Confident73 Ų7347 Ų4728%0.27527%0.269SS..Hα-helixtrans-61.1-43.1173.2-68.8168.6-178165.1-1.2111.9S229 R230 F231 D236 L237 E277S229-R233 WeakPolarHBondContact O-CG 3.34Å; S229-R233 PolarHBondContact O-N 3.42Å; S229-R233 VanDerWaalsContact O-N 3.12Å; R230-R233 PolarHBondContact O-N 2.71Å; F231-R233 VanDerWaalsContact C-N 3.35Å; F231-R233 PolarHBondContact O-N 3.44Å; R233-D236 PolarHBondContact O-N 3.32Å; R233-L237 WeakPolarHBondContact O-CB 3.5Å; R233-L237 PolarHBondContact O-N 2.95Å; R233-E277 VanDerWaalsContact CZ-CG 3.47Å; R233-E277 IonicContact CZ-OE1 3.76Å; R233-E277 IonicContact NE-OE1 3.13Å; R233-E277 PolarHBondContact NE-OE1 2.91Å; R233-E277 IonicContact NH2-OE1 2.99Å; R233-E277 PolarHBondContact NH2-OE1 2.82Å
234F91.6Very high88.3Confident1 Ų149.9 Ų49.90%0.00429%0.287CS..Hα-helixtrans-63.3-44.2176.2169.3-110.1000112.4R230 F231 D236 L237 L238 M256 N259 W260 Y263 L288R230-F234 PolarHBondContact O-N 3.45Å; F231-F234 HydrophobicContact CD2-CD1 4.38Å; F231-F234 HydrophobicContact CE2-CD1 4.34Å; F231-F234 WeakPolarHBondContact O-CB 3.42Å; F231-F234 PolarHBondContact O-N 3.32Å; F231-F234 VanDerWaalsContact O-N 3.16Å; F234-D236 VanDerWaalsContact C-N 3.34Å; F234-D236 PolarHBondContact O-N 3.42Å; F234-L237 WeakPolarHBondContact O-CB 3.27Å; F234-L237 PolarHBondContact O-N 3.48Å; F234-L238 WeakPolarHBondContact O-CB 3.46Å; F234-L238 PolarHBondContact O-N 3.12Å; F234-M256 HydrophobicContact CE1-CB 4.42Å; F234-M256 HydrophobicContact CE1-CG 3.75Å; F234-N259 HydrophobicContact CE2-CB 4.24Å; F234-N259 HydrophobicContact CZ-CB 4.02Å; F234-W260 HydrophobicContact CB-CE3 4.08Å; F234-W260 HydrophobicContact CB-CZ3 3.77Å; F234-W260 AromaticContact CD1-CE3 3.48Å; F234-W260 HydrophobicContact CD1-CE3 3.48Å; F234-W260 VanDerWaalsContact CD1-CE3 3.48Å; F234-W260 HydrophobicContact CD1-CZ3 4.01Å; F234-W260 HydrophobicContact CD2-CE3 4.45Å; F234-W260 HydrophobicContact CE1-CB 4.1Å; F234-W260 AromaticContact CE1-CE3 3.93Å; F234-W260 HydrophobicContact CE1-CE3 3.93Å; F234-W260 AromaticContact CG-CE3 3.75Å; F234-W260 HydrophobicContact CG-CE3 3.75Å; F234-W260 AromaticContact CG-CZ3 3.98Å; F234-W260 HydrophobicContact CG-CZ3 3.98Å; F234-W260 HydrophobicContact CZ-CB 4.34Å; F234-Y263 HydrophobicContact CB-CD1 4.01Å; F234-Y263 HydrophobicContact CB-CD2 4.48Å; F234-Y263 HydrophobicContact CB-CE1 3.96Å; F234-Y263 HydrophobicContact CB-CE2 4.42Å; F234-Y263 HydrophobicContact CB-CG 4.29Å; F234-Y263 HydrophobicContact CD2-CD1 4.04Å; F234-Y263 AromaticContact CD2-CD2 3.5Å; F234-Y263 HydrophobicContact CD2-CD2 3.5Å; F234-Y263 HydrophobicContact CD2-CE2 4.11Å; F234-Y263 AromaticContact CD2-CG 3.47Å; F234-Y263 HydrophobicContact CD2-CG 3.47Å; F234-Y263 VanDerWaalsContact CD2-CG 3.47Å; F234-Y263 HydrophobicContact CE2-CD2 4.19Å; F234-Y263 HydrophobicContact CE2-CG 4.09Å; F234-Y263 HydrophobicContact CG-CD1 4.25Å; F234-Y263 HydrophobicContact CG-CD2 4.4Å; F234-Y263 HydrophobicContact CG-CG 4.14Å; F234-L288 HydrophobicContact CE2-CD2 4.43Å
235V92.8Very high88.9Confident2 Ų249.2 Ų49.21%0.01227%0.272CS..Hα-helixtrans-61.9-42.5177.6169.90000110.8L218 F231 N232 L238 L239L218-V235 HydrophobicContact CB-CG1 3.73Å; L218-V235 HydrophobicContact CB-CG2 4Å; L218-V235 HydrophobicContact CD1-CG1 4Å; F231-V235 HydrophobicContact CD1-CG2 4.08Å; F231-V235 HydrophobicContact CE1-CG2 3.84Å; F231-V235 HydrophobicContact CZ-CG2 4.07Å; F231-V235 WeakPolarHBondContact O-CG2 3.28Å; F231-V235 PolarHBondContact O-N 3.41Å; N232-V235 PolarHBondContact O-N 3.35Å; V235-L238 PolarHBondContact O-N 3.31Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CB 2.91Å; V235-L239 WeakPolarHBondContact O-CG 3.28Å; V235-L239 PolarHBondContact O-N 3.33Å
236D93Very high89.6Confident83 Ų8341.3 Ų41.344%0.44423%0.23SC..Hα-helixtrans-65.7-38.9177-169.539.3000112.4R211 N232 R233 F234 T240R211-D236 IonicContact CZ-OD1 2.89Å; R211-D236 IonicContact NE-OD1 2.84Å; R211-D236 IonicContact NH2-OD1 2.59Å; R211-D236 PolarHBondContact NH2-OD1 2.83Å; N232-D236 PolarHBondContact O-N 2.98Å; R233-D236 PolarHBondContact O-N 3.32Å; F234-D236 VanDerWaalsContact C-N 3.34Å; F234-D236 PolarHBondContact O-N 3.42Å; D236-T240 VanDerWaalsContact O-CB 3.28Å; D236-T240 WeakPolarHBondContact O-CB 3.4Å; D236-T240 PolarHBondContact O-N 3.4Å; D236-T240 PolarHBondContact O-OG1 2.65Å
237L91.9Very high90.2Very high7 Ų747.2 Ų47.24%0.03725%0.248CC..Hα-helixtrans-62.2-48.5172.1172.354.4000111.9R233 F234 L239 T240 V241 Y263 W281 A284 L288R233-L237 WeakPolarHBondContact O-CB 3.5Å; R233-L237 PolarHBondContact O-N 2.95Å; F234-L237 WeakPolarHBondContact O-CB 3.27Å; F234-L237 PolarHBondContact O-N 3.48Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 3.16Å; L237-T240 PolarHBondContact O-N 2.91Å; L237-V241 HydrophobicContact CD1-CG2 4.04Å; L237-V241 PolarHBondContact O-N 3.27Å; L237-Y263 HydrophobicContact CD2-CD2 4.37Å; L237-Y263 HydrophobicContact CD2-CE2 3.87Å; L237-W281 HydrophobicContact CD1-CG 4.18Å; L237-W281 HydrophobicContact CD2-CG 4.48Å; L237-A284 HydrophobicContact CD2-CB 3.8Å; L237-L288 HydrophobicContact CD1-CD1 4.28Å; L237-L288 HydrophobicContact CD2-CD1 3.92Å; L237-L288 HydrophobicContact CG-CD1 3.67Å
238L92.6Very high90.6Very high0 Ų046.2 Ų46.20%024%0.239CC..Hα-helixtrans-58.4-47.5178.7-179.569.6000110.5L218 F234 V235 V241 C242 L255 M256 L288L218-L238 HydrophobicContact CD1-CD2 4.34Å; F234-L238 WeakPolarHBondContact O-CB 3.46Å; F234-L238 PolarHBondContact O-N 3.12Å; V235-L238 PolarHBondContact O-N 3.31Å; L238-V241 PolarHBondContact O-N 2.99Å; L238-C242 WeakPolarHBondContact O-CB 3.44Å; L238-C242 PolarHBondContact O-N 2.99Å; L238-L255 HydrophobicContact CD1-CB 4.43Å; L238-M256 HydrophobicContact CD2-CB 3.85Å; L238-M256 HydrophobicContact CD2-CG 4.37Å; L238-L288 HydrophobicContact CD1-CD2 3.88Å
239L93.1Very high90.8Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-65.7-39.9177.5-70.4175.1000111.6R211 L214 A215 L218 V235 L237 V241 F243 L252R211-L239 HydrophobicContact CG-CD1 4.46Å; L214-L239 HydrophobicContact CB-CD1 4.45Å; L214-L239 HydrophobicContact CB-CD2 3.94Å; L214-L239 HydrophobicContact CD1-CD2 4.3Å; A215-L239 HydrophobicContact CB-CD1 3.67Å; L218-L239 HydrophobicContact CD1-CD1 4.45Å; L218-L239 HydrophobicContact CD1-CD2 3.93Å; L218-L239 HydrophobicContact CD1-CG 4.18Å; V235-L239 HydrophobicContact CG1-CD1 3.98Å; V235-L239 HydrophobicContact CG1-CG 4.42Å; V235-L239 WeakPolarHBondContact O-CB 2.91Å; V235-L239 WeakPolarHBondContact O-CG 3.28Å; V235-L239 PolarHBondContact O-N 3.33Å; L237-L239 VanDerWaalsContact C-N 3.34Å; L237-L239 PolarHBondContact O-N 3.16Å; L239-V241 VanDerWaalsContact C-N 3.28Å; L239-V241 PolarHBondContact O-N 3.31Å; L239-F243 WeakPolarHBondContact O-CA 3.5Å; L239-F243 WeakPolarHBondContact O-CB 3.41Å; L239-F243 PolarHBondContact O-N 2.84Å; L239-L252 HydrophobicContact CD2-CD1 4.24Å
240T92.3Very high90.9Very high68 Ų6839.1 Ų39.142%0.41721%0.21SC..Hα-helixtrans-60.4-37.7177.6-63.20000112.3R211 D236 L237R211-T240 PolarHBondContact NH2-OG1 2.84Å; R211-T240 VanDerWaalsContact NH2-OG1 3.15Å; D236-T240 VanDerWaalsContact O-CB 3.28Å; D236-T240 WeakPolarHBondContact O-CB 3.4Å; D236-T240 PolarHBondContact O-N 3.4Å; D236-T240 PolarHBondContact O-OG1 2.65Å; L237-T240 PolarHBondContact O-N 2.91Å
241V90.6Very high91Very high24 Ų2437.9 Ų37.915%0.14521%0.206CC..Hα-helixtrans-85.2-42.1179.9178.60000112.4L237 L238 L239 L288 K289 L292L237-V241 HydrophobicContact CD1-CG2 4.04Å; L237-V241 PolarHBondContact O-N 3.27Å; L238-V241 PolarHBondContact O-N 2.99Å; L239-V241 VanDerWaalsContact C-N 3.28Å; L239-V241 PolarHBondContact O-N 3.31Å; V241-L288 HydrophobicContact CG1-CB 4.38Å; V241-K289 HydrophobicContact CG1-CG 4.35Å; V241-L292 HydrophobicContact CG1-CD1 4.23Å
242C90.5Very high91Very high1 Ų137.8 Ų37.81%0.00721%0.206CC..Hα-helixtrans-94.9-28.1-169.7-63.80000114.3L238 P244 V245 C246 L252L238-C242 WeakPolarHBondContact O-CB 3.44Å; L238-C242 PolarHBondContact O-N 2.99Å; C242-P244 VanDerWaalsContact C-CD 3.45Å; C242-V245 PolarHBondContact O-N 3.35Å; C242-C246 PolarHBondContact O-N 3.27Å; C242-L252 HydrophobicContact CB-CD2 3.72Å
243F91.1Very high91Very high49 Ų4937.3 Ų37.322%0.21520%0.202CC..THydrogen-bonded Turntrans-58.4-36.4-176.5-176.7-101.3000114.6R211 L214 L239 V245R211-F243 HydrophobicContact CB-CD2 4.46Å; R211-F243 HydrophobicContact CB-CE1 4.39Å; R211-F243 HydrophobicContact CB-CE2 4.1Å; R211-F243 HydrophobicContact CB-CZ 4.06Å; L214-F243 HydrophobicContact CD1-CD2 3.86Å; L214-F243 HydrophobicContact CD1-CE2 3.94Å; L239-F243 WeakPolarHBondContact O-CA 3.5Å; L239-F243 WeakPolarHBondContact O-CB 3.41Å; L239-F243 PolarHBondContact O-N 2.84Å; F243-V245 PolarHBondContact O-N 3.38Å
244P90.8Very high90.9Very high102 Ų10237 Ų3766%0.66220%0.204SC*.THydrogen-bonded Turntrans-62.9-24.8175.1-24.335.6000114C242C242-P244 VanDerWaalsContact C-CD 3.45Å
245V90Very high90.8Very high92 Ų9237.6 Ų37.656%0.55821%0.207SC*.THydrogen-bonded Turntrans-106.6-38.6-173.9-177.20000112.3C242 F243 L292C242-V245 PolarHBondContact O-N 3.35Å; F243-V245 PolarHBondContact O-N 3.38Å; V245-L292 HydrophobicContact CB-CD1 4.29Å; V245-L292 HydrophobicContact CB-CD2 4.48Å; V245-L292 HydrophobicContact CG1-CD2 4.14Å; V245-L292 HydrophobicContact CG2-CD1 4.02Å; V245-L292 HydrophobicContact CG2-CD2 4.23Å
246C89.6Confident90.7Very high0 Ų037.6 Ų37.60%021%0.207CC..  trans-128.7124.1-175.6-174.20000111.4C242 L295C242-C246 PolarHBondContact O-N 3.27Å; C246-L295 HydrophobicContact CB-CD1 3.78Å; C246-L295 HydrophobicContact CB-CD2 4.15Å
247R89.4Confident90.4Very high144 Ų14437.8 Ų37.854%0.54321%0.208SC..  trans-110.99173-61-175.8-178176.31.9113.1
248N91.4Very high90.2Very high27 Ų2740.8 Ų40.814%0.14422%0.223CC..  trans-85.1116.5-179.5-176.9-20.2000109.4G40 G250 E251 L252G40-N248 WeakPolarHBondContact CA-OD1 3.08Å; N248-G250 VanDerWaalsContact C-N 3.33Å; N248-G250 PolarHBondContact O-N 3.42Å; N248-G250 PolarHBondContact OD1-N 2.98Å; N248-E251 HydrophobicContact CB-CB 4.31Å; N248-E251 HydrophobicContact CB-CG 4.31Å; N248-E251 PolarHBondContact O-N 2.84Å; N248-L252 WeakPolarHBondContact O-CG 3.15Å; N248-L252 PolarHBondContact O-N 2.97Å; N248-L252 VanDerWaalsContact O-N 3.1Å
249A90.9Very high90Very high8 Ų841.2 Ų41.27%0.06623%0.226CC..Hα-helixtrans-61.2-39.7-177.900000112.5G40 Y209 L214 L217 E251 L252 I253G40-A249 PolarHBondContact O-N 3.3Å; Y209-A249 HydrophobicContact CD2-CB 3.94Å; Y209-A249 HydrophobicContact CE2-CB 3.73Å; L214-A249 HydrophobicContact CD2-CB 4Å; L217-A249 HydrophobicContact CD1-CB 4.45Å; A249-E251 PolarHBondContact O-N 3.09Å; A249-L252 PolarHBondContact O-N 3.26Å; A249-I253 WeakPolarHBondContact O-CD1 3.46Å; A249-I253 VanDerWaalsContact O-CG1 3.23Å; A249-I253 WeakPolarHBondContact O-CG1 3.38Å; A249-I253 PolarHBondContact O-N 3.05Å
250G89.4Confident89.8Confident39 Ų3942.2 Ų42.240%0.40223%0.23SC..Hα-helixtrans-64.2-39.2-178.400000113.1N248 H254N248-G250 VanDerWaalsContact C-N 3.33Å; N248-G250 PolarHBondContact O-N 3.42Å; N248-G250 PolarHBondContact OD1-N 2.98Å; G250-H254 PolarHBondContact O-N 3.33Å
251E89.3Confident89.4Confident15 Ų1544.5 Ų44.57%0.0724%0.239CC..Hα-helixtrans-74.8-34.1177.3-64.8-64.3139.600111.9N248 A249 H254 L255 Y296 R298N248-E251 HydrophobicContact CB-CB 4.31Å; N248-E251 HydrophobicContact CB-CG 4.31Å; N248-E251 PolarHBondContact O-N 2.84Å; A249-E251 PolarHBondContact O-N 3.09Å; E251-H254 PolarHBondContact O-N 2.97Å; E251-L255 WeakPolarHBondContact O-CB 3.21Å; E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 3.18Å; E251-Y296 HydrophobicContact CB-CE1 4.45Å; E251-Y296 HydrophobicContact CG-CD1 3.81Å; E251-Y296 HydrophobicContact CG-CE1 3.5Å; E251-Y296 VanDerWaalsContact CG-CE1 3.5Å; E251-R298 IonicContact OE1-CZ 2.69Å; E251-R298 IonicContact OE1-NE 2.75Å; E251-R298 IonicContact OE1-NH2 3.98Å; E251-R298 PolarHBondContact OE1-NH2 2.85Å
252L91Very high89.2Confident0 Ų045 Ų450%025%0.246CC..Hα-helixtrans-65.9-40.1172.9-70.8173.2000112L214 L218 L239 C242 N248 A249 H254 L255 M256L214-L252 HydrophobicContact CD1-CD1 3.74Å; L214-L252 HydrophobicContact CD2-CD1 4.18Å; L214-L252 HydrophobicContact CG-CD1 4.48Å; L218-L252 HydrophobicContact CD2-CB 4.49Å; L239-L252 HydrophobicContact CD2-CD1 4.24Å; C242-L252 HydrophobicContact CB-CD2 3.72Å; N248-L252 WeakPolarHBondContact O-CG 3.15Å; N248-L252 PolarHBondContact O-N 2.97Å; N248-L252 VanDerWaalsContact O-N 3.1Å; A249-L252 PolarHBondContact O-N 3.26Å; L252-H254 VanDerWaalsContact C-N 3.32Å; L252-H254 PolarHBondContact O-N 3.41Å; L252-L255 PolarHBondContact O-N 3.14Å; L252-M256 VanDerWaalsContact O-CB 3.27Å; L252-M256 WeakPolarHBondContact O-CB 3.24Å; L252-M256 PolarHBondContact O-N 3.41Å
253I90.3Very high89Confident48 Ų4845.5 Ų45.525%0.24625%0.248CC..Hα-helixtrans-60.9-43.5172.6-66.7161.7000110.3L217 L218 L221 A249 M256 N257L217-I253 HydrophobicContact CD2-CD1 3.99Å; L217-I253 HydrophobicContact CD2-CG1 4.12Å; L218-I253 HydrophobicContact CD2-CG1 3.92Å; L221-I253 HydrophobicContact CD1-CD1 3.89Å; L221-I253 HydrophobicContact CD1-CG1 3.69Å; L221-I253 HydrophobicContact CD1-CG2 4.08Å; A249-I253 WeakPolarHBondContact O-CD1 3.46Å; A249-I253 VanDerWaalsContact O-CG1 3.23Å; A249-I253 WeakPolarHBondContact O-CG1 3.38Å; A249-I253 PolarHBondContact O-N 3.05Å; I253-M256 WeakPolarHBondContact O-CB 3.37Å; I253-M256 PolarHBondContact O-N 3.28Å; I253-N257 PolarHBondContact O-N 2.97Å; I253-N257 PolarHBondContact O-ND2 3.21Å
254H88.5Confident88.8Confident68 Ų6844.5 Ų44.532%0.31525%0.245SC..Hα-helixtrans-62.2-46.7177.1-179.760.3000112.2G250 E251 L252 M256 N257 I258G250-H254 PolarHBondContact O-N 3.33Å; E251-H254 PolarHBondContact O-N 2.97Å; L252-H254 VanDerWaalsContact C-N 3.32Å; L252-H254 PolarHBondContact O-N 3.41Å; H254-M256 VanDerWaalsContact C-N 3.31Å; H254-M256 PolarHBondContact O-N 3.13Å; H254-N257 PolarHBondContact O-N 2.89Å; H254-I258 VanDerWaalsContact CE1-CD1 3.4Å; H254-I258 WeakPolarHBondContact CE1-CD1 3.21Å; H254-I258 VanDerWaalsContact NE2-CD1 3.28Å; H254-I258 WeakPolarHBondContact NE2-CD1 3.24Å; H254-I258 PolarHBondContact O-N 3.07Å; H254-I258 VanDerWaalsContact O-N 3.15Å
255L89Confident88.6Confident12 Ų1243.8 Ų43.86%0.06323%0.233CC..Hα-helixtrans-63.1-37176-73.9176.6000112.6L238 E251 L252 N259 L295L238-L255 HydrophobicContact CD1-CB 4.43Å; E251-L255 WeakPolarHBondContact O-CB 3.21Å; E251-L255 WeakPolarHBondContact O-CG 3.35Å; E251-L255 PolarHBondContact O-N 3.18Å; L252-L255 PolarHBondContact O-N 3.14Å; L255-N259 VanDerWaalsContact O-CB 3.3Å; L255-N259 WeakPolarHBondContact O-CB 3.47Å; L255-N259 PolarHBondContact O-N 3.04Å; L255-N259 PolarHBondContact O-ND2 3.1Å; L255-L295 HydrophobicContact CD1-CD1 3.65Å; L255-L295 HydrophobicContact CD1-CG 4.03Å
256M89.6Confident88.5Confident2 Ų240.4 Ų40.41%0.0121%0.212CC..Hα-helixtrans-59.4-50.7174.8-176.9-164.979.200110.2L218 L221 F231 F234 L238 L252 I253 H254 I258 N259 W260L218-M256 HydrophobicContact CB-SD 4.21Å; L218-M256 HydrophobicContact CD2-SD 3.79Å; L221-M256 HydrophobicContact CB-CE 4.05Å; F231-M256 HydrophobicContact CE2-CG 4.29Å; F231-M256 HydrophobicContact CE2-SD 4.13Å; F231-M256 HydrophobicContact CZ-CE 4.18Å; F231-M256 HydrophobicContact CZ-CG 4.25Å; F231-M256 HydrophobicContact CZ-SD 3.53Å; F231-M256 VanDerWaalsContact CZ-SD 3.53Å; F234-M256 HydrophobicContact CE1-CB 4.42Å; F234-M256 HydrophobicContact CE1-CG 3.75Å; L238-M256 HydrophobicContact CD2-CB 3.85Å; L238-M256 HydrophobicContact CD2-CG 4.37Å; L252-M256 VanDerWaalsContact O-CB 3.27Å; L252-M256 WeakPolarHBondContact O-CB 3.24Å; L252-M256 PolarHBondContact O-N 3.41Å; I253-M256 WeakPolarHBondContact O-CB 3.37Å; I253-M256 PolarHBondContact O-N 3.28Å; H254-M256 VanDerWaalsContact C-N 3.31Å; H254-M256 PolarHBondContact O-N 3.13Å; M256-I258 PolarHBondContact O-N 3.26Å; M256-N259 PolarHBondContact O-N 3.42Å; M256-W260 WeakPolarHBondContact O-CB 3.44Å; M256-W260 PolarHBondContact O-N 3.1Å
257N88Confident88.3Confident88 Ų8841.2 Ų41.247%0.47122%0.217SC..Hα-helixtrans-62.7-38.9-178.5-71-20.7000113.2I253 H254I253-N257 PolarHBondContact O-N 2.97Å; I253-N257 PolarHBondContact O-ND2 3.21Å; H254-N257 PolarHBondContact O-N 2.89Å
258I86.6Confident88.2Confident70 Ų7040 Ų4036%0.35922%0.222SC..Hα-helixtrans-70.1-50.1177.9-68.5170.4000110.8H254 M256H254-I258 VanDerWaalsContact CE1-CD1 3.4Å; H254-I258 WeakPolarHBondContact CE1-CD1 3.21Å; H254-I258 VanDerWaalsContact NE2-CD1 3.28Å; H254-I258 WeakPolarHBondContact NE2-CD1 3.24Å; H254-I258 PolarHBondContact O-N 3.07Å; H254-I258 VanDerWaalsContact O-N 3.15Å; M256-I258 PolarHBondContact O-N 3.26Å
259N88.7Confident88Confident9 Ų945.1 Ų45.15%0.04824%0.242CC..Hα-helixtrans-83-17.3-170-61.8-54.9000112.9F234 L255 M256 N261 A262 Y263 L288 S291F234-N259 HydrophobicContact CE2-CB 4.24Å; F234-N259 HydrophobicContact CZ-CB 4.02Å; L255-N259 VanDerWaalsContact O-CB 3.3Å; L255-N259 WeakPolarHBondContact O-CB 3.47Å; L255-N259 PolarHBondContact O-N 3.04Å; L255-N259 PolarHBondContact O-ND2 3.1Å; M256-N259 PolarHBondContact O-N 3.42Å; N259-N261 VanDerWaalsContact C-N 3.33Å; N259-N261 PolarHBondContact O-N 2.94Å; N259-A262 PolarHBondContact O-N 3.46Å; N259-Y263 WeakPolarHBondContact O-CB 3.35Å; N259-Y263 PolarHBondContact O-N 3.46Å; N259-L288 HydrophobicContact CB-CD2 3.62Å; N259-S291 PolarHBondContact OD1-OG 3.19Å
260W88.3Confident87.7Confident21 Ų2147.7 Ų47.78%0.0827%0.27CS..Hα-helixtrans-58.5-45.8176.7174.6-110000111.7A226 R230 F231 F234 M256 A262 Y263 D264A226-W260 HydrophobicContact CB-CH2 4.08Å; A226-W260 HydrophobicContact CB-CZ2 3.38Å; R230-W260 HydrophobicContact CG-CH2 4.2Å; F231-W260 HydrophobicContact CB-CH2 4.1Å; F231-W260 HydrophobicContact CB-CZ3 4.27Å; F231-W260 HydrophobicContact CD2-CD2 4.06Å; F231-W260 AromaticContact CD2-CE3 3.71Å; F231-W260 HydrophobicContact CD2-CE3 3.71Å; F231-W260 AromaticContact CD2-CH2 3.92Å; F231-W260 HydrophobicContact CD2-CH2 3.92Å; F231-W260 HydrophobicContact CD2-CZ2 4.28Å; F231-W260 AromaticContact CD2-CZ3 3.64Å; F231-W260 HydrophobicContact CD2-CZ3 3.64Å; F231-W260 HydrophobicContact CE2-CD2 4.31Å; F231-W260 HydrophobicContact CE2-CE3 4.18Å; F231-W260 HydrophobicContact CG-CZ3 4.43Å; F234-W260 HydrophobicContact CB-CE3 4.08Å; F234-W260 HydrophobicContact CB-CZ3 3.77Å; F234-W260 AromaticContact CD1-CE3 3.48Å; F234-W260 HydrophobicContact CD1-CE3 3.48Å; F234-W260 VanDerWaalsContact CD1-CE3 3.48Å; F234-W260 HydrophobicContact CD1-CZ3 4.01Å; F234-W260 HydrophobicContact CD2-CE3 4.45Å; F234-W260 HydrophobicContact CE1-CB 4.1Å; F234-W260 AromaticContact CE1-CE3 3.93Å; F234-W260 HydrophobicContact CE1-CE3 3.93Å; F234-W260 AromaticContact CG-CE3 3.75Å; F234-W260 HydrophobicContact CG-CE3 3.75Å; F234-W260 AromaticContact CG-CZ3 3.98Å; F234-W260 HydrophobicContact CG-CZ3 3.98Å; F234-W260 HydrophobicContact CZ-CB 4.34Å; M256-W260 WeakPolarHBondContact O-CB 3.44Å; M256-W260 PolarHBondContact O-N 3.1Å; W260-A262 VanDerWaalsContact C-N 3.31Å; W260-A262 PolarHBondContact O-N 3.48Å; W260-Y263 HydrophobicContact CE3-CD1 4.27Å; W260-Y263 AromaticContact CZ3-CD1 3.9Å; W260-Y263 HydrophobicContact CZ3-CD1 3.9Å; W260-Y263 HydrophobicContact CZ3-CE1 4.43Å; W260-Y263 WeakPolarHBondContact O-CB 3.44Å; W260-Y263 PolarHBondContact O-N 2.95Å; W260-Y263 VanDerWaalsContact O-N 3.1Å; W260-D264 PolarHBondContact O-N 2.59Å
261N85.1Confident87.6Confident116 Ų11651.8 Ų51.862%0.6228%0.282SS*.Hα-helixtrans-61.1-41.5179.2-64.6-20.7000111.7N259 Y263 E265N259-N261 VanDerWaalsContact C-N 3.33Å; N259-N261 PolarHBondContact O-N 2.94Å; N261-Y263 VanDerWaalsContact C-N 3.35Å; N261-E265 WeakPolarHBondContact O-CB 3.35Å; N261-E265 PolarHBondContact O-N 3.31Å; N261-E265 VanDerWaalsContact O-N 3.14Å
262A85.1Confident87.3Confident35 Ų3551.8 Ų51.829%0.28928%0.283SS..Hα-helixtrans-72.2-27.517700000112.9N259 W260 P266N259-A262 PolarHBondContact O-N 3.46Å; W260-A262 VanDerWaalsContact C-N 3.31Å; W260-A262 PolarHBondContact O-N 3.48Å; A262-P266 VanDerWaalsContact O-CD 3.24Å; A262-P266 WeakPolarHBondContact O-CD 3.47Å
263Y86.9Confident87Confident11 Ų1154.4 Ų54.44%0.04331%0.305CS..Hα-helixtrans-73.3-37.7175.8-177.2-89.7000112R230 F234 L237 N259 W260 N261 P266 Q280 A284R230-Y263 HydrophobicContact CG-CE1 3.91Å; F234-Y263 HydrophobicContact CB-CD1 4.01Å; F234-Y263 HydrophobicContact CB-CD2 4.48Å; F234-Y263 HydrophobicContact CB-CE1 3.96Å; F234-Y263 HydrophobicContact CB-CE2 4.42Å; F234-Y263 HydrophobicContact CB-CG 4.29Å; F234-Y263 HydrophobicContact CD2-CD1 4.04Å; F234-Y263 AromaticContact CD2-CD2 3.5Å; F234-Y263 HydrophobicContact CD2-CD2 3.5Å; F234-Y263 HydrophobicContact CD2-CE2 4.11Å; F234-Y263 AromaticContact CD2-CG 3.47Å; F234-Y263 HydrophobicContact CD2-CG 3.47Å; F234-Y263 VanDerWaalsContact CD2-CG 3.47Å; F234-Y263 HydrophobicContact CE2-CD2 4.19Å; F234-Y263 HydrophobicContact CE2-CG 4.09Å; F234-Y263 HydrophobicContact CG-CD1 4.25Å; F234-Y263 HydrophobicContact CG-CD2 4.4Å; F234-Y263 HydrophobicContact CG-CG 4.14Å; L237-Y263 HydrophobicContact CD2-CD2 4.37Å; L237-Y263 HydrophobicContact CD2-CE2 3.87Å; N259-Y263 WeakPolarHBondContact O-CB 3.35Å; N259-Y263 PolarHBondContact O-N 3.46Å; W260-Y263 HydrophobicContact CE3-CD1 4.27Å; W260-Y263 AromaticContact CZ3-CD1 3.9Å; W260-Y263 HydrophobicContact CZ3-CD1 3.9Å; W260-Y263 HydrophobicContact CZ3-CE1 4.43Å; W260-Y263 WeakPolarHBondContact O-CB 3.44Å; W260-Y263 PolarHBondContact O-N 2.95Å; W260-Y263 VanDerWaalsContact O-N 3.1Å; N261-Y263 VanDerWaalsContact C-N 3.35Å; Y263-P266 WeakPolarHBondContact O-CD 3.2Å; Y263-Q280 HydrophobicContact CE2-CB 4.2Å; Y263-Q280 WeakPolarHBondContact OH-CB 3.39Å; Y263-Q280 PolarHBondContact OH-OE1 3.43Å; Y263-A284 HydrophobicContact CD2-CB 3.45Å; Y263-A284 VanDerWaalsContact CD2-CB 3.45Å; Y263-A284 HydrophobicContact CE2-CB 3.81Å
264D86.9Confident86.6Confident28 Ų2855.1 Ų55.115%0.1531%0.313CS..Hα-helixtrans-82.6-24-177.9-159.452000112.9R230 W260 V267 N268R230-D264 WeakPolarHBondContact CD-OD1 3.3Å; R230-D264 IonicContact CZ-OD1 3.34Å; R230-D264 IonicContact NE-OD1 3.21Å; R230-D264 IonicContact NH1-OD1 3.12Å; R230-D264 PolarHBondContact NH1-OD1 3.4Å; W260-D264 PolarHBondContact O-N 2.59Å; D264-V267 PolarHBondContact O-N 2.88Å; D264-V267 VanDerWaalsContact O-N 3.13Å; D264-N268 PolarHBondContact O-N 3.27Å; D264-N268 PolarHBondContact O-ND2 3.25Å; D264-N268 PolarHBondContact OD2-ND2 3.47Å
265E87.3Confident86.3Confident87 Ų8758.1 Ų58.141%0.40733%0.331SS..Hα-helixtrans-54.4-45.8180178.5-174.2-176.900114.6N261 V267 N268 K269N261-E265 WeakPolarHBondContact O-CB 3.35Å; N261-E265 PolarHBondContact O-N 3.31Å; N261-E265 VanDerWaalsContact O-N 3.14Å; E265-V267 VanDerWaalsContact C-N 3.27Å; E265-V267 PolarHBondContact O-N 2.97Å; E265-N268 PolarHBondContact O-N 3.16Å; E265-K269 HydrophobicContact CG-CD 3.96Å; E265-K269 HydrophobicContact CG-CG 4.42Å; E265-K269 WeakPolarHBondContact O-CB 3.36Å; E265-K269 WeakPolarHBondContact O-CG 3.21Å; E265-K269 PolarHBondContact O-N 3.25Å; E265-K269 WeakPolarHBondContact OE1-CE 3.33Å; E265-K269 IonicContact OE1-NZ 3.71Å; E265-K269 PolarHBondContact OE1-NZ 3.44Å
266P87Confident86.2Confident21 Ų2161 Ų6114%0.13635%0.346CS..Hα-helixtrans-60.6-33176.6-24.633.7000114.1A262 Y263 G270 L271 L283A262-P266 VanDerWaalsContact O-CD 3.24Å; A262-P266 WeakPolarHBondContact O-CD 3.47Å; Y263-P266 WeakPolarHBondContact O-CD 3.2Å; P266-G270 PolarHBondContact O-N 2.94Å; P266-L271 HydrophobicContact CB-CB 4.47Å; P266-L271 PolarHBondContact O-N 3.03Å; P266-L283 HydrophobicContact CB-CD1 3.99Å; P266-L283 HydrophobicContact CG-CD1 4.36Å
267V86.1Confident86.1Confident17 Ų1766 Ų6610%0.10337%0.37CS..Hα-helixtrans-74.4-43.7177.8-176.50000109.6D264 E265 K269 G270 P274 Q280D264-V267 PolarHBondContact O-N 2.88Å; D264-V267 VanDerWaalsContact O-N 3.13Å; E265-V267 VanDerWaalsContact C-N 3.27Å; E265-V267 PolarHBondContact O-N 2.97Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 3.13Å; V267-G270 PolarHBondContact O-N 3.11Å; V267-P274 HydrophobicContact CG1-CB 4.21Å; V267-Q280 HydrophobicContact CG2-CG 3.99Å
268N85.9Confident86Confident118 Ų11870 Ų7063%0.63138%0.378SS*.Hα-helixtrans-64.5-30.9176.7-67.5-29.2000112.6D264 E265 G270D264-N268 PolarHBondContact O-N 3.27Å; D264-N268 PolarHBondContact O-ND2 3.25Å; D264-N268 PolarHBondContact OD2-ND2 3.47Å; E265-N268 PolarHBondContact O-N 3.16Å; N268-G270 VanDerWaalsContact C-N 3.3Å
269K88.2Confident86.1Confident134 Ų13467.3 Ų67.358%0.58337%0.368SS*.THydrogen-bonded Turntrans-80-7.1172.9-72.4179.9173.2177.90114E265 V267 L271E265-K269 HydrophobicContact CG-CD 3.96Å; E265-K269 HydrophobicContact CG-CG 4.42Å; E265-K269 WeakPolarHBondContact O-CB 3.36Å; E265-K269 WeakPolarHBondContact O-CG 3.21Å; E265-K269 PolarHBondContact O-N 3.25Å; E265-K269 WeakPolarHBondContact OE1-CE 3.33Å; E265-K269 IonicContact OE1-NZ 3.71Å; E265-K269 PolarHBondContact OE1-NZ 3.44Å; V267-K269 VanDerWaalsContact C-N 3.26Å; V267-K269 PolarHBondContact O-N 3.13Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 HydrophobicContact CB-CD1 4.39Å; K269-L271 HydrophobicContact CB-CG 4.14Å; K269-L271 PolarHBondContact O-N 3.28Å
270G85Confident86Confident62 Ų6267.1 Ų67.164%0.63937%0.366SS*.THydrogen-bonded Turntrans69.419.2-177.400000114.4P266 V267 N268 V272P266-G270 PolarHBondContact O-N 2.94Å; V267-G270 PolarHBondContact O-N 3.11Å; N268-G270 VanDerWaalsContact C-N 3.3Å; G270-V272 VanDerWaalsContact C-N 3.3Å
271L86.3Confident85.9Confident125 Ų12569.8 Ų69.865%0.65438%0.377SS*.SBendtrans-71.6-29.5176.2-67.2174.4000111.8P266 K269P266-L271 HydrophobicContact CB-CB 4.47Å; P266-L271 PolarHBondContact O-N 3.03Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 HydrophobicContact CB-CD1 4.39Å; K269-L271 HydrophobicContact CB-CG 4.14Å; K269-L271 PolarHBondContact O-N 3.28Å
272V84.5Confident86.1Confident15 Ų1570.9 Ų70.99%0.09138%0.376CS..SBendtrans-135.2137.6-179.7-175.10000108.6G270 D276 Q280 L283G270-V272 VanDerWaalsContact C-N 3.3Å; V272-D276 HydrophobicContact CG1-CB 3.69Å; V272-Q280 HydrophobicContact CB-CG 4.34Å; V272-Q280 HydrophobicContact CG1-CG 3.81Å; V272-L283 HydrophobicContact CG2-CD1 3.46Å; V272-L283 VanDerWaalsContact CG2-CD1 3.46Å
273A83.8Confident86.3Confident56 Ų5672.7 Ų72.746%0.46338%0.38SS..  trans-61.9147.517400000110.3D275 D276 Q280A273-D275 PolarHBondContact O-N 3.39Å; A273-D275 VanDerWaalsContact O-N 3.09Å; A273-D276 HydrophobicContact CB-CB 4.26Å; A273-D276 PolarHBondContact O-N 3.47Å; A273-D276 VanDerWaalsContact O-N 3.09Å; A273-Q280 PolarHBondContact O-NE2 3.33Å
274P80.9Confident86.3Confident63 Ų6372.7 Ų72.741%0.40938%0.382SS..THydrogen-bonded Turntrans-59.4-25.2178.924.7-34.5000112.9V267 Q280V267-P274 HydrophobicContact CG1-CB 4.21Å; P274-Q280 PolarHBondContact O-NE2 3.49Å; P274-Q280 VanDerWaalsContact O-NE2 3.08Å
275D83.8Confident86.4Confident131 Ų13173.6 Ų73.670%0.70139%0.385SS*.THydrogen-bonded Turntrans-90.6-13.1-179.5-60.3-37.4000114.2A273 E277A273-D275 PolarHBondContact O-N 3.39Å; A273-D275 VanDerWaalsContact O-N 3.09Å; D275-E277 PolarHBondContact O-N 3.13Å
276D87Confident86.4Confident71 Ų7172.9 Ų72.938%0.3839%0.389SS..  trans-81.489.5179.9179.515.8000110.9V272 A273 W278 G279 Q280V272-D276 HydrophobicContact CG1-CB 3.69Å; A273-D276 HydrophobicContact CB-CB 4.26Å; A273-D276 PolarHBondContact O-N 3.47Å; A273-D276 VanDerWaalsContact O-N 3.09Å; D276-W278 VanDerWaalsContact C-N 3.34Å; D276-W278 PolarHBondContact O-N 3.26Å; D276-W278 PolarHBondContact OD1-N 3.49Å; D276-G279 PolarHBondContact OD1-N 2.97Å; D276-G279 WeakPolarHBondContact OD2-CA 3.22Å; D276-Q280 WeakPolarHBondContact O-CG 3.37Å; D276-Q280 PolarHBondContact O-N 2.86Å
277E86Confident86.3Confident108 Ų10878.9 Ų78.951%0.50541%0.409SS..Hα-helixtrans-60.8-41.5179.5-56-172.5168.100112.3R233 D275 W281R233-E277 VanDerWaalsContact CZ-CG 3.47Å; R233-E277 IonicContact CZ-OE1 3.76Å; R233-E277 IonicContact NE-OE1 3.13Å; R233-E277 PolarHBondContact NE-OE1 2.91Å; R233-E277 IonicContact NH2-OE1 2.99Å; R233-E277 PolarHBondContact NH2-OE1 2.82Å; D275-E277 PolarHBondContact O-N 3.13Å; E277-W281 WeakPolarHBondContact O-CB 3.42Å; E277-W281 PolarHBondContact O-N 3.4Å
278W87.3Confident86.3Confident173 Ų17378.2 Ų78.266%0.65541%0.405SS*.Hα-helixtrans-72.8-40.5-175-176.7-101000111.7D276 W281 K282D276-W278 VanDerWaalsContact C-N 3.34Å; D276-W278 PolarHBondContact O-N 3.26Å; D276-W278 PolarHBondContact OD1-N 3.49Å; W278-W281 HydrophobicContact CE3-CE3 4.31Å; W278-W281 HydrophobicContact CH2-CE3 4.21Å; W278-W281 AromaticContact CH2-CZ3 3.91Å; W278-W281 HydrophobicContact CH2-CZ3 3.91Å; W278-W281 HydrophobicContact CZ2-CE3 4.47Å; W278-W281 HydrophobicContact CZ2-CZ3 4.23Å; W278-W281 HydrophobicContact CZ3-CE3 4.12Å; W278-W281 HydrophobicContact CZ3-CZ3 4.21Å; W278-W281 PolarHBondContact O-N 3.12Å; W278-K282 WeakPolarHBondContact O-CB 3.5Å; W278-K282 PolarHBondContact O-N 3.12Å
279G87.1Confident86.4Confident13 Ų1378.3 Ų78.313%0.13440%0.4CS..Hα-helixtrans-59-46.5174.800000112.3D276 K282 L283D276-G279 PolarHBondContact OD1-N 2.97Å; D276-G279 WeakPolarHBondContact OD2-CA 3.22Å; G279-K282 PolarHBondContact O-N 3.15Å; G279-L283 WeakPolarHBondContact O-CG 3.32Å; G279-L283 PolarHBondContact O-N 2.69Å; G279-L283 VanDerWaalsContact O-N 3.16Å
280Q86.5Confident86.3Confident4 Ų477.8 Ų77.82%0.01940%0.398CS..Hα-helixtrans-64.6-44.8177.6-67.6173.733.100111.3Y263 V267 V272 A273 P274 D276 K282 L283 A284Y263-Q280 HydrophobicContact CE2-CB 4.2Å; Y263-Q280 WeakPolarHBondContact OH-CB 3.39Å; Y263-Q280 PolarHBondContact OH-OE1 3.43Å; V267-Q280 HydrophobicContact CG2-CG 3.99Å; V272-Q280 HydrophobicContact CB-CG 4.34Å; V272-Q280 HydrophobicContact CG1-CG 3.81Å; A273-Q280 PolarHBondContact O-NE2 3.33Å; P274-Q280 PolarHBondContact O-NE2 3.49Å; P274-Q280 VanDerWaalsContact O-NE2 3.08Å; D276-Q280 WeakPolarHBondContact O-CG 3.37Å; D276-Q280 PolarHBondContact O-N 2.86Å; Q280-K282 PolarHBondContact O-N 3.46Å; Q280-L283 PolarHBondContact O-N 2.85Å; Q280-A284 VanDerWaalsContact O-CB 3.24Å; Q280-A284 WeakPolarHBondContact O-CB 3.38Å; Q280-A284 PolarHBondContact O-N 2.62Å
281W88Confident86.3Confident78 Ų7875.9 Ų75.930%0.29538%0.375SS..Hα-helixtrans-57.1-48.6177.2-179.593.5000112.3L237 E277 W278 L283 A284 Q285L237-W281 HydrophobicContact CD1-CG 4.18Å; L237-W281 HydrophobicContact CD2-CG 4.48Å; E277-W281 WeakPolarHBondContact O-CB 3.42Å; E277-W281 PolarHBondContact O-N 3.4Å; W278-W281 HydrophobicContact CE3-CE3 4.31Å; W278-W281 HydrophobicContact CH2-CE3 4.21Å; W278-W281 AromaticContact CH2-CZ3 3.91Å; W278-W281 HydrophobicContact CH2-CZ3 3.91Å; W278-W281 HydrophobicContact CZ2-CE3 4.47Å; W278-W281 HydrophobicContact CZ2-CZ3 4.23Å; W278-W281 HydrophobicContact CZ3-CE3 4.12Å; W278-W281 HydrophobicContact CZ3-CZ3 4.21Å; W278-W281 PolarHBondContact O-N 3.12Å; W281-L283 PolarHBondContact O-N 3.38Å; W281-A284 PolarHBondContact O-N 2.87Å; W281-Q285 VanDerWaalsContact CH2-OE1 3.26Å; W281-Q285 WeakPolarHBondContact O-CB 3.34Å; W281-Q285 PolarHBondContact O-N 3.44Å
282K89.2Confident86.3Confident138 Ų13872 Ų7260%0.636%0.355SS*.Hα-helixtrans-65.7-38-176.5-172.2177.4-180-177.50112.4W278 G279 Q280 P286W278-K282 WeakPolarHBondContact O-CB 3.5Å; W278-K282 PolarHBondContact O-N 3.12Å; G279-K282 PolarHBondContact O-N 3.15Å; Q280-K282 PolarHBondContact O-N 3.46Å; K282-P286 WeakPolarHBondContact O-CD 3.22Å
283L88Confident86.2Confident74 Ų7475.5 Ų75.539%0.38738%0.38SS..Hα-helixtrans-72.8-38.2176.5-71.2178.6000112.2P266 V272 G279 Q280 W281 P286 Y287P266-L283 HydrophobicContact CB-CD1 3.99Å; P266-L283 HydrophobicContact CG-CD1 4.36Å; V272-L283 HydrophobicContact CG2-CD1 3.46Å; V272-L283 VanDerWaalsContact CG2-CD1 3.46Å; G279-L283 WeakPolarHBondContact O-CG 3.32Å; G279-L283 PolarHBondContact O-N 2.69Å; G279-L283 VanDerWaalsContact O-N 3.16Å; Q280-L283 PolarHBondContact O-N 2.85Å; W281-L283 PolarHBondContact O-N 3.38Å; L283-P286 WeakPolarHBondContact O-CD 3.48Å; L283-P286 WeakPolarHBondContact O-CG 3.45Å; L283-Y287 VanDerWaalsContact O-CD2 3.31Å; L283-Y287 WeakPolarHBondContact O-CD2 3.41Å
284A87.5Confident86.1Confident10 Ų1076 Ų768%0.08338%0.377CS..Hα-helixtrans-76.5-33.7-176.500000113.9L237 Y263 Q280 W281 Y287 L288L237-A284 HydrophobicContact CD2-CB 3.8Å; Y263-A284 HydrophobicContact CD2-CB 3.45Å; Y263-A284 VanDerWaalsContact CD2-CB 3.45Å; Y263-A284 HydrophobicContact CE2-CB 3.81Å; Q280-A284 VanDerWaalsContact O-CB 3.24Å; Q280-A284 WeakPolarHBondContact O-CB 3.38Å; Q280-A284 PolarHBondContact O-N 2.62Å; W281-A284 PolarHBondContact O-N 2.87Å; A284-Y287 PolarHBondContact O-N 3.32Å; A284-Y287 VanDerWaalsContact O-N 3.14Å; A284-L288 PolarHBondContact O-N 3.03Å
285Q87.9Confident85.9Confident47 Ų4774 Ų7422%0.2236%0.363CS..Hα-helixtrans-51-47.9-176.6-166.8-173.419.600115.1W281 Y287 L288 K289W281-Q285 VanDerWaalsContact CH2-OE1 3.26Å; W281-Q285 WeakPolarHBondContact O-CB 3.34Å; W281-Q285 PolarHBondContact O-N 3.44Å; Q285-Y287 PolarHBondContact O-N 3.19Å; Q285-L288 PolarHBondContact O-N 3.31Å; Q285-K289 HydrophobicContact CG-CD 4.49Å; Q285-K289 WeakPolarHBondContact O-CG 3.25Å; Q285-K289 PolarHBondContact O-N 3.08Å
286P87.8Confident85.9Confident73 Ų7373.9 Ų73.947%0.47435%0.353SS..Hα-helixtrans-65-36.5179.224.7-35000113.1K282 L283 K289 K290K282-P286 WeakPolarHBondContact O-CD 3.22Å; L283-P286 WeakPolarHBondContact O-CD 3.48Å; L283-P286 WeakPolarHBondContact O-CG 3.45Å; P286-K289 PolarHBondContact O-N 3.04Å; P286-K290 PolarHBondContact O-N 2.65Å
287Y85.3Confident85.4Confident146 Ų14676 Ų7657%0.57336%0.364SS*.Hα-helixtrans-65.4-45.3176.1-71.3-85.4000110.9L283 A284 Q285 K289 K290 S291L283-Y287 VanDerWaalsContact O-CD2 3.31Å; L283-Y287 WeakPolarHBondContact O-CD2 3.41Å; A284-Y287 PolarHBondContact O-N 3.32Å; A284-Y287 VanDerWaalsContact O-N 3.14Å; Q285-Y287 PolarHBondContact O-N 3.19Å; Y287-K289 VanDerWaalsContact C-N 3.35Å; Y287-K289 PolarHBondContact O-N 3.16Å; Y287-K290 WeakPolarHBondContact O-CB 3.32Å; Y287-K290 PolarHBondContact O-N 3.17Å; Y287-K290 VanDerWaalsContact O-N 3.16Å; Y287-S291 PolarHBondContact O-N 3.47Å; Y287-S291 PolarHBondContact O-OG 2.92Å
288L87.1Confident84.7Confident3 Ų379.3 Ų79.32%0.01637%0.372CS..Hα-helixtrans-61.1-41.6175.9-69.4176000112.4F234 L237 L238 V241 N259 A284 Q285 K290 S291 L292F234-L288 HydrophobicContact CE2-CD2 4.43Å; L237-L288 HydrophobicContact CD1-CD1 4.28Å; L237-L288 HydrophobicContact CD2-CD1 3.92Å; L237-L288 HydrophobicContact CG-CD1 3.67Å; L238-L288 HydrophobicContact CD1-CD2 3.88Å; V241-L288 HydrophobicContact CG1-CB 4.38Å; N259-L288 HydrophobicContact CB-CD2 3.62Å; A284-L288 PolarHBondContact O-N 3.03Å; Q285-L288 PolarHBondContact O-N 3.31Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.06Å; L288-S291 PolarHBondContact O-N 2.62Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 3.29Å
289K87.3Confident83.4Confident120 Ų12076.9 Ų76.952%0.52237%0.368SS..Hα-helixtrans-63.3-38.5175.1-75.9-178178.2178.20112.3V241 Q285 P286 Y287 L292 S293V241-K289 HydrophobicContact CG1-CG 4.35Å; Q285-K289 HydrophobicContact CG-CD 4.49Å; Q285-K289 WeakPolarHBondContact O-CG 3.25Å; Q285-K289 PolarHBondContact O-N 3.08Å; P286-K289 PolarHBondContact O-N 3.04Å; Y287-K289 VanDerWaalsContact C-N 3.35Å; Y287-K289 PolarHBondContact O-N 3.16Å; K289-L292 PolarHBondContact O-N 3.33Å; K289-S293 PolarHBondContact O-N 3.47Å
290K86.4Confident81.6Confident123 Ų12386.7 Ų86.754%0.53540%0.402SS..Hα-helixtrans-63.6-47.6174-172.3-179.6-179.7-177.90110.7P286 Y287 L288 L292 S293P286-K290 PolarHBondContact O-N 2.65Å; Y287-K290 WeakPolarHBondContact O-CB 3.32Å; Y287-K290 PolarHBondContact O-N 3.17Å; Y287-K290 VanDerWaalsContact O-N 3.16Å; L288-K290 VanDerWaalsContact C-N 3.34Å; L288-K290 PolarHBondContact O-N 3.06Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 3.17Å; K290-S293 WeakPolarHBondContact O-CB 3.38Å; K290-S293 PolarHBondContact O-N 2.9Å; K290-S293 VanDerWaalsContact O-N 3.12Å; K290-S293 PolarHBondContact O-OG 2.94Å
291S84.8Confident79.7Confident23 Ų2389.4 Ų89.416%0.16143%0.426CS..Hα-helixtrans-62.6-31.3177.6-59.90000112.8N259 Y287 L288 T294 L295N259-S291 PolarHBondContact OD1-OG 3.19Å; Y287-S291 PolarHBondContact O-N 3.47Å; Y287-S291 PolarHBondContact O-OG 2.92Å; L288-S291 PolarHBondContact O-N 2.62Å; S291-T294 CarbonylContact O-C 3.56Å; S291-T294 PolarHBondContact O-N 2.98Å; S291-T294 PolarHBondContact O-OG1 3.01Å; S291-L295 PolarHBondContact O-N 2.97Å
292L85.6Confident77.7Confident43 Ų4393.6 Ų93.623%0.22545%0.454CS..Hα-helixtrans-66-36.7174.4-170.5158.6000112.1V241 V245 L288 K289 K290 T294 L295V241-L292 HydrophobicContact CG1-CD1 4.23Å; V245-L292 HydrophobicContact CB-CD1 4.29Å; V245-L292 HydrophobicContact CB-CD2 4.48Å; V245-L292 HydrophobicContact CG1-CD2 4.14Å; V245-L292 HydrophobicContact CG2-CD1 4.02Å; V245-L292 HydrophobicContact CG2-CD2 4.23Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 3.29Å; K289-L292 PolarHBondContact O-N 3.33Å; K290-L292 VanDerWaalsContact C-N 3.26Å; K290-L292 PolarHBondContact O-N 3.17Å; L292-T294 PolarHBondContact O-N 3.5Å; L292-L295 HydrophobicContact CG-CD1 4.34Å; L292-L295 WeakPolarHBondContact O-CB 3.47Å; L292-L295 PolarHBondContact O-N 3.5Å; L292-L295 VanDerWaalsContact O-N 3.11Å
293S82.7Confident75.3Confident89 Ų8990.7 Ų90.762%0.62245%0.451SS*.Hα-helixtrans-65.5-23.3176.873.90000113.4K289 K290K289-S293 PolarHBondContact O-N 3.47Å; K290-S293 WeakPolarHBondContact O-CB 3.38Å; K290-S293 PolarHBondContact O-N 2.9Å; K290-S293 VanDerWaalsContact O-N 3.12Å; K290-S293 PolarHBondContact O-OG 2.94Å
294T82.5Confident72.8Confident65 Ų6592.7 Ų92.740%0.39946%0.462SS..THydrogen-bonded Turntrans-102.914.1176.655.70000112.4S291 L292 L297S291-T294 CarbonylContact O-C 3.56Å; S291-T294 PolarHBondContact O-N 2.98Å; S291-T294 PolarHBondContact O-OG1 3.01Å; L292-T294 PolarHBondContact O-N 3.5Å; T294-L297 CarbonylContact O-C 3.56Å; T294-L297 WeakPolarHBondContact O-CB 3.07Å; T294-L297 PolarHBondContact O-N 3.12Å; T294-L297 VanDerWaalsContact O-N 3.12Å; T294-L297 VanDerWaalsContact O-O 3.1Å
295L76.8Confident70.8Confident22 Ų2299.2 Ų99.212%0.11550%0.495CS..THydrogen-bonded Turntrans-64138.8-177.9-162.3158000110.3C246 L255 S291 L292 L297C246-L295 HydrophobicContact CB-CD1 3.78Å; C246-L295 HydrophobicContact CB-CD2 4.15Å; L255-L295 HydrophobicContact CD1-CD1 3.65Å; L255-L295 HydrophobicContact CD1-CG 4.03Å; S291-L295 PolarHBondContact O-N 2.97Å; L292-L295 HydrophobicContact CG-CD1 4.34Å; L292-L295 WeakPolarHBondContact O-CB 3.47Å; L292-L295 PolarHBondContact O-N 3.5Å; L292-L295 VanDerWaalsContact O-N 3.11Å; L295-L297 PolarHBondContact O-N 3.45Å
296Y82.1Confident68.4Low128 Ų128105.1 Ų105.150%0.50253%0.528SS..THydrogen-bonded Turntrans66.5-21.8-167.4-58.5-74.9000116.2E251 R298E251-Y296 HydrophobicContact CB-CE1 4.45Å; E251-Y296 HydrophobicContact CG-CD1 3.81Å; E251-Y296 HydrophobicContact CG-CE1 3.5Å; E251-Y296 VanDerWaalsContact CG-CE1 3.5Å; Y296-R298 VanDerWaalsContact C-N 3.28Å; Y296-R298 PolarHBondContact O-N 3.1Å
297L78.5Confident65.9Low117 Ų117105.8 Ų105.861%0.61353%0.534SS*.  trans-77.187.8169.5-58.6175.3000107.1T294 L295 H299T294-L297 CarbonylContact O-C 3.56Å; T294-L297 WeakPolarHBondContact O-CB 3.07Å; T294-L297 PolarHBondContact O-N 3.12Å; T294-L297 VanDerWaalsContact O-N 3.12Å; T294-L297 VanDerWaalsContact O-O 3.1Å; L295-L297 PolarHBondContact O-N 3.45Å; L297-H299 PolarHBondContact O-N 2.74Å
298R70Confident63.5Low176 Ų176104.4 Ų104.466%0.66454%0.536SS*.  trans-66.172.5169.2-63.9-176.7-174.7179.71.5108.6E251 Y296 Y300E251-R298 IonicContact OE1-CZ 2.69Å; E251-R298 IonicContact OE1-NE 2.75Å; E251-R298 IonicContact OE1-NH2 3.98Å; E251-R298 PolarHBondContact OE1-NH2 2.85Å; Y296-R298 VanDerWaalsContact C-N 3.28Å; Y296-R298 PolarHBondContact O-N 3.1Å; R298-Y300 PolarHBondContact O-N 3.44Å
299H59.8Low61Low123 Ų123106.8 Ų106.857%0.56955%0.553SS**  trans-53.6133.4162.3-118.871.2000105.6L297 A301L297-H299 PolarHBondContact O-N 2.74Å; H299-A301 PolarHBondContact O-N 3.13Å
300Y49.8Very low58.7Low219 Ų219106.2 Ų106.286%0.85956%0.564SS**  trans-59.182.7178.4-69.9-91.2000109.1R298 N302R298-Y300 PolarHBondContact O-N 3.44Å; Y300-N302 PolarHBondContact O-N 3.44Å; Y300-N302 VanDerWaalsContact O-N 3.09Å
301A47.2Very low56.5Low61 Ų61108.9 Ų108.950%0.50458%0.576SS.*THydrogen-bonded Turntrans-74.95.1-175.100000112H299H299-A301 PolarHBondContact O-N 3.13Å
302N44.6Very low54.2Low165 Ų165109.8 Ų109.888%0.88258%0.579SS**THydrogen-bonded Turntrans-99.510.1-178.2-72.9-0.2000114.2Y300Y300-N302 PolarHBondContact O-N 3.44Å; Y300-N302 VanDerWaalsContact O-N 3.09Å
303S39.5Very low52.1Low78 Ų78111.9 Ų111.955%0.54560%0.602SS.*SBendtrans-152.1111.9166.851.90000112.7
304N35.2Very low50.2Low116 Ų116110.6 Ų110.662%0.6260%0.603SS**  trans74.832153.5-48.8-27.8000119.2D306 S307 L308N304-D306 PolarHBondContact O-N 3.45Å; N304-S307 PolarHBondContact O-N 3.35Å; N304-L308 PolarHBondContact O-N 3.02Å
305L45.1Very low48.2Very low147 Ų147116.3 Ų116.377%0.7762%0.617SS**THydrogen-bonded Turntrans-68.4-13.7170.7-154.674.2000113.4
306D37.7Very low47Very low171 Ų171122.2 Ų122.291%0.91464%0.644SS**THydrogen-bonded Turntrans-90.5-6.3179.2-68.9-21.1000114.6N304N304-D306 PolarHBondContact O-N 3.45Å
307S34.9Very low45.7Very low86 Ų86119.1 Ų119.160%0.60164%0.637SS**THydrogen-bonded Turntrans-127.8-7-178.255.60000115.8N304N304-S307 PolarHBondContact O-N 3.35Å
308L35Very low44.9Very low117 Ų117120.6 Ų120.661%0.61364%0.639SS**SBendtrans-120.854.9176.1-10885.5000113.9N304N304-L308 PolarHBondContact O-N 3.02Å
309S35.2Very low45.1Very low53 Ų53115.6 Ų115.637%0.37163%0.625SS.*  trans56.8121.5145.5720000117.9K311 N312S309-K311 PolarHBondContact O-N 2.98Å; S309-N312 PolarHBondContact O-N 3.27Å; S309-N312 PolarHBondContact OG-N 3.39Å; S309-N312 PolarHBondContact OG-ND2 3.29Å; S309-N312 VanDerWaalsContact OG-ND2 3.1Å
310S40.2Very low46.1Very low109 Ų109118.2 Ų118.276%0.76264%0.637SS**THydrogen-bonded Turntrans-58.914.6153.8-700000113.9
311K39.5Very low47.7Very low178 Ų178109.2 Ų109.277%0.77460%0.603SS**THydrogen-bonded Turntrans-101.1-13.5169.5-64.8-176176.1-179.80113.2S309S309-K311 PolarHBondContact O-N 2.98Å
312N36.8Very low49.6Very low42 Ų42110.3 Ų110.323%0.22561%0.605CS.*SBendtrans-99-14-173.8-76.6-13.7000115.2S309 G314 R315S309-N312 PolarHBondContact O-N 3.27Å; S309-N312 PolarHBondContact OG-N 3.39Å; S309-N312 PolarHBondContact OG-ND2 3.29Å; S309-N312 VanDerWaalsContact OG-ND2 3.1Å; N312-G314 PolarHBondContact O-N 3.13Å; N312-R315 PolarHBondContact O-N 3.23Å; N312-R315 WeakPolarHBondContact OD1-CD 3.34Å
313A41.3Very low51.6Low87 Ų87106.7 Ų106.772%0.71958%0.58SS**THydrogen-bonded Turntrans-62.8-29.2173.500000112.3
314G42Very low53.8Low63 Ų63105.1 Ų105.165%0.64957%0.565SS**THydrogen-bonded Turntrans-83.3-10171.500000115N312N312-G314 PolarHBondContact O-N 3.13Å
315R41.6Very low56.4Low184 Ų184100 Ų10069%0.69454%0.539SS*.G310 helixtrans-89-10.6179.7-95.4176.6162.9175-6.2114.1N312 N317 F318N312-R315 PolarHBondContact O-N 3.23Å; N312-R315 WeakPolarHBondContact OD1-CD 3.34Å; R315-N317 PolarHBondContact O-N 3.4Å; R315-N317 VanDerWaalsContact O-N 3.16Å; R315-F318 PolarHBondContact O-N 3.2Å
316Q50.3Low58.6Low146 Ų14695.7 Ų95.768%0.68251%0.512SS*.G310 helixtrans-67-11.8175.7-65.4-154.96.600113.5F318Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 PolarHBondContact O-N 3.43Å
317N55.1Low61.1Low63 Ų6387.7 Ų87.734%0.33747%0.469SS..G310 helixtrans-85.36.8175.4-66.9-4.6000113.7R315 L319 I463R315-N317 PolarHBondContact O-N 3.4Å; R315-N317 VanDerWaalsContact O-N 3.16Å; N317-L319 PolarHBondContact O-N 2.91Å; N317-I463 HydrophobicContact CB-CG1 4.3Å
318F62.3Low63.7Low149 Ų14983.6 Ų83.665%0.65444%0.44SS*.  trans-87.390.9176.7-163-94.8000110.5R315 Q316 E320R315-F318 PolarHBondContact O-N 3.2Å; Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 PolarHBondContact O-N 3.43Å; F318-E320 HydrophobicContact CE1-CB 4.34Å; F318-E320 PolarHBondContact O-N 3Å
319L73.4Confident66.5Low71 Ų7178.2 Ų78.237%0.37241%0.412SS..  trans-82.2107.7169.5-68.1171000108.9N317 L321 L416 I463N317-L319 PolarHBondContact O-N 2.91Å; L319-L321 HydrophobicContact CB-CD1 4.21Å; L319-L321 HydrophobicContact CB-CG 4.13Å; L319-L321 PolarHBondContact O-N 3.39Å; L319-L416 HydrophobicContact CD1-CD2 3.97Å; L319-I463 HydrophobicContact CD1-CG2 4.06Å
320E80.8Confident69.1Low178 Ų17875.8 Ų75.883%0.83240%0.395SS*.  trans-72.999.3172.4-168.6174.9-177.100109.2F318F318-E320 HydrophobicContact CE1-CB 4.34Å; F318-E320 PolarHBondContact O-N 3Å
321L84.4Confident71.6Confident29 Ų2970.6 Ų70.615%0.15236%0.359CS..  trans-112.8146.1-178.4-68.7170.4000110.8L319 T325 R326 L329 L416 I467L319-L321 HydrophobicContact CB-CD1 4.21Å; L319-L321 HydrophobicContact CB-CG 4.13Å; L319-L321 PolarHBondContact O-N 3.39Å; L321-T325 HydrophobicContact CB-CG2 4.47Å; L321-T325 HydrophobicContact CD2-CG2 4.26Å; L321-R326 HydrophobicContact CB-CG 3.73Å; L321-R326 PolarHBondContact O-NE 3.44Å; L321-L329 HydrophobicContact CD1-CD2 3.62Å; L321-L416 HydrophobicContact CD2-CD1 4.3Å; L321-I467 HydrophobicContact CD1-CD1 4.11Å
322P87.3Confident74.1Confident84 Ų8462.1 Ų62.155%0.54532%0.322SS..  trans-52.5146170.9-23.632.3000111.3L324 T325 R326P322-L324 PolarHBondContact O-N 3.44Å; P322-T325 WeakPolarHBondContact O-CA 3.48Å; P322-T325 VanDerWaalsContact O-CB 3.3Å; P322-T325 WeakPolarHBondContact O-CB 3.33Å; P322-T325 PolarHBondContact O-N 3.2Å; P322-R326 PolarHBondContact O-N 3.16Å
323Y85.3Confident76.8Confident89 Ų8960.2 Ų60.235%0.34931%0.312SS..Hα-helixtrans-55.7-45.2-171.6-170.4-98.8000113.5T325 R326 F327 F395 V471Y323-T325 VanDerWaalsContact C-N 3.33Å; Y323-T325 PolarHBondContact O-N 3.28Å; Y323-R326 WeakPolarHBondContact O-CB 3.14Å; Y323-R326 PolarHBondContact O-N 3.45Å; Y323-F327 HydrophobicContact CD1-CD2 4.31Å; Y323-F327 HydrophobicContact CD1-CE2 4.14Å; Y323-F327 HydrophobicContact CE1-CD2 4.05Å; Y323-F327 AromaticContact CE1-CE2 3.44Å; Y323-F327 HydrophobicContact CE1-CE2 3.44Å; Y323-F327 VanDerWaalsContact CE1-CE2 3.44Å; Y323-F327 HydrophobicContact CE2-CE2 4.47Å; Y323-F327 AromaticContact CZ-CE2 3.63Å; Y323-F327 PolarHBondContact O-N 3.38Å; Y323-F395 HydrophobicContact CD1-CE2 4.15Å; Y323-F395 AromaticContact CD1-CZ 3.63Å; Y323-F395 HydrophobicContact CD1-CZ 3.63Å; Y323-F395 AromaticContact CE1-CE2 3.67Å; Y323-F395 HydrophobicContact CE1-CE2 3.67Å; Y323-F395 AromaticContact CE1-CZ 3.37Å; Y323-F395 HydrophobicContact CE1-CZ 3.37Å; Y323-V471 HydrophobicContact CE2-CG1 3.9Å
324L87.1Confident79.1Confident45 Ų4556.1 Ų56.124%0.23628%0.278CS..Hα-helixtrans-64.1-38.1175.5-69.5173.6000112.5P322 R326 F327 L328 F395 P399P322-L324 PolarHBondContact O-N 3.44Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3.09Å; L324-F327 PolarHBondContact O-N 3.32Å; L324-L328 WeakPolarHBondContact O-CB 3.27Å; L324-L328 PolarHBondContact O-N 3.48Å; L324-F395 HydrophobicContact CD2-CE2 4.26Å; L324-F395 HydrophobicContact CD2-CZ 4.27Å; L324-P399 HydrophobicContact CD1-CB 4.45Å; L324-P399 HydrophobicContact CD2-CG 4.48Å
325T89.3Confident81.4Confident10 Ų1053.1 Ų53.16%0.06125%0.247CC..Hα-helixtrans-64.8-34178.4-53.20000111.4L321 P322 Y323 L328 L329 L411L321-T325 HydrophobicContact CB-CG2 4.47Å; L321-T325 HydrophobicContact CD2-CG2 4.26Å; P322-T325 WeakPolarHBondContact O-CA 3.48Å; P322-T325 VanDerWaalsContact O-CB 3.3Å; P322-T325 WeakPolarHBondContact O-CB 3.33Å; P322-T325 PolarHBondContact O-N 3.2Å; Y323-T325 VanDerWaalsContact C-N 3.33Å; Y323-T325 PolarHBondContact O-N 3.28Å; T325-L328 PolarHBondContact O-N 3.15Å; T325-L329 VanDerWaalsContact O-CB 3.3Å; T325-L329 WeakPolarHBondContact O-CB 3.32Å; T325-L329 PolarHBondContact O-N 3.05Å; T325-L411 HydrophobicContact CG2-CD1 4.05Å; T325-L411 HydrophobicContact CG2-CD2 3.54Å; T325-L411 HydrophobicContact CG2-CG 3.91Å
326R90.3Very high83.7Confident55 Ų5544.4 Ų44.421%0.20821%0.214CC..Hα-helixtrans-61.1-49173.8-68.8-173.6-101.6158.7-1.9111.9L321 P322 Y323 L324 L328 L329 I330 I467 S470 V471L321-R326 HydrophobicContact CB-CG 3.73Å; L321-R326 PolarHBondContact O-NE 3.44Å; P322-R326 PolarHBondContact O-N 3.16Å; Y323-R326 WeakPolarHBondContact O-CB 3.14Å; Y323-R326 PolarHBondContact O-N 3.45Å; L324-R326 VanDerWaalsContact C-N 3.28Å; L324-R326 PolarHBondContact O-N 3.09Å; R326-L328 PolarHBondContact O-N 3.1Å; R326-L329 PolarHBondContact O-N 2.6Å; R326-I330 VanDerWaalsContact O-CG1 3.3Å; R326-I330 WeakPolarHBondContact O-CG1 3.24Å; R326-I330 PolarHBondContact O-N 3.46Å; R326-I467 HydrophobicContact CB-CG2 3.7Å; R326-I467 HydrophobicContact CG-CG2 3.88Å; R326-S470 VanDerWaalsContact CD-OG 3.3Å; R326-S470 WeakPolarHBondContact CD-OG 2.97Å; R326-S470 PolarHBondContact NH1-O 3.42Å; R326-S470 PolarHBondContact NH1-OG 3.49Å; R326-V471 HydrophobicContact CB-CG2 3.84Å; R326-V471 HydrophobicContact CG-CG2 4.48Å
327F90.1Very high85.4Confident3 Ų339.7 Ų39.71%0.01319%0.192CC..Hα-helixtrans-62.3-41.5175-83-70.3000113.3Y323 L324 L329 I330 A331 F387 L390 V391 E394 F395 V471Y323-F327 HydrophobicContact CD1-CD2 4.31Å; Y323-F327 HydrophobicContact CD1-CE2 4.14Å; Y323-F327 HydrophobicContact CE1-CD2 4.05Å; Y323-F327 AromaticContact CE1-CE2 3.44Å; Y323-F327 HydrophobicContact CE1-CE2 3.44Å; Y323-F327 VanDerWaalsContact CE1-CE2 3.44Å; Y323-F327 HydrophobicContact CE2-CE2 4.47Å; Y323-F327 AromaticContact CZ-CE2 3.63Å; Y323-F327 PolarHBondContact O-N 3.38Å; L324-F327 PolarHBondContact O-N 3.32Å; F327-L329 PolarHBondContact O-N 2.91Å; F327-I330 PolarHBondContact O-N 2.81Å; F327-A331 WeakPolarHBondContact O-CB 3.43Å; F327-A331 PolarHBondContact O-N 3.32Å; F327-F387 HydrophobicContact CB-CD2 4.29Å; F327-F387 HydrophobicContact CB-CE2 3.92Å; F327-L390 HydrophobicContact CD1-CB 4.33Å; F327-V391 HydrophobicContact CB-CG2 4.32Å; F327-V391 HydrophobicContact CG-CG2 4.5Å; F327-E394 HydrophobicContact CE1-CG 4.39Å; F327-E394 HydrophobicContact CZ-CB 4.49Å; F327-E394 HydrophobicContact CZ-CG 3.78Å; F327-F395 HydrophobicContact CE2-CE2 4.28Å; F327-V471 HydrophobicContact CD1-CG1 4.43Å; F327-V471 HydrophobicContact CD2-CG1 3.98Å; F327-V471 HydrophobicContact CE1-CG1 3.73Å; F327-V471 HydrophobicContact CE2-CG1 3.22Å; F327-V471 HydrophobicContact CZ-CB 4.44Å; F327-V471 HydrophobicContact CZ-CG1 3.07Å
328L91.3Very high86.9Confident0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-60.2-39.2177.7-174.964.7000111.3L324 T325 R326 A331 A332 L383 F387 Q407 I408 L411L324-L328 WeakPolarHBondContact O-CB 3.27Å; L324-L328 PolarHBondContact O-N 3.48Å; T325-L328 PolarHBondContact O-N 3.15Å; R326-L328 PolarHBondContact O-N 3.1Å; L328-A331 WeakPolarHBondContact O-CB 3.24Å; L328-A331 PolarHBondContact O-N 2.96Å; L328-A332 WeakPolarHBondContact O-CB 3.42Å; L328-A332 PolarHBondContact O-N 2.71Å; L328-L383 HydrophobicContact CD1-CD1 4.24Å; L328-L383 HydrophobicContact CD1-CD2 4.1Å; L328-L383 HydrophobicContact CD1-CG 4.17Å; L328-F387 HydrophobicContact CB-CD2 4.03Å; L328-F387 HydrophobicContact CB-CE2 3.93Å; L328-F387 HydrophobicContact CD1-CB 4.43Å; L328-F387 HydrophobicContact CD1-CD2 3.9Å; L328-F387 HydrophobicContact CD1-CE2 4.29Å; L328-F387 HydrophobicContact CD1-CG 4.11Å; L328-Q407 HydrophobicContact CD2-CB 4.11Å; L328-I408 HydrophobicContact CD1-CG1 4.36Å; L328-I408 HydrophobicContact CD2-CG1 3.77Å; L328-I408 HydrophobicContact CG-CG1 4.49Å; L328-L411 HydrophobicContact CD2-CD1 3.69Å; L328-L411 HydrophobicContact CG-CD1 4.1Å
329L91.9Very high87.9Confident5 Ų530 Ų303%0.02615%0.147CC..Hα-helixtrans-73.1-38.8179.8-158.362.8000112.7L321 T325 R326 F327 A331 A332 F333 L411 L416 L417 I459 I467L321-L329 HydrophobicContact CD1-CD2 3.62Å; T325-L329 VanDerWaalsContact O-CB 3.3Å; T325-L329 WeakPolarHBondContact O-CB 3.32Å; T325-L329 PolarHBondContact O-N 3.05Å; R326-L329 PolarHBondContact O-N 2.6Å; F327-L329 PolarHBondContact O-N 2.91Å; L329-A331 VanDerWaalsContact C-N 3.34Å; L329-A332 PolarHBondContact O-N 3.25Å; L329-F333 WeakPolarHBondContact O-CB 3.48Å; L329-F333 PolarHBondContact O-N 3.45Å; L329-L411 HydrophobicContact CD1-CD1 4.12Å; L329-L411 HydrophobicContact CD1-CD2 4.04Å; L329-L416 HydrophobicContact CD1-CB 4.23Å; L329-L416 HydrophobicContact CD2-CD1 4.46Å; L329-L417 HydrophobicContact CD1-CD2 4.28Å; L329-I459 HydrophobicContact CD1-CD1 3.45Å; L329-I459 VanDerWaalsContact CD1-CD1 3.45Å; L329-I459 HydrophobicContact CD2-CD1 3.08Å; L329-I459 HydrophobicContact CG-CD1 3.32Å; L329-I467 HydrophobicContact CD2-CD1 3.56Å
330I91.4Very high88.4Confident2 Ų234.2 Ų34.21%0.0116%0.158CC..Hα-helixtrans-59.9-46170.3-67.4165.3000110.1R326 F327 A332 F333 M334 L390 I467 A468 F473 L475R326-I330 VanDerWaalsContact O-CG1 3.3Å; R326-I330 WeakPolarHBondContact O-CG1 3.24Å; R326-I330 PolarHBondContact O-N 3.46Å; F327-I330 PolarHBondContact O-N 2.81Å; I330-A332 VanDerWaalsContact C-N 3.34Å; I330-A332 PolarHBondContact O-N 3.39Å; I330-F333 WeakPolarHBondContact O-CB 3.32Å; I330-F333 PolarHBondContact O-N 2.97Å; I330-M334 HydrophobicContact CG2-SD 4.17Å; I330-M334 WeakPolarHBondContact O-CG 3.11Å; I330-M334 PolarHBondContact O-N 3.07Å; I330-L390 HydrophobicContact CG2-CD1 4.2Å; I330-I467 HydrophobicContact CD1-CG2 4.14Å; I330-I467 HydrophobicContact CG1-CG2 4.1Å; I330-A468 HydrophobicContact CD1-CB 4.16Å; I330-F473 HydrophobicContact CD1-CD1 4.46Å; I330-F473 HydrophobicContact CG2-CD1 3.81Å; I330-F473 HydrophobicContact CG2-CE1 3.71Å; I330-L475 HydrophobicContact CG2-CD1 4.16Å
331A91.8Very high88.3Confident0 Ų028.6 Ų28.60%014%0.138CC..Hα-helixtrans-60.1-43.1176.700000111.8F327 L328 L329 M334 A335 L383 I386 F387 L390F327-A331 WeakPolarHBondContact O-CB 3.43Å; F327-A331 PolarHBondContact O-N 3.32Å; L328-A331 WeakPolarHBondContact O-CB 3.24Å; L328-A331 PolarHBondContact O-N 2.96Å; L329-A331 VanDerWaalsContact C-N 3.34Å; A331-M334 PolarHBondContact O-N 2.88Å; A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.26Å; A331-A335 PolarHBondContact O-N 3.3Å; A331-L383 HydrophobicContact CB-CD1 3.95Å; A331-I386 HydrophobicContact CB-CB 4.4Å; A331-I386 HydrophobicContact CB-CG2 3.89Å; A331-F387 HydrophobicContact CB-CB 3.95Å; A331-L390 HydrophobicContact CB-CD1 3.93Å
332A93Very high88Confident0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-64.1-40.6176.400000112.5L328 L329 I330 A335 S336 F378 L383 L417 C457L328-A332 WeakPolarHBondContact O-CB 3.42Å; L328-A332 PolarHBondContact O-N 2.71Å; L329-A332 PolarHBondContact O-N 3.25Å; I330-A332 VanDerWaalsContact C-N 3.34Å; I330-A332 PolarHBondContact O-N 3.39Å; A332-A335 PolarHBondContact O-N 2.91Å; A332-S336 WeakPolarHBondContact O-CB 3.4Å; A332-S336 PolarHBondContact O-N 3.47Å; A332-F378 HydrophobicContact CB-CE1 4.39Å; A332-F378 HydrophobicContact CB-CZ 3.8Å; A332-F378 WeakPolarHBondContact O-CE1 3.47Å; A332-L383 HydrophobicContact CB-CD1 3.71Å; A332-L417 HydrophobicContact CB-CD2 3.7Å; A332-C457 HydrophobicContact CB-CB 4.36Å
333F91.8Very high87.8Confident2 Ų226 Ų261%0.00912%0.12CC..Hα-helixtrans-61.7-49.5174.6-174.6-92.9000111L329 I330 A335 S336 H337 I459 L461 A464 L475 L479L329-F333 WeakPolarHBondContact O-CB 3.48Å; L329-F333 PolarHBondContact O-N 3.45Å; I330-F333 WeakPolarHBondContact O-CB 3.32Å; I330-F333 PolarHBondContact O-N 2.97Å; F333-A335 VanDerWaalsContact C-N 3.34Å; F333-A335 PolarHBondContact O-N 3.22Å; F333-S336 PolarHBondContact O-N 3.26Å; F333-S336 VanDerWaalsContact O-N 3.13Å; F333-H337 AromaticContact CD2-CD2 3.73Å; F333-H337 AromaticContact CD2-NE2 3.87Å; F333-H337 AromaticContact CE1-CD2 3.83Å; F333-H337 AromaticContact CE2-CD2 3.42Å; F333-H337 VanDerWaalsContact CE2-CD2 3.42Å; F333-H337 WeakPolarHBondContact CE2-CD2 3.46Å; F333-H337 AromaticContact CE2-NE2 3.24Å; F333-H337 WeakPolarHBondContact CE2-NE2 3.29Å; F333-H337 AromaticContact CZ-CD2 3.47Å; F333-H337 VanDerWaalsContact CZ-CD2 3.47Å; F333-H337 WeakPolarHBondContact CZ-CD2 3.45Å; F333-H337 AromaticContact CZ-CE1 4Å; F333-H337 AromaticContact CZ-CG 4Å; F333-H337 AromaticContact CZ-NE2 3.51Å; F333-H337 PolarHBondContact O-CD2 2.96Å; F333-H337 PolarHBondContact O-N 2.91Å; F333-I459 WeakPolarHBondContact CE2-O 3.44Å; F333-L461 HydrophobicContact CE1-CD1 3.86Å; F333-L461 HydrophobicContact CZ-CB 4.15Å; F333-L461 HydrophobicContact CZ-CD1 3.71Å; F333-A464 HydrophobicContact CD1-CB 4Å; F333-A464 HydrophobicContact CD2-CB 3.8Å; F333-A464 HydrophobicContact CE1-CB 4.14Å; F333-A464 HydrophobicContact CE2-CB 3.94Å; F333-A464 HydrophobicContact CG-CB 3.83Å; F333-A464 HydrophobicContact CZ-CB 4.12Å; F333-L475 HydrophobicContact CD1-CD1 4.26Å; F333-L475 HydrophobicContact CD1-CD2 4.03Å; F333-L475 HydrophobicContact CE1-CD2 4.11Å; F333-L479 HydrophobicContact CD1-CD2 4.34Å; F333-L479 HydrophobicContact CE1-CD1 3.99Å; F333-L479 HydrophobicContact CE1-CD2 4.03Å
334M89.8Confident87.5Confident1 Ų129.1 Ų29.11%0.00514%0.135CC..Hα-helixtrans-59.7-42.8175.9-70.8177.458.300112.2I330 A331 S336 N338 L346 I386 L390 F473 L475 H478I330-M334 HydrophobicContact CG2-SD 4.17Å; I330-M334 WeakPolarHBondContact O-CG 3.11Å; I330-M334 PolarHBondContact O-N 3.07Å; A331-M334 PolarHBondContact O-N 2.88Å; M334-S336 VanDerWaalsContact C-N 3.25Å; M334-S336 PolarHBondContact O-N 3.38Å; M334-N338 VanDerWaalsContact O-CB 3.22Å; M334-N338 WeakPolarHBondContact O-CB 3.45Å; M334-N338 PolarHBondContact O-N 2.9Å; M334-L346 HydrophobicContact CE-CD1 3.59Å; M334-L346 HydrophobicContact CE-CD2 3.98Å; M334-L346 HydrophobicContact CE-CG 4.44Å; M334-I386 HydrophobicContact CB-CG2 4.43Å; M334-I386 HydrophobicContact CE-CG2 4.45Å; M334-L390 HydrophobicContact SD-CD1 4.12Å; M334-L390 HydrophobicContact SD-CD2 4.44Å; M334-F473 HydrophobicContact SD-CE1 4.12Å; M334-F473 HydrophobicContact SD-CZ 4.22Å; M334-L475 HydrophobicContact CG-CD1 3.74Å; M334-L475 HydrophobicContact SD-CD1 4.19Å; M334-H478 HydrophobicContact CE-CB 3.64Å; M334-H478 HydrophobicContact SD-CB 4.24Å
335A91.1Very high86.8Confident0 Ų034.1 Ų34.10%015%0.151CC..Hα-helixtrans-61.8-34.6177.400000112A331 A332 F333 F378 R382 I386A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.26Å; A331-A335 PolarHBondContact O-N 3.3Å; A332-A335 PolarHBondContact O-N 2.91Å; F333-A335 VanDerWaalsContact C-N 3.34Å; F333-A335 PolarHBondContact O-N 3.22Å; A335-F378 HydrophobicContact CB-CB 3.96Å; A335-F378 HydrophobicContact CB-CD1 3.69Å; A335-F378 HydrophobicContact CB-CD2 4.02Å; A335-F378 HydrophobicContact CB-CE1 4.15Å; A335-F378 HydrophobicContact CB-CE2 4.47Å; A335-F378 HydrophobicContact CB-CG 3.61Å; A335-R382 PolarHBondContact O-NH1 3.24Å; A335-R382 PolarHBondContact O-NH2 2.93Å; A335-I386 HydrophobicContact CB-CD1 3.69Å
336S89.2Confident86Confident0 Ų035.4 Ų35.40%016%0.157CC..Hα-helixtrans-81.2-38.6-177.4-156.90000113.4A332 F333 M334 P375 R376A332-S336 WeakPolarHBondContact O-CB 3.4Å; A332-S336 PolarHBondContact O-N 3.47Å; F333-S336 PolarHBondContact O-N 3.26Å; F333-S336 VanDerWaalsContact O-N 3.13Å; M334-S336 VanDerWaalsContact C-N 3.25Å; M334-S336 PolarHBondContact O-N 3.38Å; S336-P375 WeakPolarHBondContact OG-CA 3.39Å; S336-P375 WeakPolarHBondContact OG-CB 3.46Å; S336-R376 WeakPolarHBondContact CA-O 3.43Å; S336-R376 VanDerWaalsContact O-CB 3.26Å; S336-R376 WeakPolarHBondContact O-CB 3.49Å; S336-R376 PolarHBondContact O-N 3.24Å; S336-R376 VanDerWaalsContact O-N 3.1Å; S336-R376 PolarHBondContact OG-N 3.32Å; S336-R376 VanDerWaalsContact OG-N 3.15Å; S336-R376 PolarHBondContact OG-O 3.15Å
337H86.7Confident85Confident48 Ų4836.6 Ų36.622%0.22217%0.168CC..Hα-helixtrans-86.5-38.9-177.9-77.3-92.2000113.1F333 L479F333-H337 AromaticContact CD2-CD2 3.73Å; F333-H337 AromaticContact CD2-NE2 3.87Å; F333-H337 AromaticContact CE1-CD2 3.83Å; F333-H337 AromaticContact CE2-CD2 3.42Å; F333-H337 VanDerWaalsContact CE2-CD2 3.42Å; F333-H337 WeakPolarHBondContact CE2-CD2 3.46Å; F333-H337 AromaticContact CE2-NE2 3.24Å; F333-H337 WeakPolarHBondContact CE2-NE2 3.29Å; F333-H337 AromaticContact CZ-CD2 3.47Å; F333-H337 VanDerWaalsContact CZ-CD2 3.47Å; F333-H337 WeakPolarHBondContact CZ-CD2 3.45Å; F333-H337 AromaticContact CZ-CE1 4Å; F333-H337 AromaticContact CZ-CG 4Å; F333-H337 AromaticContact CZ-NE2 3.51Å; F333-H337 PolarHBondContact O-CD2 2.96Å; F333-H337 PolarHBondContact O-N 2.91Å; H337-L479 HydrophobicContact CB-CD2 4.27Å
338N86Confident84Confident1 Ų139.7 Ų39.71%0.00519%0.187CC..SBendtrans-80.9138.6-177-70.3-30.1000111.8M334 R382 H478 T480M334-N338 VanDerWaalsContact O-CB 3.22Å; M334-N338 WeakPolarHBondContact O-CB 3.45Å; M334-N338 PolarHBondContact O-N 2.9Å; N338-R382 PolarHBondContact O-NH2 3.3Å; N338-H478 PolarHBondContact ND2-O 3.5Å; N338-T480 PolarHBondContact OD1-N 2.78Å
339P84.2Confident82.5Confident7 Ų747.5 Ų47.55%0.04522%0.221CC..  trans-64.8148.4168.927.5-35.9000111.4S341 L342 Y366 T480P339-S341 PolarHBondContact O-N 3.02Å; P339-L342 HydrophobicContact CG-CD1 3.54Å; P339-L342 HydrophobicContact CG-CG 4.05Å; P339-L342 PolarHBondContact O-N 3.47Å; P339-Y366 HydrophobicContact CB-CE1 4.03Å; P339-Y366 HydrophobicContact CG-CE1 4.35Å; P339-Y366 HydrophobicContact CG-CE2 4.49Å; P339-T480 HydrophobicContact CG-CG2 4.21Å
340R84.1Confident80.4Confident159 Ų15954.7 Ų54.760%0.626%0.259SS*.Hα-helixtrans-56.6-24.1179.2-65.3-177.2-176.5178.40.7113.8L342 D343R340-L342 PolarHBondContact O-N 3.12Å; R340-D343 PolarHBondContact O-N 3.24Å
341S78.3Confident78.5Confident60 Ų6057.8 Ų57.842%0.4228%0.281SS..Hα-helixtrans-61.1-27.5177.2520000112.9P339P339-S341 PolarHBondContact O-N 3.02Å
342L79.1Confident76.3Confident39 Ų3960.9 Ų60.920%0.20431%0.313CS..Hα-helixtrans-90.1-16.8-176.3-65.8167.8000114.3P339 R340 K344 R345 L346 T480P339-L342 HydrophobicContact CG-CD1 3.54Å; P339-L342 HydrophobicContact CG-CG 4.05Å; P339-L342 PolarHBondContact O-N 3.47Å; R340-L342 PolarHBondContact O-N 3.12Å; L342-K344 PolarHBondContact O-N 3.43Å; L342-R345 WeakPolarHBondContact O-CB 3.26Å; L342-R345 PolarHBondContact O-N 3.26Å; L342-L346 PolarHBondContact O-N 3.32Å; L342-T480 HydrophobicContact CD1-CG2 2.84Å; L342-T480 HydrophobicContact CG-CG2 4.26Å
343D81.6Confident74.2Confident19 Ų1973.2 Ų73.210%0.10236%0.359CS..Hα-helixtrans-55.8-36.5175.3-58.1-15.4000109.5R340 R345 L346 L347 R382R340-D343 PolarHBondContact O-N 3.24Å; D343-R345 VanDerWaalsContact C-N 3.29Å; D343-R345 PolarHBondContact O-N 3.17Å; D343-L346 PolarHBondContact O-N 3.09Å; D343-L347 HydrophobicContact CB-CD1 4.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 WeakPolarHBondContact O-CG 3.26Å; D343-L347 PolarHBondContact O-N 3.05Å; D343-R382 IonicContact OD1-CZ 3.99Å; D343-R382 IonicContact OD1-NE 3.83Å; D343-R382 IonicContact OD1-NH2 3.87Å; D343-R382 PolarHBondContact OD1-NH2 3.11Å; D343-R382 IonicContact OD2-CZ 2.69Å; D343-R382 IonicContact OD2-NE 2.57Å; D343-R382 PolarHBondContact OD2-NE 3.44Å; D343-R382 IonicContact OD2-NH2 3.46Å; D343-R382 PolarHBondContact OD2-NH2 3.36Å
344K78.7Confident72.4Confident155 Ų15578.3 Ų78.367%0.67439%0.386SS*.Hα-helixtrans-54.1-43.8174.2-66.5-172.6179.1-175.50112.7L342 T348L342-K344 PolarHBondContact O-N 3.43Å; K344-T348 PolarHBondContact O-N 3.37Å; K344-T348 PolarHBondContact O-OG1 3.39Å
345R74Confident70.5Confident150 Ų15082 Ų8257%0.56641%0.412SS*.Hα-helixtrans-68.8-35.5179.2180-178.4165.4-155.5-9.9111.8L342 D343L342-R345 WeakPolarHBondContact O-CB 3.26Å; L342-R345 PolarHBondContact O-N 3.26Å; D343-R345 VanDerWaalsContact C-N 3.29Å; D343-R345 PolarHBondContact O-N 3.17Å
346L71.2Confident69Low37 Ų3789.1 Ų89.119%0.19445%0.448CS..Hα-helixtrans-71.5-42.7177.2-65.7171.2000111.3M334 L342 D343 V389 H478M334-L346 HydrophobicContact CE-CD1 3.59Å; M334-L346 HydrophobicContact CE-CD2 3.98Å; M334-L346 HydrophobicContact CE-CG 4.44Å; L342-L346 PolarHBondContact O-N 3.32Å; D343-L346 PolarHBondContact O-N 3.09Å; L346-V389 WeakPolarHBondContact O-CG1 3.09Å; L346-H478 HydrophobicContact CD2-CB 4.3Å; L346-H478 WeakPolarHBondContact CD2-ND1 3.32Å
347L69.3Low67.2Low81 Ų8199.3 Ų99.342%0.42449%0.487SS..Hα-helixtrans-76.9-30.9-175-61.8172.6000112.8D343 A385 V389D343-L347 HydrophobicContact CB-CD1 4.31Å; D343-L347 WeakPolarHBondContact O-CB 3.24Å; D343-L347 WeakPolarHBondContact O-CG 3.26Å; D343-L347 PolarHBondContact O-N 3.05Å; L347-A385 HydrophobicContact CD2-CB 4.38Å; L347-V389 HydrophobicContact CD2-CB 4.23Å; L347-V389 HydrophobicContact CD2-CG2 3.37Å
348T68.8Low65.8Low67 Ų67103.5 Ų103.541%0.41151%0.505SS..  trans-101.4109.9178.266.90000111K344 N350 S351K344-T348 PolarHBondContact O-N 3.37Å; K344-T348 PolarHBondContact O-OG1 3.39Å; T348-N350 PolarHBondContact O-N 3.37Å; T348-S351 PolarHBondContact OG1-OG 3.48Å
349K61.5Low64.4Low165 Ų165108.1 Ų108.172%0.71753%0.525SS*.THydrogen-bonded Turntrans-57.4-19.9174.8-71.4-176.7175.7-176.70113.2N393K349-N393 PolarHBondContact NZ-OD1 3.29Å
350N47.9Very low63Low156 Ų156114.5 Ų114.583%0.83455%0.551SS**THydrogen-bonded Turntrans-116.243.8-175-66.4-7000114.1T348 G352T348-N350 PolarHBondContact O-N 3.37Å; N350-G352 PolarHBondContact O-N 3.11Å
351S49.8Very low61.7Low67 Ų67113.9 Ų113.947%0.46956%0.555SS.*  trans-73.7112.7177.6-111.70000112T348T348-S351 PolarHBondContact OG1-OG 3.48Å
352G47.2Very low60.7Low65 Ų65115.2 Ų115.267%0.6756%0.555SS**  trans-55.6154174.300000113.4N350 L354N350-G352 PolarHBondContact O-N 3.11Å; G352-L354 PolarHBondContact O-N 3.17Å
353R47.6Very low59.6Low259 Ų259118 Ų11898%0.97757%0.565SS**  trans-57.3108.2-177.3-73.2178.9174.9173.7-1.7111.3S355R353-S355 PolarHBondContact O-N 2.92Å
354L53.6Low58.2Low108 Ų108122.6 Ų122.657%0.56559%0.586SS**  trans-61.3134.4163.7-73.7168.5000109.8G352 I356G352-L354 PolarHBondContact O-N 3.17Å; L354-I356 PolarHBondContact O-N 3.15Å
355S51.6Low57Low78 Ų78119.3 Ų119.355%0.54558%0.579SS.*  trans-50131.8174.9169.30000111.2R353 R357 K358 K359R353-S355 PolarHBondContact O-N 2.92Å; S355-R357 PolarHBondContact O-N 2.7Å; S355-K358 PolarHBondContact O-N 3.13Å; S355-K358 VanDerWaalsContact O-N 3.11Å; S355-K359 PolarHBondContact O-N 3.1Å
356I58.6Low56.2Low150 Ų150115.6 Ų115.677%0.76957%0.566SS**Hα-helixtrans-52.2-30-176.8-61.1167.9000111.8L354 K360L354-I356 PolarHBondContact O-N 3.15Å; I356-K360 PolarHBondContact O-N 3Å
357R52.5Low55.3Low214 Ų214120.8 Ų120.881%0.80859%0.587SS**Hα-helixtrans-68.2-46.4178.7-79.6-177.1173.4176.1-2113.8S355 K359 K360 Q361S355-R357 PolarHBondContact O-N 2.7Å; R357-K359 VanDerWaalsContact C-N 3.29Å; R357-K359 PolarHBondContact O-N 3.31Å; R357-K360 PolarHBondContact O-N 3.2Å; R357-Q361 PolarHBondContact O-N 3.32Å
358K57.3Low54.6Low137 Ų137121.7 Ų121.760%0.59660%0.596SS**Hα-helixtrans-65.6-36.3178-78.8-171.4173.9-1760111.6S355 K360 E362S355-K358 PolarHBondContact O-N 3.13Å; S355-K358 VanDerWaalsContact O-N 3.11Å; K358-K360 VanDerWaalsContact C-N 3.26Å; K358-K360 PolarHBondContact O-N 3.13Å; K358-E362 PolarHBondContact O-N 3.4Å; K358-E362 VanDerWaalsContact O-N 3.17Å
359K56.2Low54Low98 Ų98123.9 Ų123.943%0.42660%0.601SS.*Hα-helixtrans-62.2-28.8177.3-128.9179-174.2179.30113.4S355 R357 K363S355-K359 PolarHBondContact O-N 3.1Å; R357-K359 VanDerWaalsContact C-N 3.29Å; R357-K359 PolarHBondContact O-N 3.31Å; K359-K363 VanDerWaalsContact O-CB 3.32Å; K359-K363 WeakPolarHBondContact O-CB 3.1Å; K359-K363 VanDerWaalsContact O-CD 3.26Å; K359-K363 WeakPolarHBondContact O-CD 3.26Å; K359-K363 WeakPolarHBondContact O-CG 3.49Å
360K55.3Low53.9Low140 Ų140116.8 Ų116.861%0.60957%0.573SS**Hα-helixtrans-85.5-42.6-178.6-159.8177.8178.6-174.10112.2I356 R357 K358 K363 E364I356-K360 PolarHBondContact O-N 3Å; R357-K360 PolarHBondContact O-N 3.2Å; K358-K360 VanDerWaalsContact C-N 3.26Å; K358-K360 PolarHBondContact O-N 3.13Å; K360-K363 PolarHBondContact O-N 3.03Å; K360-E364 PolarHBondContact O-N 3.41Å; K360-E364 VanDerWaalsContact O-N 3.09Å
361Q55.6Low54.5Low146 Ų146114.8 Ų114.868%0.68256%0.559SS**Hα-helixtrans-66.3-44.1177.8-89.5179.8-20.600113.2R357 K363 E364 V365R357-Q361 PolarHBondContact O-N 3.32Å; Q361-K363 VanDerWaalsContact C-N 3.32Å; Q361-K363 PolarHBondContact O-N 3.35Å; Q361-E364 PolarHBondContact O-N 2.92Å; Q361-V365 PolarHBondContact O-N 2.97Å
362E57Low55.3Low89 Ų89119.9 Ų119.942%0.41657%0.573SS.*Hα-helixtrans-64.1-41.5176-71.1176177.200110.3K358 E364 V365 Y366K358-E362 PolarHBondContact O-N 3.4Å; K358-E362 VanDerWaalsContact O-N 3.17Å; E362-E364 PolarHBondContact O-N 2.92Å; E362-V365 PolarHBondContact O-N 3.38Å; E362-Y366 HydrophobicContact CB-CD2 4.33Å; E362-Y366 HydrophobicContact CB-CE2 4.46Å; E362-Y366 WeakPolarHBondContact O-CB 3.37Å; E362-Y366 WeakPolarHBondContact O-CD2 3.48Å; E362-Y366 PolarHBondContact O-N 3.26Å; E362-Y366 VanDerWaalsContact O-N 3.1Å
363K55.6Low56.6Low96 Ų96121.8 Ų121.842%0.41757%0.571SS.*Hα-helixtrans-61.5-38.8178.3-81.4-178.5178.8-163.30113.9K359 K360 Q361 K367K359-K363 VanDerWaalsContact O-CB 3.32Å; K359-K363 WeakPolarHBondContact O-CB 3.1Å; K359-K363 VanDerWaalsContact O-CD 3.26Å; K359-K363 WeakPolarHBondContact O-CD 3.26Å; K359-K363 WeakPolarHBondContact O-CG 3.49Å; K360-K363 PolarHBondContact O-N 3.03Å; Q361-K363 VanDerWaalsContact C-N 3.32Å; Q361-K363 PolarHBondContact O-N 3.35Å; K363-K367 VanDerWaalsContact O-CB 3.27Å; K363-K367 WeakPolarHBondContact O-CB 3.43Å; K363-K367 WeakPolarHBondContact O-CG 3.34Å; K363-K367 PolarHBondContact O-N 3.35Å; K363-K367 VanDerWaalsContact O-N 3.15Å
364E54.1Low58.2Low116 Ų116111 Ų11154%0.54254%0.541SS..Hα-helixtrans-73-39.4-178.7-78.7177.9-174.200112.6K360 Q361 E362K360-E364 PolarHBondContact O-N 3.41Å; K360-E364 VanDerWaalsContact O-N 3.09Å; Q361-E364 PolarHBondContact O-N 2.92Å; E362-E364 PolarHBondContact O-N 2.92Å
365V53.3Low59.7Low86 Ų86108.1 Ų108.152%0.52153%0.529SS..Hα-helixtrans-71.6-36.2179.3179.20000111.8Q361 E362Q361-V365 PolarHBondContact O-N 2.97Å; E362-V365 PolarHBondContact O-N 3.38Å
366Y55.9Low61.4Low72 Ų72108.8 Ų108.828%0.28252%0.519SS..Hα-helixtrans-77.6-32179.4-77.5-70.8000113.4P339 E362 T368 Q369 A370P339-Y366 HydrophobicContact CB-CE1 4.03Å; P339-Y366 HydrophobicContact CG-CE1 4.35Å; P339-Y366 HydrophobicContact CG-CE2 4.49Å; E362-Y366 HydrophobicContact CB-CD2 4.33Å; E362-Y366 HydrophobicContact CB-CE2 4.46Å; E362-Y366 WeakPolarHBondContact O-CB 3.37Å; E362-Y366 WeakPolarHBondContact O-CD2 3.48Å; E362-Y366 PolarHBondContact O-N 3.26Å; E362-Y366 VanDerWaalsContact O-N 3.1Å; Y366-T368 VanDerWaalsContact C-N 3.28Å; Y366-T368 PolarHBondContact O-N 3.08Å; Y366-Q369 PolarHBondContact O-N 3.38Å; Y366-A370 VanDerWaalsContact O-CB 3.32Å; Y366-A370 WeakPolarHBondContact O-CB 3.43Å; Y366-A370 PolarHBondContact O-N 2.82Å
367K53.3Low62.8Low146 Ų146106 Ų10664%0.63551%0.505SS*.Hα-helixtrans-57.9-35.3-179.5-91.8178.3174.8-1610113.9K363K363-K367 VanDerWaalsContact O-CB 3.27Å; K363-K367 WeakPolarHBondContact O-CB 3.43Å; K363-K367 WeakPolarHBondContact O-CG 3.34Å; K363-K367 PolarHBondContact O-N 3.35Å; K363-K367 VanDerWaalsContact O-N 3.15Å
368T53.9Low64.7Low101 Ų10195.9 Ų95.962%0.6247%0.466SS*.Hα-helixtrans-97.5-15.5-174.9-420000113Y366 F372Y366-T368 VanDerWaalsContact C-N 3.28Å; Y366-T368 PolarHBondContact O-N 3.08Å; T368-F372 WeakPolarHBondContact O-CD2 3.48Å
369Q55.5Low66.3Low113 Ų11390.4 Ų90.453%0.52845%0.445SS..Hα-helixtrans-106.6-32.1-175.8-65.4-172.6-2.600113.5Y366 T373Y366-Q369 PolarHBondContact O-N 3.38Å; Q369-T373 VanDerWaalsContact O-CB 3.24Å; Q369-T373 WeakPolarHBondContact O-CB 3.44Å; Q369-T373 PolarHBondContact O-N 2.92Å; Q369-T373 VanDerWaalsContact O-N 3.13Å; Q369-T373 PolarHBondContact O-OG1 3.4Å
370A59.4Low67.9Low15 Ų1586.7 Ų86.712%0.12443%0.429CS..Hα-helixtrans-70-41.8-17000000113.1Y366Y366-A370 VanDerWaalsContact O-CB 3.32Å; Y366-A370 WeakPolarHBondContact O-CB 3.43Å; Y366-A370 PolarHBondContact O-N 2.82Å
371E61.3Low69.5Low114 Ų11485.3 Ų85.353%0.53343%0.428SS..Hα-helixtrans-69.2-35.9-178.8-69.5177.1-172.300112.5
372F66.9Low71.2Confident175 Ų17579.3 Ų79.377%0.76840%0.4SS*.Hα-helixtrans-85-16.6-179.6-63.3-78000114.2T368T368-F372 WeakPolarHBondContact O-CD2 3.48Å
373T74.8Confident72.9Confident104 Ų10475.1 Ų75.164%0.63838%0.38SS*.Hα-helixtrans-87.8-11.5-178-54.40000112.8Q369Q369-T373 VanDerWaalsContact O-CB 3.24Å; Q369-T373 WeakPolarHBondContact O-CB 3.44Å; Q369-T373 PolarHBondContact O-N 2.92Å; Q369-T373 VanDerWaalsContact O-N 3.13Å; Q369-T373 PolarHBondContact O-OG1 3.4Å
374G80.6Confident74.5Confident33 Ų3371.9 Ų71.934%0.3437%0.367SS..  trans76.3179.9-177.500000114.2R376G374-R376 PolarHBondContact O-N 2.89Å
375P85.4Confident76.2Confident48 Ų4868.1 Ų68.131%0.31236%0.356SS..PPolyproline II helixtrans-66.6128.3-17324.3-32.8000112.3S336 C457S336-P375 WeakPolarHBondContact OG-CA 3.39Å; S336-P375 WeakPolarHBondContact OG-CB 3.46Å; P375-C457 WeakPolarHBondContact CB-O 3.49Å; P375-C457 WeakPolarHBondContact CG-O 3.33Å
376R86.6Confident77.9Confident91 Ų9164.3 Ų64.334%0.34333%0.333SS..PPolyproline II helixtrans-76.8147.2179-55.8178.6-178.9-137-5.8111.1S336 G374S336-R376 WeakPolarHBondContact CA-O 3.43Å; S336-R376 VanDerWaalsContact O-CB 3.26Å; S336-R376 WeakPolarHBondContact O-CB 3.49Å; S336-R376 PolarHBondContact O-N 3.24Å; S336-R376 VanDerWaalsContact O-N 3.1Å; S336-R376 PolarHBondContact OG-N 3.32Å; S336-R376 VanDerWaalsContact OG-N 3.15Å; S336-R376 PolarHBondContact OG-O 3.15Å; G374-R376 PolarHBondContact O-N 2.89Å
377M88.7Confident79.6Confident93 Ų9360.9 Ų60.946%0.45832%0.319SS..PPolyproline II helixtrans-71.8137.1171.1-64.6-175.2178.300111.1Y455M377-Y455 CarbonylContact C-O 3.56Å; M377-Y455 WeakPolarHBondContact CA-O 3.19Å
378F91.1Very high81.2Confident0 Ų056.4 Ų56.40%030%0.298CS..EExtended strand (participates in β ladder)trans-125.6152.9174.757.2-95.5000110.6A332 A335 L383 K454 Y455A332-F378 HydrophobicContact CB-CE1 4.39Å; A332-F378 HydrophobicContact CB-CZ 3.8Å; A332-F378 WeakPolarHBondContact O-CE1 3.47Å; A335-F378 HydrophobicContact CB-CB 3.96Å; A335-F378 HydrophobicContact CB-CD1 3.69Å; A335-F378 HydrophobicContact CB-CD2 4.02Å; A335-F378 HydrophobicContact CB-CE1 4.15Å; A335-F378 HydrophobicContact CB-CE2 4.47Å; A335-F378 HydrophobicContact CB-CG 3.61Å; F378-L383 HydrophobicContact CD2-CB 3.9Å; F378-L383 HydrophobicContact CE2-CB 3.7Å; F378-L383 HydrophobicContact CE2-CD1 4.18Å; F378-L383 HydrophobicContact CE2-CD2 4.02Å; F378-L383 HydrophobicContact CE2-CG 4.18Å; F378-K454 CarbonylContact O-C 3.54Å; F378-K454 VanDerWaalsContact O-CA 3.26Å; F378-K454 WeakPolarHBondContact O-CA 3.16Å; F378-Y455 VanDerWaalsContact CD1-O 3.32Å; F378-Y455 WeakPolarHBondContact CD1-O 3.48Å; F378-Y455 WeakPolarHBondContact CE1-O 3.26Å; F378-Y455 PolarHBondContact N-O 3.25Å; F378-Y455 PolarHBondContact O-N 2.81Å
379T91.7Very high82.7Confident23 Ų2353.1 Ų53.114%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-79.5153.8175.155.10000110.3D381 R382 L383 N452 K454T379-D381 PolarHBondContact O-N 3.46Å; T379-R382 WeakPolarHBondContact O-CB 3.39Å; T379-R382 PolarHBondContact O-N 3.27Å; T379-R382 VanDerWaalsContact O-N 3.08Å; T379-R382 WeakPolarHBondContact OG1-CB 3.3Å; T379-R382 PolarHBondContact OG1-N 3.34Å; T379-L383 PolarHBondContact O-N 3.14Å; T379-L383 VanDerWaalsContact O-N 3.15Å; T379-N452 WeakPolarHBondContact CB-OD1 3.36Å; T379-N452 VanDerWaalsContact CG2-OD1 3.26Å; T379-N452 WeakPolarHBondContact CG2-OD1 3.3Å; T379-K454 HydrophobicContact CG2-CG 4.37Å
380L89.5Confident84.2Confident19 Ų1948.2 Ų48.210%0.09926%0.256CS..Hα-helixtrans-53.7-42.1174.2176.963.8000112.3R382 L383 L384 M405 I408 P453 Y455L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 3.3Å; L380-L383 WeakPolarHBondContact O-CB 3.48Å; L380-L383 PolarHBondContact O-N 3.19Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L380-L384 HydrophobicContact CD1-CD1 4.23Å; L380-L384 HydrophobicContact CD1-CG 4.17Å; L380-L384 HydrophobicContact CG-CD1 4.06Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CG 3.43Å; L380-L384 PolarHBondContact O-N 2.87Å; L380-M405 HydrophobicContact CD1-SD 3.97Å; L380-M405 HydrophobicContact CD2-CE 3.75Å; L380-M405 HydrophobicContact CD2-SD 3.64Å; L380-M405 HydrophobicContact CG-SD 4.4Å; L380-I408 HydrophobicContact CD1-CD1 3.47Å; L380-I408 VanDerWaalsContact CD1-CD1 3.47Å; L380-P453 HydrophobicContact CB-CG 3.89Å; L380-P453 HydrophobicContact CD2-CG 3.84Å; L380-P453 PolarHBondContact N-O 3.01Å; L380-Y455 HydrophobicContact CB-CE2 4.17Å; L380-Y455 HydrophobicContact CD1-CE2 4.19Å
381D89.2Confident85.3Confident111 Ų11147.6 Ų47.659%0.59425%0.25SS*.Hα-helixtrans-58.2-40.4177.8-59.5-31.9000112.4T379 L384 A385T379-D381 PolarHBondContact O-N 3.46Å; D381-L384 PolarHBondContact O-N 3.32Å; D381-A385 VanDerWaalsContact O-CB 3.31Å; D381-A385 WeakPolarHBondContact O-CB 3.48Å; D381-A385 PolarHBondContact O-N 2.93Å
382R91.9Very high86Confident21 Ų2147.7 Ų47.78%0.07925%0.251CS..Hα-helixtrans-66.6-41.7178.1-176.4178.3-178.2-144.1-7111.2A335 N338 D343 T379 L380 A385 I386A335-R382 PolarHBondContact O-NH1 3.24Å; A335-R382 PolarHBondContact O-NH2 2.93Å; N338-R382 PolarHBondContact O-NH2 3.3Å; D343-R382 IonicContact OD1-CZ 3.99Å; D343-R382 IonicContact OD1-NE 3.83Å; D343-R382 IonicContact OD1-NH2 3.87Å; D343-R382 PolarHBondContact OD1-NH2 3.11Å; D343-R382 IonicContact OD2-CZ 2.69Å; D343-R382 IonicContact OD2-NE 2.57Å; D343-R382 PolarHBondContact OD2-NE 3.44Å; D343-R382 IonicContact OD2-NH2 3.46Å; D343-R382 PolarHBondContact OD2-NH2 3.36Å; T379-R382 WeakPolarHBondContact O-CB 3.39Å; T379-R382 PolarHBondContact O-N 3.27Å; T379-R382 VanDerWaalsContact O-N 3.08Å; T379-R382 WeakPolarHBondContact OG1-CB 3.3Å; T379-R382 PolarHBondContact OG1-N 3.34Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 3.3Å; R382-A385 PolarHBondContact O-N 3.09Å; R382-I386 HydrophobicContact CG-CD1 4.05Å; R382-I386 WeakPolarHBondContact O-CG1 3.5Å; R382-I386 PolarHBondContact O-N 2.88Å; R382-I386 VanDerWaalsContact O-N 3.1Å
383L92.1Very high86.2Confident0 Ų043.8 Ų43.80%024%0.238CC..Hα-helixtrans-59.4-51.4175.3172.962.9000110.9L328 A331 A332 F378 T379 L380 A385 I386 F387 I408L328-L383 HydrophobicContact CD1-CD1 4.24Å; L328-L383 HydrophobicContact CD1-CD2 4.1Å; L328-L383 HydrophobicContact CD1-CG 4.17Å; A331-L383 HydrophobicContact CB-CD1 3.95Å; A332-L383 HydrophobicContact CB-CD1 3.71Å; F378-L383 HydrophobicContact CD2-CB 3.9Å; F378-L383 HydrophobicContact CE2-CB 3.7Å; F378-L383 HydrophobicContact CE2-CD1 4.18Å; F378-L383 HydrophobicContact CE2-CD2 4.02Å; F378-L383 HydrophobicContact CE2-CG 4.18Å; T379-L383 PolarHBondContact O-N 3.14Å; T379-L383 VanDerWaalsContact O-N 3.15Å; L380-L383 WeakPolarHBondContact O-CB 3.48Å; L380-L383 PolarHBondContact O-N 3.19Å; L380-L383 VanDerWaalsContact O-N 3.12Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-A385 PolarHBondContact O-N 3.16Å; L383-I386 PolarHBondContact O-N 3.49Å; L383-F387 VanDerWaalsContact O-CB 3.26Å; L383-F387 WeakPolarHBondContact O-CB 3.3Å; L383-F387 PolarHBondContact O-N 2.65Å; L383-I408 HydrophobicContact CD2-CD1 3.89Å; L383-I408 HydrophobicContact CD2-CG1 4.25Å
384L89.4Confident85.9Confident28 Ų2844.4 Ų44.415%0.14723%0.233CC..Hα-helixtrans-62.2-41.4-179.2-67.6177.2000111.3L380 D381 I386 F387 Y388 L404L380-L384 HydrophobicContact CD1-CD1 4.23Å; L380-L384 HydrophobicContact CD1-CG 4.17Å; L380-L384 HydrophobicContact CG-CD1 4.06Å; L380-L384 HydrophobicContact CG-CG 4.4Å; L380-L384 WeakPolarHBondContact O-CG 3.43Å; L380-L384 PolarHBondContact O-N 2.87Å; D381-L384 PolarHBondContact O-N 3.32Å; L384-I386 PolarHBondContact O-N 3.41Å; L384-F387 PolarHBondContact O-N 3.05Å; L384-Y388 HydrophobicContact CB-CD2 4.3Å; L384-Y388 HydrophobicContact CB-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 WeakPolarHBondContact O-CD2 3.22Å; L384-Y388 VanDerWaalsContact O-CG 3.27Å; L384-Y388 PolarHBondContact O-N 2.99Å; L384-L404 HydrophobicContact CD2-CD1 4.25Å
385A89.3Confident85.3Confident38 Ų3846.4 Ų46.431%0.31423%0.233SC..Hα-helixtrans-60.3-46.517700000112.6L347 D381 R382 L383 V389L347-A385 HydrophobicContact CD2-CB 4.38Å; D381-A385 VanDerWaalsContact O-CB 3.31Å; D381-A385 WeakPolarHBondContact O-CB 3.48Å; D381-A385 PolarHBondContact O-N 2.93Å; R382-A385 PolarHBondContact O-N 3.09Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-A385 PolarHBondContact O-N 3.16Å; A385-V389 PolarHBondContact O-N 3.01Å
386I90.1Very high84.2Confident6 Ų649.5 Ų49.53%0.03126%0.262CS..Hα-helixtrans-65.7-44.8176.9-65.2168.5000110A331 M334 A335 R382 L383 L384 Y388 V389 L390A331-I386 HydrophobicContact CB-CB 4.4Å; A331-I386 HydrophobicContact CB-CG2 3.89Å; M334-I386 HydrophobicContact CB-CG2 4.43Å; M334-I386 HydrophobicContact CE-CG2 4.45Å; A335-I386 HydrophobicContact CB-CD1 3.69Å; R382-I386 HydrophobicContact CG-CD1 4.05Å; R382-I386 WeakPolarHBondContact O-CG1 3.5Å; R382-I386 PolarHBondContact O-N 2.88Å; R382-I386 VanDerWaalsContact O-N 3.1Å; L383-I386 PolarHBondContact O-N 3.49Å; L384-I386 PolarHBondContact O-N 3.41Å; I386-Y388 PolarHBondContact O-N 3.11Å; I386-V389 PolarHBondContact O-N 3.47Å; I386-L390 HydrophobicContact CG2-CD1 4.21Å; I386-L390 WeakPolarHBondContact O-CG 3.2Å; I386-L390 PolarHBondContact O-N 3.4Å
387F90.4Very high83.3Confident0 Ų053.9 Ų53.90%028%0.284CS..Hα-helixtrans-58.3-46.8178.2173.7-102.6000112.1F327 L328 A331 L383 L384 V389 L390 V391 P399 L404F327-F387 HydrophobicContact CB-CD2 4.29Å; F327-F387 HydrophobicContact CB-CE2 3.92Å; L328-F387 HydrophobicContact CB-CD2 4.03Å; L328-F387 HydrophobicContact CB-CE2 3.93Å; L328-F387 HydrophobicContact CD1-CB 4.43Å; L328-F387 HydrophobicContact CD1-CD2 3.9Å; L328-F387 HydrophobicContact CD1-CE2 4.29Å; L328-F387 HydrophobicContact CD1-CG 4.11Å; A331-F387 HydrophobicContact CB-CB 3.95Å; L383-F387 VanDerWaalsContact O-CB 3.26Å; L383-F387 WeakPolarHBondContact O-CB 3.3Å; L383-F387 PolarHBondContact O-N 2.65Å; L384-F387 PolarHBondContact O-N 3.05Å; F387-V389 VanDerWaalsContact C-N 3.3Å; F387-V389 PolarHBondContact O-N 3.11Å; F387-L390 PolarHBondContact O-N 3.41Å; F387-V391 HydrophobicContact CD1-CG2 4.29Å; F387-V391 HydrophobicContact CD2-CG2 3.91Å; F387-V391 HydrophobicContact CE1-CG2 3.91Å; F387-V391 HydrophobicContact CE2-CG2 3.52Å; F387-V391 HydrophobicContact CG-CG2 4.31Å; F387-V391 HydrophobicContact CZ-CG2 3.53Å; F387-V391 WeakPolarHBondContact O-CB 3.45Å; F387-V391 WeakPolarHBondContact O-CG2 3.31Å; F387-V391 PolarHBondContact O-N 3.05Å; F387-P399 HydrophobicContact CE1-CG 4.37Å; F387-L404 HydrophobicContact CD1-CD1 4.19Å; F387-L404 HydrophobicContact CD1-CD2 4.47Å; F387-L404 HydrophobicContact CE1-CD1 3.7Å; F387-L404 HydrophobicContact CE1-CD2 3.54Å; F387-L404 HydrophobicContact CE1-CG 4.29Å; F387-L404 HydrophobicContact CZ-CD2 3.58Å
388Y88Confident82.2Confident51 Ų5153.3 Ų53.320%0.229%0.286CS..Hα-helixtrans-63-36.4178.6-69.4-46.7000112.2L384 I386 Q392 V398 L404L384-Y388 HydrophobicContact CB-CD2 4.3Å; L384-Y388 HydrophobicContact CB-CE2 3.89Å; L384-Y388 WeakPolarHBondContact O-CB 3.47Å; L384-Y388 WeakPolarHBondContact O-CD2 3.22Å; L384-Y388 VanDerWaalsContact O-CG 3.27Å; L384-Y388 PolarHBondContact O-N 2.99Å; I386-Y388 PolarHBondContact O-N 3.11Å; Y388-Q392 WeakPolarHBondContact O-CB 3.5Å; Y388-Q392 WeakPolarHBondContact O-CG 3.32Å; Y388-Q392 PolarHBondContact O-N 3.32Å; Y388-V398 HydrophobicContact CD1-CG1 3.61Å; Y388-V398 HydrophobicContact CE1-CG1 3.21Å; Y388-L404 HydrophobicContact CE1-CD1 4.03Å
389V85.8Confident81.2Confident32 Ų3254.7 Ų54.719%0.19429%0.294CS..Hα-helixtrans-68.2-35.7175.8167.30000112.7L346 L347 A385 I386 F387 N393L346-V389 WeakPolarHBondContact O-CG1 3.09Å; L347-V389 HydrophobicContact CD2-CB 4.23Å; L347-V389 HydrophobicContact CD2-CG2 3.37Å; A385-V389 PolarHBondContact O-N 3.01Å; I386-V389 PolarHBondContact O-N 3.47Å; F387-V389 VanDerWaalsContact C-N 3.3Å; F387-V389 PolarHBondContact O-N 3.11Å; V389-N393 PolarHBondContact O-ND2 3.01Å
390L85.2Confident80.3Confident11 Ų1157.4 Ų57.46%0.05831%0.314CS..Hα-helixtrans-69.3-46175.1-66.2177.4000111.5F327 I330 A331 M334 I386 F387 N393 F473F327-L390 HydrophobicContact CD1-CB 4.33Å; I330-L390 HydrophobicContact CG2-CD1 4.2Å; A331-L390 HydrophobicContact CB-CD1 3.93Å; M334-L390 HydrophobicContact SD-CD1 4.12Å; M334-L390 HydrophobicContact SD-CD2 4.44Å; I386-L390 HydrophobicContact CG2-CD1 4.21Å; I386-L390 WeakPolarHBondContact O-CG 3.2Å; I386-L390 PolarHBondContact O-N 3.4Å; F387-L390 PolarHBondContact O-N 3.41Å; L390-N393 PolarHBondContact O-N 2.87Å; L390-F473 HydrophobicContact CD2-CD2 4.5Å; L390-F473 HydrophobicContact CD2-CE1 4.36Å; L390-F473 HydrophobicContact CD2-CE2 3.47Å; L390-F473 VanDerWaalsContact CD2-CE2 3.47Å; L390-F473 HydrophobicContact CD2-CZ 3.38Å
391V83.6Confident79.7Confident2 Ų261 Ų611%0.01234%0.336CS..Hα-helixtrans-71.7-34.2-177.9168.50000112.4F327 F387 N393 E394 F395F327-V391 HydrophobicContact CB-CG2 4.32Å; F327-V391 HydrophobicContact CG-CG2 4.5Å; F387-V391 HydrophobicContact CD1-CG2 4.29Å; F387-V391 HydrophobicContact CD2-CG2 3.91Å; F387-V391 HydrophobicContact CE1-CG2 3.91Å; F387-V391 HydrophobicContact CE2-CG2 3.52Å; F387-V391 HydrophobicContact CG-CG2 4.31Å; F387-V391 HydrophobicContact CZ-CG2 3.53Å; F387-V391 WeakPolarHBondContact O-CB 3.45Å; F387-V391 WeakPolarHBondContact O-CG2 3.31Å; F387-V391 PolarHBondContact O-N 3.05Å; V391-N393 PolarHBondContact O-N 3.09Å; V391-N393 VanDerWaalsContact O-N 3.16Å; V391-E394 PolarHBondContact O-N 3.27Å; V391-F395 HydrophobicContact CB-CD2 4.42Å; V391-F395 HydrophobicContact CG1-CB 3.89Å; V391-F395 HydrophobicContact CG1-CD2 3.63Å; V391-F395 HydrophobicContact CG1-CG 4.11Å; V391-F395 PolarHBondContact O-N 3.04Å
392Q76.4Confident79.3Confident116 Ų11659.7 Ų59.754%0.54234%0.336SS..THydrogen-bonded Turntrans-60.1-24.5178.2-85.3172.814.900113.6Y388 E394Y388-Q392 WeakPolarHBondContact O-CB 3.5Å; Y388-Q392 WeakPolarHBondContact O-CG 3.32Å; Y388-Q392 PolarHBondContact O-N 3.32Å; Q392-E394 VanDerWaalsContact C-N 3.32Å
393N69.9Low79Confident93 Ų9362.8 Ų62.850%0.49735%0.353SS..THydrogen-bonded Turntrans-76.3-23.7175.7-65.4-28.6000112.1K349 V389 L390 V391K349-N393 PolarHBondContact NZ-OD1 3.29Å; V389-N393 PolarHBondContact O-ND2 3.01Å; L390-N393 PolarHBondContact O-N 2.87Å; V391-N393 PolarHBondContact O-N 3.09Å; V391-N393 VanDerWaalsContact O-N 3.16Å
394E68.7Low78.6Confident116 Ų11662.9 Ų62.954%0.54235%0.354SS..THydrogen-bonded Turntrans-108.9-29.2-173-66.5-66.414500113.3F327 V391 Q392F327-E394 HydrophobicContact CE1-CG 4.39Å; F327-E394 HydrophobicContact CZ-CB 4.49Å; F327-E394 HydrophobicContact CZ-CG 3.78Å; V391-E394 PolarHBondContact O-N 3.27Å; Q392-E394 VanDerWaalsContact C-N 3.32Å
395F69.6Low78.5Confident76 Ų7665.2 Ų65.233%0.33337%0.365SS..  trans-128.2128.8-172.1-65-86000112.5Y323 L324 F327 V391 K397Y323-F395 HydrophobicContact CD1-CE2 4.15Å; Y323-F395 AromaticContact CD1-CZ 3.63Å; Y323-F395 HydrophobicContact CD1-CZ 3.63Å; Y323-F395 AromaticContact CE1-CE2 3.67Å; Y323-F395 HydrophobicContact CE1-CE2 3.67Å; Y323-F395 AromaticContact CE1-CZ 3.37Å; Y323-F395 HydrophobicContact CE1-CZ 3.37Å; L324-F395 HydrophobicContact CD2-CE2 4.26Å; L324-F395 HydrophobicContact CD2-CZ 4.27Å; F327-F395 HydrophobicContact CE2-CE2 4.28Å; V391-F395 HydrophobicContact CB-CD2 4.42Å; V391-F395 HydrophobicContact CG1-CB 3.89Å; V391-F395 HydrophobicContact CG1-CD2 3.63Å; V391-F395 HydrophobicContact CG1-CG 4.11Å; V391-F395 PolarHBondContact O-N 3.04Å; F395-K397 VanDerWaalsContact C-N 3.35Å
396A62Low78.4Confident112 Ų11267.3 Ų67.393%0.92638%0.377SS*.SBendtrans-75.1-20.4174.900000113.9
397K66.3Low78.3Confident184 Ų18468.6 Ų68.680%0.838%0.383SS*.SBendtrans-122.2124.8179.9-73.8-177.9-179.4178.50110.6F395F395-K397 VanDerWaalsContact C-N 3.35Å
398V67.2Low78.3Confident81 Ų8168.6 Ų68.649%0.49138%0.383SS..PPolyproline II helixtrans-75.9130.9179.3-178.40000109.7Y388Y388-V398 HydrophobicContact CD1-CG1 3.61Å; Y388-V398 HydrophobicContact CE1-CG1 3.21Å
399P68.9Low78.1Confident28 Ų2867.5 Ų67.518%0.18239%0.385CS..PPolyproline II helixtrans-67.4152.1177.425.5-32.5000112.5L324 F387 T401 L404L324-P399 HydrophobicContact CD1-CB 4.45Å; L324-P399 HydrophobicContact CD2-CG 4.48Å; F387-P399 HydrophobicContact CE1-CG 4.37Å; P399-T401 PolarHBondContact O-N 3.44Å; P399-L404 HydrophobicContact CG-CD1 4.32Å; P399-L404 HydrophobicContact CG-CD2 4.08Å; P399-L404 HydrophobicContact CG-CG 4.36Å
400C73.1Confident78.3Confident81 Ų8169.4 Ų69.455%0.54740%0.399SS..PPolyproline II helixtrans-56133.7177.8-62.70000111.5S402 I403 L404C400-S402 PolarHBondContact O-N 2.67Å; C400-I403 HydrophobicContact CB-CD1 4.23Å; C400-I403 HydrophobicContact CB-CG1 4.39Å; C400-I403 PolarHBondContact O-N 2.78Å; C400-I403 VanDerWaalsContact O-N 3.12Å; C400-L404 PolarHBondContact O-N 2.68Å
401T76.8Confident78.4Confident93 Ų9369.1 Ų69.157%0.57140%0.397SS*.Hα-helixtrans-56.4-32.2179.347.30000113.1P399 I403 L404 M405P399-T401 PolarHBondContact O-N 3.44Å; T401-I403 PolarHBondContact O-N 3.24Å; T401-L404 PolarHBondContact O-N 2.94Å; T401-M405 WeakPolarHBondContact O-CG 3.26Å; T401-M405 PolarHBondContact O-N 3.35Å
402S80.5Confident78.7Confident84 Ų8469.9 Ų69.959%0.58740%0.402SS*.Hα-helixtrans-62.9-40.7177.256.70000113.5C400 M405 S406C400-S402 PolarHBondContact O-N 2.67Å; S402-M405 PolarHBondContact O-N 3.02Å; S402-S406 PolarHBondContact O-N 2.85Å; S402-S406 VanDerWaalsContact O-N 3.12Å
403I85.1Confident79.1Confident87 Ų8766.9 Ų66.945%0.44640%0.397SS..Hα-helixtrans-68.4-40.8178.5-61.4171.1000109.8C400 T401 M405 S406 Q407C400-I403 HydrophobicContact CB-CD1 4.23Å; C400-I403 HydrophobicContact CB-CG1 4.39Å; C400-I403 PolarHBondContact O-N 2.78Å; C400-I403 VanDerWaalsContact O-N 3.12Å; T401-I403 PolarHBondContact O-N 3.24Å; I403-M405 PolarHBondContact O-N 2.9Å; I403-S406 PolarHBondContact O-N 2.87Å; I403-Q407 WeakPolarHBondContact O-CG 3.39Å; I403-Q407 PolarHBondContact O-N 3.25Å
404L85.5Confident79.9Confident2 Ų266.4 Ų66.41%0.0140%0.4CS..Hα-helixtrans-61.9-43.1176.3-64.4176000111.4L384 F387 Y388 P399 C400 T401 S406 Q407 I408L384-L404 HydrophobicContact CD2-CD1 4.25Å; F387-L404 HydrophobicContact CD1-CD1 4.19Å; F387-L404 HydrophobicContact CD1-CD2 4.47Å; F387-L404 HydrophobicContact CE1-CD1 3.7Å; F387-L404 HydrophobicContact CE1-CD2 3.54Å; F387-L404 HydrophobicContact CE1-CG 4.29Å; F387-L404 HydrophobicContact CZ-CD2 3.58Å; Y388-L404 HydrophobicContact CE1-CD1 4.03Å; P399-L404 HydrophobicContact CG-CD1 4.32Å; P399-L404 HydrophobicContact CG-CD2 4.08Å; P399-L404 HydrophobicContact CG-CG 4.36Å; C400-L404 PolarHBondContact O-N 2.68Å; T401-L404 PolarHBondContact O-N 2.94Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.13Å; L404-Q407 PolarHBondContact O-N 2.87Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.43Å; L404-I408 PolarHBondContact O-N 3.15Å
405M86.1Confident80.8Confident77 Ų7762.9 Ų62.938%0.37939%0.394SS..Hα-helixtrans-62.3-40.1176.5-71.4-56.1-67.200112.5L380 T401 S402 I403 I408 A409L380-M405 HydrophobicContact CD1-SD 3.97Å; L380-M405 HydrophobicContact CD2-CE 3.75Å; L380-M405 HydrophobicContact CD2-SD 3.64Å; L380-M405 HydrophobicContact CG-SD 4.4Å; T401-M405 WeakPolarHBondContact O-CG 3.26Å; T401-M405 PolarHBondContact O-N 3.35Å; S402-M405 PolarHBondContact O-N 3.02Å; I403-M405 PolarHBondContact O-N 2.9Å; M405-I408 PolarHBondContact O-N 3.27Å; M405-I408 HydrophobicContact SD-CD1 4.16Å; M405-A409 PolarHBondContact O-N 2.85Å
406S87.1Confident81.7Confident81 Ų8160.4 Ų60.457%0.56639%0.385SS*.Hα-helixtrans-63.3-40.3173.3177.90000112.2S402 I403 L404 A409 C410S402-S406 PolarHBondContact O-N 2.85Å; S402-S406 VanDerWaalsContact O-N 3.12Å; I403-S406 PolarHBondContact O-N 2.87Å; L404-S406 VanDerWaalsContact C-N 3.34Å; L404-S406 PolarHBondContact O-N 3.13Å; S406-A409 PolarHBondContact O-N 3.01Å; S406-C410 WeakPolarHBondContact O-CB 3.5Å; S406-C410 PolarHBondContact O-N 3.43Å
407Q89.1Confident83Confident33 Ų3355.2 Ų55.215%0.15434%0.341CS..Hα-helixtrans-66.6-38.5175.4-72.3179.7-2.300112.5L328 I403 L404 C410 L411L328-Q407 HydrophobicContact CD2-CB 4.11Å; I403-Q407 WeakPolarHBondContact O-CG 3.39Å; I403-Q407 PolarHBondContact O-N 3.25Å; L404-Q407 PolarHBondContact O-N 2.87Å; Q407-C410 WeakPolarHBondContact O-CB 3.3Å; Q407-C410 PolarHBondContact O-N 2.93Å; Q407-L411 WeakPolarHBondContact O-CB 3.34Å; Q407-L411 WeakPolarHBondContact O-CG 3.46Å; Q407-L411 PolarHBondContact O-N 2.67Å
408I88.5Confident84.1Confident0 Ų047.5 Ų47.50%031%0.31CS..Hα-helixtrans-63.2-44.7174.3-66168.1000110.1L328 L380 L383 L404 M405 C410 L411 T412 L417 Y455L328-I408 HydrophobicContact CD1-CG1 4.36Å; L328-I408 HydrophobicContact CD2-CG1 3.77Å; L328-I408 HydrophobicContact CG-CG1 4.49Å; L380-I408 HydrophobicContact CD1-CD1 3.47Å; L380-I408 VanDerWaalsContact CD1-CD1 3.47Å; L383-I408 HydrophobicContact CD2-CD1 3.89Å; L383-I408 HydrophobicContact CD2-CG1 4.25Å; L404-I408 VanDerWaalsContact O-CG1 3.29Å; L404-I408 WeakPolarHBondContact O-CG1 3.43Å; L404-I408 PolarHBondContact O-N 3.15Å; M405-I408 PolarHBondContact O-N 3.27Å; M405-I408 HydrophobicContact SD-CD1 4.16Å; I408-C410 VanDerWaalsContact C-N 3.32Å; I408-C410 PolarHBondContact O-N 3.42Å; I408-L411 PolarHBondContact O-N 3.29Å; I408-T412 PolarHBondContact O-N 3.37Å; I408-T412 PolarHBondContact O-OG1 3.48Å; I408-L417 HydrophobicContact CG2-CD1 4.36Å; I408-Y455 HydrophobicContact CG2-CE1 4.15Å; I408-Y455 HydrophobicContact CG2-CE2 4.33Å
409A85.6Confident85.1Confident29 Ų2944.9 Ų44.924%0.2430%0.295CS..Hα-helixtrans-59.8-42.6175.200000111.6M405 S406 T412 A413 V426M405-A409 PolarHBondContact O-N 2.85Å; S406-A409 PolarHBondContact O-N 3.01Å; A409-T412 WeakPolarHBondContact CA-OG1 3.35Å; A409-T412 PolarHBondContact O-N 3.27Å; A409-T412 PolarHBondContact O-OG1 3.39Å; A409-A413 WeakPolarHBondContact O-CB 3.49Å; A409-A413 PolarHBondContact O-N 2.99Å; A409-V426 HydrophobicContact CB-CB 4.44Å
410C88.5Confident85.7Confident72 Ų7246.4 Ų46.449%0.48631%0.307SS..Hα-helixtrans-62.2-45.5174.8-171.30000112S406 Q407 I408 T412 A413 C414S406-C410 WeakPolarHBondContact O-CB 3.5Å; S406-C410 PolarHBondContact O-N 3.43Å; Q407-C410 WeakPolarHBondContact O-CB 3.3Å; Q407-C410 PolarHBondContact O-N 2.93Å; I408-C410 VanDerWaalsContact C-N 3.32Å; I408-C410 PolarHBondContact O-N 3.42Å; C410-T412 VanDerWaalsContact C-N 3.27Å; C410-T412 PolarHBondContact O-N 2.96Å; C410-A413 WeakPolarHBondContact O-CB 3.41Å; C410-A413 PolarHBondContact O-N 2.88Å; C410-A413 VanDerWaalsContact O-N 3.09Å; C410-C414 PolarHBondContact O-N 3.25Å; C410-C414 PolarHBondContact O-SG 3.02Å
411L88.8Confident85.8Confident4 Ų444.3 Ų44.32%0.02129%0.293CS..Hα-helixtrans-61.5-34.4175.8-75.6176.5000112.7T325 L328 L329 Q407 I408 G415 L416 L417T325-L411 HydrophobicContact CG2-CD1 4.05Å; T325-L411 HydrophobicContact CG2-CD2 3.54Å; T325-L411 HydrophobicContact CG2-CG 3.91Å; L328-L411 HydrophobicContact CD2-CD1 3.69Å; L328-L411 HydrophobicContact CG-CD1 4.1Å; L329-L411 HydrophobicContact CD1-CD1 4.12Å; L329-L411 HydrophobicContact CD1-CD2 4.04Å; Q407-L411 WeakPolarHBondContact O-CB 3.34Å; Q407-L411 WeakPolarHBondContact O-CG 3.46Å; Q407-L411 PolarHBondContact O-N 2.67Å; I408-L411 PolarHBondContact O-N 3.29Å; L411-G415 PolarHBondContact O-N 3.44Å; L411-L416 HydrophobicContact CD2-CB 4.15Å; L411-L416 HydrophobicContact CD2-CD1 3.56Å; L411-L416 HydrophobicContact CD2-CG 4.48Å; L411-L416 PolarHBondContact O-N 2.97Å; L411-L417 HydrophobicContact CB-CD1 3.77Å; L411-L417 HydrophobicContact CB-CG 3.95Å; L411-L417 HydrophobicContact CD1-CD1 3.93Å; L411-L417 HydrophobicContact CD1-CG 4.47Å; L411-L417 PolarHBondContact O-N 3.36Å; L411-L417 VanDerWaalsContact O-N 3.15Å
412T88Confident85.5Confident18 Ų1848.4 Ų48.411%0.1131%0.305CS..Hα-helixtrans-71-39.2172.252.90000112.5I408 A409 C410 C414 G415 L417 Y455I408-T412 PolarHBondContact O-N 3.37Å; I408-T412 PolarHBondContact O-OG1 3.48Å; A409-T412 WeakPolarHBondContact CA-OG1 3.35Å; A409-T412 PolarHBondContact O-N 3.27Å; A409-T412 PolarHBondContact O-OG1 3.39Å; C410-T412 VanDerWaalsContact C-N 3.27Å; C410-T412 PolarHBondContact O-N 2.96Å; T412-C414 VanDerWaalsContact C-N 3.31Å; T412-C414 PolarHBondContact O-N 2.86Å; T412-G415 PolarHBondContact O-N 3.31Å; T412-G415 VanDerWaalsContact O-N 3.12Å; T412-L417 WeakPolarHBondContact CA-O 3.43Å; T412-L417 HydrophobicContact CG2-CB 3.74Å; T412-Y455 HydrophobicContact CG2-CD1 3.93Å; T412-Y455 HydrophobicContact CG2-CE1 3.82Å
413A86Confident84.7Confident53 Ų5347.7 Ų47.744%0.43831%0.305SS..Hα-helixtrans-63.7-37.1175.800000111.8A409 C410 G415 V426A409-A413 WeakPolarHBondContact O-CB 3.49Å; A409-A413 PolarHBondContact O-N 2.99Å; C410-A413 WeakPolarHBondContact O-CB 3.41Å; C410-A413 PolarHBondContact O-N 2.88Å; C410-A413 VanDerWaalsContact O-N 3.09Å; A413-G415 PolarHBondContact O-N 2.92Å; A413-V426 WeakPolarHBondContact CB-O 3.45Å
414C86.2Confident83.6Confident84 Ų8444.4 Ų44.457%0.56829%0.288SS*.THydrogen-bonded Turntrans-75.4-2.1175.7-64.30000113.9C410 T412 L416C410-C414 PolarHBondContact O-N 3.25Å; C410-C414 PolarHBondContact O-SG 3.02Å; T412-C414 VanDerWaalsContact C-N 3.31Å; T412-C414 PolarHBondContact O-N 2.86Å; C414-L416 HydrophobicContact CB-CD1 4.24Å; C414-L416 HydrophobicContact CB-CG 4.12Å; C414-L416 PolarHBondContact O-N 3.37Å
415G88Confident82.3Confident41 Ų4146.5 Ų46.542%0.42330%0.303SS..THydrogen-bonded Turntrans70.613.5-177.800000114.7L411 T412 A413 L458L411-G415 PolarHBondContact O-N 3.44Å; T412-G415 PolarHBondContact O-N 3.31Å; T412-G415 VanDerWaalsContact O-N 3.12Å; A413-G415 PolarHBondContact O-N 2.92Å; G415-L458 WeakPolarHBondContact O-CD1 3.43Å
416L88.8Confident80.7Confident25 Ų2547.5 Ų47.513%0.13131%0.313CS..SBendtrans-80.2-32.1176.5-63.8176.6000111.4L319 L321 L329 L411 C414 L458 I459L319-L416 HydrophobicContact CD1-CD2 3.97Å; L321-L416 HydrophobicContact CD2-CD1 4.3Å; L329-L416 HydrophobicContact CD1-CB 4.23Å; L329-L416 HydrophobicContact CD2-CD1 4.46Å; L411-L416 HydrophobicContact CD2-CB 4.15Å; L411-L416 HydrophobicContact CD2-CD1 3.56Å; L411-L416 HydrophobicContact CD2-CG 4.48Å; L411-L416 PolarHBondContact O-N 2.97Å; C414-L416 HydrophobicContact CB-CD1 4.24Å; C414-L416 HydrophobicContact CB-CG 4.12Å; C414-L416 PolarHBondContact O-N 3.37Å; L416-L458 PolarHBondContact O-N 3.1Å; L416-L458 VanDerWaalsContact O-N 3.07Å; L416-I459 HydrophobicContact CB-CD1 4.17Å; L416-I459 HydrophobicContact CD2-CD1 3.95Å; L416-I459 HydrophobicContact CD2-CG1 4.11Å
417L89.7Confident78.7Confident2 Ų245.1 Ų45.11%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-116.7146.9169.6-61.3179.6000109.8L329 A332 I408 L411 T412 R456 C457L329-L417 HydrophobicContact CD1-CD2 4.28Å; A332-L417 HydrophobicContact CB-CD2 3.7Å; I408-L417 HydrophobicContact CG2-CD1 4.36Å; L411-L417 HydrophobicContact CB-CD1 3.77Å; L411-L417 HydrophobicContact CB-CG 3.95Å; L411-L417 HydrophobicContact CD1-CD1 3.93Å; L411-L417 HydrophobicContact CD1-CG 4.47Å; L411-L417 PolarHBondContact O-N 3.36Å; L411-L417 VanDerWaalsContact O-N 3.15Å; T412-L417 WeakPolarHBondContact CA-O 3.43Å; T412-L417 HydrophobicContact CG2-CB 3.74Å; L417-R456 WeakPolarHBondContact CA-O 3.48Å; L417-C457 HydrophobicContact CD2-CB 4.16Å
418S88.7Confident76.4Confident22 Ų2249.6 Ų49.615%0.15433%0.326CS..EExtended strand (participates in β ladder)trans-119.1124.2173.9158.30000109.8Y455 R456S418-Y455 CarbonylContact O-C 3.52Å; S418-Y455 WeakPolarHBondContact O-CA 3.3Å; S418-R456 PolarHBondContact N-O 3.12Å; S418-R456 WeakPolarHBondContact O-CG 3.47Å; S418-R456 PolarHBondContact O-N 3Å; S418-R456 PolarHBondContact OG-NE 3.15Å; S418-R456 PolarHBondContact OG-NH2 3.47Å
419P87.8Confident74.2Confident26 Ų2652.6 Ų52.617%0.16935%0.347CS..EExtended strand (participates in β ladder)trans-73.9154.6171.930.2-32.5000110.6L424 Y455P419-L424 HydrophobicContact CB-CB 3.73Å; P419-L424 HydrophobicContact CB-CD1 4.35Å; P419-L424 HydrophobicContact CG-CB 4.38Å; P419-Y455 HydrophobicContact CB-CD1 4.2Å; P419-Y455 HydrophobicContact CB-CE1 4.15Å
420S82.7Confident71.9Confident61 Ų6161.1 Ų61.143%0.42738%0.379SS..SBendtrans-76.8-22.8174.766.90000113.7K454S420-K454 PolarHBondContact N-O 2.87Å
421S75Confident69.5Low36 Ų3664.1 Ų64.125%0.25240%0.395SS..SBendtrans-121.2139-177.6-179.10000110.8A423 L424S421-A423 PolarHBondContact O-N 3.31Å; S421-A423 PolarHBondContact OG-N 3.42Å; S421-L424 PolarHBondContact O-N 3.47Å; S421-L424 VanDerWaalsContact O-N 3.13Å
422Q69.2Low67Low180 Ų18067.5 Ų67.584%0.84142%0.416SS*.G310 helixtrans-62.1-23.8175-63-178.21100112L424 S425Q422-L424 PolarHBondContact O-N 3.45Å; Q422-L424 VanDerWaalsContact O-N 3.15Å; Q422-S425 PolarHBondContact O-N 3.29Å; Q422-S425 PolarHBondContact O-OG 3.01Å
423A64.3Low64.3Low69 Ų6970.1 Ų70.157%0.5745%0.446SS*.G310 helixtrans-63.7-20176.300000113.4S421 P449S421-A423 PolarHBondContact O-N 3.31Å; S421-A423 PolarHBondContact OG-N 3.42Å; A423-P449 HydrophobicContact CB-CB 4.19Å; A423-P449 HydrophobicContact CB-CG 3.9Å
424L61.1Low61.8Low18 Ų1875.1 Ų75.19%0.09447%0.465CS..G310 helixtrans-100.6-4.6-177.1-64.6168.1000113.3P419 S421 Q422 V426 L450 P453P419-L424 HydrophobicContact CB-CB 3.73Å; P419-L424 HydrophobicContact CB-CD1 4.35Å; P419-L424 HydrophobicContact CG-CB 4.38Å; S421-L424 PolarHBondContact O-N 3.47Å; S421-L424 VanDerWaalsContact O-N 3.13Å; Q422-L424 PolarHBondContact O-N 3.45Å; Q422-L424 VanDerWaalsContact O-N 3.15Å; L424-V426 PolarHBondContact O-N 2.96Å; L424-L450 HydrophobicContact CD2-CD2 4.28Å; L424-P453 HydrophobicContact CD1-CB 3.51Å; L424-P453 HydrophobicContact CD2-CB 3.93Å; L424-P453 HydrophobicContact CG-CB 4.37Å
425S59.1Low59.1Low46 Ų4676.9 Ų76.932%0.32248%0.477SS..  trans-78.789.6179.957.90000110.6Q422 G427Q422-S425 PolarHBondContact O-N 3.29Å; Q422-S425 PolarHBondContact O-OG 3.01Å; S425-G427 PolarHBondContact O-N 3.26Å
426V53Low56.5Low97 Ų9780.9 Ų80.959%0.58849%0.493SS*.  trans-83.687.8169.8-172.60000107.2A409 A413 L424A409-V426 HydrophobicContact CB-CB 4.44Å; A413-V426 WeakPolarHBondContact CB-O 3.45Å; L424-V426 PolarHBondContact O-N 2.96Å
427G44.5Very low53.8Low31 Ų3185.6 Ų85.632%0.3252%0.523SS..SBendtrans167.8-25.6178.800000117.2S425 S429S425-G427 PolarHBondContact O-N 3.26Å; G427-S429 PolarHBondContact O-N 3.5Å
428N41.1Very low51.1Low128 Ų12893 Ų9368%0.68456%0.563SS**SBendtrans-86.25.7172.6-84.831000113.1
429S41.3Very low48.6Very low62 Ų6297.3 Ų97.343%0.43459%0.593SS.*THydrogen-bonded Turntrans-97.57.9-168.4-59.90000116.8G427 T431 T432G427-S429 PolarHBondContact O-N 3.5Å; S429-T431 PolarHBondContact O-N 3.02Å; S429-T432 WeakPolarHBondContact CA-OG1 3.42Å; S429-T432 WeakPolarHBondContact CB-OG1 3.36Å; S429-T432 PolarHBondContact O-N 3.25Å; S429-T432 PolarHBondContact OG-OG1 2.92Å
430F38.6Very low46.1Very low208 Ų208101 Ų10191%0.91262%0.619SS**THydrogen-bonded Turntrans-76.78.4163.6-66.9-70.3000113.6
431T37.6Very low43.7Very low136 Ų136104.7 Ų104.783%0.83464%0.639SS**SBendtrans-132.59157.251.80000114S429S429-T431 PolarHBondContact O-N 3.02Å
432T36.9Very low41.6Very low75 Ų75110 Ų11046%0.4667%0.665SS.*  trans-124.488.7-179.673.10000110.9S429S429-T432 WeakPolarHBondContact CA-OG1 3.42Å; S429-T432 WeakPolarHBondContact CB-OG1 3.36Å; S429-T432 PolarHBondContact O-N 3.25Å; S429-T432 PolarHBondContact OG-OG1 2.92Å
433G31.5Very low39.9Very low72 Ų72106.2 Ų106.274%0.74266%0.664SS**  trans-64.5137.816300000110.4
434L33.5Very low38.4Very low158 Ų158110.4 Ų110.483%0.82768%0.675SS**  trans39.2103.1163.6-100.569.9000117.4T436L434-T436 PolarHBondContact O-N 3.18Å
435C29.6Very low37.2Very low122 Ų122114.2 Ų114.282%0.82470%0.703SS**  trans-38.6104.3148.142.60000112.8
436T32.4Very low36.2Very low124 Ų124118.9 Ų118.976%0.76172%0.724SS**  trans-86.4109153.237.80000108.3L434 N438L434-T436 PolarHBondContact O-N 3.18Å; T436-N438 PolarHBondContact O-N 2.81Å
437T33.2Very low36.1Very low125 Ų125118.8 Ų118.877%0.76772%0.72SS**  trans-64.293.6172.449.20000110.1
438N31.2Very low36.8Very low158 Ų158122.1 Ų122.185%0.84573%0.731SS**  trans-13733.6166.2-91.8-9.7000111.6T436 S440T436-N438 PolarHBondContact O-N 2.81Å; N438-S440 PolarHBondContact O-N 3.06Å; N438-S440 VanDerWaalsContact O-N 3.09Å
439S37Very low37.8Very low111 Ų111118.3 Ų118.378%0.77671%0.713SS**  trans-72.9102.6162.439.70000109V441S439-V441 PolarHBondContact O-N 3.17Å
440S35.2Very low39.1Very low104 Ų104121.4 Ų121.473%0.72772%0.724SS**  trans-16.5116.2159.253.10000114.3N438 N442N438-S440 PolarHBondContact O-N 3.06Å; N438-S440 VanDerWaalsContact O-N 3.09Å; S440-N442 VanDerWaalsContact C-N 3.3Å; S440-N442 PolarHBondContact O-N 3.38Å
441V32.4Very low40.6Very low138 Ų138115 Ų11584%0.83671%0.709SS**SBendtrans-48.693.5156.2-1790000107.7S439S439-V441 PolarHBondContact O-N 3.17Å
442N30.6Very low42.5Very low149 Ų149110.6 Ų110.680%0.79768%0.681SS**  trans175.764.5163-85.2-19.2000110.5S440S440-N442 VanDerWaalsContact C-N 3.3Å; S440-N442 PolarHBondContact O-N 3.38Å
443A33.4Very low44.7Very low99 Ų99107.7 Ų107.782%0.81866%0.663SS**  trans-143.890.1157.600000107.7
444I32.8Very low47.4Very low158 Ų158107.7 Ų107.781%0.8164%0.642SS**  trans-61.1134.8170.3-66.6163000107.7
445S35.6Very low50.1Low97 Ų97100.8 Ų100.868%0.67861%0.606SS**SBendtrans63.796.7170.160.40000118.7
446D39.7Very low53Low144 Ų14499.5 Ų99.577%0.7758%0.583SS**  152.9111.7116.8-86.6-15.8000113.2
447L50.4Low55.8Low96 Ų9693.7 Ų93.750%0.50355%0.548SS..  trans67.7113157.5-65145.2000117.7P449 N452L447-P449 VanDerWaalsContact O-N 3.12Å; L447-N452 HydrophobicContact CD2-CB 3.86Å
448D59.7Low58.5Low101 Ų10191.7 Ų91.754%0.5453%0.532SS..  trans-44.2116.5160.1-173.6-3.3000108.9L450 A451D448-L450 PolarHBondContact O-N 3.45Å; D448-A451 HydrophobicContact CB-CB 3.88Å; D448-A451 WeakPolarHBondContact O-CB 3.15Å; D448-A451 PolarHBondContact O-N 3.32Å
449P60.8Low61.3Low47 Ų4784.9 Ų84.931%0.30550%0.496SS..THydrogen-bonded Turntrans-59.8-20.8-171.720.5-31.5000112.7A423 L447A423-P449 HydrophobicContact CB-CB 4.19Å; A423-P449 HydrophobicContact CB-CG 3.9Å; L447-P449 VanDerWaalsContact O-N 3.12Å
450L68.1Low63.7Low127 Ų12782.1 Ų82.167%0.66548%0.476SS*.THydrogen-bonded Turntrans-79.4-28.4173.7-66.5169.3000113.3L424 D448L424-L450 HydrophobicContact CD2-CD2 4.28Å; D448-L450 PolarHBondContact O-N 3.45Å
451A70.1Confident66.2Low73 Ų7379.5 Ų79.560%0.60345%0.454SS*.THydrogen-bonded Turntrans-79.1-32.8-174.300000113.4D448D448-A451 HydrophobicContact CB-CB 3.88Å; D448-A451 WeakPolarHBondContact O-CB 3.15Å; D448-A451 PolarHBondContact O-N 3.32Å
452N77.4Confident68.7Low45 Ų4579.5 Ų79.524%0.24145%0.445CS..SBendtrans-142.773.2176.5-164.1-7.4000111.1T379 L447 K454T379-N452 WeakPolarHBondContact CB-OD1 3.36Å; T379-N452 VanDerWaalsContact CG2-OD1 3.26Å; T379-N452 WeakPolarHBondContact CG2-OD1 3.3Å; L447-N452 HydrophobicContact CD2-CB 3.86Å; N452-K454 PolarHBondContact O-N 2.83Å
453P84Confident71.5Confident13 Ų1374 Ų748%0.08442%0.415CS..  trans-64.7128.4-177.325.3-32.3000110.3L380 L424 Y455L380-P453 HydrophobicContact CB-CG 3.89Å; L380-P453 HydrophobicContact CD2-CG 3.84Å; L380-P453 PolarHBondContact N-O 3.01Å; L424-P453 HydrophobicContact CD1-CB 3.51Å; L424-P453 HydrophobicContact CD2-CB 3.93Å; L424-P453 HydrophobicContact CG-CB 4.37Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CE2 4.18Å
454K88.1Confident74.1Confident72 Ų7269.5 Ų69.531%0.31338%0.378SS..EExtended strand (participates in β ladder)trans-106.3136.4176.5-62.3172.5-173.8167.20109.7F378 T379 S420 N452F378-K454 CarbonylContact O-C 3.54Å; F378-K454 VanDerWaalsContact O-CA 3.26Å; F378-K454 WeakPolarHBondContact O-CA 3.16Å; T379-K454 HydrophobicContact CG2-CG 4.37Å; S420-K454 PolarHBondContact N-O 2.87Å; N452-K454 PolarHBondContact O-N 2.83Å
455Y90.3Very high76.8Confident13 Ų1365.3 Ų65.35%0.05135%0.354CS..EExtended strand (participates in β ladder)trans-126.4159.6-179.9-59.6-82.6000110.7M377 F378 L380 I408 T412 S418 P419 P453M377-Y455 CarbonylContact C-O 3.56Å; M377-Y455 WeakPolarHBondContact CA-O 3.19Å; F378-Y455 VanDerWaalsContact CD1-O 3.32Å; F378-Y455 WeakPolarHBondContact CD1-O 3.48Å; F378-Y455 WeakPolarHBondContact CE1-O 3.26Å; F378-Y455 PolarHBondContact N-O 3.25Å; F378-Y455 PolarHBondContact O-N 2.81Å; L380-Y455 HydrophobicContact CB-CE2 4.17Å; L380-Y455 HydrophobicContact CD1-CE2 4.19Å; I408-Y455 HydrophobicContact CG2-CE1 4.15Å; I408-Y455 HydrophobicContact CG2-CE2 4.33Å; T412-Y455 HydrophobicContact CG2-CD1 3.93Å; T412-Y455 HydrophobicContact CG2-CE1 3.82Å; S418-Y455 CarbonylContact O-C 3.52Å; S418-Y455 WeakPolarHBondContact O-CA 3.3Å; P419-Y455 HydrophobicContact CB-CD1 4.2Å; P419-Y455 HydrophobicContact CB-CE1 4.15Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CE2 4.18Å
456R90.7Very high79.3Confident96 Ų9662.4 Ų62.436%0.36233%0.333SS..EExtended strand (participates in β ladder)trans-131.9148.1166.864.7-179.9177.1164.64.2109.8L417 S418 L458L417-R456 WeakPolarHBondContact CA-O 3.48Å; S418-R456 PolarHBondContact N-O 3.12Å; S418-R456 WeakPolarHBondContact O-CG 3.47Å; S418-R456 PolarHBondContact O-N 3Å; S418-R456 PolarHBondContact OG-NE 3.15Å; S418-R456 PolarHBondContact OG-NH2 3.47Å; R456-L458 HydrophobicContact CG-CD2 4.34Å
457C91.6Very high81.7Confident2 Ų255.9 Ų55.91%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-88.6133.9174.8-166.90000109.3A332 P375 L417A332-C457 HydrophobicContact CB-CB 4.36Å; P375-C457 WeakPolarHBondContact CB-O 3.49Å; P375-C457 WeakPolarHBondContact CG-O 3.33Å; L417-C457 HydrophobicContact CD2-CB 4.16Å
458L89.7Confident83.5Confident83 Ų8351.4 Ų51.444%0.43528%0.275SS..  trans-102.64.5-178.3-67-178.2000113.6G415 L416 R456G415-L458 WeakPolarHBondContact O-CD1 3.43Å; L416-L458 PolarHBondContact O-N 3.1Å; L416-L458 VanDerWaalsContact O-N 3.07Å; R456-L458 HydrophobicContact CG-CD2 4.34Å
459I89Confident84.8Confident15 Ų1553.6 Ų53.68%0.07728%0.282CS..  trans-86.3142.2-171.9-64.3176.3000110.8L329 F333 L416 I463L329-I459 HydrophobicContact CD1-CD1 3.45Å; L329-I459 VanDerWaalsContact CD1-CD1 3.45Å; L329-I459 HydrophobicContact CD2-CD1 3.08Å; L329-I459 HydrophobicContact CG-CD1 3.32Å; F333-I459 WeakPolarHBondContact CE2-O 3.44Å; L416-I459 HydrophobicContact CB-CD1 4.17Å; L416-I459 HydrophobicContact CD2-CD1 3.95Å; L416-I459 HydrophobicContact CD2-CG1 4.11Å; I459-I463 HydrophobicContact CG2-CB 3.46Å; I459-I463 VanDerWaalsContact CG2-CB 3.46Å; I459-I463 HydrophobicContact CG2-CD1 4.38Å; I459-I463 HydrophobicContact CG2-CG2 3.43Å; I459-I463 VanDerWaalsContact CG2-CG2 3.43Å
460S87.8Confident86.1Confident53 Ų5353.6 Ų53.637%0.37128%0.283SS..  trans-72.4156.9175.369.70000112.1E462 I463 A464S460-E462 PolarHBondContact O-N 3.07Å; S460-I463 PolarHBondContact O-N 3.29Å; S460-I463 WeakPolarHBondContact OG-CG1 3.38Å; S460-I463 PolarHBondContact OG-N 3.31Å; S460-A464 PolarHBondContact O-N 3.08Å
461L87.4Confident87Confident48 Ų4848 Ų4825%0.25126%0.255SS..Hα-helixtrans-57-33.3175.4-179.763.7000112.4F333 A464 K465 L479F333-L461 HydrophobicContact CE1-CD1 3.86Å; F333-L461 HydrophobicContact CZ-CB 4.15Å; F333-L461 HydrophobicContact CZ-CD1 3.71Å; L461-A464 PolarHBondContact O-N 2.94Å; L461-K465 HydrophobicContact CD1-CG 4.42Å; L461-K465 HydrophobicContact CG-CD 4.26Å; L461-K465 WeakPolarHBondContact O-CB 3.41Å; L461-K465 VanDerWaalsContact O-CG 3.26Å; L461-K465 WeakPolarHBondContact O-CG 3.26Å; L461-K465 PolarHBondContact O-N 3.04Å; L461-L479 HydrophobicContact CD1-CD1 3.83Å
462E86.4Confident87.7Confident139 Ų13952.2 Ų52.265%0.6527%0.267SS*.Hα-helixtrans-65.1-45.2178.8-64-178.2178.100112.4S460 K465 S466S460-E462 PolarHBondContact O-N 3.07Å; E462-K465 PolarHBondContact O-N 3.19Å; E462-S466 PolarHBondContact O-N 3.22Å
463I87.9Confident88Confident33 Ų3351.8 Ų51.817%0.16926%0.263CS..Hα-helixtrans-70.3-38.8176.9-62.6166.5000109.9N317 L319 I459 S460 K465 S466 I467N317-I463 HydrophobicContact CB-CG1 4.3Å; L319-I463 HydrophobicContact CD1-CG2 4.06Å; I459-I463 HydrophobicContact CG2-CB 3.46Å; I459-I463 VanDerWaalsContact CG2-CB 3.46Å; I459-I463 HydrophobicContact CG2-CD1 4.38Å; I459-I463 HydrophobicContact CG2-CG2 3.43Å; I459-I463 VanDerWaalsContact CG2-CG2 3.43Å; S460-I463 PolarHBondContact O-N 3.29Å; S460-I463 WeakPolarHBondContact OG-CG1 3.38Å; S460-I463 PolarHBondContact OG-N 3.31Å; I463-K465 VanDerWaalsContact C-N 3.28Å; I463-K465 PolarHBondContact O-N 3.33Å; I463-S466 PolarHBondContact O-N 2.89Å; I463-S466 PolarHBondContact O-OG 3.45Å; I463-I467 HydrophobicContact CG2-CD1 3.8Å; I463-I467 HydrophobicContact CG2-CG1 4.35Å; I463-I467 VanDerWaalsContact O-CG1 3.26Å; I463-I467 WeakPolarHBondContact O-CG1 3.37Å; I463-I467 PolarHBondContact O-N 2.85Å
464A88.8Confident88.1Confident5 Ų555.8 Ų55.84%0.04128%0.284CS..Hα-helixtrans-61.1-39.3175.200000111.7F333 S460 L461 A468 L475F333-A464 HydrophobicContact CD1-CB 4Å; F333-A464 HydrophobicContact CD2-CB 3.8Å; F333-A464 HydrophobicContact CE1-CB 4.14Å; F333-A464 HydrophobicContact CE2-CB 3.94Å; F333-A464 HydrophobicContact CG-CB 3.83Å; F333-A464 HydrophobicContact CZ-CB 4.12Å; S460-A464 PolarHBondContact O-N 3.08Å; L461-A464 PolarHBondContact O-N 2.94Å; A464-A468 VanDerWaalsContact O-CB 3.24Å; A464-A468 WeakPolarHBondContact O-CB 3.41Å; A464-A468 PolarHBondContact O-N 3.31Å; A464-L475 HydrophobicContact CB-CD2 3.69Å
465K88.8Confident87.9Confident70 Ų7052.6 Ų52.630%0.30427%0.27SS..Hα-helixtrans-65.5-43.7173.6-77.2173.9178.4-1800112.5L461 E462 I463 I467 A468 Q469L461-K465 HydrophobicContact CD1-CG 4.42Å; L461-K465 HydrophobicContact CG-CD 4.26Å; L461-K465 WeakPolarHBondContact O-CB 3.41Å; L461-K465 VanDerWaalsContact O-CG 3.26Å; L461-K465 WeakPolarHBondContact O-CG 3.26Å; L461-K465 PolarHBondContact O-N 3.04Å; E462-K465 PolarHBondContact O-N 3.19Å; I463-K465 VanDerWaalsContact C-N 3.28Å; I463-K465 PolarHBondContact O-N 3.33Å; K465-I467 VanDerWaalsContact C-N 3.32Å; K465-I467 PolarHBondContact O-N 3.48Å; K465-A468 PolarHBondContact O-N 3.44Å; K465-Q469 WeakPolarHBondContact O-CB 3.29Å; K465-Q469 VanDerWaalsContact O-CG 3.29Å; K465-Q469 WeakPolarHBondContact O-CG 3.41Å; K465-Q469 PolarHBondContact O-N 3.49Å
466S88.4Confident87.6Confident36 Ų3654.9 Ų54.925%0.25228%0.282SS..Hα-helixtrans-64-39.5178.470.20000111.7E462 I463 S470E462-S466 PolarHBondContact O-N 3.22Å; I463-S466 PolarHBondContact O-N 2.89Å; I463-S466 PolarHBondContact O-OG 3.45Å; S466-S470 PolarHBondContact O-N 3.44Å; S466-S470 VanDerWaalsContact O-N 3.09Å
467I89.4Confident87Confident7 Ų752.8 Ų52.84%0.03628%0.282CS..Hα-helixtrans-66.8-44.3175.1-65.4171.6000110.5L321 R326 L329 I330 I463 K465 Q469 S470 V471L321-I467 HydrophobicContact CD1-CD1 4.11Å; R326-I467 HydrophobicContact CB-CG2 3.7Å; R326-I467 HydrophobicContact CG-CG2 3.88Å; L329-I467 HydrophobicContact CD2-CD1 3.56Å; I330-I467 HydrophobicContact CD1-CG2 4.14Å; I330-I467 HydrophobicContact CG1-CG2 4.1Å; I463-I467 HydrophobicContact CG2-CD1 3.8Å; I463-I467 HydrophobicContact CG2-CG1 4.35Å; I463-I467 VanDerWaalsContact O-CG1 3.26Å; I463-I467 WeakPolarHBondContact O-CG1 3.37Å; I463-I467 PolarHBondContact O-N 2.85Å; K465-I467 VanDerWaalsContact C-N 3.32Å; K465-I467 PolarHBondContact O-N 3.48Å; I467-Q469 PolarHBondContact O-N 3.12Å; I467-S470 WeakPolarHBondContact O-CB 3.31Å; I467-S470 PolarHBondContact O-N 3.29Å; I467-S470 VanDerWaalsContact O-N 3.11Å; I467-S470 PolarHBondContact O-OG 3.18Å; I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.95Å
468A88.9Confident86.3Confident2 Ų256 Ų562%0.01730%0.297CS..Hα-helixtrans-62.8-40.5178.200000112.3I330 A464 K465 S470 V471 D472 F473 L475I330-A468 HydrophobicContact CD1-CB 4.16Å; A464-A468 VanDerWaalsContact O-CB 3.24Å; A464-A468 WeakPolarHBondContact O-CB 3.41Å; A464-A468 PolarHBondContact O-N 3.31Å; K465-A468 PolarHBondContact O-N 3.44Å; A468-S470 VanDerWaalsContact C-N 3.3Å; A468-S470 PolarHBondContact O-N 3.02Å; A468-V471 CarbonylContact O-C 3.49Å; A468-V471 PolarHBondContact O-N 3.23Å; A468-V471 VanDerWaalsContact O-N 3.16Å; A468-D472 PolarHBondContact O-N 2.84Å; A468-D472 VanDerWaalsContact O-N 3.14Å; A468-F473 HydrophobicContact CB-CB 4.46Å; A468-F473 HydrophobicContact CB-CD1 4.38Å; A468-F473 WeakPolarHBondContact CB-O 3.19Å; A468-F473 PolarHBondContact O-N 3.04Å; A468-L475 HydrophobicContact CB-CB 3.86Å
469Q88Confident85.8Confident147 Ų14752.4 Ų52.469%0.68728%0.279SS*.Hα-helixtrans-62.4-34.4172.4-74.5173.9-3.400112.6K465 I467 V471 D472K465-Q469 WeakPolarHBondContact O-CB 3.29Å; K465-Q469 VanDerWaalsContact O-CG 3.29Å; K465-Q469 WeakPolarHBondContact O-CG 3.41Å; K465-Q469 PolarHBondContact O-N 3.49Å; I467-Q469 PolarHBondContact O-N 3.12Å; Q469-V471 PolarHBondContact O-N 2.91Å; Q469-D472 PolarHBondContact O-N 3.01Å
470S87.5Confident84.7Confident47 Ų4753.9 Ų53.933%0.32929%0.288SS..THydrogen-bonded Turntrans-69.3-10177.481.50000114.4R326 S466 I467 A468R326-S470 VanDerWaalsContact CD-OG 3.3Å; R326-S470 WeakPolarHBondContact CD-OG 2.97Å; R326-S470 PolarHBondContact NH1-O 3.42Å; R326-S470 PolarHBondContact NH1-OG 3.49Å; S466-S470 PolarHBondContact O-N 3.44Å; S466-S470 VanDerWaalsContact O-N 3.09Å; I467-S470 WeakPolarHBondContact O-CB 3.31Å; I467-S470 PolarHBondContact O-N 3.29Å; I467-S470 VanDerWaalsContact O-N 3.11Å; I467-S470 PolarHBondContact O-OG 3.18Å; A468-S470 VanDerWaalsContact C-N 3.3Å; A468-S470 PolarHBondContact O-N 3.02Å
471V85.9Confident83.2Confident10 Ų1052.8 Ų52.86%0.06128%0.277CS..THydrogen-bonded Turntrans-125.812.8-176.8-166.60000110.6Y323 R326 F327 I467 A468 Q469 F473Y323-V471 HydrophobicContact CE2-CG1 3.9Å; R326-V471 HydrophobicContact CB-CG2 3.84Å; R326-V471 HydrophobicContact CG-CG2 4.48Å; F327-V471 HydrophobicContact CD1-CG1 4.43Å; F327-V471 HydrophobicContact CD2-CG1 3.98Å; F327-V471 HydrophobicContact CE1-CG1 3.73Å; F327-V471 HydrophobicContact CE2-CG1 3.22Å; F327-V471 HydrophobicContact CZ-CB 4.44Å; F327-V471 HydrophobicContact CZ-CG1 3.07Å; I467-V471 WeakPolarHBondContact O-CG2 3.45Å; I467-V471 PolarHBondContact O-N 2.95Å; A468-V471 CarbonylContact O-C 3.49Å; A468-V471 PolarHBondContact O-N 3.23Å; A468-V471 VanDerWaalsContact O-N 3.16Å; Q469-V471 PolarHBondContact O-N 2.91Å; V471-F473 PolarHBondContact O-N 2.91Å; V471-F473 VanDerWaalsContact O-N 3.11Å
472D85.1Confident81.4Confident160 Ų16055.5 Ų55.586%0.85629%0.292SS*.THydrogen-bonded Turntrans52.132.1-178.2-62-39.9000114.6A468 Q469A468-D472 PolarHBondContact O-N 2.84Å; A468-D472 VanDerWaalsContact O-N 3.14Å; Q469-D472 PolarHBondContact O-N 3.01Å
473F85Confident79.2Confident37 Ų3751.6 Ų51.616%0.16228%0.279CS..  trans-100.4125.3179.8-176-102.3000111.8I330 M334 L390 A468 V471 L475 H478I330-F473 HydrophobicContact CD1-CD1 4.46Å; I330-F473 HydrophobicContact CG2-CD1 3.81Å; I330-F473 HydrophobicContact CG2-CE1 3.71Å; M334-F473 HydrophobicContact SD-CE1 4.12Å; M334-F473 HydrophobicContact SD-CZ 4.22Å; L390-F473 HydrophobicContact CD2-CD2 4.5Å; L390-F473 HydrophobicContact CD2-CE1 4.36Å; L390-F473 HydrophobicContact CD2-CE2 3.47Å; L390-F473 VanDerWaalsContact CD2-CE2 3.47Å; L390-F473 HydrophobicContact CD2-CZ 3.38Å; A468-F473 HydrophobicContact CB-CB 4.46Å; A468-F473 HydrophobicContact CB-CD1 4.38Å; A468-F473 WeakPolarHBondContact CB-O 3.19Å; A468-F473 PolarHBondContact O-N 3.04Å; V471-F473 PolarHBondContact O-N 2.91Å; V471-F473 VanDerWaalsContact O-N 3.11Å; F473-L475 HydrophobicContact CD1-CB 4.26Å; F473-L475 HydrophobicContact CE1-CB 4.35Å; F473-L475 HydrophobicContact CE1-CD1 4.29Å; F473-L475 PolarHBondContact O-N 3.23Å; F473-L475 VanDerWaalsContact O-N 3.08Å; F473-H478 AromaticContact CE2-CD2 3.89Å; F473-H478 AromaticContact CE2-NE2 3.89Å; F473-H478 AromaticContact CZ-CD2 3.3Å; F473-H478 WeakPolarHBondContact CZ-CD2 3.4Å; F473-H478 AromaticContact CZ-NE2 3.75Å
474D85.2Confident76.5Confident97 Ų9757.1 Ų57.152%0.51931%0.309SS..  trans-82.684.8175.2-176.710.6000112L476 S477 H478D474-L476 VanDerWaalsContact C-N 3.3Å; D474-L476 PolarHBondContact O-N 3.37Å; D474-L476 PolarHBondContact OD1-N 3.45Å; D474-S477 PolarHBondContact O-OG 3.46Å; D474-S477 WeakPolarHBondContact OD2-CB 3.08Å; D474-H478 PolarHBondContact O-CD2 2.99Å
475L85Confident73.8Confident4 Ų465.6 Ų65.62%0.02137%0.368CS..Hα-helixtrans-58.9-36.9178.7178.460.1000113.4I330 F333 M334 A464 A468 F473 S477 H478 L479I330-L475 HydrophobicContact CG2-CD1 4.16Å; F333-L475 HydrophobicContact CD1-CD1 4.26Å; F333-L475 HydrophobicContact CD1-CD2 4.03Å; F333-L475 HydrophobicContact CE1-CD2 4.11Å; M334-L475 HydrophobicContact CG-CD1 3.74Å; M334-L475 HydrophobicContact SD-CD1 4.19Å; A464-L475 HydrophobicContact CB-CD2 3.69Å; A468-L475 HydrophobicContact CB-CB 3.86Å; F473-L475 HydrophobicContact CD1-CB 4.26Å; F473-L475 HydrophobicContact CE1-CB 4.35Å; F473-L475 HydrophobicContact CE1-CD1 4.29Å; F473-L475 PolarHBondContact O-N 3.23Å; F473-L475 VanDerWaalsContact O-N 3.08Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 2.85Å; L475-H478 PolarHBondContact O-N 3.17Å; L475-H478 VanDerWaalsContact O-N 3.13Å; L475-L479 HydrophobicContact CD1-CD1 4.42Å; L475-L479 HydrophobicContact CD1-CD2 4.42Å; L475-L479 HydrophobicContact CD1-CG 4.28Å; L475-L479 HydrophobicContact CG-CD1 4.02Å; L475-L479 HydrophobicContact CG-CG 4.34Å; L475-L479 PolarHBondContact O-N 3.36Å
476L82.7Confident73Confident61 Ų6165.4 Ų65.432%0.31937%0.371SS..Hα-helixtrans-65.8-36.4-172.7-77.3165.1000111.8D474 H478 L479D474-L476 VanDerWaalsContact C-N 3.3Å; D474-L476 PolarHBondContact O-N 3.37Å; D474-L476 PolarHBondContact OD1-N 3.45Å; L476-H478 PolarHBondContact O-N 2.83Å; L476-L479 PolarHBondContact O-N 3.16Å
477S79.1Confident72.2Confident52 Ų5266.9 Ų66.936%0.36438%0.377SS..Hα-helixtrans-61.5-25.4176.872.80000114D474 L475D474-S477 PolarHBondContact O-OG 3.46Å; D474-S477 WeakPolarHBondContact OD2-CB 3.08Å; L475-S477 VanDerWaalsContact C-N 3.32Å; L475-S477 PolarHBondContact O-N 2.85Å
478H77Confident71.3Confident70 Ų7070.2 Ų70.232%0.32440%0.396SS..Hα-helixtrans-98.8-9.2-175.3-72.5-72.6000113.8M334 N338 L346 F473 D474 L475 L476M334-H478 HydrophobicContact CE-CB 3.64Å; M334-H478 HydrophobicContact SD-CB 4.24Å; N338-H478 PolarHBondContact ND2-O 3.5Å; L346-H478 HydrophobicContact CD2-CB 4.3Å; L346-H478 WeakPolarHBondContact CD2-ND1 3.32Å; F473-H478 AromaticContact CE2-CD2 3.89Å; F473-H478 AromaticContact CE2-NE2 3.89Å; F473-H478 AromaticContact CZ-CD2 3.3Å; F473-H478 WeakPolarHBondContact CZ-CD2 3.4Å; F473-H478 AromaticContact CZ-NE2 3.75Å; D474-H478 PolarHBondContact O-CD2 2.99Å; L475-H478 PolarHBondContact O-N 3.17Å; L475-H478 VanDerWaalsContact O-N 3.13Å; L476-H478 PolarHBondContact O-N 2.83Å
479L77.5Confident70.3Confident8 Ų874.2 Ų74.24%0.04242%0.419CS..SBendtrans-85.2148.5172.4-64.8172.5000110.4F333 H337 L461 L475 L476 E481F333-L479 HydrophobicContact CD1-CD2 4.34Å; F333-L479 HydrophobicContact CE1-CD1 3.99Å; F333-L479 HydrophobicContact CE1-CD2 4.03Å; H337-L479 HydrophobicContact CB-CD2 4.27Å; L461-L479 HydrophobicContact CD1-CD1 3.83Å; L475-L479 HydrophobicContact CD1-CD1 4.42Å; L475-L479 HydrophobicContact CD1-CD2 4.42Å; L475-L479 HydrophobicContact CD1-CG 4.28Å; L475-L479 HydrophobicContact CG-CD1 4.02Å; L475-L479 HydrophobicContact CG-CG 4.34Å; L475-L479 PolarHBondContact O-N 3.36Å; L476-L479 PolarHBondContact O-N 3.16Å; L479-E481 HydrophobicContact CB-CB 4.28Å; L479-E481 PolarHBondContact O-N 3.4Å
480T67Low69.1Low45 Ų4569.7 Ų69.728%0.27640%0.402SS..SBendtrans-57.8-29.3170.140.50000113.8N338 P339 L342 N482N338-T480 PolarHBondContact OD1-N 2.78Å; P339-T480 HydrophobicContact CG-CG2 4.21Å; L342-T480 HydrophobicContact CD1-CG2 2.84Å; L342-T480 HydrophobicContact CG-CG2 4.26Å; T480-N482 PolarHBondContact O-N 2.94Å; T480-N482 VanDerWaalsContact O-N 3.11Å
481E57.2Low67.9Low30 Ų3071.2 Ų71.214%0.1441%0.407CS..  trans-73.882.2174-71.2166.3-153.700109.2L479 C483L479-E481 HydrophobicContact CB-CB 4.28Å; L479-E481 PolarHBondContact O-N 3.4Å; E481-C483 PolarHBondContact O-N 3.44Å
482N47.6Very low66.6Low106 Ų10675.6 Ų75.657%0.56743%0.432SS*.  trans-67.580148.5-89.629.4000106.5T480 N484T480-N482 PolarHBondContact O-N 2.94Å; T480-N482 VanDerWaalsContact O-N 3.11Å; N482-N484 PolarHBondContact O-N 3.12Å
483C41.7Very low65.2Low56 Ų5669.1 Ų69.138%0.37840%0.399SS..  trans-69.868.9164.5-75.50000108.5E481E481-C483 PolarHBondContact O-N 3.44Å
484N29.9Very low63.6Low150 Ų15071.8 Ų71.880%0.80242%0.419SS*.  trans-94.382.3155.7-72.25.5000106.1N482N482-N484 PolarHBondContact O-N 3.12Å
485S32.8Very low61.6Low182 Ų18269.5 Ų69.5100%1.27341%0.41SS*.  trans-89.20145.848.20000108

Retrieved 485 of 485 residues in 158 ms (Link to these results)

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