A0A096M3U9_POEFO Loading...

Ribose-phosphate pyrophosphokinase 1

Catalyzes the synthesis of phosphoribosylpyrophosphate (PRPP) that is essential for nucleotide synthesis.

AlphaFold DB , UniProt , Accession A0A096M3U9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1K41.3Very low71Confident262 Ų262130.6 Ų130.6100%1.13958%0.583SS**  0104.90-74.8178.3175.1178.80107.7R3K1-R3 PolarHBondContact O-N 3.13Å; K1-R3 VanDerWaalsContact O-N 3.13Å
2R44.2Very low73.3Confident248 Ų248119.8 Ų119.894%0.93653%0.534SS*.  trans-60.6115.1175.4-82.2179.5170.1175.5-3.3107.2N4R2-N4 PolarHBondContact O-N 3.05Å
3R45.8Very low75.2Confident243 Ų243111.5 Ų111.592%0.91750%0.5SS*.  trans-57.6109.1164-116.2173.2163.6171-7.4104.8K1 K5K1-R3 PolarHBondContact O-N 3.13Å; K1-R3 VanDerWaalsContact O-N 3.13Å; R3-K5 VanDerWaalsContact C-N 3.33Å; R3-K5 PolarHBondContact O-N 2.9Å
4N54.6Low76.7Confident160 Ų160103.9 Ų103.986%0.85647%0.467SS*.  trans-61.3103.5170.6-116.911000105.5R2 M6R2-N4 PolarHBondContact O-N 3.05Å; N4-M6 PolarHBondContact O-N 3.26Å
5K63.5Low77.9Confident181 Ų181101.1 Ų101.179%0.78747%0.465SS*.PPolyproline II helixtrans-64.6120.7173-168.6179.3179.1-172.80105.1R3R3-K5 VanDerWaalsContact C-N 3.33Å; R3-K5 PolarHBondContact O-N 2.9Å
6M70.4Confident78.9Confident115 Ų11595.6 Ų95.657%0.56744%0.442SS*.PPolyproline II helixtrans-56.6137.1173.9-71-162.1-63.600108N4N4-M6 PolarHBondContact O-N 3.26Å
7P77.8Confident79.8Confident48 Ų4890.2 Ų90.231%0.31242%0.417SS..PPolyproline II helixtrans-56.2151.5174.425.2-33.1000109.2G55 D57 H309P7-G55 WeakPolarHBondContact CB-O 3.26Å; P7-D57 HydrophobicContact CB-CB 4.24Å; P7-D57 HydrophobicContact CG-CB 4.01Å; P7-H309 PolarHBondContact O-CE1 2.98Å; P7-H309 PolarHBondContact O-NE2 3.46Å
8N90.9Very high80.6Confident88 Ų8889.5 Ų89.547%0.47142%0.422SS..PPolyproline II helixtrans-76.2150.7172.7-49.8-57.8000108.9E56 D57N8-E56 VanDerWaalsContact CA-OE2 3.25Å; N8-E56 WeakPolarHBondContact CA-OE2 3.32Å; N8-E56 WeakPolarHBondContact CB-OE2 3.41Å; N8-E56 PolarHBondContact N-OE2 2.89Å; N8-E56 PolarHBondContact ND2-OE1 3.06Å; N8-E56 PolarHBondContact ND2-OE2 3.06Å; N8-D57 PolarHBondContact O-N 2.73Å
9I96.6Very high81.5Confident31 Ų3188.1 Ų88.116%0.15942%0.417CS..EExtended strand (participates in β ladder)trans-79.2135.8173.1-179.1165.7000110.5I11 L28 L30 D57 Y59 I305I9-I11 HydrophobicContact CG1-CG1 4.4Å; I9-L28 HydrophobicContact CD1-CD1 4.37Å; I9-L30 HydrophobicContact CB-CD1 4.35Å; I9-L30 HydrophobicContact CD1-CD1 4.03Å; I9-L30 HydrophobicContact CG1-CD1 3.93Å; I9-L30 HydrophobicContact CG2-CD1 3.58Å; I9-L30 HydrophobicContact CG2-CD2 4.05Å; I9-L30 HydrophobicContact CG2-CG 4.45Å; I9-D57 WeakPolarHBondContact CA-O 3.2Å; I9-Y59 HydrophobicContact CD1-CD2 4.1Å; I9-Y59 HydrophobicContact CD1-CE2 3.93Å; I9-Y59 HydrophobicContact CG1-CD2 3.89Å; I9-Y59 HydrophobicContact CG1-CE2 3.89Å; I9-I305 HydrophobicContact CD1-CG2 3.49Å; I9-I305 VanDerWaalsContact CD1-CG2 3.49Å
10K97.9Very high82.3Confident60 Ų6083.7 Ų83.726%0.26140%0.396SS..EExtended strand (participates in β ladder)trans-131.7134.6171.7-73.8-70.7-179.6176.20110.3F12 E51 E56 D57 V58 Y59K10-F12 HydrophobicContact CB-CE2 3.99Å; K10-E51 VanDerWaalsContact CE-OE2 3.26Å; K10-E51 WeakPolarHBondContact CE-OE2 3.41Å; K10-E51 IonicContact NZ-OE2 2.68Å; K10-E51 PolarHBondContact NZ-OE2 3.45Å; K10-E56 HydrophobicContact CG-CB 4.1Å; K10-E56 HydrophobicContact CG-CG 4.24Å; K10-D57 PolarHBondContact N-O 3.17Å; K10-V58 HydrophobicContact CB-CG2 4.42Å; K10-V58 CarbonylContact O-C 3.54Å; K10-V58 WeakPolarHBondContact O-CA 3.41Å; K10-Y59 PolarHBondContact O-N 2.93Å
11I98.4Very high83Confident1 Ų179.7 Ų79.71%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-119.3126179.8-55.3-179.9000108.7I9 I24 L28 L30 L32 G33 Y59 V61I9-I11 HydrophobicContact CG1-CG1 4.4Å; I11-I24 HydrophobicContact CD1-CG2 4.22Å; I11-L28 HydrophobicContact CD1-CD1 3.41Å; I11-L28 VanDerWaalsContact CD1-CD1 3.41Å; I11-L30 HydrophobicContact CD1-CD1 3.81Å; I11-L30 HydrophobicContact CG1-CD1 4.15Å; I11-L32 HydrophobicContact CB-CD2 4.31Å; I11-L32 HydrophobicContact CG2-CD2 3.8Å; I11-G33 PolarHBondContact O-N 3.09Å; I11-Y59 CarbonylContact C-O 3.5Å; I11-Y59 WeakPolarHBondContact CA-O 3.41Å; I11-V61 HydrophobicContact CG2-CG2 4.03Å
12F98.5Very high85.7Confident0 Ų070.9 Ų70.90%034%0.34CS..EExtended strand (participates in β ladder)trans-115.4143.6172.7-64.3-89.6000109.7K10 V35 I49 E51 V53 V58 Y59 I60 V61 M78K10-F12 HydrophobicContact CB-CE2 3.99Å; F12-V35 HydrophobicContact CD1-CB 4.16Å; F12-I49 HydrophobicContact CE1-CG2 3.87Å; F12-I49 HydrophobicContact CZ-CG2 3.82Å; F12-E51 HydrophobicContact CE1-CG 4.28Å; F12-E51 HydrophobicContact CZ-CG 4.13Å; F12-V53 HydrophobicContact CE2-CG1 3.64Å; F12-V53 HydrophobicContact CZ-CG1 3.52Å; F12-V58 HydrophobicContact CD2-CG1 3.72Å; F12-V58 HydrophobicContact CE2-CG1 3.89Å; F12-Y59 PolarHBondContact N-O 3.47Å; F12-I60 HydrophobicContact CB-CG1 4.49Å; F12-I60 WeakPolarHBondContact O-CA 3.44Å; F12-V61 PolarHBondContact O-N 3.42Å; F12-M78 HydrophobicContact CB-CE 3.7Å
13S98.1Very high88.3Confident13 Ų1362.2 Ų62.29%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-98.1134.5171.3-170.50000109.8S21S13-S21 VanDerWaalsContact CB-CB 3.41Å; S13-S21 WeakPolarHBondContact CB-OG 3.42Å; S13-S21 WeakPolarHBondContact OG-CB 3.18Å; S13-S21 PolarHBondContact OG-OG 3.05Å
14G95.9Very high90.8Very high4 Ų450.7 Ų50.74%0.04127%0.266CS..  trans-77.5-177.2155.600000111.5V61 Q62G14-V61 PolarHBondContact N-O 3.39Å; G14-Q62 VanDerWaalsContact C-OE1 3.31Å; G14-Q62 VanDerWaalsContact CA-OE1 3.31Å
15S95.2Very high92.9Very high63 Ų6343 Ų4344%0.44123%0.225SC..SBendtrans-80.4-16.4-176.863.30000114.4H17 N71 E74S15-H17 PolarHBondContact O-N 2.76Å; S15-N71 PolarHBondContact OG-OD1 2.79Å; S15-E74 VanDerWaalsContact CB-OE2 3.28Å; S15-E74 WeakPolarHBondContact CB-OE2 3.22Å; S15-E74 PolarHBondContact N-OE2 2.94Å; S15-E74 PolarHBondContact OG-OE1 2.83Å; S15-E74 PolarHBondContact OG-OE2 3.47Å
16S93.6Very high94.6Very high12 Ų1239.1 Ų39.18%0.08421%0.213CC..SBendtrans-67.4-33.6-173.865.30000114.6Q62 S63 P281S16-Q62 PolarHBondContact OG-OE1 3.22Å; S16-S63 WeakPolarHBondContact CB-O 3.46Å; S16-S63 PolarHBondContact OG-N 3.28Å; S16-S63 PolarHBondContact OG-O 3.21Å; S16-P281 WeakPolarHBondContact O-CG 3.41Å
17H93.1Very high95.9Very high4 Ų439.1 Ų39.12%0.01921%0.206CC..  trans-155.465.1-173.5-155.5-15.4000113.8S15 D19 L20 S21 N278 P281S15-H17 PolarHBondContact O-N 2.76Å; H17-D19 VanDerWaalsContact C-N 3.31Å; H17-D19 PolarHBondContact O-N 3.46Å; H17-L20 HydrophobicContact CB-CB 4.3Å; H17-L20 WeakPolarHBondContact ND1-CB 3.08Å; H17-L20 PolarHBondContact ND1-N 3.26Å; H17-L20 PolarHBondContact O-N 2.92Å; H17-S21 PolarHBondContact O-N 2.77Å; H17-S21 PolarHBondContact O-OG 2.86Å; H17-N278 PolarHBondContact CD2-O 3.04Å; H17-N278 PolarHBondContact NE2-O 2.89Å; H17-P281 HydrophobicContact CB-CG 4.16Å; H17-P281 VanDerWaalsContact CD2-CD 3.42Å; H17-P281 WeakPolarHBondContact CD2-CD 3.25Å
18P94.9Very high96.8Very high78 Ų7838.8 Ų38.851%0.50620%0.202SC..Hα-helixtrans-60.1-35.2-177.623.4-33.8000114.1S21 Q22P18-S21 PolarHBondContact O-N 3.39Å; P18-Q22 WeakPolarHBondContact O-CB 3.33Å; P18-Q22 PolarHBondContact O-N 2.81Å
19D97.1Very high97.1Very high63 Ų6337.9 Ų37.934%0.33721%0.213SC..Hα-helixtrans-60.1-47.1177.4174.980.3000112.6H17 S21 Q22 K23H17-D19 VanDerWaalsContact C-N 3.31Å; H17-D19 PolarHBondContact O-N 3.46Å; D19-S21 PolarHBondContact O-N 3.03Å; D19-Q22 PolarHBondContact O-N 3.45Å; D19-K23 WeakPolarHBondContact O-CG 3.24Å; D19-K23 PolarHBondContact O-N 3.28Å; D19-K23 IonicContact OD1-NZ 3.27Å; D19-K23 VanDerWaalsContact OD2-CE 3.23Å; D19-K23 WeakPolarHBondContact OD2-CE 3.42Å; D19-K23 IonicContact OD2-NZ 3.15Å; D19-K23 PolarHBondContact OD2-NZ 3.04Å
20L97.8Very high97.1Very high0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-64.9-42.6178.5177.464.4000111H17 Q22 K23 I24 P95 I297 L301H17-L20 HydrophobicContact CB-CB 4.3Å; H17-L20 WeakPolarHBondContact ND1-CB 3.08Å; H17-L20 PolarHBondContact ND1-N 3.26Å; H17-L20 PolarHBondContact O-N 2.92Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 2.75Å; L20-K23 PolarHBondContact O-N 3.16Å; L20-I24 HydrophobicContact CD1-CD1 4.17Å; L20-I24 HydrophobicContact CD1-CG1 4.36Å; L20-I24 HydrophobicContact CG-CD1 3.9Å; L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.42Å; L20-P95 HydrophobicContact CD2-CB 4.12Å; L20-P95 HydrophobicContact CD2-CG 3.61Å; L20-I297 HydrophobicContact CD1-CD1 3.63Å; L20-I297 HydrophobicContact CD2-CD1 4.06Å; L20-I297 HydrophobicContact CG-CD1 4.49Å; L20-L301 HydrophobicContact CD1-CD1 4.31Å; L20-L301 HydrophobicContact CD2-CD1 3.94Å; L20-L301 HydrophobicContact CG-CD1 4.4Å
21S98.1Very high97.1Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-58.5-43.6176-54.90000111.7S13 H17 P18 D19 I24 A25 V61S13-S21 VanDerWaalsContact CB-CB 3.41Å; S13-S21 WeakPolarHBondContact CB-OG 3.42Å; S13-S21 WeakPolarHBondContact OG-CB 3.18Å; S13-S21 PolarHBondContact OG-OG 3.05Å; H17-S21 PolarHBondContact O-N 2.77Å; H17-S21 PolarHBondContact O-OG 2.86Å; P18-S21 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact O-N 3.03Å; S21-I24 PolarHBondContact O-N 2.87Å; S21-A25 PolarHBondContact O-N 2.84Å; S21-V61 WeakPolarHBondContact OG-CB 3.37Å; S21-V61 WeakPolarHBondContact OG-CG1 3.34Å
22Q98.2Very high97Very high77 Ų7746.3 Ų46.336%0.3626%0.255SS..Hα-helixtrans-64.5-47.1177.4-171.561.655.900111.2P18 D19 L20 I24 A25 D26 L32P18-Q22 WeakPolarHBondContact O-CB 3.33Å; P18-Q22 PolarHBondContact O-N 2.81Å; D19-Q22 PolarHBondContact O-N 3.45Å; L20-Q22 VanDerWaalsContact C-N 3.31Å; L20-Q22 PolarHBondContact O-N 2.75Å; Q22-I24 VanDerWaalsContact C-N 3.27Å; Q22-I24 PolarHBondContact O-N 3.16Å; Q22-A25 PolarHBondContact O-N 3Å; Q22-A25 VanDerWaalsContact O-N 3.08Å; Q22-D26 PolarHBondContact NE2-OD1 3.23Å; Q22-D26 PolarHBondContact O-N 2.79Å; Q22-L32 HydrophobicContact CB-CD1 4.33Å
23K98.4Very high97Very high66 Ų6646.6 Ų46.629%0.28726%0.258SS..Hα-helixtrans-58.4-38.6176.6-73.9172.1178.1160.50112.6D19 L20 R27D19-K23 WeakPolarHBondContact O-CG 3.24Å; D19-K23 PolarHBondContact O-N 3.28Å; D19-K23 IonicContact OD1-NZ 3.27Å; D19-K23 VanDerWaalsContact OD2-CE 3.23Å; D19-K23 WeakPolarHBondContact OD2-CE 3.42Å; D19-K23 IonicContact OD2-NZ 3.15Å; D19-K23 PolarHBondContact OD2-NZ 3.04Å; L20-K23 PolarHBondContact O-N 3.16Å; K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.3Å; K23-R27 PolarHBondContact O-N 2.89Å
24I98.5Very high96.9Very high0 Ų053 Ų530%029%0.285CS..Hα-helixtrans-64.7-46.3175-69.9164.8000110.5I11 L20 S21 Q22 R27 L28 V61 L301 A302 I305I11-I24 HydrophobicContact CD1-CG2 4.22Å; L20-I24 HydrophobicContact CD1-CD1 4.17Å; L20-I24 HydrophobicContact CD1-CG1 4.36Å; L20-I24 HydrophobicContact CG-CD1 3.9Å; L20-I24 VanDerWaalsContact O-CG1 3.25Å; L20-I24 WeakPolarHBondContact O-CG1 3.47Å; L20-I24 PolarHBondContact O-N 3.42Å; S21-I24 PolarHBondContact O-N 2.87Å; Q22-I24 VanDerWaalsContact C-N 3.27Å; Q22-I24 PolarHBondContact O-N 3.16Å; I24-R27 PolarHBondContact O-N 3.03Å; I24-L28 HydrophobicContact CG2-CD1 4.1Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.02Å; I24-V61 HydrophobicContact CD1-CG1 4.22Å; I24-V61 HydrophobicContact CD1-CG2 4.31Å; I24-L301 HydrophobicContact CD1-CB 3.77Å; I24-L301 HydrophobicContact CD1-CD1 3.71Å; I24-L301 HydrophobicContact CD1-CG 4.41Å; I24-L301 HydrophobicContact CG1-CB 4.04Å; I24-A302 HydrophobicContact CG2-CB 4.29Å; I24-I305 HydrophobicContact CG2-CD1 3.6Å
25A98.1Very high97Very high0 Ų054.7 Ų54.70%029%0.294CS..Hα-helixtrans-62.7-45.1179.500000111.8S21 Q22 R27 L28 G29 L30 L32S21-A25 PolarHBondContact O-N 2.84Å; Q22-A25 PolarHBondContact O-N 3Å; Q22-A25 VanDerWaalsContact O-N 3.08Å; A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 2.74Å; A25-L28 CarbonylContact O-C 3.51Å; A25-L28 PolarHBondContact O-N 3.39Å; A25-G29 PolarHBondContact O-N 2.96Å; A25-L30 CarbonylContact C-O 3.59Å; A25-L30 WeakPolarHBondContact CB-O 3.25Å; A25-L30 PolarHBondContact O-N 3.35Å; A25-L32 HydrophobicContact CB-CD2 3.84Å; A25-L32 HydrophobicContact CB-CG 4.07Å
26D98.2Very high97Very high98 Ų9855.4 Ų55.452%0.52430%0.295SS..Hα-helixtrans-58.3-44177.6-65.8-19000111.5Q22 L28 G29Q22-D26 PolarHBondContact NE2-OD1 3.23Å; Q22-D26 PolarHBondContact O-N 2.79Å; D26-L28 PolarHBondContact O-N 3.38Å; D26-G29 PolarHBondContact O-N 2.86Å
27R97.6Very high97Very high116 Ų11657.3 Ų57.344%0.43831%0.307SS..Hα-helixtrans-66.2-25.4177.9-72.5178.8-175.7-73.41.3113.5K23 I24 A25 D296 S298 M299 A302K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.3Å; K23-R27 PolarHBondContact O-N 2.89Å; I24-R27 PolarHBondContact O-N 3.03Å; A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 2.74Å; R27-D296 IonicContact CZ-OD2 3.68Å; R27-D296 IonicContact NH2-OD2 3.51Å; R27-D296 PolarHBondContact NH2-OD2 3.18Å; R27-S298 PolarHBondContact NE-OG 3.37Å; R27-M299 HydrophobicContact CG-SD 4.39Å; R27-A302 HydrophobicContact CB-CB 3.79Å
28L96.9Very high97.1Very high41 Ų4162.2 Ų62.222%0.21533%0.328CS..Hα-helixtrans-90.6-3.7175.1-68.8170.9000112.9I9 I11 I24 A25 D26 L30 A302 I305 R306I9-L28 HydrophobicContact CD1-CD1 4.37Å; I11-L28 HydrophobicContact CD1-CD1 3.41Å; I11-L28 VanDerWaalsContact CD1-CD1 3.41Å; I24-L28 HydrophobicContact CG2-CD1 4.1Å; I24-L28 WeakPolarHBondContact O-CG 3.46Å; I24-L28 PolarHBondContact O-N 3.02Å; A25-L28 CarbonylContact O-C 3.51Å; A25-L28 PolarHBondContact O-N 3.39Å; D26-L28 PolarHBondContact O-N 3.38Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 HydrophobicContact CB-CD1 3.86Å; L28-L30 HydrophobicContact CB-CG 4Å; L28-L30 HydrophobicContact CD1-CD1 4.49Å; L28-A302 HydrophobicContact CD1-CB 4.38Å; L28-A302 HydrophobicContact CD2-CB 4.32Å; L28-A302 HydrophobicContact CG-CB 4.02Å; L28-I305 HydrophobicContact CD1-CB 4.2Å; L28-I305 HydrophobicContact CD1-CG2 3.77Å; L28-R306 HydrophobicContact CD2-CB 3.89Å; L28-R306 HydrophobicContact CD2-CG 4.33Å
29G96.9Very high97.1Very high68 Ų6863.1 Ų63.170%0.70132%0.324SS*.THydrogen-bonded Turntrans66.633.2-175.100000112.7A25 D26A25-G29 PolarHBondContact O-N 2.96Å; D26-G29 PolarHBondContact O-N 2.86Å
30L97Very high97Very high50 Ų5064.3 Ų64.326%0.26233%0.326SS..  trans-118.8153.7-177.5-60173.5000110.7I9 I11 A25 L28I9-L30 HydrophobicContact CB-CD1 4.35Å; I9-L30 HydrophobicContact CD1-CD1 4.03Å; I9-L30 HydrophobicContact CG1-CD1 3.93Å; I9-L30 HydrophobicContact CG2-CD1 3.58Å; I9-L30 HydrophobicContact CG2-CD2 4.05Å; I9-L30 HydrophobicContact CG2-CG 4.45Å; I11-L30 HydrophobicContact CD1-CD1 3.81Å; I11-L30 HydrophobicContact CG1-CD1 4.15Å; A25-L30 CarbonylContact C-O 3.59Å; A25-L30 WeakPolarHBondContact CB-O 3.25Å; A25-L30 PolarHBondContact O-N 3.35Å; L28-L30 VanDerWaalsContact C-N 3.31Å; L28-L30 HydrophobicContact CB-CD1 3.86Å; L28-L30 HydrophobicContact CB-CG 4Å; L28-L30 HydrophobicContact CD1-CD1 4.49Å
31E97.5Very high96.9Very high175 Ų17570.2 Ų70.282%0.81837%0.367SS*.PPolyproline II helixtrans-89.8148.5163.5-65.4-17917500109.7G33E31-G33 PolarHBondContact O-N 2.92Å
32L98.1Very high96.8Very high44 Ų4474.6 Ų74.623%0.2339%0.391CS..PPolyproline II helixtrans-63.5135.3169.8-71.1177.8000110.1I11 Q22 A25I11-L32 HydrophobicContact CB-CD2 4.31Å; I11-L32 HydrophobicContact CG2-CD2 3.8Å; Q22-L32 HydrophobicContact CB-CD1 4.33Å; A25-L32 HydrophobicContact CB-CD2 3.84Å; A25-L32 HydrophobicContact CB-CG 4.07Å
33G97.1Very high96.7Very high7 Ų776.7 Ų76.77%0.07240%0.4CS..PPolyproline II helixtrans-62.3145174.800000111.4I11 E31 V35 E51I11-G33 PolarHBondContact O-N 3.09Å; E31-G33 PolarHBondContact O-N 2.92Å; G33-V35 PolarHBondContact O-N 2.99Å; G33-E51 WeakPolarHBondContact CA-OE1 3.01Å
34K96.7Very high96.6Very high148 Ų14879 Ų7964%0.64341%0.413SS*.PPolyproline II helixtrans-69.8118-178.6-62.1179.1-174.9178.20109.6G50 E51K34-G50 WeakPolarHBondContact O-CA 3.24Å; K34-G50 PolarHBondContact O-N 3.28Å; K34-E51 PolarHBondContact N-OE1 3.06Å
35V97.3Very high96.6Very high38 Ų3880.2 Ų80.223%0.2342%0.42CS..EExtended strand (participates in β ladder)trans-134.3138.9172.361.90000109.4F12 G33 T37 V47 E48 I49 M78F12-V35 HydrophobicContact CD1-CB 4.16Å; G33-V35 PolarHBondContact O-N 2.99Å; V35-T37 HydrophobicContact CG1-CG2 4.37Å; V35-T37 HydrophobicContact CG2-CG2 3.75Å; V35-V47 HydrophobicContact CG2-CG1 3.92Å; V35-E48 WeakPolarHBondContact CA-O 3.48Å; V35-I49 HydrophobicContact CG2-CD1 4.17Å; V35-M78 HydrophobicContact CG2-CE 4.29Å
36V96.1Very high96.6Very high79 Ų7981.6 Ų81.648%0.47943%0.429SS..EExtended strand (participates in β ladder)trans-104.3107.8169-178.90000107.5V47 E48V36-V47 CarbonylContact O-C 3.53Å; V36-V47 WeakPolarHBondContact O-CA 3.45Å; V36-E48 HydrophobicContact CB-CB 4.3Å; V36-E48 PolarHBondContact N-O 2.88Å; V36-E48 PolarHBondContact O-N 3.48Å
37T94Very high96.6Very high52 Ų5278 Ų7832%0.31941%0.41SS..EExtended strand (participates in β ladder)trans-109.4122.517454.10000109.3V35 C46 V47 E74V35-T37 HydrophobicContact CG1-CG2 4.37Å; V35-T37 HydrophobicContact CG2-CG2 3.75Å; T37-C46 WeakPolarHBondContact CA-O 3.44Å; T37-V47 HydrophobicContact CG2-CG2 4.35Å; T37-E74 WeakPolarHBondContact CB-OE1 3.17Å; T37-E74 HydrophobicContact CG2-CG 4.47Å
38K94.6Very high96.6Very high107 Ų10778.4 Ų78.447%0.46542%0.417SS..EExtended strand (participates in β ladder)trans-143.3158.8176.667.4-175.2177.5-171.40111C46K38-C46 HydrophobicContact CG-CB 3.78Å; K38-C46 PolarHBondContact N-O 2.97Å; K38-C46 PolarHBondContact O-N 2.86Å
39K95.1Very high96.6Very high97 Ų9778.1 Ų78.142%0.42242%0.416SS..EExtended strand (participates in β ladder)trans-102.4132.4166.5-76.2-171.7175.9-177.60110.7E44 D70K39-E44 CarbonylContact C-O 3.57Å; K39-E44 WeakPolarHBondContact CA-O 3.36Å; K39-D70 IonicContact NZ-OD1 3.78Å; K39-D70 IonicContact NZ-OD2 2.64Å; K39-D70 PolarHBondContact NZ-OD2 2.88Å
40F94.8Very high96.6Very high88 Ų8877.1 Ų77.139%0.38641%0.405SS..  trans-70.3164.9167.9-67.2-56.8000110.7N42 Q43 E44 C46F40-N42 VanDerWaalsContact CB-OD1 3.32Å; F40-N42 WeakPolarHBondContact CB-OD1 3.48Å; F40-N42 PolarHBondContact O-N 3.37Å; F40-N42 VanDerWaalsContact O-N 3.15Å; F40-Q43 PolarHBondContact O-N 3.28Å; F40-E44 HydrophobicContact CB-CB 4.39Å; F40-E44 HydrophobicContact CD2-CB 3.94Å; F40-E44 PolarHBondContact N-O 2.77Å; F40-C46 HydrophobicContact CD2-CB 4.03Å; F40-C46 HydrophobicContact CE1-CB 4.36Å; F40-C46 HydrophobicContact CE2-CB 3.46Å; F40-C46 VanDerWaalsContact CE2-CB 3.46Å; F40-C46 HydrophobicContact CZ-CB 3.64Å; F40-C46 VanDerWaalsContact CZ-SG 3.56Å
41S95.8Very high96.6Very high123 Ų12377.1 Ų77.186%0.8640%0.404SS*.THydrogen-bonded Turntrans-59.4-28.3-177.753.80000113.3Q43S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact O-N 2.73Å; S41-Q43 PolarHBondContact O-NE2 2.78Å
42N95.9Very high96.6Very high92 Ų9273 Ų7349%0.49240%0.395SS..THydrogen-bonded Turntrans-85.412.2175.872.7-25000114.1F40 E44F40-N42 VanDerWaalsContact CB-OD1 3.32Å; F40-N42 WeakPolarHBondContact CB-OD1 3.48Å; F40-N42 PolarHBondContact O-N 3.37Å; F40-N42 VanDerWaalsContact O-N 3.15Å; N42-E44 VanDerWaalsContact C-N 3.3Å; N42-E44 VanDerWaalsContact ND2-CD 3.27Å; N42-E44 PolarHBondContact ND2-OE1 2.91Å; N42-E44 PolarHBondContact O-N 3.36Å; N42-E44 PolarHBondContact OD1-N 2.81Å
43Q95.6Very high96.6Very high121 Ų12171 Ų7157%0.56538%0.384SS*.SBendtrans75.22.4179.9-47.5-56.6-52.100116.2F40 S41 T45F40-Q43 PolarHBondContact O-N 3.28Å; S41-Q43 VanDerWaalsContact C-N 3.27Å; S41-Q43 PolarHBondContact O-N 2.73Å; S41-Q43 PolarHBondContact O-NE2 2.78Å; Q43-T45 PolarHBondContact O-N 3.48Å
44E97.8Very high96.6Very high116 Ų11678.5 Ų78.554%0.54241%0.41SS..  trans-63.7135.9172-77.3176.1-154.500111.4K39 F40 N42K39-E44 CarbonylContact C-O 3.57Å; K39-E44 WeakPolarHBondContact CA-O 3.36Å; F40-E44 HydrophobicContact CB-CB 4.39Å; F40-E44 HydrophobicContact CD2-CB 3.94Å; F40-E44 PolarHBondContact N-O 2.77Å; N42-E44 VanDerWaalsContact C-N 3.3Å; N42-E44 VanDerWaalsContact ND2-CD 3.27Å; N42-E44 PolarHBondContact ND2-OE1 2.91Å; N42-E44 PolarHBondContact O-N 3.36Å; N42-E44 PolarHBondContact OD1-N 2.81Å
45T97.7Very high96.6Very high25 Ų2573.2 Ų73.215%0.15340%0.398CS..EExtended strand (participates in β ladder)trans-84.5128175.8-59.20000109.7Q43 V47 E74 I77Q43-T45 PolarHBondContact O-N 3.48Å; T45-V47 HydrophobicContact CG2-CG2 4.18Å; T45-E74 HydrophobicContact CG2-CB 3.87Å; T45-E74 HydrophobicContact CG2-CG 4Å; T45-I77 HydrophobicContact CG2-CD1 4.23Å
46C97.4Very high96.6Very high28 Ų2873 Ų7319%0.18939%0.394CS..EExtended strand (participates in β ladder)trans-116.3127.6178.1-179.20000109.2T37 K38 F40T37-C46 WeakPolarHBondContact CA-O 3.44Å; K38-C46 HydrophobicContact CG-CB 3.78Å; K38-C46 PolarHBondContact N-O 2.97Å; K38-C46 PolarHBondContact O-N 2.86Å; F40-C46 HydrophobicContact CD2-CB 4.03Å; F40-C46 HydrophobicContact CE1-CB 4.36Å; F40-C46 HydrophobicContact CE2-CB 3.46Å; F40-C46 VanDerWaalsContact CE2-CB 3.46Å; F40-C46 HydrophobicContact CZ-CB 3.64Å; F40-C46 VanDerWaalsContact CZ-SG 3.56Å
47V98Very high96.7Very high22 Ų2269.2 Ų69.213%0.13337%0.371CS..EExtended strand (participates in β ladder)trans-127.7132.6-179.4177.30000108.6V35 V36 T37 T45 I49 E74 I77 M78V35-V47 HydrophobicContact CG2-CG1 3.92Å; V36-V47 CarbonylContact O-C 3.53Å; V36-V47 WeakPolarHBondContact O-CA 3.45Å; T37-V47 HydrophobicContact CG2-CG2 4.35Å; T45-V47 HydrophobicContact CG2-CG2 4.18Å; V47-I49 HydrophobicContact CG1-CD1 4.35Å; V47-E74 HydrophobicContact CG2-CG 4.16Å; V47-I77 HydrophobicContact CB-CG2 3.73Å; V47-I77 HydrophobicContact CG2-CB 4.16Å; V47-I77 HydrophobicContact CG2-CG2 3.73Å; V47-M78 HydrophobicContact CB-CG 4.43Å; V47-M78 HydrophobicContact CG1-CB 4.47Å; V47-M78 HydrophobicContact CG1-CG 3.55Å; V47-M78 HydrophobicContact CG2-CG 4.07Å
48E97.9Very high96.9Very high126 Ų12666.7 Ų66.759%0.58936%0.356SS*.EExtended strand (participates in β ladder)trans-132.4119.4172.3-169.3177.716000109.7V35 V36 G50V35-E48 WeakPolarHBondContact CA-O 3.48Å; V36-E48 HydrophobicContact CB-CB 4.3Å; V36-E48 PolarHBondContact N-O 2.88Å; V36-E48 PolarHBondContact O-N 3.48Å; E48-G50 PolarHBondContact O-N 3.45Å
49I98.1Very high97.1Very high34 Ų3461.6 Ų61.617%0.17433%0.334CS..EExtended strand (participates in β ladder)trans-77.2113.3175.3-52.7-61.4000107.9F12 V35 V47 E51 V53 A81F12-I49 HydrophobicContact CE1-CG2 3.87Å; F12-I49 HydrophobicContact CZ-CG2 3.82Å; V35-I49 HydrophobicContact CG2-CD1 4.17Å; V47-I49 HydrophobicContact CG1-CD1 4.35Å; I49-E51 VanDerWaalsContact C-N 3.26Å; I49-E51 WeakPolarHBondContact CG2-O 3.34Å; I49-E51 PolarHBondContact O-N 2.93Å; I49-V53 HydrophobicContact CG2-CG1 3.92Å; I49-A81 HydrophobicContact CG1-CB 4.01Å
50G96.4Very high97.3Very high47 Ų4757 Ų5749%0.48531%0.314SS..  trans-83.27.8-171.400000115.1K34 E48K34-G50 WeakPolarHBondContact O-CA 3.24Å; K34-G50 PolarHBondContact O-N 3.28Å; E48-G50 PolarHBondContact O-N 3.45Å
51E96.3Very high97.5Very high51 Ų5153 Ų5324%0.23830%0.296CS..SBendtrans-149.7162.5178.763.2-17892.100112.2K10 F12 G33 K34 I49 V53K10-E51 VanDerWaalsContact CE-OE2 3.26Å; K10-E51 WeakPolarHBondContact CE-OE2 3.41Å; K10-E51 IonicContact NZ-OE2 2.68Å; K10-E51 PolarHBondContact NZ-OE2 3.45Å; F12-E51 HydrophobicContact CE1-CG 4.28Å; F12-E51 HydrophobicContact CZ-CG 4.13Å; G33-E51 WeakPolarHBondContact CA-OE1 3.01Å; K34-E51 PolarHBondContact N-OE1 3.06Å; I49-E51 VanDerWaalsContact C-N 3.26Å; I49-E51 WeakPolarHBondContact CG2-O 3.34Å; I49-E51 PolarHBondContact O-N 2.93Å; E51-V53 PolarHBondContact O-N 3.14Å
52S97.2Very high97.5Very high89 Ų8947.2 Ų47.262%0.62226%0.256SS*.  trans-71.7126.3178.9174.30000111.3R54S52-R54 PolarHBondContact OG-N 3.41Å
53V98.1Very high97.5Very high2 Ų243 Ų431%0.01223%0.233CC..  trans-107.27.3172-63.20000113.1F12 I49 E51 G55 E56 V58 A85 A87F12-V53 HydrophobicContact CE2-CG1 3.64Å; F12-V53 HydrophobicContact CZ-CG1 3.52Å; I49-V53 HydrophobicContact CG2-CG1 3.92Å; E51-V53 PolarHBondContact O-N 3.14Å; V53-G55 PolarHBondContact O-N 3.21Å; V53-G55 VanDerWaalsContact O-N 3.16Å; V53-E56 WeakPolarHBondContact O-CB 3.4Å; V53-E56 PolarHBondContact O-N 3.05Å; V53-V58 HydrophobicContact CB-CG2 3.99Å; V53-V58 HydrophobicContact CG1-CG2 4.18Å; V53-A85 HydrophobicContact CG2-CB 3.6Å; V53-A87 HydrophobicContact CG2-CB 4.38Å; V53-A87 WeakPolarHBondContact O-CA 3.49Å
54R97.8Very high97Very high164 Ų16437.8 Ų37.862%0.61921%0.212SC*.THydrogen-bonded Turntrans-59119-176.3179.2178.6-62.3-71.9-5.9111.4S52 E56 S86S52-R54 PolarHBondContact OG-N 3.41Å; R54-E56 PolarHBondContact O-N 3.4Å; R54-S86 WeakPolarHBondContact CA-O 3.47Å; R54-S86 PolarHBondContact NH1-OG 3.43Å
55G96.5Very high96.4Very high37 Ų3733 Ų3338%0.38119%0.191SC..THydrogen-bonded Turntrans73.39.2179.400000114.7P7 V53 S86P7-G55 WeakPolarHBondContact CB-O 3.26Å; V53-G55 PolarHBondContact O-N 3.21Å; V53-G55 VanDerWaalsContact O-N 3.16Å; G55-S86 PolarHBondContact N-O 3.33Å
56E97.8Very high96Very high32 Ų3235.2 Ų35.215%0.1522%0.22CC..  trans-91.4157.9179.1-54.2-65.5-162.100111.9N8 K10 V53 R54 V58 S88 R89N8-E56 VanDerWaalsContact CA-OE2 3.25Å; N8-E56 WeakPolarHBondContact CA-OE2 3.32Å; N8-E56 WeakPolarHBondContact CB-OE2 3.41Å; N8-E56 PolarHBondContact N-OE2 2.89Å; N8-E56 PolarHBondContact ND2-OE1 3.06Å; N8-E56 PolarHBondContact ND2-OE2 3.06Å; K10-E56 HydrophobicContact CG-CB 4.1Å; K10-E56 HydrophobicContact CG-CG 4.24Å; V53-E56 WeakPolarHBondContact O-CB 3.4Å; V53-E56 PolarHBondContact O-N 3.05Å; R54-E56 PolarHBondContact O-N 3.4Å; E56-V58 HydrophobicContact CB-CG2 4.42Å; E56-S88 WeakPolarHBondContact O-CB 3.23Å; E56-S88 PolarHBondContact O-N 3.46Å; E56-R89 PolarHBondContact O-N 2.94Å
57D98.3Very high95.9Very high0 Ų040.2 Ų40.20%024%0.24CC..EExtended strand (participates in β ladder)trans-93.9103.3172.4-17428.4000109P7 N8 I9 K10 Y59 R89 H309P7-D57 HydrophobicContact CB-CB 4.24Å; P7-D57 HydrophobicContact CG-CB 4.01Å; N8-D57 PolarHBondContact O-N 2.73Å; I9-D57 WeakPolarHBondContact CA-O 3.2Å; K10-D57 PolarHBondContact N-O 3.17Å; D57-Y59 HydrophobicContact CB-CE2 4.39Å; D57-Y59 VanDerWaalsContact OD2-CE2 3.3Å; D57-Y59 WeakPolarHBondContact OD2-CE2 3.48Å; D57-Y59 PolarHBondContact OD2-OH 2.64Å; D57-R89 WeakPolarHBondContact OD1-CB 3.49Å; D57-R89 IonicContact OD1-CZ 2.77Å; D57-R89 IonicContact OD1-NE 2.74Å; D57-R89 PolarHBondContact OD1-NE 3.06Å; D57-R89 IonicContact OD1-NH2 3.22Å; D57-R89 PolarHBondContact OD1-NH2 3.17Å; D57-R89 IonicContact OD2-CZ 3.57Å; D57-R89 IonicContact OD2-NE 2.89Å; D57-R89 IonicContact OD2-NH2 3.57Å; D57-R89 PolarHBondContact OD2-NH2 2.92Å; D57-H309 IonicContact OD2-CE1 2.72Å; D57-H309 IonicContact OD2-CG 3.4Å; D57-H309 IonicContact OD2-ND1 3.53Å; D57-H309 PolarHBondContact OD2-ND1 3.37Å
58V98.6Very high95.8Very high0 Ų041.4 Ų41.40%025%0.246CC..EExtended strand (participates in β ladder)trans-99.1132.6-167.4178.50000110.7K10 F12 V53 E56 I60 C82 A87 R89 S91K10-V58 HydrophobicContact CB-CG2 4.42Å; K10-V58 CarbonylContact O-C 3.54Å; K10-V58 WeakPolarHBondContact O-CA 3.41Å; F12-V58 HydrophobicContact CD2-CG1 3.72Å; F12-V58 HydrophobicContact CE2-CG1 3.89Å; V53-V58 HydrophobicContact CB-CG2 3.99Å; V53-V58 HydrophobicContact CG1-CG2 4.18Å; E56-V58 HydrophobicContact CB-CG2 4.42Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; V58-C82 HydrophobicContact CG1-CB 4.41Å; V58-A87 HydrophobicContact CG2-CB 3.84Å; V58-R89 PolarHBondContact N-O 2.83Å; V58-S91 PolarHBondContact O-N 3.31Å
59Y98.8Very high95.8Very high0 Ų039.7 Ų39.70%024%0.24CC..EExtended strand (participates in β ladder)trans-117.9123.7172.7-62.3-97.6000109I9 K10 I11 F12 D57 R89 S91 V93 I130 I305 T308 H309I9-Y59 HydrophobicContact CD1-CD2 4.1Å; I9-Y59 HydrophobicContact CD1-CE2 3.93Å; I9-Y59 HydrophobicContact CG1-CD2 3.89Å; I9-Y59 HydrophobicContact CG1-CE2 3.89Å; K10-Y59 PolarHBondContact O-N 2.93Å; I11-Y59 CarbonylContact C-O 3.5Å; I11-Y59 WeakPolarHBondContact CA-O 3.41Å; F12-Y59 PolarHBondContact N-O 3.47Å; D57-Y59 HydrophobicContact CB-CE2 4.39Å; D57-Y59 VanDerWaalsContact OD2-CE2 3.3Å; D57-Y59 WeakPolarHBondContact OD2-CE2 3.48Å; D57-Y59 PolarHBondContact OD2-OH 2.64Å; Y59-R89 PolarHBondContact OH-NH2 2.76Å; Y59-S91 WeakPolarHBondContact CA-O 3.4Å; Y59-V93 HydrophobicContact CD1-CG2 4.03Å; Y59-I130 HydrophobicContact CD1-CD1 4.43Å; Y59-I130 HydrophobicContact CE1-CD1 4.22Å; Y59-I305 HydrophobicContact CD1-CB 4.28Å; Y59-I305 HydrophobicContact CD1-CD1 4.44Å; Y59-I305 HydrophobicContact CD1-CG1 3.79Å; Y59-I305 HydrophobicContact CD1-CG2 3.81Å; Y59-I305 HydrophobicContact CD2-CG2 3.99Å; Y59-I305 HydrophobicContact CE1-CB 4.25Å; Y59-I305 HydrophobicContact CE1-CG1 4.15Å; Y59-I305 HydrophobicContact CE1-CG2 3.81Å; Y59-I305 HydrophobicContact CE2-CG2 4.02Å; Y59-I305 HydrophobicContact CG-CG1 4.4Å; Y59-I305 HydrophobicContact CG-CG2 3.91Å; Y59-T308 HydrophobicContact CE1-CG2 4.3Å; Y59-H309 PolarHBondContact OH-N 3.18Å
60I98.8Very high95.8Very high0 Ų040.2 Ų40.20%024%0.243CC..EExtended strand (participates in β ladder)trans-110.4116.7177.2-59161.6000108F12 V58 L75 M78 I79 V90 S91 V93F12-I60 HydrophobicContact CB-CG1 4.49Å; F12-I60 WeakPolarHBondContact O-CA 3.44Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; I60-L75 HydrophobicContact CB-CD1 4.11Å; I60-L75 HydrophobicContact CG2-CD1 3.57Å; I60-M78 HydrophobicContact CD1-CB 3.89Å; I60-M78 HydrophobicContact CG2-CB 4.22Å; I60-M78 HydrophobicContact CG2-CE 3.7Å; I60-M78 HydrophobicContact CG2-SD 3.9Å; I60-I79 HydrophobicContact CD1-CB 4.35Å; I60-I79 HydrophobicContact CD1-CG1 3.74Å; I60-V90 HydrophobicContact CD1-CG1 3.82Å; I60-S91 PolarHBondContact N-O 3.22Å; I60-V93 PolarHBondContact O-N 3.08Å
61V98.6Very high95.9Very high3 Ų338.6 Ų38.62%0.01822%0.224CC..EExtended strand (participates in β ladder)trans-93.6116.4-179.9-174.20000109.5I11 F12 G14 S21 I24 V93I11-V61 HydrophobicContact CG2-CG2 4.03Å; F12-V61 PolarHBondContact O-N 3.42Å; G14-V61 PolarHBondContact N-O 3.39Å; S21-V61 WeakPolarHBondContact OG-CB 3.37Å; S21-V61 WeakPolarHBondContact OG-CG1 3.34Å; I24-V61 HydrophobicContact CD1-CG1 4.22Å; I24-V61 HydrophobicContact CD1-CG2 4.31Å; V61-V93 WeakPolarHBondContact CA-O 3.32Å; V61-V93 HydrophobicContact CG2-CB 4.1Å; V61-V93 HydrophobicContact CG2-CG1 4.37Å
62Q96.8Very high96Very high3 Ų336.8 Ų36.81%0.01422%0.216CC..  trans-151.9128.9175.7-173.987.7-64.700110.4G14 S16 N71 E74 L75 V93 I94G14-Q62 VanDerWaalsContact C-OE1 3.31Å; G14-Q62 VanDerWaalsContact CA-OE1 3.31Å; S16-Q62 PolarHBondContact OG-OE1 3.22Å; Q62-N71 HydrophobicContact CG-CB 4.39Å; Q62-N71 PolarHBondContact NE2-O 2.74Å; Q62-E74 PolarHBondContact NE2-OE2 3.07Å; Q62-L75 HydrophobicContact CB-CB 4.18Å; Q62-L75 HydrophobicContact CB-CD1 4.01Å; Q62-L75 HydrophobicContact CB-CD2 4.21Å; Q62-L75 HydrophobicContact CB-CG 4.36Å; Q62-L75 HydrophobicContact CG-CB 4.07Å; Q62-V93 PolarHBondContact N-O 2.75Å; Q62-I94 VanDerWaalsContact O-CA 3.29Å; Q62-I94 WeakPolarHBondContact O-CA 3.35Å
63S94.4Very high96Very high2 Ų237.1 Ų37.11%0.01421%0.208CC..  trans-100148.5176.5-163.20000112.5S16 C65 C96 T279S16-S63 WeakPolarHBondContact CB-O 3.46Å; S16-S63 PolarHBondContact OG-N 3.28Å; S16-S63 PolarHBondContact OG-O 3.21Å; S63-C65 PolarHBondContact O-N 3.32Å; S63-C96 VanDerWaalsContact OG-CB 3.29Å; S63-C96 WeakPolarHBondContact OG-CB 3.49Å; S63-C96 PolarHBondContact OG-N 3.41Å; S63-T279 WeakPolarHBondContact CB-O 3.43Å; S63-T279 PolarHBondContact OG-O 3.13Å
64G85.5Confident96Very high12 Ų1237.5 Ų37.512%0.12421%0.21CC..SBendtrans-78.758.9176.400000113.4C96G64-C96 WeakPolarHBondContact CA-O 3.49Å; G64-C96 PolarHBondContact N-O 3.39Å
65C85.8Confident96.1Very high15 Ų1529.8 Ų29.810%0.10118%0.181CC..  trans-127.8173.1-179600000113S63 E67 N71 I280S63-C65 PolarHBondContact O-N 3.32Å; C65-E67 PolarHBondContact O-N 2.95Å; C65-N71 PolarHBondContact O-ND2 2.83Å; C65-I280 HydrophobicContact CB-CB 4.25Å; C65-I280 HydrophobicContact CB-CD1 3.98Å; C65-I280 HydrophobicContact CB-CG1 3.84Å; C65-I280 HydrophobicContact CB-CG2 3.64Å
66G89.6Confident96.2Very high73 Ų7328.9 Ų28.975%0.75317%0.168SC*.SBendtrans62.2-131.7-179.500000112.5I68G66-I68 PolarHBondContact O-N 3.27Å
67E94.4Very high96.2Very high133 Ų13329.8 Ų29.862%0.62117%0.173SC*.SBendtrans-72.480.6169.8-65.9-56.6147.400110.2C65 N69 D70 N71C65-E67 PolarHBondContact O-N 2.95Å; E67-N69 PolarHBondContact O-N 3.15Å; E67-N69 VanDerWaalsContact O-N 3.15Å; E67-D70 HydrophobicContact CB-CB 4.1Å; E67-D70 WeakPolarHBondContact CB-OD2 3.27Å; E67-D70 PolarHBondContact O-N 3.24Å; E67-N71 PolarHBondContact O-N 2.97Å
68I96.8Very high96.3Very high47 Ų4729.8 Ų29.824%0.24117%0.173CC..Hα-helixtrans-55.4-36.1-169.3-167.2172.1000113.8G66 L72 P98 Y99G66-I68 PolarHBondContact O-N 3.27Å; I68-L72 VanDerWaalsContact O-CB 3.23Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 PolarHBondContact O-N 2.98Å; I68-P98 HydrophobicContact CD1-CB 3.68Å; I68-P98 HydrophobicContact CG1-CB 3.74Å; I68-Y99 HydrophobicContact CD1-CD2 4.1Å; I68-Y99 HydrophobicContact CD1-CE2 3.95Å; I68-Y99 HydrophobicContact CG1-CE2 4.11Å; I68-Y99 HydrophobicContact CG2-CE2 4.28Å
69N98Very high96.3Very high89 Ų8929.8 Ų29.848%0.47617%0.173SC..Hα-helixtrans-69.5-42.5179.1-72.5-43.9000111.7E67 L72 M73 Y99E67-N69 PolarHBondContact O-N 3.15Å; E67-N69 VanDerWaalsContact O-N 3.15Å; N69-L72 PolarHBondContact O-N 3.46Å; N69-M73 WeakPolarHBondContact O-CB 3.35Å; N69-M73 WeakPolarHBondContact O-CG 3.14Å; N69-M73 PolarHBondContact O-N 3.06Å; N69-Y99 PolarHBondContact OD1-OH 3.22Å
70D97.4Very high96.3Very high45 Ų4533.3 Ų33.324%0.24119%0.192CC..Hα-helixtrans-68.6-42.9-179.1-61.7-29.6000110.3K39 E67 L72 M73 E74K39-D70 IonicContact NZ-OD1 3.78Å; K39-D70 IonicContact NZ-OD2 2.64Å; K39-D70 PolarHBondContact NZ-OD2 2.88Å; E67-D70 HydrophobicContact CB-CB 4.1Å; E67-D70 WeakPolarHBondContact CB-OD2 3.27Å; E67-D70 PolarHBondContact O-N 3.24Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 3.07Å; D70-M73 PolarHBondContact O-N 2.96Å; D70-E74 WeakPolarHBondContact O-CB 3.49Å; D70-E74 PolarHBondContact O-N 2.95Å
71N97.8Very high96.3Very high14 Ų1434.3 Ų34.38%0.07520%0.2CC..Hα-helixtrans-64.2-37.9176.2-73.7-28.1000112.4S15 Q62 C65 E67 L75S15-N71 PolarHBondContact OG-OD1 2.79Å; Q62-N71 HydrophobicContact CG-CB 4.39Å; Q62-N71 PolarHBondContact NE2-O 2.74Å; C65-N71 PolarHBondContact O-ND2 2.83Å; E67-N71 PolarHBondContact O-N 2.97Å; N71-L75 WeakPolarHBondContact O-CB 3.45Å; N71-L75 PolarHBondContact O-N 2.96Å
72L98.4Very high96.3Very high13 Ų1334.2 Ų34.27%0.06820%0.199CC..Hα-helixtrans-65.5-47.5173.3176.460.7000111.2I68 N69 D70 E74 L75 L76 P98 Y99 V117 M120I68-L72 VanDerWaalsContact O-CB 3.23Å; I68-L72 WeakPolarHBondContact O-CB 3.39Å; I68-L72 PolarHBondContact O-N 2.98Å; N69-L72 PolarHBondContact O-N 3.46Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 3.07Å; L72-E74 PolarHBondContact O-N 3.32Å; L72-L75 PolarHBondContact O-N 2.85Å; L72-L76 HydrophobicContact CD1-CD1 4.31Å; L72-L76 HydrophobicContact CD1-CG 4.28Å; L72-L76 HydrophobicContact CG-CD1 4.19Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 3.21Å; L72-P98 HydrophobicContact CD1-CG 4.35Å; L72-Y99 HydrophobicContact CD2-CE2 4.42Å; L72-V117 HydrophobicContact CD1-CG1 4.02Å; L72-V117 HydrophobicContact CD2-CG2 3.93Å; L72-M120 HydrophobicContact CD2-CE 3.78Å
73M98.4Very high96.3Very high95 Ų9537.7 Ų37.747%0.46821%0.214SC..Hα-helixtrans-62.1-43.5178.1-75.6-56.9-57.300111.8N69 D70 L75 L76 I77N69-M73 WeakPolarHBondContact O-CB 3.35Å; N69-M73 WeakPolarHBondContact O-CG 3.14Å; N69-M73 PolarHBondContact O-N 3.06Å; D70-M73 PolarHBondContact O-N 2.96Å; M73-L75 VanDerWaalsContact C-N 3.34Å; M73-L75 PolarHBondContact O-N 2.8Å; M73-L76 PolarHBondContact O-N 3.39Å; M73-L76 HydrophobicContact SD-CD1 4.2Å; M73-I77 WeakPolarHBondContact O-CD1 3.36Å; M73-I77 WeakPolarHBondContact O-CG1 3.35Å; M73-I77 PolarHBondContact O-N 3.28Å
74E98.6Very high96.5Very high10 Ų1043.5 Ų43.55%0.04724%0.244CC..Hα-helixtrans-57-46.9174.8-173.1176.3-113.900111.5S15 T37 T45 V47 Q62 D70 L72 L76 I77 M78S15-E74 VanDerWaalsContact CB-OE2 3.28Å; S15-E74 WeakPolarHBondContact CB-OE2 3.22Å; S15-E74 PolarHBondContact N-OE2 2.94Å; S15-E74 PolarHBondContact OG-OE1 2.83Å; S15-E74 PolarHBondContact OG-OE2 3.47Å; T37-E74 WeakPolarHBondContact CB-OE1 3.17Å; T37-E74 HydrophobicContact CG2-CG 4.47Å; T45-E74 HydrophobicContact CG2-CB 3.87Å; T45-E74 HydrophobicContact CG2-CG 4Å; V47-E74 HydrophobicContact CG2-CG 4.16Å; Q62-E74 PolarHBondContact NE2-OE2 3.07Å; D70-E74 WeakPolarHBondContact O-CB 3.49Å; D70-E74 PolarHBondContact O-N 2.95Å; L72-E74 PolarHBondContact O-N 3.32Å; E74-L76 PolarHBondContact O-N 3.36Å; E74-I77 PolarHBondContact O-N 2.96Å; E74-M78 HydrophobicContact CG-SD 4.19Å; E74-M78 WeakPolarHBondContact O-CB 3.36Å; E74-M78 VanDerWaalsContact O-CG 3.29Å; E74-M78 WeakPolarHBondContact O-CG 3.39Å; E74-M78 PolarHBondContact O-N 3.01Å
75L98.6Very high97.1Very high3 Ų344.8 Ų44.82%0.01625%0.254CS..Hα-helixtrans-60.2-46.4177175.461.2000111.8I60 Q62 N71 L72 M73 I77 M78 I79 A92 I94 L121I60-L75 HydrophobicContact CB-CD1 4.11Å; I60-L75 HydrophobicContact CG2-CD1 3.57Å; Q62-L75 HydrophobicContact CB-CB 4.18Å; Q62-L75 HydrophobicContact CB-CD1 4.01Å; Q62-L75 HydrophobicContact CB-CD2 4.21Å; Q62-L75 HydrophobicContact CB-CG 4.36Å; Q62-L75 HydrophobicContact CG-CB 4.07Å; N71-L75 WeakPolarHBondContact O-CB 3.45Å; N71-L75 PolarHBondContact O-N 2.96Å; L72-L75 PolarHBondContact O-N 2.85Å; M73-L75 VanDerWaalsContact C-N 3.34Å; M73-L75 PolarHBondContact O-N 2.8Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 2.91Å; L75-M78 PolarHBondContact O-N 3.45Å; L75-I79 HydrophobicContact CD1-CD1 3.81Å; L75-I79 HydrophobicContact CD1-CG1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.78Å; L75-I79 HydrophobicContact CG-CG1 4.47Å; L75-I79 WeakPolarHBondContact O-CD1 3.42Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.03Å; L75-A92 HydrophobicContact CD1-CB 4.45Å; L75-I94 HydrophobicContact CD2-CD1 3.88Å; L75-I94 HydrophobicContact CD2-CG1 4.05Å; L75-L121 HydrophobicContact CD2-CD2 3.76Å; L75-L121 HydrophobicContact CG-CD2 4.18Å
76L98.8Very high97.7Very high18 Ų1846.5 Ų46.59%0.09427%0.266CS..Hα-helixtrans-60.9-41.8178.4-66.2173000111.7L72 M73 E74 N80 M120 L121L72-L76 HydrophobicContact CD1-CD1 4.31Å; L72-L76 HydrophobicContact CD1-CG 4.28Å; L72-L76 HydrophobicContact CG-CD1 4.19Å; L72-L76 VanDerWaalsContact O-CG 3.27Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 3.21Å; M73-L76 PolarHBondContact O-N 3.39Å; M73-L76 HydrophobicContact SD-CD1 4.2Å; E74-L76 PolarHBondContact O-N 3.36Å; L76-N80 WeakPolarHBondContact O-CB 3.25Å; L76-N80 PolarHBondContact O-N 2.79Å; L76-M120 HydrophobicContact CD1-CB 4Å; L76-M120 HydrophobicContact CD1-SD 4.3Å; L76-M120 HydrophobicContact CD2-CB 3.99Å; L76-M120 WeakPolarHBondContact CD2-O 3.46Å; L76-L121 HydrophobicContact CD2-CD2 3.92Å; L76-L121 HydrophobicContact CD2-CG 4.22Å
77I98.7Very high98.1Very high50 Ų5043.6 Ų43.626%0.25623%0.234SC..Hα-helixtrans-66.6-43.9177.6-64.5163000110.5T45 V47 M73 E74 L75 N80 A81T45-I77 HydrophobicContact CG2-CD1 4.23Å; V47-I77 HydrophobicContact CB-CG2 3.73Å; V47-I77 HydrophobicContact CG2-CB 4.16Å; V47-I77 HydrophobicContact CG2-CG2 3.73Å; M73-I77 WeakPolarHBondContact O-CD1 3.36Å; M73-I77 WeakPolarHBondContact O-CG1 3.35Å; M73-I77 PolarHBondContact O-N 3.28Å; E74-I77 PolarHBondContact O-N 2.96Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 2.91Å; I77-N80 PolarHBondContact O-N 3.4Å; I77-A81 VanDerWaalsContact O-CB 3.3Å; I77-A81 WeakPolarHBondContact O-CB 3.27Å; I77-A81 PolarHBondContact O-N 2.95Å
78M98.8Very high98.3Very high0 Ų040.9 Ų40.90%023%0.23CC..Hα-helixtrans-61.2-45.4176.4-72.3177.977.900112F12 V35 V47 I60 E74 L75 A81 C82F12-M78 HydrophobicContact CB-CE 3.7Å; V35-M78 HydrophobicContact CG2-CE 4.29Å; V47-M78 HydrophobicContact CB-CG 4.43Å; V47-M78 HydrophobicContact CG1-CB 4.47Å; V47-M78 HydrophobicContact CG1-CG 3.55Å; V47-M78 HydrophobicContact CG2-CG 4.07Å; I60-M78 HydrophobicContact CD1-CB 3.89Å; I60-M78 HydrophobicContact CG2-CB 4.22Å; I60-M78 HydrophobicContact CG2-CE 3.7Å; I60-M78 HydrophobicContact CG2-SD 3.9Å; E74-M78 HydrophobicContact CG-SD 4.19Å; E74-M78 WeakPolarHBondContact O-CB 3.36Å; E74-M78 VanDerWaalsContact O-CG 3.29Å; E74-M78 WeakPolarHBondContact O-CG 3.39Å; E74-M78 PolarHBondContact O-N 3.01Å; L75-M78 PolarHBondContact O-N 3.45Å; M78-A81 PolarHBondContact O-N 3.29Å; M78-C82 PolarHBondContact O-N 2.76Å; M78-C82 PolarHBondContact O-SG 3.01Å; M78-C82 VanDerWaalsContact O-SG 3.39Å
79I98.8Very high98.3Very high0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-58.8-50.8177.1-68.9163000109.8I60 L75 A81 C82 K83 V90 A92 L121 S124 A126I60-I79 HydrophobicContact CD1-CB 4.35Å; I60-I79 HydrophobicContact CD1-CG1 3.74Å; L75-I79 HydrophobicContact CD1-CD1 3.81Å; L75-I79 HydrophobicContact CD1-CG1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.78Å; L75-I79 HydrophobicContact CG-CG1 4.47Å; L75-I79 WeakPolarHBondContact O-CD1 3.42Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.37Å; L75-I79 PolarHBondContact O-N 3.03Å; I79-A81 PolarHBondContact O-N 3.39Å; I79-C82 PolarHBondContact O-N 2.81Å; I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 PolarHBondContact O-N 3.27Å; I79-V90 HydrophobicContact CB-CG1 4.33Å; I79-V90 HydrophobicContact CG1-CG1 4.17Å; I79-V90 HydrophobicContact CG2-CG1 4.01Å; I79-A92 HydrophobicContact CD1-CB 4.13Å; I79-L121 HydrophobicContact CD1-CD2 3.69Å; I79-S124 WeakPolarHBondContact CG2-OG 3.37Å; I79-A126 HydrophobicContact CD1-CB 4.33Å; I79-A126 HydrophobicContact CG2-CB 4.27Å
80N98.8Very high98.4Very high74 Ų7438 Ų3840%0.39621%0.21SC..Hα-helixtrans-62.1-42.4-179.6-179.571.4000111.8L76 I77 C82 K83 I84 S124L76-N80 WeakPolarHBondContact O-CB 3.25Å; L76-N80 PolarHBondContact O-N 2.79Å; I77-N80 PolarHBondContact O-N 3.4Å; N80-C82 PolarHBondContact O-N 2.85Å; N80-K83 PolarHBondContact O-N 3.31Å; N80-I84 WeakPolarHBondContact O-CG1 3.38Å; N80-I84 PolarHBondContact O-N 2.79Å; N80-S124 WeakPolarHBondContact CA-O 2.93Å
81A98.7Very high98.4Very high22 Ų2235.9 Ų35.918%0.18220%0.199CC..Hα-helixtrans-58.6-45.7176.800000111.8I49 I77 M78 I79 I84 A85I49-A81 HydrophobicContact CG1-CB 4.01Å; I77-A81 VanDerWaalsContact O-CB 3.3Å; I77-A81 WeakPolarHBondContact O-CB 3.27Å; I77-A81 PolarHBondContact O-N 2.95Å; M78-A81 PolarHBondContact O-N 3.29Å; I79-A81 PolarHBondContact O-N 3.39Å; A81-I84 WeakPolarHBondContact O-CG1 3.36Å; A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 3.45Å
82C98.6Very high98.5Very high0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-65.2-40.8175.5-69.60000112.3V58 M78 I79 N80 A85 S86 A87 V90V58-C82 HydrophobicContact CG1-CB 4.41Å; M78-C82 PolarHBondContact O-N 2.76Å; M78-C82 PolarHBondContact O-SG 3.01Å; M78-C82 VanDerWaalsContact O-SG 3.39Å; I79-C82 PolarHBondContact O-N 2.81Å; N80-C82 PolarHBondContact O-N 2.85Å; C82-A85 CarbonylContact O-C 3.45Å; C82-A85 PolarHBondContact O-N 3.08Å; C82-S86 PolarHBondContact O-N 3.26Å; C82-A87 HydrophobicContact CB-CB 4.29Å; C82-A87 VanDerWaalsContact O-CB 3.24Å; C82-A87 WeakPolarHBondContact O-CB 3.45Å; C82-A87 PolarHBondContact O-N 2.83Å; C82-V90 HydrophobicContact CB-CG1 4.49Å; C82-V90 HydrophobicContact CB-CG2 3.91Å
83K98.3Very high98.5Very high76 Ų7634.6 Ų34.633%0.3319%0.192SC..Hα-helixtrans-61.8-50.7-179.8-166.364.8163.1-166.20111.6I79 N80 A85 S86 D127I79-K83 WeakPolarHBondContact O-CB 3.44Å; I79-K83 PolarHBondContact O-N 3.27Å; N80-K83 PolarHBondContact O-N 3.31Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 2.79Å; K83-S86 PolarHBondContact O-N 3.35Å; K83-D127 IonicContact NZ-OD1 3.82Å; K83-D127 PolarHBondContact NZ-OD1 3.18Å; K83-D127 IonicContact NZ-OD2 2.88Å; K83-D127 PolarHBondContact NZ-OD2 2.94Å
84I98.3Very high98.5Very high125 Ų12530.2 Ų30.264%0.64117%0.17SC*.Hα-helixtrans-72.2-25.6179.970.5-178.8000112.4N80 A81 S86N80-I84 WeakPolarHBondContact O-CG1 3.38Å; N80-I84 PolarHBondContact O-N 2.79Å; A81-I84 WeakPolarHBondContact O-CG1 3.36Å; I84-S86 PolarHBondContact O-N 3.32Å; I84-S86 VanDerWaalsContact O-N 3.14Å
85A98.2Very high98.5Very high39 Ų3929.7 Ų29.732%0.32217%0.168SC..THydrogen-bonded Turntrans-73.48.5169.300000113.6V53 A81 C82 K83V53-A85 HydrophobicContact CG2-CB 3.6Å; A81-A85 WeakPolarHBondContact O-CB 3.39Å; A81-A85 PolarHBondContact O-N 3.45Å; C82-A85 CarbonylContact O-C 3.45Å; C82-A85 PolarHBondContact O-N 3.08Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 2.79Å
86S98Very high98.5Very high50 Ų5029.8 Ų29.835%0.3517%0.168SC..THydrogen-bonded Turntrans66.636175.4-450000114.1R54 G55 C82 K83 I84R54-S86 WeakPolarHBondContact CA-O 3.47Å; R54-S86 PolarHBondContact NH1-OG 3.43Å; G55-S86 PolarHBondContact N-O 3.33Å; C82-S86 PolarHBondContact O-N 3.26Å; K83-S86 PolarHBondContact O-N 3.35Å; I84-S86 PolarHBondContact O-N 3.32Å; I84-S86 VanDerWaalsContact O-N 3.14Å
87A98.3Very high98.5Very high12 Ų1229.3 Ų29.310%0.09917%0.165CC..  trans-54.5142.8164.700000110.6V53 V58 C82 V90V53-A87 HydrophobicContact CG2-CB 4.38Å; V53-A87 WeakPolarHBondContact O-CA 3.49Å; V58-A87 HydrophobicContact CG2-CB 3.84Å; C82-A87 HydrophobicContact CB-CB 4.29Å; C82-A87 VanDerWaalsContact O-CB 3.24Å; C82-A87 WeakPolarHBondContact O-CB 3.45Å; C82-A87 PolarHBondContact O-N 2.83Å; A87-V90 HydrophobicContact CB-CG2 3.81Å
88S97.7Very high98.4Very high77 Ų7727.2 Ų27.254%0.53816%0.155SC..SBendtrans-69.8-38.3178.7-175.70000111.4E56E56-S88 WeakPolarHBondContact O-CB 3.23Å; E56-S88 PolarHBondContact O-N 3.46Å
89R98.1Very high98.4Very high76 Ų7630 Ų3029%0.28717%0.166SC..EExtended strand (participates in β ladder)trans-152.7142.2178.7-178169.864.6175.60.4108.7E56 D57 V58 Y59 D127 T308E56-R89 PolarHBondContact O-N 2.94Å; D57-R89 WeakPolarHBondContact OD1-CB 3.49Å; D57-R89 IonicContact OD1-CZ 2.77Å; D57-R89 IonicContact OD1-NE 2.74Å; D57-R89 PolarHBondContact OD1-NE 3.06Å; D57-R89 IonicContact OD1-NH2 3.22Å; D57-R89 PolarHBondContact OD1-NH2 3.17Å; D57-R89 IonicContact OD2-CZ 3.57Å; D57-R89 IonicContact OD2-NE 2.89Å; D57-R89 IonicContact OD2-NH2 3.57Å; D57-R89 PolarHBondContact OD2-NH2 2.92Å; V58-R89 PolarHBondContact N-O 2.83Å; Y59-R89 PolarHBondContact OH-NH2 2.76Å; R89-D127 WeakPolarHBondContact CA-OD2 3.41Å; R89-D127 HydrophobicContact CG-CB 3.8Å; R89-T308 PolarHBondContact NH2-O 3.42Å
90V98.7Very high98.3Very high0 Ų030.2 Ų30.20%017%0.168CC..EExtended strand (participates in β ladder)trans-122.1112.6175.2-172.90000109.7I60 I79 C82 A87 D127I60-V90 HydrophobicContact CD1-CG1 3.82Å; I79-V90 HydrophobicContact CB-CG1 4.33Å; I79-V90 HydrophobicContact CG1-CG1 4.17Å; I79-V90 HydrophobicContact CG2-CG1 4.01Å; C82-V90 HydrophobicContact CB-CG1 4.49Å; C82-V90 HydrophobicContact CB-CG2 3.91Å; A87-V90 HydrophobicContact CB-CG2 3.81Å; V90-D127 PolarHBondContact N-OD2 3.05Å; V90-D127 PolarHBondContact O-N 3.22Å
91S98.8Very high98.1Very high0 Ų032.4 Ų32.40%017%0.171CC..EExtended strand (participates in β ladder)trans-101.9125.1176.1-58.20000110.3V58 Y59 I60 H128V58-S91 PolarHBondContact O-N 3.31Å; Y59-S91 WeakPolarHBondContact CA-O 3.4Å; I60-S91 PolarHBondContact N-O 3.22Å; S91-H128 CarbonylContact C-O 3.51Å; S91-H128 WeakPolarHBondContact CA-O 3.41Å
92A98.8Very high98Very high0 Ų035.3 Ų35.30%018%0.18CC..EExtended strand (participates in β ladder)trans-89118.1171.200000109.4L75 I79 I94 H128 I129 I130L75-A92 HydrophobicContact CD1-CB 4.45Å; I79-A92 HydrophobicContact CD1-CB 4.13Å; A92-I94 HydrophobicContact CB-CD1 3.98Å; A92-I94 HydrophobicContact CB-CG1 4Å; A92-H128 PolarHBondContact N-O 2.97Å; A92-I129 HydrophobicContact CB-CD1 3.8Å; A92-I129 WeakPolarHBondContact O-CA 3.4Å; A92-I130 PolarHBondContact O-N 3.25Å
93V98.8Very high97.8Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-98.3105.5174.7-175.20000107.3Y59 I60 V61 Q62 P95 I130 L301 I305Y59-V93 HydrophobicContact CD1-CG2 4.03Å; I60-V93 PolarHBondContact O-N 3.08Å; V61-V93 WeakPolarHBondContact CA-O 3.32Å; V61-V93 HydrophobicContact CG2-CB 4.1Å; V61-V93 HydrophobicContact CG2-CG1 4.37Å; Q62-V93 PolarHBondContact N-O 2.75Å; V93-P95 WeakPolarHBondContact O-CD 3.5Å; V93-I130 CarbonylContact C-O 3.35Å; V93-I130 WeakPolarHBondContact CA-O 3.4Å; V93-I130 HydrophobicContact CG1-CB 4.42Å; V93-I130 HydrophobicContact CG1-CG2 4.46Å; V93-I130 HydrophobicContact CG2-CB 4.32Å; V93-I130 HydrophobicContact CG2-CD1 4.34Å; V93-L301 HydrophobicContact CG1-CD2 4.13Å; V93-I305 HydrophobicContact CG2-CD1 4.07Å; V93-I305 HydrophobicContact CG2-CG1 4.17Å
94I98.7Very high97.5Very high2 Ų238.3 Ų38.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-12083.9-170.6-48.7175.6000109.8Q62 L75 A92 C96 F97 L121 I129 I130 T131Q62-I94 VanDerWaalsContact O-CA 3.29Å; Q62-I94 WeakPolarHBondContact O-CA 3.35Å; L75-I94 HydrophobicContact CD2-CD1 3.88Å; L75-I94 HydrophobicContact CD2-CG1 4.05Å; A92-I94 HydrophobicContact CB-CD1 3.98Å; A92-I94 HydrophobicContact CB-CG1 4Å; I94-C96 WeakPolarHBondContact CG2-O 3.42Å; I94-C96 PolarHBondContact O-N 2.88Å; I94-F97 HydrophobicContact CD1-CD2 4.32Å; I94-F97 HydrophobicContact CD1-CE2 4.22Å; I94-F97 HydrophobicContact CG2-CD2 4.23Å; I94-L121 HydrophobicContact CD1-CD1 3.72Å; I94-L121 HydrophobicContact CD1-CD2 4.25Å; I94-I129 HydrophobicContact CD1-CG2 4.39Å; I94-I130 PolarHBondContact N-O 2.82Å; I94-T131 VanDerWaalsContact O-CA 3.29Å; I94-T131 WeakPolarHBondContact O-CA 3.39Å; I94-T131 VanDerWaalsContact O-CB 3.28Å; I94-T131 WeakPolarHBondContact O-CB 3.31Å; I94-T131 PolarHBondContact O-OG1 3.22Å
95P98.4Very high97.2Very high0 Ų039.1 Ų39.10%019%0.194CC..SBendtrans-57.4-42.5-173.7-25.633.7000113.9L20 V93 H255 T279 L301L20-P95 HydrophobicContact CD2-CB 4.12Å; L20-P95 HydrophobicContact CD2-CG 3.61Å; V93-P95 WeakPolarHBondContact O-CD 3.5Å; P95-H255 PolarHBondContact O-CE1 2.91Å; P95-T279 HydrophobicContact CB-CG2 3.87Å; P95-L301 HydrophobicContact CB-CD1 4.31Å; P95-L301 HydrophobicContact CG-CD1 3.89Å
96C98.4Very high96.3Very high4 Ų442.8 Ų42.83%0.02721%0.208CC..SBendtrans-116114.8168.6178.10000109.2S63 G64 I94 I280S63-C96 VanDerWaalsContact OG-CB 3.29Å; S63-C96 WeakPolarHBondContact OG-CB 3.49Å; S63-C96 PolarHBondContact OG-N 3.41Å; G64-C96 WeakPolarHBondContact CA-O 3.49Å; G64-C96 PolarHBondContact N-O 3.39Å; I94-C96 WeakPolarHBondContact CG2-O 3.42Å; I94-C96 PolarHBondContact O-N 2.88Å; C96-I280 HydrophobicContact CB-CD1 4.14Å; C96-I280 HydrophobicContact CB-CG1 3.92Å
97F98.5Very high95.6Very high8 Ų848.6 Ų48.64%0.03523%0.227CC..  trans-72.1124.5-175.5-164.9-92.3000112.2I94 A100 V117 L121 L134 I139 F143I94-F97 HydrophobicContact CD1-CD2 4.32Å; I94-F97 HydrophobicContact CD1-CE2 4.22Å; I94-F97 HydrophobicContact CG2-CD2 4.23Å; F97-A100 HydrophobicContact CB-CB 4.36Å; F97-A100 HydrophobicContact CD1-CB 4.2Å; F97-A100 WeakPolarHBondContact O-CB 3.3Å; F97-V117 HydrophobicContact CE1-CB 4.46Å; F97-V117 HydrophobicContact CE1-CG1 4.1Å; F97-V117 HydrophobicContact CZ-CB 4.49Å; F97-V117 HydrophobicContact CZ-CG1 3.85Å; F97-L121 HydrophobicContact CE2-CD1 4.04Å; F97-L121 HydrophobicContact CZ-CD1 4.25Å; F97-L134 HydrophobicContact CB-CD2 3.52Å; F97-L134 HydrophobicContact CD1-CD2 4.2Å; F97-L134 HydrophobicContact CD2-CD2 4.15Å; F97-L134 HydrophobicContact CG-CD2 3.7Å; F97-I139 HydrophobicContact CD1-CG2 4.4Å; F97-I139 HydrophobicContact CE1-CG2 4.15Å; F97-I139 HydrophobicContact CZ-CG2 4.45Å; F97-F143 AromaticContact CE2-CE2 3.99Å; F97-F143 HydrophobicContact CE2-CE2 3.99Å; F97-F143 AromaticContact CE2-CZ 3.7Å; F97-F143 HydrophobicContact CE2-CZ 3.7Å; F97-F143 AromaticContact CZ-CE2 3.88Å; F97-F143 HydrophobicContact CZ-CE2 3.88Å; F97-F143 AromaticContact CZ-CZ 3.66Å; F97-F143 HydrophobicContact CZ-CZ 3.66Å
98P98.1Very high94.9Very high6 Ų653 Ų534%0.03926%0.257CS..THydrogen-bonded Turntrans-69.3145.7-177.128.3-33.8000111.4I68 L72 A100 V117I68-P98 HydrophobicContact CD1-CB 3.68Å; I68-P98 HydrophobicContact CG1-CB 3.74Å; L72-P98 HydrophobicContact CD1-CG 4.35Å; P98-A100 PolarHBondContact O-N 2.98Å; P98-A100 VanDerWaalsContact O-N 3.11Å; P98-V117 HydrophobicContact CG-CG1 4.09Å
99Y97.9Very high94.6Very high58 Ų5860.5 Ų60.523%0.22727%0.274CS..THydrogen-bonded Turntrans60.114.1-179.8-64.5-88.2000116.2I68 N69 L72 R101 Q102 V117I68-Y99 HydrophobicContact CD1-CD2 4.1Å; I68-Y99 HydrophobicContact CD1-CE2 3.95Å; I68-Y99 HydrophobicContact CG1-CE2 4.11Å; I68-Y99 HydrophobicContact CG2-CE2 4.28Å; N69-Y99 PolarHBondContact OD1-OH 3.22Å; L72-Y99 HydrophobicContact CD2-CE2 4.42Å; Y99-R101 PolarHBondContact O-N 2.82Å; Y99-R101 VanDerWaalsContact O-N 3.09Å; Y99-Q102 PolarHBondContact O-N 3.36Å; Y99-V117 HydrophobicContact CD2-CG2 3.83Å; Y99-V117 HydrophobicContact CG-CG2 4.3Å
100A97.1Very high94.4Very high5 Ų558.5 Ų58.54%0.04127%0.273CS..THydrogen-bonded Turntrans-57.2-29-175.500000114.9F97 P98 Q102 H135 I139F97-A100 HydrophobicContact CB-CB 4.36Å; F97-A100 HydrophobicContact CD1-CB 4.2Å; F97-A100 WeakPolarHBondContact O-CB 3.3Å; P98-A100 PolarHBondContact O-N 2.98Å; P98-A100 VanDerWaalsContact O-N 3.11Å; A100-Q102 PolarHBondContact O-N 2.85Å; A100-H135 HydrophobicContact CB-CB 3.74Å; A100-I139 HydrophobicContact CB-CD1 3.91Å
101R94.6Very high94.3Very high120 Ų12062.4 Ų62.445%0.45330%0.299SS..THydrogen-bonded Turntrans-70.7-7.4174.9-67.3-179.7-74.7174.3-2.1114.4Y99 M227 D229Y99-R101 PolarHBondContact O-N 2.82Å; Y99-R101 VanDerWaalsContact O-N 3.09Å; R101-M227 VanDerWaalsContact CD-SD 3.54Å; R101-M227 HydrophobicContact CG-CE 4.35Å; R101-M227 HydrophobicContact CG-SD 3.73Å; R101-D229 IonicContact CZ-OD2 3.69Å; R101-D229 IonicContact NH1-OD2 3.45Å; R101-D229 PolarHBondContact NH1-OD2 2.89Å; R101-D229 IonicContact NH2-OD2 3.26Å; R101-D229 PolarHBondContact NH2-OD2 3.44Å
102Q95.5Very high94.2Very high83 Ų8365.2 Ų65.239%0.38831%0.313SS..  trans-111.252.9179.8-60.8-177.92600110Y99 A100 I112 S113 A114Y99-Q102 PolarHBondContact O-N 3.36Å; A100-Q102 PolarHBondContact O-N 2.85Å; Q102-I112 CarbonylContact O-C 3.59Å; Q102-S113 PolarHBondContact O-N 2.81Å; Q102-S113 PolarHBondContact OE1-OG 2.95Å; Q102-A114 PolarHBondContact O-N 3.39Å; Q102-A114 VanDerWaalsContact O-N 3.12Å
103D94.7Very high94.2Very high25 Ų2566 Ų6613%0.13432%0.318CS..  trans-92.1-14.3-175.166.1-45.7000113.8I112 A136 I139 F142D103-I112 VanDerWaalsContact O-CG2 3.3Å; D103-I112 WeakPolarHBondContact O-CG2 2.89Å; D103-A136 HydrophobicContact CB-CB 4.4Å; D103-A136 VanDerWaalsContact OD2-CB 3.26Å; D103-A136 WeakPolarHBondContact OD2-CB 3.38Å; D103-I139 HydrophobicContact CB-CD1 4.32Å; D103-I139 HydrophobicContact CB-CG1 4.16Å; D103-F142 HydrophobicContact CB-CE2 4.28Å; D103-F142 HydrophobicContact CB-CZ 4.4Å; D103-F142 WeakPolarHBondContact O-CZ 3.45Å
104K92.3Very high94.1Very high115 Ų11566 Ų6650%0.532%0.318SS..SBendtrans-145.5164.9-178.762.4-174.21661780112.6D106K104-D106 WeakPolarHBondContact CD-OD1 3.2Å; K104-D106 WeakPolarHBondContact CE-OD1 3.41Å; K104-D106 WeakPolarHBondContact CG-OD1 3.25Å; K104-D106 IonicContact NZ-OD1 2.85Å; K104-D106 PolarHBondContact O-N 2.9Å
105K91.6Very high94.1Very high141 Ų14169.3 Ų69.361%0.61333%0.333SS*.  trans-84.585.9173.2-71.2-175174.8178.10110.6K107 A110 I112K105-K107 VanDerWaalsContact C-N 3.27Å; K105-K107 PolarHBondContact O-N 3.03Å; K105-A110 WeakPolarHBondContact CE-O 3.43Å; K105-I112 HydrophobicContact CG-CD1 4.18Å; K105-I112 HydrophobicContact CG-CG1 3.95Å
106D80.5Confident94.1Very high117 Ų11774 Ų7463%0.62636%0.357SS*.SBendtrans-73.3-18.9175.2-76.2-31000113.6K104K104-D106 WeakPolarHBondContact CD-OD1 3.2Å; K104-D106 WeakPolarHBondContact CE-OD1 3.41Å; K104-D106 WeakPolarHBondContact CG-OD1 3.25Å; K104-D106 IonicContact NZ-OD1 2.85Å; K104-D106 PolarHBondContact O-N 2.9Å
107K81.9Confident94.1Very high171 Ų17174 Ų7474%0.74336%0.357SS*.SBendtrans-135.9157173.6-66.5-176.4-177.5177.80110.3K105 R109 A110K105-K107 VanDerWaalsContact C-N 3.27Å; K105-K107 PolarHBondContact O-N 3.03Å; K107-R109 PolarHBondContact O-N 3.3Å; K107-A110 PolarHBondContact O-N 2.87Å
108S84.6Confident94.1Very high106 Ų10673.6 Ų73.674%0.74136%0.355SS*.THydrogen-bonded Turntrans-57.7131.4172.6-174.70000110.5
109R91.4Very high94.2Very high234 Ų23477 Ų7788%0.88337%0.373SS*.THydrogen-bonded Turntrans66.922.8179.9-56175.1-72.9-139.4-0.7116.6K107K107-R109 PolarHBondContact O-N 3.3Å
110A93.7Very high94.2Very high33 Ų3377 Ų7727%0.27338%0.376SS..  trans-79.2149166.200000112K105 K107K105-A110 WeakPolarHBondContact CE-O 3.43Å; K107-A110 PolarHBondContact O-N 2.87Å
111P95.5Very high94.3Very high83 Ų8376.7 Ų76.754%0.53937%0.374SS..  trans-74159.9169.933.2-35.3000111.2
112I97.4Very high94.5Very high59 Ų5972.8 Ų72.830%0.30337%0.365SS..  trans-10578.5163.3-56.7175.4000106.3Q102 D103 K105 A114 K115 L116 F142Q102-I112 CarbonylContact O-C 3.59Å; D103-I112 VanDerWaalsContact O-CG2 3.3Å; D103-I112 WeakPolarHBondContact O-CG2 2.89Å; K105-I112 HydrophobicContact CG-CD1 4.18Å; K105-I112 HydrophobicContact CG-CG1 3.95Å; I112-A114 VanDerWaalsContact C-N 3.28Å; I112-A114 PolarHBondContact O-N 2.69Å; I112-K115 HydrophobicContact CB-CB 4.23Å; I112-K115 HydrophobicContact CG2-CB 3.64Å; I112-K115 PolarHBondContact O-N 2.89Å; I112-K115 VanDerWaalsContact O-N 3.1Å; I112-L116 PolarHBondContact O-N 3.19Å; I112-L116 VanDerWaalsContact O-N 3.12Å; I112-F142 HydrophobicContact CG2-CE2 4.13Å; I112-F142 HydrophobicContact CG2-CZ 4.08Å
113S98Very high94.6Very high15 Ų1574.7 Ų74.711%0.10538%0.382CS..Hα-helixtrans-65.6-31.9-170.8-53.70000112.2Q102 K115 L116 V117Q102-S113 PolarHBondContact O-N 2.81Å; Q102-S113 PolarHBondContact OE1-OG 2.95Å; S113-K115 VanDerWaalsContact C-N 3.28Å; S113-K115 PolarHBondContact O-N 3.31Å; S113-L116 WeakPolarHBondContact O-CB 3.41Å; S113-L116 PolarHBondContact O-N 2.76Å; S113-L116 VanDerWaalsContact O-N 3.15Å; S113-V117 WeakPolarHBondContact O-CG2 3.44Å; S113-V117 PolarHBondContact O-N 2.91Å
114A98Very high94.8Very high0 Ų074.2 Ų74.20%038%0.38CS..Hα-helixtrans-60.2-37.8173.200000112.1Q102 I112 V117 A118 F142Q102-A114 PolarHBondContact O-N 3.39Å; Q102-A114 VanDerWaalsContact O-N 3.12Å; I112-A114 VanDerWaalsContact C-N 3.28Å; I112-A114 PolarHBondContact O-N 2.69Å; A114-V117 PolarHBondContact O-N 3.44Å; A114-A118 PolarHBondContact O-N 2.84Å; A114-F142 HydrophobicContact CB-CD2 4.16Å; A114-F142 HydrophobicContact CB-CE2 3.85Å
115K98.4Very high95.1Very high73 Ų7369.2 Ų69.232%0.31736%0.362SS..Hα-helixtrans-70.4-37.7174.1177.357.7-171.7-107.60111.9I112 S113 V117 A118 N119 F142I112-K115 HydrophobicContact CB-CB 4.23Å; I112-K115 HydrophobicContact CG2-CB 3.64Å; I112-K115 PolarHBondContact O-N 2.89Å; I112-K115 VanDerWaalsContact O-N 3.1Å; S113-K115 VanDerWaalsContact C-N 3.28Å; S113-K115 PolarHBondContact O-N 3.31Å; K115-V117 VanDerWaalsContact C-N 3.34Å; K115-A118 PolarHBondContact O-N 3.43Å; K115-N119 WeakPolarHBondContact CE-OD1 3.19Å; K115-N119 VanDerWaalsContact O-CG 3.3Å; K115-N119 PolarHBondContact O-N 3.3Å; K115-F142 HydrophobicContact CB-CD1 4.44Å; K115-F142 HydrophobicContact CB-CD2 3.88Å; K115-F142 HydrophobicContact CB-CE2 4.15Å; K115-F142 HydrophobicContact CB-CG 4.06Å; K115-F142 HydrophobicContact CD-CB 3.61Å; K115-F142 HydrophobicContact CD-CD1 4.12Å; K115-F142 HydrophobicContact CD-CD2 4.46Å; K115-F142 HydrophobicContact CD-CG 3.83Å; K115-F142 WeakPolarHBondContact CE-O 3.45Å; K115-F142 HydrophobicContact CG-CG 4.49Å
116L98.7Very high95.4Very high99 Ų9962.7 Ų62.752%0.51833%0.334SS..Hα-helixtrans-60.4-45.8173.4176.562.2000111I112 S113 A118 N119 M120I112-L116 PolarHBondContact O-N 3.19Å; I112-L116 VanDerWaalsContact O-N 3.12Å; S113-L116 WeakPolarHBondContact O-CB 3.41Å; S113-L116 PolarHBondContact O-N 2.76Å; S113-L116 VanDerWaalsContact O-N 3.15Å; L116-A118 PolarHBondContact O-N 2.97Å; L116-N119 WeakPolarHBondContact O-CB 3.5Å; L116-N119 PolarHBondContact O-N 3.49Å; L116-M120 HydrophobicContact CD1-CG 4.41Å; L116-M120 HydrophobicContact CG-CE 4.15Å; L116-M120 HydrophobicContact CG-SD 4.44Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å; L116-M120 PolarHBondContact O-N 3.36Å
117V98.6Very high96.3Very high3 Ų359.7 Ų59.72%0.01832%0.318CS..Hα-helixtrans-60.3-45.3175.7172.30000111.4L72 F97 P98 Y99 S113 A114 K115 N119 M120 L121L72-V117 HydrophobicContact CD1-CG1 4.02Å; L72-V117 HydrophobicContact CD2-CG2 3.93Å; F97-V117 HydrophobicContact CE1-CB 4.46Å; F97-V117 HydrophobicContact CE1-CG1 4.1Å; F97-V117 HydrophobicContact CZ-CB 4.49Å; F97-V117 HydrophobicContact CZ-CG1 3.85Å; P98-V117 HydrophobicContact CG-CG1 4.09Å; Y99-V117 HydrophobicContact CD2-CG2 3.83Å; Y99-V117 HydrophobicContact CG-CG2 4.3Å; S113-V117 WeakPolarHBondContact O-CG2 3.44Å; S113-V117 PolarHBondContact O-N 2.91Å; A114-V117 PolarHBondContact O-N 3.44Å; K115-V117 VanDerWaalsContact C-N 3.34Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 2.94Å; V117-M120 HydrophobicContact CB-CE 4.43Å; V117-M120 HydrophobicContact CG2-CE 4Å; V117-M120 PolarHBondContact O-N 3.23Å; V117-M120 VanDerWaalsContact O-N 3.15Å; V117-L121 HydrophobicContact CG1-CD1 3.89Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CG 3.23Å; V117-L121 PolarHBondContact O-N 3.48Å
118A98.7Very high97.1Very high0 Ų052.1 Ų52.10%029%0.285CS..Hα-helixtrans-56.7-46.1175.900000111.7A114 K115 L116 M120 L121 S122 F142 F143A114-A118 PolarHBondContact O-N 2.84Å; K115-A118 PolarHBondContact O-N 3.43Å; L116-A118 PolarHBondContact O-N 2.97Å; A118-M120 PolarHBondContact O-N 2.88Å; A118-L121 PolarHBondContact O-N 3.18Å; A118-S122 PolarHBondContact O-N 2.7Å; A118-S122 PolarHBondContact O-OG 3.32Å; A118-S122 VanDerWaalsContact O-OG 3.05Å; A118-F142 HydrophobicContact CB-CB 3.75Å; A118-F143 VanDerWaalsContact CA-CE1 3.46Å; A118-F143 VanDerWaalsContact CA-CZ 3.46Å; A118-F143 HydrophobicContact CB-CD1 3.97Å; A118-F143 HydrophobicContact CB-CD2 3.91Å; A118-F143 HydrophobicContact CB-CE1 3.62Å; A118-F143 HydrophobicContact CB-CE2 3.56Å; A118-F143 HydrophobicContact CB-CG 4.12Å; A118-F143 HydrophobicContact CB-CZ 3.41Å; A118-F143 VanDerWaalsContact CB-CZ 3.41Å
119N98.7Very high97.7Very high78 Ų7847.1 Ų47.142%0.41725%0.25SC..Hα-helixtrans-61.7-41.4176-70.6-10.7000112.6K115 L116 V117 S122 V123K115-N119 WeakPolarHBondContact CE-OD1 3.19Å; K115-N119 VanDerWaalsContact O-CG 3.3Å; K115-N119 PolarHBondContact O-N 3.3Å; L116-N119 WeakPolarHBondContact O-CB 3.5Å; L116-N119 PolarHBondContact O-N 3.49Å; V117-N119 VanDerWaalsContact C-N 3.31Å; V117-N119 PolarHBondContact O-N 2.94Å; N119-S122 PolarHBondContact O-N 3.3Å; N119-V123 WeakPolarHBondContact O-CG1 3.24Å; N119-V123 PolarHBondContact O-N 3.27Å
120M98.8Very high98.1Very high56 Ų5636 Ų3628%0.27621%0.208SC..Hα-helixtrans-63.9-41.9178.4-71.4-172.1-60.400111.8L72 L76 L116 V117 A118 V123 S124L72-M120 HydrophobicContact CD2-CE 3.78Å; L76-M120 HydrophobicContact CD1-CB 4Å; L76-M120 HydrophobicContact CD1-SD 4.3Å; L76-M120 HydrophobicContact CD2-CB 3.99Å; L76-M120 WeakPolarHBondContact CD2-O 3.46Å; L116-M120 HydrophobicContact CD1-CG 4.41Å; L116-M120 HydrophobicContact CG-CE 4.15Å; L116-M120 HydrophobicContact CG-SD 4.44Å; L116-M120 WeakPolarHBondContact O-CG 3.37Å; L116-M120 PolarHBondContact O-N 3.36Å; V117-M120 HydrophobicContact CB-CE 4.43Å; V117-M120 HydrophobicContact CG2-CE 4Å; V117-M120 PolarHBondContact O-N 3.23Å; V117-M120 VanDerWaalsContact O-N 3.15Å; A118-M120 PolarHBondContact O-N 2.88Å; M120-V123 WeakPolarHBondContact O-CG1 3.43Å; M120-S124 WeakPolarHBondContact O-CB 3.47Å; M120-S124 PolarHBondContact O-N 3.29Å; M120-S124 PolarHBondContact O-OG 2.92Å
121L98.8Very high98.3Very high0 Ų034.4 Ų34.40%020%0.195CC..Hα-helixtrans-65.7-41.4175.6-72.1165000112.1L75 L76 I79 I94 F97 V117 A118 S124 A126 I129 F143L75-L121 HydrophobicContact CD2-CD2 3.76Å; L75-L121 HydrophobicContact CG-CD2 4.18Å; L76-L121 HydrophobicContact CD2-CD2 3.92Å; L76-L121 HydrophobicContact CD2-CG 4.22Å; I79-L121 HydrophobicContact CD1-CD2 3.69Å; I94-L121 HydrophobicContact CD1-CD1 3.72Å; I94-L121 HydrophobicContact CD1-CD2 4.25Å; F97-L121 HydrophobicContact CE2-CD1 4.04Å; F97-L121 HydrophobicContact CZ-CD1 4.25Å; V117-L121 HydrophobicContact CG1-CD1 3.89Å; V117-L121 HydrophobicContact CG1-CG 4.43Å; V117-L121 WeakPolarHBondContact O-CG 3.23Å; V117-L121 PolarHBondContact O-N 3.48Å; A118-L121 PolarHBondContact O-N 3.18Å; L121-S124 PolarHBondContact O-OG 2.85Å; L121-A126 VanDerWaalsContact O-CB 3.25Å; L121-A126 WeakPolarHBondContact O-CB 3.35Å; L121-A126 PolarHBondContact O-N 3.26Å; L121-A126 VanDerWaalsContact O-N 3.17Å; L121-I129 HydrophobicContact CD1-CD1 4.37Å; L121-F143 HydrophobicContact CB-CE1 4.11Å; L121-F143 HydrophobicContact CD1-CE1 4.11Å; L121-F143 HydrophobicContact CD1-CZ 3.99Å
122S98.3Very high98.5Very high38 Ų3830.4 Ų30.427%0.26617%0.169SC..Hα-helixtrans-63.7-46.6176.5-610000111.5A118 N119 G125A118-S122 PolarHBondContact O-N 2.7Å; A118-S122 PolarHBondContact O-OG 3.32Å; A118-S122 VanDerWaalsContact O-OG 3.05Å; N119-S122 PolarHBondContact O-N 3.3Å; S122-G125 PolarHBondContact O-N 3.28Å
123V98.6Very high98.5Very high123 Ų12328.5 Ų28.575%0.74516%0.16SC*.Hα-helixtrans-74.2-26.6-177.6760000113.2N119 M120 G125N119-V123 WeakPolarHBondContact O-CG1 3.24Å; N119-V123 PolarHBondContact O-N 3.27Å; M120-V123 WeakPolarHBondContact O-CG1 3.43Å; V123-G125 PolarHBondContact O-N 2.89Å
124S98.3Very high98.4Very high14 Ų1428.4 Ų28.410%0.09816%0.158CC..Hα-helixtrans-68.8-16.5172.566.40000112.8I79 N80 M120 L121I79-S124 WeakPolarHBondContact CG2-OG 3.37Å; N80-S124 WeakPolarHBondContact CA-O 2.93Å; M120-S124 WeakPolarHBondContact O-CB 3.47Å; M120-S124 PolarHBondContact O-N 3.29Å; M120-S124 PolarHBondContact O-OG 2.92Å; L121-S124 PolarHBondContact O-OG 2.85Å
125G98.3Very high98.3Very high11 Ų1131.7 Ų31.711%0.11317%0.173CC..THydrogen-bonded Turntrans110.320.617200000115S122 V123S122-G125 PolarHBondContact O-N 3.28Å; V123-G125 PolarHBondContact O-N 2.89Å
126A98.6Very high98.1Very high4 Ų428.7 Ų28.73%0.03316%0.162CC..  trans-65.2133.5170.700000110.2I79 L121 I129 I145I79-A126 HydrophobicContact CD1-CB 4.33Å; I79-A126 HydrophobicContact CG2-CB 4.27Å; L121-A126 VanDerWaalsContact O-CB 3.25Å; L121-A126 WeakPolarHBondContact O-CB 3.35Å; L121-A126 PolarHBondContact O-N 3.26Å; L121-A126 VanDerWaalsContact O-N 3.17Å; A126-I129 HydrophobicContact CB-CD1 4.22Å; A126-I145 HydrophobicContact CB-CD1 4.05Å; A126-I145 WeakPolarHBondContact O-CD1 3.22Å
127D98.6Very high97.9Very high53 Ų5327 Ų2728%0.28316%0.158SC..  trans-100.7-17.8178-59.7-65.4000111.7K83 R89 V90 P146K83-D127 IonicContact NZ-OD1 3.82Å; K83-D127 PolarHBondContact NZ-OD1 3.18Å; K83-D127 IonicContact NZ-OD2 2.88Å; K83-D127 PolarHBondContact NZ-OD2 2.94Å; R89-D127 WeakPolarHBondContact CA-OD2 3.41Å; R89-D127 HydrophobicContact CG-CB 3.8Å; V90-D127 PolarHBondContact N-OD2 3.05Å; V90-D127 PolarHBondContact O-N 3.22Å; D127-P146 WeakPolarHBondContact O-CD 3.39Å
128H98.7Very high97.8Very high13 Ų1332.7 Ų32.76%0.0619%0.185CC..EExtended strand (participates in β ladder)trans-156147.7-176.2-172.4-111.6000111.4S91 A92 I130 P146 D148S91-H128 CarbonylContact C-O 3.51Å; S91-H128 WeakPolarHBondContact CA-O 3.41Å; A92-H128 PolarHBondContact N-O 2.97Å; H128-I130 VanDerWaalsContact CE1-CG1 3.41Å; H128-I130 WeakPolarHBondContact CE1-CG1 3.48Å; H128-P146 PolarHBondContact CD2-O 3.39Å; H128-P146 VanDerWaalsContact CD2-O 3.24Å; H128-D148 IonicContact CE1-OD2 3.68Å; H128-D148 PolarHBondContact CE1-OD2 2.88Å; H128-D148 IonicContact NE2-OD2 2.93Å; H128-D148 PolarHBondContact NE2-OD2 3.28Å
129I98.8Very high97.8Very high0 Ų032.7 Ų32.70%019%0.185CC..EExtended strand (participates in β ladder)trans-121130.9173.2-52.2-63000109.6A92 I94 L121 A126 F143 I145 P146 V147 D148A92-I129 HydrophobicContact CB-CD1 3.8Å; A92-I129 WeakPolarHBondContact O-CA 3.4Å; I94-I129 HydrophobicContact CD1-CG2 4.39Å; L121-I129 HydrophobicContact CD1-CD1 4.37Å; A126-I129 HydrophobicContact CB-CD1 4.22Å; I129-F143 HydrophobicContact CD1-CE1 4Å; I129-F143 HydrophobicContact CD1-CZ 4.44Å; I129-F143 HydrophobicContact CG1-CD1 4.02Å; I129-F143 HydrophobicContact CG1-CE1 3.75Å; I129-F143 HydrophobicContact CG1-CZ 4.09Å; I129-I145 HydrophobicContact CD1-CD1 4.08Å; I129-I145 HydrophobicContact CG1-CD1 3.88Å; I129-I145 HydrophobicContact CG1-CG1 4.41Å; I129-P146 PolarHBondContact N-O 2.97Å; I129-V147 HydrophobicContact CB-CB 4.41Å; I129-V147 HydrophobicContact CB-CG1 4.12Å; I129-V147 HydrophobicContact CB-CG2 4.1Å; I129-V147 HydrophobicContact CG1-CG2 4.27Å; I129-V147 HydrophobicContact CG2-CG1 4.19Å; I129-V147 CarbonylContact O-C 3.58Å; I129-V147 WeakPolarHBondContact O-CA 3.19Å; I129-D148 PolarHBondContact O-N 2.94Å
130I98.8Very high97.8Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-113.5123.5165.6-59.6176.1000106.9Y59 A92 V93 I94 H128 D148 L150 L301 A304 I305Y59-I130 HydrophobicContact CD1-CD1 4.43Å; Y59-I130 HydrophobicContact CE1-CD1 4.22Å; A92-I130 PolarHBondContact O-N 3.25Å; V93-I130 CarbonylContact C-O 3.35Å; V93-I130 WeakPolarHBondContact CA-O 3.4Å; V93-I130 HydrophobicContact CG1-CB 4.42Å; V93-I130 HydrophobicContact CG1-CG2 4.46Å; V93-I130 HydrophobicContact CG2-CB 4.32Å; V93-I130 HydrophobicContact CG2-CD1 4.34Å; I94-I130 PolarHBondContact N-O 2.82Å; H128-I130 VanDerWaalsContact CE1-CG1 3.41Å; H128-I130 WeakPolarHBondContact CE1-CG1 3.48Å; I130-D148 HydrophobicContact CG1-CB 4.36Å; I130-L150 HydrophobicContact CG2-CD1 3.85Å; I130-L150 HydrophobicContact CG2-CG 4.2Å; I130-L301 HydrophobicContact CG2-CD2 4.26Å; I130-A304 HydrophobicContact CG2-CB 4.31Å; I130-I305 HydrophobicContact CD1-CG1 4.02Å
131T98.7Very high97.7Very high0 Ų032.4 Ų32.40%020%0.197CC..EExtended strand (participates in β ladder)trans-140.3174.2179.8-168.20000110.5I94 L134 V147 D148 N149 L150I94-T131 VanDerWaalsContact O-CA 3.29Å; I94-T131 WeakPolarHBondContact O-CA 3.39Å; I94-T131 VanDerWaalsContact O-CB 3.28Å; I94-T131 WeakPolarHBondContact O-CB 3.31Å; I94-T131 PolarHBondContact O-OG1 3.22Å; T131-L134 HydrophobicContact CG2-CD1 3.81Å; T131-L134 HydrophobicContact CG2-CD2 3.93Å; T131-L134 HydrophobicContact CG2-CG 3.64Å; T131-V147 HydrophobicContact CG2-CG1 4.22Å; T131-D148 PolarHBondContact N-O 3.26Å; T131-N149 HydrophobicContact CG2-CB 4.34Å; T131-L150 WeakPolarHBondContact O-CB 3.28Å; T131-L150 WeakPolarHBondContact O-CG 3.48Å; T131-L150 PolarHBondContact O-N 2.87Å
132M98.3Very high97.7Very high0 Ų034.1 Ų34.10%020%0.204CC..EExtended strand (participates in β ladder)trans-132.8134.6-178.9-177169.4-72.200110.2L134 L150 A152 T254 H255 T279 I297 I300 L301M132-L134 PolarHBondContact O-N 3.14Å; M132-L150 CarbonylContact C-O 3.59Å; M132-L150 WeakPolarHBondContact CA-O 3.29Å; M132-L150 HydrophobicContact CB-CB 4.49Å; M132-L150 HydrophobicContact CE-CB 4.12Å; M132-L150 HydrophobicContact CE-CD1 4.39Å; M132-A152 HydrophobicContact SD-CB 4.17Å; M132-T254 HydrophobicContact CG-CG2 4.07Å; M132-T254 HydrophobicContact SD-CG2 4.22Å; M132-H255 PolarHBondContact O-CE1 2.98Å; M132-H255 PolarHBondContact O-NE2 3.43Å; M132-H255 VanDerWaalsContact O-NE2 3.13Å; M132-T279 HydrophobicContact CB-CG2 4.35Å; M132-T279 HydrophobicContact CG-CG2 4.37Å; M132-T279 HydrophobicContact SD-CG2 3.73Å; M132-I297 HydrophobicContact CE-CB 3.96Å; M132-I297 HydrophobicContact CE-CG1 4.26Å; M132-I297 HydrophobicContact CE-CG2 4.29Å; M132-I297 HydrophobicContact SD-CB 4.06Å; M132-I297 HydrophobicContact SD-CG1 3.97Å; M132-I297 HydrophobicContact SD-CG2 3.99Å; M132-I300 HydrophobicContact CE-CB 4.28Å; M132-I300 HydrophobicContact CE-CG2 3.82Å; M132-L301 HydrophobicContact CE-CD2 4.47Å
133D97.4Very high97.7Very high19 Ų1933 Ų3310%0.10219%0.194CC..SBendtrans40.659.1176.8-69-53.5000114.4H135 N149 L150 Y151 A152 T254 H255D133-H135 PolarHBondContact O-N 2.99Å; D133-N149 PolarHBondContact N-OD1 2.87Å; D133-L150 PolarHBondContact N-O 2.74Å; D133-Y151 WeakPolarHBondContact OD1-CD1 3.27Å; D133-A152 WeakPolarHBondContact OD2-CB 3.5Å; D133-A152 PolarHBondContact OD2-N 3.18Å; D133-T254 HydrophobicContact CB-CG2 3.92Å; D133-T254 WeakPolarHBondContact OD2-CB 3.42Å; D133-T254 WeakPolarHBondContact OD2-CG2 3.36Å; D133-T254 PolarHBondContact OD2-OG1 3.33Å; D133-H255 PolarHBondContact O-NE2 3.06Å
134L97.6Very high97.7Very high13 Ų1334.9 Ų34.97%0.06820%0.2CC..  trans-48132.3171.2-76169.4000111.5F97 T131 M132 A136 I139 Q140 N149F97-L134 HydrophobicContact CB-CD2 3.52Å; F97-L134 HydrophobicContact CD1-CD2 4.2Å; F97-L134 HydrophobicContact CD2-CD2 4.15Å; F97-L134 HydrophobicContact CG-CD2 3.7Å; T131-L134 HydrophobicContact CG2-CD1 3.81Å; T131-L134 HydrophobicContact CG2-CD2 3.93Å; T131-L134 HydrophobicContact CG2-CG 3.64Å; M132-L134 PolarHBondContact O-N 3.14Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-A136 VanDerWaalsContact O-N 3.09Å; L134-I139 HydrophobicContact CD1-CB 4.09Å; L134-I139 HydrophobicContact CD1-CG2 4.18Å; L134-I139 HydrophobicContact CD2-CB 4.22Å; L134-I139 HydrophobicContact CD2-CD1 4.19Å; L134-I139 HydrophobicContact CD2-CG2 3.87Å; L134-Q140 HydrophobicContact CD1-CG 3.84Å; L134-N149 HydrophobicContact CD1-CB 4.09Å; L134-N149 VanDerWaalsContact CG-OD1 3.31Å; L134-N149 WeakPolarHBondContact CG-OD1 3.47Å; L134-N149 PolarHBondContact N-OD1 2.9Å
135H95.6Very high97.7Very high68 Ų6836 Ų3632%0.31521%0.205SC..SBendtrans-49.3-41.9179.4-176.863.2000112.5A100 D133 D226 M227A100-H135 HydrophobicContact CB-CB 3.74Å; D133-H135 PolarHBondContact O-N 2.99Å; H135-D226 IonicContact CE1-OD2 2.59Å; H135-D226 IonicContact CG-OD2 2.9Å; H135-D226 IonicContact ND1-OD1 3.61Å; H135-D226 IonicContact ND1-OD2 3.86Å; H135-D226 PolarHBondContact ND1-OD2 3.02Å; H135-M227 HydrophobicContact CB-CE 4.19Å
136A94.4Very high97.7Very high11 Ų1139.6 Ų39.69%0.09123%0.226CC..SBendtrans-128128.4171.200000109.6D103 L134 Q138 I139D103-A136 HydrophobicContact CB-CB 4.4Å; D103-A136 VanDerWaalsContact OD2-CB 3.26Å; D103-A136 WeakPolarHBondContact OD2-CB 3.38Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-A136 VanDerWaalsContact O-N 3.09Å; A136-Q138 PolarHBondContact O-N 3.31Å; A136-Q138 VanDerWaalsContact O-N 3.11Å; A136-I139 HydrophobicContact CB-CD1 4.32Å; A136-I139 HydrophobicContact CB-CG1 4.33Å; A136-I139 WeakPolarHBondContact O-CB 3.35Å; A136-I139 WeakPolarHBondContact O-CG1 3.22Å; A136-I139 PolarHBondContact O-N 3.28Å
137S94Very high97.7Very high62 Ų6240.3 Ų40.343%0.43423%0.23SC..G310 helixtrans-61.6-24-179.564.10000112.8I139 Q140S137-I139 PolarHBondContact O-N 3.04Å; S137-Q140 PolarHBondContact O-N 3.49Å; S137-Q140 PolarHBondContact O-NE2 3.44Å
138Q96.7Very high97.6Very high124 Ų12439.4 Ų39.458%0.57923%0.225SC*.G310 helixtrans-64.7-18.6177.2-65.87612.200113.2A136 Q140 G141A136-Q138 PolarHBondContact O-N 3.31Å; A136-Q138 VanDerWaalsContact O-N 3.11Å; Q138-Q140 PolarHBondContact O-N 3.4Å; Q138-G141 WeakPolarHBondContact O-CA 3.49Å; Q138-G141 PolarHBondContact O-N 3.15Å
139I97.9Very high97.6Very high0 Ų039 Ų390%022%0.223CC..G310 helixtrans-59.1-27.6175.7-66167.7000111F97 A100 D103 L134 A136 S137 G141 F142 F143F97-I139 HydrophobicContact CD1-CG2 4.4Å; F97-I139 HydrophobicContact CE1-CG2 4.15Å; F97-I139 HydrophobicContact CZ-CG2 4.45Å; A100-I139 HydrophobicContact CB-CD1 3.91Å; D103-I139 HydrophobicContact CB-CD1 4.32Å; D103-I139 HydrophobicContact CB-CG1 4.16Å; L134-I139 HydrophobicContact CD1-CB 4.09Å; L134-I139 HydrophobicContact CD1-CG2 4.18Å; L134-I139 HydrophobicContact CD2-CB 4.22Å; L134-I139 HydrophobicContact CD2-CD1 4.19Å; L134-I139 HydrophobicContact CD2-CG2 3.87Å; A136-I139 HydrophobicContact CB-CD1 4.32Å; A136-I139 HydrophobicContact CB-CG1 4.33Å; A136-I139 WeakPolarHBondContact O-CB 3.35Å; A136-I139 WeakPolarHBondContact O-CG1 3.22Å; A136-I139 PolarHBondContact O-N 3.28Å; S137-I139 PolarHBondContact O-N 3.04Å; I139-G141 PolarHBondContact O-N 2.93Å; I139-F142 HydrophobicContact CB-CD2 4.25Å; I139-F142 HydrophobicContact CB-CE2 4.44Å; I139-F142 HydrophobicContact CG1-CD2 4.2Å; I139-F142 HydrophobicContact CG1-CE2 3.92Å; I139-F142 HydrophobicContact CG2-CD2 4.1Å; I139-F142 VanDerWaalsContact O-CB 3.24Å; I139-F142 WeakPolarHBondContact O-CB 3.46Å; I139-F142 PolarHBondContact O-N 2.97Å; I139-F143 HydrophobicContact CG2-CE2 4.42Å
140Q97.8Very high97.5Very high67 Ų6739 Ų3931%0.31322%0.224SC..G310 helixtrans-56.3-38.5171.4-68.7176.479.800111.9L134 S137 Q138 F142 F143 V147 N149L134-Q140 HydrophobicContact CD1-CG 3.84Å; S137-Q140 PolarHBondContact O-N 3.49Å; S137-Q140 PolarHBondContact O-NE2 3.44Å; Q138-Q140 PolarHBondContact O-N 3.4Å; Q140-F142 PolarHBondContact O-N 3.34Å; Q140-F143 PolarHBondContact O-N 2.96Å; Q140-V147 HydrophobicContact CG-CB 4.21Å; Q140-V147 HydrophobicContact CG-CG1 3.98Å; Q140-N149 HydrophobicContact CG-CB 4.21Å
141G98Very high97.4Very high61 Ų6142.5 Ų42.563%0.62924%0.237SC*.G310 helixtrans-75.21.6176.200000114.6Q138 I139 F143Q138-G141 WeakPolarHBondContact O-CA 3.49Å; Q138-G141 PolarHBondContact O-N 3.15Å; I139-G141 PolarHBondContact O-N 2.93Å; G141-F143 VanDerWaalsContact C-N 3.32Å
142F98.4Very high97.3Very high35 Ų3542.5 Ų42.515%0.15424%0.237CC..G310 helixtrans-81-18.2169.4-66.1-9.8000112.7D103 I112 A114 K115 A118 I139 Q140D103-F142 HydrophobicContact CB-CE2 4.28Å; D103-F142 HydrophobicContact CB-CZ 4.4Å; D103-F142 WeakPolarHBondContact O-CZ 3.45Å; I112-F142 HydrophobicContact CG2-CE2 4.13Å; I112-F142 HydrophobicContact CG2-CZ 4.08Å; A114-F142 HydrophobicContact CB-CD2 4.16Å; A114-F142 HydrophobicContact CB-CE2 3.85Å; K115-F142 HydrophobicContact CB-CD1 4.44Å; K115-F142 HydrophobicContact CB-CD2 3.88Å; K115-F142 HydrophobicContact CB-CE2 4.15Å; K115-F142 HydrophobicContact CB-CG 4.06Å; K115-F142 HydrophobicContact CD-CB 3.61Å; K115-F142 HydrophobicContact CD-CD1 4.12Å; K115-F142 HydrophobicContact CD-CD2 4.46Å; K115-F142 HydrophobicContact CD-CG 3.83Å; K115-F142 WeakPolarHBondContact CE-O 3.45Å; K115-F142 HydrophobicContact CG-CG 4.49Å; A118-F142 HydrophobicContact CB-CB 3.75Å; I139-F142 HydrophobicContact CB-CD2 4.25Å; I139-F142 HydrophobicContact CB-CE2 4.44Å; I139-F142 HydrophobicContact CG1-CD2 4.2Å; I139-F142 HydrophobicContact CG1-CE2 3.92Å; I139-F142 HydrophobicContact CG2-CD2 4.1Å; I139-F142 VanDerWaalsContact O-CB 3.24Å; I139-F142 WeakPolarHBondContact O-CB 3.46Å; I139-F142 PolarHBondContact O-N 2.97Å; Q140-F142 PolarHBondContact O-N 3.34Å
143F98.4Very high97.2Very high14 Ų1443.7 Ų43.76%0.06124%0.243CC..  trans-102.2144.3178.2-66-90000110.9F97 A118 L121 I129 I139 Q140 G141 I145 V147F97-F143 AromaticContact CE2-CE2 3.99Å; F97-F143 HydrophobicContact CE2-CE2 3.99Å; F97-F143 AromaticContact CE2-CZ 3.7Å; F97-F143 HydrophobicContact CE2-CZ 3.7Å; F97-F143 AromaticContact CZ-CE2 3.88Å; F97-F143 HydrophobicContact CZ-CE2 3.88Å; F97-F143 AromaticContact CZ-CZ 3.66Å; F97-F143 HydrophobicContact CZ-CZ 3.66Å; A118-F143 VanDerWaalsContact CA-CE1 3.46Å; A118-F143 VanDerWaalsContact CA-CZ 3.46Å; A118-F143 HydrophobicContact CB-CD1 3.97Å; A118-F143 HydrophobicContact CB-CD2 3.91Å; A118-F143 HydrophobicContact CB-CE1 3.62Å; A118-F143 HydrophobicContact CB-CE2 3.56Å; A118-F143 HydrophobicContact CB-CG 4.12Å; A118-F143 HydrophobicContact CB-CZ 3.41Å; A118-F143 VanDerWaalsContact CB-CZ 3.41Å; L121-F143 HydrophobicContact CB-CE1 4.11Å; L121-F143 HydrophobicContact CD1-CE1 4.11Å; L121-F143 HydrophobicContact CD1-CZ 3.99Å; I129-F143 HydrophobicContact CD1-CE1 4Å; I129-F143 HydrophobicContact CD1-CZ 4.44Å; I129-F143 HydrophobicContact CG1-CD1 4.02Å; I129-F143 HydrophobicContact CG1-CE1 3.75Å; I129-F143 HydrophobicContact CG1-CZ 4.09Å; I139-F143 HydrophobicContact CG2-CE2 4.42Å; Q140-F143 PolarHBondContact O-N 2.96Å; G141-F143 VanDerWaalsContact C-N 3.32Å; F143-I145 HydrophobicContact CB-CG1 4.03Å; F143-I145 HydrophobicContact CD1-CD1 4.08Å; F143-I145 HydrophobicContact CD1-CG1 3.89Å; F143-I145 HydrophobicContact CG-CG1 4.37Å; F143-V147 HydrophobicContact CB-CG2 3.67Å; F143-V147 HydrophobicContact CD2-CG2 3.67Å; F143-V147 HydrophobicContact CE2-CG2 4.44Å; F143-V147 HydrophobicContact CG-CG2 3.73Å
144D97.7Very high97Very high163 Ų16343.2 Ų43.287%0.87224%0.241SC*.SBendtrans-94.3-11.9167.1-58.4-54.8000111.7
145I98.1Very high97Very high39 Ų3943 Ų4320%0.224%0.241CC..SBendtrans-88.5156.8171.860.7176.6000110.4A126 I129 F143A126-I145 HydrophobicContact CB-CD1 4.05Å; A126-I145 WeakPolarHBondContact O-CD1 3.22Å; I129-I145 HydrophobicContact CD1-CD1 4.08Å; I129-I145 HydrophobicContact CG1-CD1 3.88Å; I129-I145 HydrophobicContact CG1-CG1 4.41Å; F143-I145 HydrophobicContact CB-CG1 4.03Å; F143-I145 HydrophobicContact CD1-CD1 4.08Å; F143-I145 HydrophobicContact CD1-CG1 3.89Å; F143-I145 HydrophobicContact CG-CG1 4.37Å
146P98.2Very high97Very high85 Ų8540.1 Ų40.155%0.55223%0.228SC*.  trans-66.8141.2-179.7-7.921.9000111.6D127 H128 I129D127-P146 WeakPolarHBondContact O-CD 3.39Å; H128-P146 PolarHBondContact CD2-O 3.39Å; H128-P146 VanDerWaalsContact CD2-O 3.24Å; I129-P146 PolarHBondContact N-O 2.97Å
147V98.5Very high97.2Very high19 Ų1940.3 Ų40.312%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-127.1115.6179.7-177.20000108.7I129 T131 Q140 F143 N149I129-V147 HydrophobicContact CB-CB 4.41Å; I129-V147 HydrophobicContact CB-CG1 4.12Å; I129-V147 HydrophobicContact CB-CG2 4.1Å; I129-V147 HydrophobicContact CG1-CG2 4.27Å; I129-V147 HydrophobicContact CG2-CG1 4.19Å; I129-V147 CarbonylContact O-C 3.58Å; I129-V147 WeakPolarHBondContact O-CA 3.19Å; T131-V147 HydrophobicContact CG2-CG1 4.22Å; Q140-V147 HydrophobicContact CG-CB 4.21Å; Q140-V147 HydrophobicContact CG-CG1 3.98Å; F143-V147 HydrophobicContact CB-CG2 3.67Å; F143-V147 HydrophobicContact CD2-CG2 3.67Å; F143-V147 HydrophobicContact CE2-CG2 4.44Å; F143-V147 HydrophobicContact CG-CG2 3.73Å; V147-N149 PolarHBondContact O-N 3.35Å
148D98.2Very high97.3Very high34 Ų3442.2 Ų42.218%0.18223%0.228CC..EExtended strand (participates in β ladder)trans-89.298.3169-74.6-31.8000109H128 I129 I130 T131 L150 V314H128-D148 IonicContact CE1-OD2 3.68Å; H128-D148 PolarHBondContact CE1-OD2 2.88Å; H128-D148 IonicContact NE2-OD2 2.93Å; H128-D148 PolarHBondContact NE2-OD2 3.28Å; I129-D148 PolarHBondContact O-N 2.94Å; I130-D148 HydrophobicContact CG1-CB 4.36Å; T131-D148 PolarHBondContact N-O 3.26Å; D148-L150 HydrophobicContact CB-CD2 4.48Å; D148-L150 PolarHBondContact O-N 2.84Å; D148-V314 HydrophobicContact CB-CG1 4.4Å
149N97.8Very high97.4Very high5 Ų537.5 Ų37.53%0.02721%0.205CC..EExtended strand (participates in β ladder)trans-86.499.4171.4179.161.3000110.4T131 D133 L134 Q140 V147 Y151 F318T131-N149 HydrophobicContact CG2-CB 4.34Å; D133-N149 PolarHBondContact N-OD1 2.87Å; L134-N149 HydrophobicContact CD1-CB 4.09Å; L134-N149 VanDerWaalsContact CG-OD1 3.31Å; L134-N149 WeakPolarHBondContact CG-OD1 3.47Å; L134-N149 PolarHBondContact N-OD1 2.9Å; Q140-N149 HydrophobicContact CG-CB 4.21Å; V147-N149 PolarHBondContact O-N 3.35Å; N149-Y151 WeakPolarHBondContact ND2-CE1 3.33Å; N149-Y151 PolarHBondContact ND2-OH 3.13Å; N149-Y151 WeakPolarHBondContact O-CE2 3.5Å; N149-F318 WeakPolarHBondContact O-CE1 3.36Å
150L97.7Very high97.4Very high1 Ų137.5 Ų37.51%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-75.1161.5176.4-48.8-177000111I130 T131 M132 D133 D148 I300 L301 A304 V314 F318I130-L150 HydrophobicContact CG2-CD1 3.85Å; I130-L150 HydrophobicContact CG2-CG 4.2Å; T131-L150 WeakPolarHBondContact O-CB 3.28Å; T131-L150 WeakPolarHBondContact O-CG 3.48Å; T131-L150 PolarHBondContact O-N 2.87Å; M132-L150 CarbonylContact C-O 3.59Å; M132-L150 WeakPolarHBondContact CA-O 3.29Å; M132-L150 HydrophobicContact CB-CB 4.49Å; M132-L150 HydrophobicContact CE-CB 4.12Å; M132-L150 HydrophobicContact CE-CD1 4.39Å; D133-L150 PolarHBondContact N-O 2.74Å; D148-L150 HydrophobicContact CB-CD2 4.48Å; D148-L150 PolarHBondContact O-N 2.84Å; L150-I300 HydrophobicContact CD1-CG2 3.94Å; L150-L301 HydrophobicContact CD1-CD2 3.78Å; L150-A304 HydrophobicContact CD1-CB 3.65Å; L150-A304 HydrophobicContact CD2-CB 4.06Å; L150-A304 HydrophobicContact CG-CB 4.49Å; L150-V314 HydrophobicContact CD2-CG1 3.76Å; L150-F318 HydrophobicContact CD2-CE1 3.8Å
151Y96.3Very high97.3Very high73 Ų7339 Ų3929%0.28621%0.21SC..  trans-125135.6178.9-58.9-82.1000110.4D133 N149 P154 F318D133-Y151 WeakPolarHBondContact OD1-CD1 3.27Å; N149-Y151 WeakPolarHBondContact ND2-CE1 3.33Å; N149-Y151 PolarHBondContact ND2-OH 3.13Å; N149-Y151 WeakPolarHBondContact O-CE2 3.5Å; Y151-P154 WeakPolarHBondContact O-CD 3.16Å; Y151-F318 HydrophobicContact CD2-CB 4.01Å; Y151-F318 AromaticContact CD2-CD1 3.77Å; Y151-F318 HydrophobicContact CD2-CD1 3.77Å; Y151-F318 HydrophobicContact CD2-CE1 4.42Å; Y151-F318 AromaticContact CD2-CG 3.91Å; Y151-F318 HydrophobicContact CD2-CG 3.91Å; Y151-F318 HydrophobicContact CE2-CB 4.4Å; Y151-F318 HydrophobicContact CE2-CD1 4.09Å; Y151-F318 HydrophobicContact CE2-CD2 4.33Å; Y151-F318 HydrophobicContact CE2-CE1 4.45Å; Y151-F318 HydrophobicContact CE2-CG 4.03Å
152A96.4Very high97.3Very high0 Ų042.3 Ų42.30%021%0.209CC..SBendtrans-79-8.5169.700000112.5M132 D133 A155 V156 T254 T277M132-A152 HydrophobicContact SD-CB 4.17Å; D133-A152 WeakPolarHBondContact OD2-CB 3.5Å; D133-A152 PolarHBondContact OD2-N 3.18Å; A152-A155 WeakPolarHBondContact O-CA 3.38Å; A152-A155 WeakPolarHBondContact O-CB 3.44Å; A152-A155 PolarHBondContact O-N 3.17Å; A152-V156 HydrophobicContact CB-CG2 4.41Å; A152-V156 WeakPolarHBondContact O-CG2 3.32Å; A152-V156 PolarHBondContact O-N 2.67Å; A152-T254 HydrophobicContact CB-CG2 3.91Å; A152-T277 HydrophobicContact CB-CG2 3.94Å
153E95.7Very high97.3Very high25 Ų2544 Ų4412%0.11722%0.22CC..Hα-helixtrans-46.1-47.9-178.6173.9178.3-159.500113.7A155 V156 L157 S185 I186 R189E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.32Å; E153-V156 PolarHBondContact O-N 3.25Å; E153-L157 HydrophobicContact CG-CD1 3.92Å; E153-L157 HydrophobicContact CG-CG 4.33Å; E153-L157 WeakPolarHBondContact O-CB 3.39Å; E153-L157 WeakPolarHBondContact O-CG 3.37Å; E153-L157 PolarHBondContact O-N 3.43Å; E153-S185 PolarHBondContact OE1-OG 3.04Å; E153-I186 HydrophobicContact CG-CG1 4.05Å; E153-R189 VanDerWaalsContact CD-CZ 3.43Å; E153-R189 VanDerWaalsContact OE1-CD 3.28Å; E153-R189 WeakPolarHBondContact OE1-CD 3.47Å; E153-R189 IonicContact OE1-CZ 2.78Å; E153-R189 IonicContact OE1-NE 3.75Å; E153-R189 PolarHBondContact OE1-NE 3.12Å; E153-R189 IonicContact OE1-NH1 3.76Å; E153-R189 IonicContact OE1-NH2 2.64Å; E153-R189 IonicContact OE2-CZ 3.36Å; E153-R189 IonicContact OE2-NE 2.77Å; E153-R189 IonicContact OE2-NH1 2.81Å; E153-R189 PolarHBondContact OE2-NH1 3.15Å; E153-R189 IonicContact OE2-NH2 3.69Å; E153-R189 PolarHBondContact OE2-NH2 3.35Å
154P94.5Very high97.3Very high9 Ų943.4 Ų43.46%0.05822%0.218CC..Hα-helixtrans-59.9-39.1176.6-24.636.4000113.5Y151 K158 V321Y151-P154 WeakPolarHBondContact O-CD 3.16Å; P154-K158 PolarHBondContact O-N 3.18Å; P154-K158 VanDerWaalsContact O-N 3.08Å; P154-V321 HydrophobicContact CB-CG2 3.5Å; P154-V321 VanDerWaalsContact O-CG2 3.27Å; P154-V321 WeakPolarHBondContact O-CG2 3.25Å
155A96.1Very high97.2Very high9 Ų943.5 Ų43.57%0.07422%0.217CC..Hα-helixtrans-73.1-36.9179.100000111.8A152 E153 K158 W159 I295 I300 V321A152-A155 WeakPolarHBondContact O-CA 3.38Å; A152-A155 WeakPolarHBondContact O-CB 3.44Å; A152-A155 PolarHBondContact O-N 3.17Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.32Å; A155-K158 PolarHBondContact O-N 3.02Å; A155-W159 WeakPolarHBondContact O-CB 3.29Å; A155-W159 PolarHBondContact O-N 3.41Å; A155-I295 HydrophobicContact CB-CG2 3.85Å; A155-I300 HydrophobicContact CB-CD1 4.17Å; A155-V321 HydrophobicContact CB-CG2 4.36Å
156V97.1Very high97Very high6 Ų645.6 Ų45.64%0.03623%0.226CC..Hα-helixtrans-62.4-46.7172.5168.30000111A152 E153 K158 W159 I160 I252 I295A152-V156 HydrophobicContact CB-CG2 4.41Å; A152-V156 WeakPolarHBondContact O-CG2 3.32Å; A152-V156 PolarHBondContact O-N 2.67Å; E153-V156 PolarHBondContact O-N 3.25Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.48Å; V156-W159 PolarHBondContact O-N 2.89Å; V156-I160 HydrophobicContact CG1-CD1 3.8Å; V156-I160 HydrophobicContact CG1-CG1 4.38Å; V156-I160 WeakPolarHBondContact O-CG1 3.45Å; V156-I160 PolarHBondContact O-N 3.07Å; V156-I252 HydrophobicContact CB-CG2 4.37Å; V156-I252 HydrophobicContact CG1-CD1 3.97Å; V156-I252 HydrophobicContact CG1-CG2 3.8Å; V156-I252 HydrophobicContact CG2-CG2 3.71Å; V156-I295 HydrophobicContact CG2-CD1 4.32Å
157L96.9Very high97Very high15 Ų1544.1 Ų44.18%0.07921%0.209CC..Hα-helixtrans-59.7-42.4176.9-71.5168.1000111.8E153 K161 I186 R189 L190E153-L157 HydrophobicContact CG-CD1 3.92Å; E153-L157 HydrophobicContact CG-CG 4.33Å; E153-L157 WeakPolarHBondContact O-CB 3.39Å; E153-L157 WeakPolarHBondContact O-CG 3.37Å; E153-L157 PolarHBondContact O-N 3.43Å; L157-K161 WeakPolarHBondContact O-CG 3.19Å; L157-K161 PolarHBondContact O-N 3.21Å; L157-I186 HydrophobicContact CD2-CG2 3.93Å; L157-R189 HydrophobicContact CD1-CB 4.02Å; L157-R189 HydrophobicContact CD1-CG 4.47Å; L157-R189 HydrophobicContact CD2-CB 4.16Å; L157-L190 HydrophobicContact CD2-CD1 4.01Å; L157-L190 HydrophobicContact CD2-CD2 3.54Å; L157-L190 HydrophobicContact CD2-CG 3.45Å; L157-L190 VanDerWaalsContact CD2-CG 3.45Å
158K96.8Very high96.9Very high103 Ų10350.1 Ų50.145%0.44823%0.234SC..Hα-helixtrans-61-50.3174.5-177.6-179.8176.5-176.20110.8P154 A155 V156 I160 K161 E162P154-K158 PolarHBondContact O-N 3.18Å; P154-K158 VanDerWaalsContact O-N 3.08Å; A155-K158 PolarHBondContact O-N 3.02Å; V156-K158 VanDerWaalsContact C-N 3.31Å; V156-K158 PolarHBondContact O-N 3.48Å; K158-I160 PolarHBondContact O-N 3.22Å; K158-K161 PolarHBondContact O-N 3.25Å; K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 HydrophobicContact CG-CG 4.46Å; K158-E162 VanDerWaalsContact CG-OE1 3.32Å; K158-E162 WeakPolarHBondContact CG-OE1 3.43Å; K158-E162 WeakPolarHBondContact O-CB 3.5Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.37Å
159W98.1Very high96.7Very high24 Ų2454.4 Ų54.49%0.09126%0.257CS..Hα-helixtrans-59.2-45.2-179.9-174.294.4000112A155 V156 K161 E162 N163 I164 Y250 I252 V275 Q293 I295A155-W159 WeakPolarHBondContact O-CB 3.29Å; A155-W159 PolarHBondContact O-N 3.41Å; V156-W159 PolarHBondContact O-N 2.89Å; W159-K161 PolarHBondContact O-N 2.82Å; W159-E162 PolarHBondContact O-N 3.47Å; W159-N163 HydrophobicContact CD2-CB 4.19Å; W159-N163 HydrophobicContact CE3-CB 4.45Å; W159-N163 HydrophobicContact CH2-CB 4.01Å; W159-N163 HydrophobicContact CZ2-CB 3.74Å; W159-N163 HydrophobicContact CZ3-CB 4.37Å; W159-N163 PolarHBondContact NE1-ND2 3.43Å; W159-N163 WeakPolarHBondContact O-CB 3.28Å; W159-N163 PolarHBondContact O-N 2.99Å; W159-N163 PolarHBondContact O-ND2 3.26Å; W159-I164 HydrophobicContact CH2-CD1 4.5Å; W159-I164 HydrophobicContact CH2-CG1 4.37Å; W159-I164 HydrophobicContact CZ3-CD1 3.85Å; W159-I164 HydrophobicContact CZ3-CG1 4.01Å; W159-Y250 HydrophobicContact CH2-CD1 4.04Å; W159-Y250 HydrophobicContact CH2-CE1 4.2Å; W159-I252 HydrophobicContact CE3-CD1 3.91Å; W159-I252 HydrophobicContact CZ3-CD1 4.04Å; W159-V275 HydrophobicContact CD2-CG1 4.08Å; W159-V275 HydrophobicContact CD2-CG2 4.01Å; W159-V275 HydrophobicContact CE3-CG2 3.98Å; W159-V275 HydrophobicContact CG-CG1 4.35Å; W159-V275 HydrophobicContact CH2-CG2 3.34Å; W159-V275 HydrophobicContact CZ2-CG2 3.32Å; W159-V275 HydrophobicContact CZ3-CG2 3.66Å; W159-Q293 VanDerWaalsContact CZ2-OE1 3.26Å; W159-I295 HydrophobicContact CB-CD1 3.83Å; W159-I295 HydrophobicContact CB-CG1 4.39Å; W159-I295 HydrophobicContact CG-CD1 4.02Å; W159-I295 HydrophobicContact CG-CG1 4.26Å
160I98.2Very high96.7Very high0 Ų054.2 Ų54.20%026%0.256CS..Hα-helixtrans-57.7-48.9177.6-70.3168000110.8V156 K158 E162 N163 I164 W167 I186 L190 I222 I252V156-I160 HydrophobicContact CG1-CD1 3.8Å; V156-I160 HydrophobicContact CG1-CG1 4.38Å; V156-I160 WeakPolarHBondContact O-CG1 3.45Å; V156-I160 PolarHBondContact O-N 3.07Å; K158-I160 PolarHBondContact O-N 3.22Å; I160-E162 VanDerWaalsContact C-N 3.29Å; I160-E162 PolarHBondContact O-N 2.9Å; I160-N163 PolarHBondContact O-N 2.55Å; I160-I164 HydrophobicContact CG2-CD1 4.44Å; I160-I164 WeakPolarHBondContact O-CB 3.43Å; I160-I164 PolarHBondContact O-N 2.86Å; I160-W167 HydrophobicContact CG2-CB 3.7Å; I160-I186 HydrophobicContact CD1-CG2 4.41Å; I160-L190 HydrophobicContact CD1-CD1 4.02Å; I160-L190 HydrophobicContact CG2-CD1 4.04Å; I160-I222 HydrophobicContact CD1-CD1 4.25Å; I160-I222 HydrophobicContact CG1-CD1 4.26Å; I160-I222 HydrophobicContact CG2-CD1 3.98Å; I160-I252 HydrophobicContact CD1-CD1 3.78Å; I160-I252 HydrophobicContact CG1-CD1 3.53Å
161K97.3Very high96.8Very high99 Ų9954.2 Ų54.243%0.4326%0.256SS..Hα-helixtrans-65.1-31.8-177.6-72.6176.1-178.9179.10113.2L157 K158 W159 W167 L190L157-K161 WeakPolarHBondContact O-CG 3.19Å; L157-K161 PolarHBondContact O-N 3.21Å; K158-K161 PolarHBondContact O-N 3.25Å; W159-K161 PolarHBondContact O-N 2.82Å; K161-W167 HydrophobicContact CG-CD2 4.09Å; K161-W167 HydrophobicContact CG-CE3 4.33Å; K161-W167 HydrophobicContact CG-CH2 4.38Å; K161-W167 HydrophobicContact CG-CZ2 4.12Å; K161-W167 HydrophobicContact CG-CZ3 4.48Å; K161-L190 HydrophobicContact CD-CD2 4.45Å; K161-L190 VanDerWaalsContact CE-CD2 3.49Å; K161-L190 HydrophobicContact CG-CD2 4.17Å
162E97.4Very high96.9Very high130 Ų13050.7 Ų50.761%0.60724%0.242SC*.Hα-helixtrans-86.6-27.8-177.3-70.8174.1176.700113K158 W159 I160K158-E162 WeakPolarHBondContact CE-OE1 3.34Å; K158-E162 HydrophobicContact CG-CG 4.46Å; K158-E162 VanDerWaalsContact CG-OE1 3.32Å; K158-E162 WeakPolarHBondContact CG-OE1 3.43Å; K158-E162 WeakPolarHBondContact O-CB 3.5Å; K158-E162 WeakPolarHBondContact O-CG 3.29Å; K158-E162 PolarHBondContact O-N 3.37Å; W159-E162 PolarHBondContact O-N 3.47Å; I160-E162 VanDerWaalsContact C-N 3.29Å; I160-E162 PolarHBondContact O-N 2.9Å
163N98Very high97Very high72 Ų7250.7 Ų50.739%0.38524%0.242SC..Hα-helixtrans-115.6-19.9-168.5-63.8-87.1000114.8W159 I160W159-N163 HydrophobicContact CD2-CB 4.19Å; W159-N163 HydrophobicContact CE3-CB 4.45Å; W159-N163 HydrophobicContact CH2-CB 4.01Å; W159-N163 HydrophobicContact CZ2-CB 3.74Å; W159-N163 HydrophobicContact CZ3-CB 4.37Å; W159-N163 PolarHBondContact NE1-ND2 3.43Å; W159-N163 WeakPolarHBondContact O-CB 3.28Å; W159-N163 PolarHBondContact O-N 2.99Å; W159-N163 PolarHBondContact O-ND2 3.26Å; I160-N163 PolarHBondContact O-N 2.55Å
164I97.6Very high97.1Very high1 Ų149.5 Ų49.51%0.00524%0.237CC..  trans-109.3106.9179.2-59.3179.1000108.7W159 I160 E166 W167 V220 I222 Y250W159-I164 HydrophobicContact CH2-CD1 4.5Å; W159-I164 HydrophobicContact CH2-CG1 4.37Å; W159-I164 HydrophobicContact CZ3-CD1 3.85Å; W159-I164 HydrophobicContact CZ3-CG1 4.01Å; I160-I164 HydrophobicContact CG2-CD1 4.44Å; I160-I164 WeakPolarHBondContact O-CB 3.43Å; I160-I164 PolarHBondContact O-N 2.86Å; I164-E166 VanDerWaalsContact C-N 3.27Å; I164-E166 PolarHBondContact O-N 3.07Å; I164-W167 HydrophobicContact CB-CB 4.27Å; I164-W167 HydrophobicContact CG2-CB 4.31Å; I164-W167 WeakPolarHBondContact O-CB 3.5Å; I164-W167 PolarHBondContact O-N 3.44Å; I164-W167 VanDerWaalsContact O-N 3.16Å; I164-V220 HydrophobicContact CG2-CG1 4.09Å; I164-I222 HydrophobicContact CD1-CD1 3.47Å; I164-I222 VanDerWaalsContact CD1-CD1 3.47Å; I164-I222 HydrophobicContact CD1-CG1 3.96Å; I164-Y250 HydrophobicContact CD1-CD1 4.14Å; I164-Y250 HydrophobicContact CD1-CD2 3.73Å; I164-Y250 HydrophobicContact CD1-CE1 4.29Å; I164-Y250 HydrophobicContact CD1-CE2 3.89Å; I164-Y250 HydrophobicContact CD1-CG 3.85Å; I164-Y250 HydrophobicContact CG1-CD1 4.47Å; I164-Y250 HydrophobicContact CG1-CD2 4.35Å; I164-Y250 HydrophobicContact CG1-CE1 4.14Å; I164-Y250 HydrophobicContact CG1-CE2 4Å; I164-Y250 HydrophobicContact CG2-CE2 4.33Å
165L95.8Very high97.1Very high164 Ų16449.1 Ų49.186%0.85923%0.234SC*.THydrogen-bonded Turntrans-57.7-40.5-178.1-75.1112.5000112.6W167L165-W167 VanDerWaalsContact C-N 3.25Å; L165-W167 PolarHBondContact O-N 3.28Å
166E95.1Very high96.8Very high83 Ų8351.7 Ų51.739%0.38825%0.247SC..THydrogen-bonded Turntrans-87.316.4-176.3-51.986.2166.100113.1I164 K168 N169 C170 V220I164-E166 VanDerWaalsContact C-N 3.27Å; I164-E166 PolarHBondContact O-N 3.07Å; E166-K168 PolarHBondContact O-N 2.94Å; E166-N169 CarbonylContact O-C 3.41Å; E166-N169 PolarHBondContact O-N 2.85Å; E166-C170 PolarHBondContact O-N 2.96Å; E166-C170 VanDerWaalsContact O-N 3.16Å; E166-V220 HydrophobicContact CB-CG2 3.91Å; E166-V220 HydrophobicContact CG-CG2 4.37Å
167W96.9Very high96.4Very high54 Ų5454 Ų5421%0.20527%0.266CS..G310 helixtrans-55.1-30.7-173.772.2-97.3000113.6I160 K161 I164 L165 N169 C170 L190 V192I160-W167 HydrophobicContact CG2-CB 3.7Å; K161-W167 HydrophobicContact CG-CD2 4.09Å; K161-W167 HydrophobicContact CG-CE3 4.33Å; K161-W167 HydrophobicContact CG-CH2 4.38Å; K161-W167 HydrophobicContact CG-CZ2 4.12Å; K161-W167 HydrophobicContact CG-CZ3 4.48Å; I164-W167 HydrophobicContact CB-CB 4.27Å; I164-W167 HydrophobicContact CG2-CB 4.31Å; I164-W167 WeakPolarHBondContact O-CB 3.5Å; I164-W167 PolarHBondContact O-N 3.44Å; I164-W167 VanDerWaalsContact O-N 3.16Å; L165-W167 VanDerWaalsContact C-N 3.25Å; L165-W167 PolarHBondContact O-N 3.28Å; W167-N169 PolarHBondContact O-N 3.49Å; W167-C170 PolarHBondContact O-N 3.29Å; W167-C170 PolarHBondContact O-SG 3.28Å; W167-L190 HydrophobicContact CE3-CD2 4.04Å; W167-L190 HydrophobicContact CZ3-CD2 4.08Å; W167-V192 WeakPolarHBondContact O-CG1 3.32Å
168K96.9Very high96Very high145 Ų14556.6 Ų56.663%0.6330%0.296SS*.G310 helixtrans-66.8-22.7178.3-66.7-176.4179178.60114E166E166-K168 PolarHBondContact O-N 2.94Å
169N95.2Very high95.7Very high124 Ų12451.8 Ų51.866%0.66328%0.276SS*.G310 helixtrans-117.215.1179.4-65.6-13.5000111.4E166 W167 R219E166-N169 CarbonylContact O-C 3.41Å; E166-N169 PolarHBondContact O-N 2.85Å; W167-N169 PolarHBondContact O-N 3.49Å; N169-R219 WeakPolarHBondContact O-CD 3.35Å; N169-R219 WeakPolarHBondContact O-CG 3.38Å
170C97.7Very high95.5Very high1 Ų152 Ų521%0.00728%0.283CS..  trans-75.6172.9176.980.70000111.3E166 W167 V220 I222E166-C170 PolarHBondContact O-N 2.96Å; E166-C170 VanDerWaalsContact O-N 3.16Å; W167-C170 PolarHBondContact O-N 3.29Å; W167-C170 PolarHBondContact O-SG 3.28Å; C170-V220 CarbonylContact C-O 3.53Å; C170-V220 VanDerWaalsContact CA-O 3.23Å; C170-V220 WeakPolarHBondContact CA-O 3.37Å; C170-V220 HydrophobicContact CB-CB 4.18Å; C170-V220 HydrophobicContact CB-CG1 4.48Å; C170-V220 WeakPolarHBondContact CB-O 3.42Å; C170-I222 HydrophobicContact CB-CD1 4.04Å; C170-I222 HydrophobicContact CB-CG1 4.41Å
171I98.4Very high95.3Very high1 Ų160.6 Ų60.61%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-129.4129.4170.3-174.2161.6000109.7V173 D193 A195 D215 V216 R219 V220 A221 I222I171-V173 HydrophobicContact CG2-CG2 4.24Å; I171-D193 WeakPolarHBondContact CA-O 3.4Å; I171-D193 HydrophobicContact CD1-CB 4.19Å; I171-D193 HydrophobicContact CG1-CB 4.27Å; I171-A195 HydrophobicContact CD1-CB 3.62Å; I171-A195 HydrophobicContact CG1-CB 4.04Å; I171-D215 WeakPolarHBondContact CD1-O 3.28Å; I171-V216 HydrophobicContact CD1-CG1 4.06Å; I171-V216 HydrophobicContact CG2-CB 4.21Å; I171-V216 HydrophobicContact CG2-CG1 3.94Å; I171-R219 HydrophobicContact CG2-CB 4.32Å; I171-V220 PolarHBondContact N-O 2.82Å; I171-A221 HydrophobicContact CG2-CB 4.03Å; I171-A221 WeakPolarHBondContact O-CA 3.38Å; I171-I222 PolarHBondContact O-N 3.4Å
172I98.6Very high95.3Very high0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-86.8124.5178-48.7-56.2000108.8V183 I186 A187 L190 V192 D193 F194 A195 I222 V224I172-V183 HydrophobicContact CB-CB 4.47Å; I172-V183 HydrophobicContact CG2-CB 3.72Å; I172-V183 HydrophobicContact CG2-CG1 3.96Å; I172-I186 HydrophobicContact CD1-CG2 4.19Å; I172-I186 HydrophobicContact CG1-CG2 4.1Å; I172-I186 HydrophobicContact CG2-CB 4.44Å; I172-I186 HydrophobicContact CG2-CG2 4.29Å; I172-A187 HydrophobicContact CB-CB 4.25Å; I172-A187 HydrophobicContact CG1-CB 4.04Å; I172-L190 HydrophobicContact CD1-CD1 3.97Å; I172-L190 HydrophobicContact CG1-CD1 4.5Å; I172-V192 HydrophobicContact CD1-CG2 4.31Å; I172-V192 HydrophobicContact CG1-CG2 3.84Å; I172-D193 PolarHBondContact N-O 3.09Å; I172-F194 CarbonylContact O-C 3.57Å; I172-F194 WeakPolarHBondContact O-CA 3.48Å; I172-F194 WeakPolarHBondContact O-CB 3.33Å; I172-A195 PolarHBondContact O-N 3.28Å; I172-I222 HydrophobicContact CD1-CB 4.04Å; I172-I222 HydrophobicContact CD1-CD1 3.94Å; I172-I222 HydrophobicContact CD1-CG1 4.42Å; I172-V224 HydrophobicContact CG2-CB 4.36Å; I172-V224 HydrophobicContact CG2-CG2 3.74Å
173V98.4Very high95.2Very high0 Ų052.6 Ų52.60%028%0.282CS..EExtended strand (participates in β ladder)trans-116.3129.9-171.4-173.60000110.7I171 A195 I197 A221 I222 L223 V224 L241I171-V173 HydrophobicContact CG2-CG2 4.24Å; V173-A195 WeakPolarHBondContact CA-O 3.38Å; V173-A195 HydrophobicContact CG1-CB 4.32Å; V173-A195 HydrophobicContact CG2-CB 4Å; V173-I197 HydrophobicContact CG1-CD1 3.95Å; V173-I197 HydrophobicContact CG1-CG1 4.11Å; V173-A221 HydrophobicContact CG2-CB 4.06Å; V173-I222 PolarHBondContact N-O 2.79Å; V173-L223 HydrophobicContact CB-CD2 3.88Å; V173-L223 HydrophobicContact CB-CG 4.39Å; V173-L223 HydrophobicContact CG1-CD2 3.69Å; V173-L223 WeakPolarHBondContact O-CA 3.36Å; V173-V224 PolarHBondContact O-N 3.27Å; V173-L241 HydrophobicContact CB-CD1 4.36Å; V173-L241 HydrophobicContact CG1-CD1 4.24Å; V173-L241 HydrophobicContact CG1-CD2 4.07Å; V173-L241 HydrophobicContact CG2-CD1 4.23Å; V173-L241 HydrophobicContact CG2-CD2 3.93Å
174S97.6Very high95.1Very high0 Ų050.9 Ų50.90%028%0.275CS..EExtended strand (participates in β ladder)trans-88.3130.6168.8-160.70000110.7D176 G179 A195 I197S174-D176 WeakPolarHBondContact CB-O 3.44Å; S174-D176 PolarHBondContact O-N 3.12Å; S174-D176 PolarHBondContact OG-O 3.27Å; S174-G179 WeakPolarHBondContact OG-CA 3.33Å; S174-G179 PolarHBondContact OG-O 3.38Å; S174-A195 PolarHBondContact N-O 2.98Å; S174-I197 PolarHBondContact O-N 3.5Å
175P94.5Very high95.1Very high1 Ų152.7 Ų52.71%0.00629%0.287CS..SBendtrans-72.9-15.5178.529.8-34.9000113.4L223 V224 D225 T233P175-L223 HydrophobicContact CB-CD2 4.23Å; P175-V224 VanDerWaalsContact CD-O 3.28Å; P175-V224 WeakPolarHBondContact CD-O 3.38Å; P175-D225 HydrophobicContact CG-CB 3.89Å; P175-D225 WeakPolarHBondContact CG-OD2 3.33Å; P175-T233 HydrophobicContact CB-CG2 4.38Å
176D91Very high95.1Very high63 Ų6345.2 Ų45.234%0.33725%0.248SC..SBendtrans-146.7178.9175.368.741.6000112.4S174 G178 G179 I197S174-D176 WeakPolarHBondContact CB-O 3.44Å; S174-D176 PolarHBondContact O-N 3.12Å; S174-D176 PolarHBondContact OG-O 3.27Å; D176-G178 WeakPolarHBondContact OD1-CA 3.35Å; D176-G178 PolarHBondContact OD1-N 2.94Å; D176-G179 PolarHBondContact OD1-N 3.38Å; D176-I197 CarbonylContact C-O 3.38Å; D176-I197 WeakPolarHBondContact CA-O 3.43Å
177A88.3Confident95.2Very high53 Ų5341.2 Ų41.244%0.43823%0.229SC..SBendtrans-75-22.6179.800000114.1L196A177-L196 HydrophobicContact CB-CD2 4.43Å
178G87.6Confident95.2Very high70 Ų7044.3 Ų44.372%0.72225%0.25SC*.THydrogen-bonded Turntrans-72.2-33.3-17900000112.3D176 A180D176-G178 WeakPolarHBondContact OD1-CA 3.35Å; D176-G178 PolarHBondContact OD1-N 2.94Å; G178-A180 VanDerWaalsContact C-N 3.26Å; G178-A180 PolarHBondContact O-N 3.43Å
179G91.9Very high95.2Very high2 Ų242.5 Ų42.52%0.02124%0.239CC..THydrogen-bonded Turntrans-782.7178.700000115.6S174 D176 K181 R182 V183S174-G179 WeakPolarHBondContact OG-CA 3.33Å; S174-G179 PolarHBondContact OG-O 3.38Å; D176-G179 PolarHBondContact OD1-N 3.38Å; G179-K181 PolarHBondContact O-N 2.77Å; G179-R182 WeakPolarHBondContact O-CB 3.26Å; G179-R182 PolarHBondContact O-N 2.76Å; G179-R182 VanDerWaalsContact O-N 3.07Å; G179-V183 PolarHBondContact O-N 2.69Å; G179-V183 VanDerWaalsContact O-N 3.15Å
180A94.1Very high95.3Very high29 Ų2937 Ų3724%0.2421%0.21CC..Hα-helixtrans-53.1-49.3-175.500000113.1G178 R182 V183 T184 L196G178-A180 VanDerWaalsContact C-N 3.26Å; G178-A180 PolarHBondContact O-N 3.43Å; A180-R182 VanDerWaalsContact C-N 3.26Å; A180-R182 PolarHBondContact O-N 2.66Å; A180-V183 WeakPolarHBondContact O-CG2 3.37Å; A180-V183 PolarHBondContact O-N 2.56Å; A180-T184 WeakPolarHBondContact O-CG2 3.33Å; A180-T184 PolarHBondContact O-N 3.37Å; A180-T184 PolarHBondContact O-OG1 2.93Å; A180-L196 HydrophobicContact CB-CD1 3.64Å
181K94.2Very high95.2Very high180 Ų18044 Ų4478%0.78325%0.247SC*.Hα-helixtrans-62.3-33.4-179.6-69.5-175177.7-177.70113.1G179 T184 S185G179-K181 PolarHBondContact O-N 2.77Å; K181-T184 WeakPolarHBondContact CA-OG1 3.48Å; K181-T184 PolarHBondContact O-OG1 3.44Å; K181-T184 VanDerWaalsContact O-OG1 3.04Å; K181-S185 PolarHBondContact O-N 3.21Å
182R95.3Very high95.2Very high61 Ų6144.9 Ų44.923%0.2325%0.252CS..Hα-helixtrans-68.5-47.9179.9-173.5-175.5-57.7129.30.8110.2G179 A180 S185 I186 D225 D226G179-R182 WeakPolarHBondContact O-CB 3.26Å; G179-R182 PolarHBondContact O-N 2.76Å; G179-R182 VanDerWaalsContact O-N 3.07Å; A180-R182 VanDerWaalsContact C-N 3.26Å; A180-R182 PolarHBondContact O-N 2.66Å; R182-S185 PolarHBondContact O-N 3.15Å; R182-I186 HydrophobicContact CG-CD1 4.49Å; R182-I186 WeakPolarHBondContact O-CG1 3.48Å; R182-I186 PolarHBondContact O-N 3.4Å; R182-D225 IonicContact NH1-OD1 3.69Å; R182-D225 PolarHBondContact NH1-OD1 2.85Å; R182-D226 VanDerWaalsContact CZ-CB 3.47Å; R182-D226 VanDerWaalsContact CZ-N 3.34Å; R182-D226 IonicContact CZ-OD1 2.97Å; R182-D226 IonicContact NH1-OD1 2.76Å; R182-D226 PolarHBondContact NH1-OD1 2.7Å; R182-D226 IonicContact NH2-OD1 2.74Å; R182-D226 PolarHBondContact NH2-OD1 3.34Å
183V96.7Very high95.2Very high0 Ų049.2 Ų49.20%028%0.275CS..Hα-helixtrans-70.6-36.3-178.6-58.50000112.7I172 G179 A180 I186 A187 F194 V224I172-V183 HydrophobicContact CB-CB 4.47Å; I172-V183 HydrophobicContact CG2-CB 3.72Å; I172-V183 HydrophobicContact CG2-CG1 3.96Å; G179-V183 PolarHBondContact O-N 2.69Å; G179-V183 VanDerWaalsContact O-N 3.15Å; A180-V183 WeakPolarHBondContact O-CG2 3.37Å; A180-V183 PolarHBondContact O-N 2.56Å; V183-I186 PolarHBondContact O-N 3.29Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.03Å; V183-F194 HydrophobicContact CG2-CB 4.46Å; V183-F194 HydrophobicContact CG2-CD2 4.3Å; V183-V224 HydrophobicContact CG1-CB 4.18Å
184T96.3Very high95.2Very high37 Ų3753.8 Ų53.823%0.22730%0.296CS..Hα-helixtrans-64.6-41.4175.854.60000111.3A180 K181 I186 A187 D188 F194A180-T184 WeakPolarHBondContact O-CG2 3.33Å; A180-T184 PolarHBondContact O-N 3.37Å; A180-T184 PolarHBondContact O-OG1 2.93Å; K181-T184 WeakPolarHBondContact CA-OG1 3.48Å; K181-T184 PolarHBondContact O-OG1 3.44Å; K181-T184 VanDerWaalsContact O-OG1 3.04Å; T184-I186 VanDerWaalsContact C-N 3.34Å; T184-I186 PolarHBondContact O-N 3.27Å; T184-A187 PolarHBondContact O-N 3.27Å; T184-D188 WeakPolarHBondContact O-CB 3.5Å; T184-D188 PolarHBondContact O-N 3.3Å; T184-F194 HydrophobicContact CG2-CD1 3.91Å; T184-F194 HydrophobicContact CG2-CD2 3.86Å; T184-F194 HydrophobicContact CG2-CE1 3.78Å; T184-F194 HydrophobicContact CG2-CE2 3.73Å; T184-F194 HydrophobicContact CG2-CG 3.95Å; T184-F194 HydrophobicContact CG2-CZ 3.69Å
185S95.9Very high95.2Very high39 Ų3953.8 Ų53.827%0.27330%0.296SS..Hα-helixtrans-58.1-46176.1-175.10000112.2E153 K181 R182 R189E153-S185 PolarHBondContact OE1-OG 3.04Å; K181-S185 PolarHBondContact O-N 3.21Å; R182-S185 PolarHBondContact O-N 3.15Å; S185-R189 WeakPolarHBondContact O-CG 3.38Å; S185-R189 PolarHBondContact O-N 3.06Å; S185-R189 VanDerWaalsContact O-N 3.14Å
186I97.3Very high95.3Very high6 Ų655.2 Ų55.23%0.03130%0.303CS..Hα-helixtrans-67.1-44.7179-66.1169.8000110.7E153 L157 I160 I172 R182 V183 T184 R189 L190 V224E153-I186 HydrophobicContact CG-CG1 4.05Å; L157-I186 HydrophobicContact CD2-CG2 3.93Å; I160-I186 HydrophobicContact CD1-CG2 4.41Å; I172-I186 HydrophobicContact CD1-CG2 4.19Å; I172-I186 HydrophobicContact CG1-CG2 4.1Å; I172-I186 HydrophobicContact CG2-CB 4.44Å; I172-I186 HydrophobicContact CG2-CG2 4.29Å; R182-I186 HydrophobicContact CG-CD1 4.49Å; R182-I186 WeakPolarHBondContact O-CG1 3.48Å; R182-I186 PolarHBondContact O-N 3.4Å; V183-I186 PolarHBondContact O-N 3.29Å; T184-I186 VanDerWaalsContact C-N 3.34Å; T184-I186 PolarHBondContact O-N 3.27Å; I186-R189 PolarHBondContact O-N 3.1Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 HydrophobicContact CG2-CG 4.5Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 2.88Å; I186-V224 HydrophobicContact CD1-CB 4.39Å; I186-V224 HydrophobicContact CD1-CG1 3.69Å; I186-V224 HydrophobicContact CD1-CG2 4.31Å
187A97.5Very high95.4Very high0 Ų052.2 Ų52.20%029%0.287CS..Hα-helixtrans-61.1-45.6179.600000111.7I172 V183 T184 R189 L190 N191 V192 F194I172-A187 HydrophobicContact CB-CB 4.25Å; I172-A187 HydrophobicContact CG1-CB 4.04Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.22Å; V183-A187 PolarHBondContact O-N 3.03Å; T184-A187 PolarHBondContact O-N 3.27Å; A187-R189 PolarHBondContact O-N 3.37Å; A187-L190 CarbonylContact O-C 3.45Å; A187-L190 PolarHBondContact O-N 3.15Å; A187-N191 WeakPolarHBondContact O-CA 3.47Å; A187-N191 PolarHBondContact O-N 2.72Å; A187-V192 HydrophobicContact CB-CG2 4.31Å; A187-V192 WeakPolarHBondContact CB-O 3.36Å; A187-V192 PolarHBondContact O-N 3.07Å; A187-F194 HydrophobicContact CB-CB 3.89Å
188D96.8Very high95.5Very high118 Ų11853.7 Ų53.763%0.63128%0.284SS*.Hα-helixtrans-60.9-42.7177.1-68.3-19000111.4T184 L190 N191T184-D188 WeakPolarHBondContact O-CB 3.5Å; T184-D188 PolarHBondContact O-N 3.3Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.31Å; D188-N191 PolarHBondContact O-N 3.11Å
189R96.1Very high95.2Very high108 Ų10853.5 Ų53.541%0.40826%0.264SS..Hα-helixtrans-70.4-27.6178.1-72.9-178.3-175.5-168.210.4113.8E153 L157 S185 I186 A187E153-R189 VanDerWaalsContact CD-CZ 3.43Å; E153-R189 VanDerWaalsContact OE1-CD 3.28Å; E153-R189 WeakPolarHBondContact OE1-CD 3.47Å; E153-R189 IonicContact OE1-CZ 2.78Å; E153-R189 IonicContact OE1-NE 3.75Å; E153-R189 PolarHBondContact OE1-NE 3.12Å; E153-R189 IonicContact OE1-NH1 3.76Å; E153-R189 IonicContact OE1-NH2 2.64Å; E153-R189 IonicContact OE2-CZ 3.36Å; E153-R189 IonicContact OE2-NE 2.77Å; E153-R189 IonicContact OE2-NH1 2.81Å; E153-R189 PolarHBondContact OE2-NH1 3.15Å; E153-R189 IonicContact OE2-NH2 3.69Å; E153-R189 PolarHBondContact OE2-NH2 3.35Å; L157-R189 HydrophobicContact CD1-CB 4.02Å; L157-R189 HydrophobicContact CD1-CG 4.47Å; L157-R189 HydrophobicContact CD2-CB 4.16Å; S185-R189 WeakPolarHBondContact O-CG 3.38Å; S185-R189 PolarHBondContact O-N 3.06Å; S185-R189 VanDerWaalsContact O-N 3.14Å; I186-R189 PolarHBondContact O-N 3.1Å; A187-R189 PolarHBondContact O-N 3.37Å
190L96.5Very high94.5Very high9 Ų957.2 Ų57.25%0.04728%0.281CS..Hα-helixtrans-86.9-12.4172.6-69.3177.7000112.5L157 I160 K161 W167 I172 I186 A187 D188 V192L157-L190 HydrophobicContact CD2-CD1 4.01Å; L157-L190 HydrophobicContact CD2-CD2 3.54Å; L157-L190 HydrophobicContact CD2-CG 3.45Å; L157-L190 VanDerWaalsContact CD2-CG 3.45Å; I160-L190 HydrophobicContact CD1-CD1 4.02Å; I160-L190 HydrophobicContact CG2-CD1 4.04Å; K161-L190 HydrophobicContact CD-CD2 4.45Å; K161-L190 VanDerWaalsContact CE-CD2 3.49Å; K161-L190 HydrophobicContact CG-CD2 4.17Å; W167-L190 HydrophobicContact CE3-CD2 4.04Å; W167-L190 HydrophobicContact CZ3-CD2 4.08Å; I172-L190 HydrophobicContact CD1-CD1 3.97Å; I172-L190 HydrophobicContact CG1-CD1 4.5Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 HydrophobicContact CG2-CG 4.5Å; I186-L190 WeakPolarHBondContact O-CB 3.36Å; I186-L190 WeakPolarHBondContact O-CG 3.44Å; I186-L190 PolarHBondContact O-N 2.88Å; A187-L190 CarbonylContact O-C 3.45Å; A187-L190 PolarHBondContact O-N 3.15Å; D188-L190 VanDerWaalsContact C-N 3.34Å; D188-L190 PolarHBondContact O-N 3.31Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 HydrophobicContact CB-CG1 4.18Å; L190-V192 HydrophobicContact CB-CG2 3.91Å; L190-V192 HydrophobicContact CD1-CG2 4.49Å
191N97.4Very high93.3Very high148 Ų14866.1 Ų66.179%0.79131%0.308SS*.THydrogen-bonded Turntrans53.850-169.9-169.762.1000111.9A187 D188A187-N191 WeakPolarHBondContact O-CA 3.47Å; A187-N191 PolarHBondContact O-N 2.72Å; D188-N191 PolarHBondContact O-N 3.11Å
192V97.9Very high91.7Very high18 Ų1862.3 Ų62.311%0.10929%0.292CS..  trans-126.4170.2175.5-58.40000111.2W167 I172 A187 L190W167-V192 WeakPolarHBondContact O-CG1 3.32Å; I172-V192 HydrophobicContact CD1-CG2 4.31Å; I172-V192 HydrophobicContact CG1-CG2 3.84Å; A187-V192 HydrophobicContact CB-CG2 4.31Å; A187-V192 WeakPolarHBondContact CB-O 3.36Å; A187-V192 PolarHBondContact O-N 3.07Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 HydrophobicContact CB-CG1 4.18Å; L190-V192 HydrophobicContact CB-CG2 3.91Å; L190-V192 HydrophobicContact CD1-CG2 4.49Å
193D97.8Very high89.6Confident92 Ų9268.4 Ų68.449%0.49232%0.32SS..EExtended strand (participates in β ladder)trans-75.3163.9176.4-67.5-24.4000112.1I171 I172 R219I171-D193 WeakPolarHBondContact CA-O 3.4Å; I171-D193 HydrophobicContact CD1-CB 4.19Å; I171-D193 HydrophobicContact CG1-CB 4.27Å; I172-D193 PolarHBondContact N-O 3.09Å; D193-R219 IonicContact OD2-CZ 3.82Å; D193-R219 IonicContact OD2-NH1 3.4Å; D193-R219 PolarHBondContact OD2-NH1 2.82Å; D193-R219 IonicContact OD2-NH2 2.81Å; D193-R219 PolarHBondContact OD2-NH2 2.98Å
194F97.9Very high86.9Confident96 Ų9673 Ų7342%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-126.6156.6170.275.3-83.4000112.1I172 V183 T184 A187I172-F194 CarbonylContact O-C 3.57Å; I172-F194 WeakPolarHBondContact O-CA 3.48Å; I172-F194 WeakPolarHBondContact O-CB 3.33Å; V183-F194 HydrophobicContact CG2-CB 4.46Å; V183-F194 HydrophobicContact CG2-CD2 4.3Å; T184-F194 HydrophobicContact CG2-CD1 3.91Å; T184-F194 HydrophobicContact CG2-CD2 3.86Å; T184-F194 HydrophobicContact CG2-CE1 3.78Å; T184-F194 HydrophobicContact CG2-CE2 3.73Å; T184-F194 HydrophobicContact CG2-CG 3.95Å; T184-F194 HydrophobicContact CG2-CZ 3.69Å; A187-F194 HydrophobicContact CB-CB 3.89Å
195A97.6Very high84.7Confident0 Ų079.3 Ų79.30%039%0.39CS..EExtended strand (participates in β ladder)trans-131.4162.6172.600000110.5I171 I172 V173 S174 L212 V213 V216I171-A195 HydrophobicContact CD1-CB 3.62Å; I171-A195 HydrophobicContact CG1-CB 4.04Å; I172-A195 PolarHBondContact O-N 3.28Å; V173-A195 WeakPolarHBondContact CA-O 3.38Å; V173-A195 HydrophobicContact CG1-CB 4.32Å; V173-A195 HydrophobicContact CG2-CB 4Å; S174-A195 PolarHBondContact N-O 2.98Å; A195-L212 HydrophobicContact CB-CD1 4.01Å; A195-V213 CarbonylContact C-O 3.56Å; A195-V213 VanDerWaalsContact CA-O 3.25Å; A195-V213 WeakPolarHBondContact CA-O 3.23Å; A195-V213 WeakPolarHBondContact CB-O 3.33Å; A195-V216 HydrophobicContact CB-CG1 3.98Å
196L96.8Very high82.5Confident30 Ų3083 Ų8316%0.15740%0.403CS..EExtended strand (participates in β ladder)trans-136.9134-178.9-170.3149.6000110.3A177 A180 H198 V213A177-L196 HydrophobicContact CB-CD2 4.43Å; A180-L196 HydrophobicContact CB-CD1 3.64Å; L196-H198 HydrophobicContact CD2-CB 4.17Å; L196-V213 PolarHBondContact N-O 3.16Å; L196-V213 PolarHBondContact O-N 3.47Å
197I94.6Very high80.5Confident0 Ų089.2 Ų89.20%044%0.441CS..EExtended strand (participates in β ladder)trans-100.6121.9171.6-65.9169.3000108.2V173 S174 D176 M210 V211 L212 L223 A237 L241V173-I197 HydrophobicContact CG1-CD1 3.95Å; V173-I197 HydrophobicContact CG1-CG1 4.11Å; S174-I197 PolarHBondContact O-N 3.5Å; D176-I197 CarbonylContact C-O 3.38Å; D176-I197 WeakPolarHBondContact CA-O 3.43Å; I197-M210 HydrophobicContact CG2-CB 3.99Å; I197-M210 HydrophobicContact CG2-CG 4.09Å; I197-M210 HydrophobicContact CG2-SD 4.03Å; I197-V211 CarbonylContact C-O 3.4Å; I197-V211 WeakPolarHBondContact CA-O 3.34Å; I197-L212 HydrophobicContact CD1-CD1 4.46Å; I197-L212 HydrophobicContact CG1-CD1 3.72Å; I197-L223 HydrophobicContact CD1-CD2 4.34Å; I197-A237 HydrophobicContact CD1-CB 3.5Å; I197-L241 HydrophobicContact CD1-CD2 4.47Å; I197-L241 HydrophobicContact CD1-CG 4.27Å
198H89.6Confident79.1Confident84 Ų8492.5 Ų92.539%0.38946%0.458SS..EExtended strand (participates in β ladder)trans-105121.5172.1-173.367.5000109.5L196 V211L196-H198 HydrophobicContact CD2-CB 4.17Å; H198-V211 PolarHBondContact N-O 3.33Å; H198-V211 PolarHBondContact O-N 2.87Å
199K81.3Confident78.2Confident66 Ų6694.5 Ų94.529%0.28746%0.457SS..EExtended strand (participates in β ladder)trans-89.9106.6174.2-171.9179.3178.8-175.20109.6R201 D208 M210K199-R201 PolarHBondContact O-N 2.92Å; K199-D208 WeakPolarHBondContact CE-OD2 3.29Å; K199-D208 HydrophobicContact CG-CB 4.44Å; K199-D208 IonicContact NZ-OD2 2.71Å; K199-D208 PolarHBondContact NZ-OD2 3.26Å; K199-M210 HydrophobicContact CD-CE 4.28Å; K199-M210 HydrophobicContact CG-CG 4.42Å
200E78Confident77.7Confident81 Ų8190.7 Ų90.738%0.37944%0.444SS..EExtended strand (participates in β ladder)trans-75.1109.8168.6-69.2-175.816500108.8K202 R209E200-K202 PolarHBondContact O-N 3.31Å; E200-R209 PolarHBondContact N-O 3.32Å; E200-R209 PolarHBondContact O-N 3.16Å
201R68.7Low77.4Confident215 Ų21592.7 Ų92.781%0.81146%0.457SS*.PPolyproline II helixtrans-79.9117.3172.8-64.9-174.1-175.3-176.52108.9K199 D208K199-R201 PolarHBondContact O-N 2.92Å; R201-D208 WeakPolarHBondContact CA-OD1 3.23Å
202K59.2Low77.3Confident101 Ų10187.4 Ų87.444%0.43943%0.428SS..PPolyproline II helixtrans-94.3166.5175.4-72.1-162.4175.7-179.60112E200 E206 D208E200-K202 PolarHBondContact O-N 3.31Å; K202-E206 HydrophobicContact CB-CB 3.92Å; K202-E206 HydrophobicContact CD-CB 3.93Å; K202-E206 HydrophobicContact CD-CG 4.49Å; K202-E206 WeakPolarHBondContact CD-OE2 3.35Å; K202-E206 WeakPolarHBondContact CE-OE2 3.36Å; K202-E206 IonicContact NZ-OE2 2.66Å; K202-E206 PolarHBondContact NZ-OE2 3.17Å; K202-D208 PolarHBondContact N-OD1 3.03Å
203K51.6Low77.1Confident189 Ų18990.9 Ų90.982%0.82245%0.449SS*.PPolyproline II helixtrans-62.2164.1176.7-72.7-179.7179.3176.60110.9N205 E206K203-N205 PolarHBondContact O-N 3.03Å; K203-E206 PolarHBondContact O-N 2.77Å
204A40.8Very low76.9Confident95 Ų9588.7 Ų88.779%0.78545%0.448SS*.THydrogen-bonded Turntrans-48.4129.4176.300000111.4
205N48.7Very low76.7Confident170 Ų17088.3 Ų88.391%0.90945%0.45SS*.THydrogen-bonded Turntrans90.96.4179.6-51.9-23.1000118.3K203K203-N205 PolarHBondContact O-N 3.03Å
206E51.3Low76.7Confident117 Ų11788.4 Ų88.455%0.54745%0.451SS..SBendtrans-115.2145.7167.9-72.8-172.6-140.400112.1K202 K203K202-E206 HydrophobicContact CB-CB 3.92Å; K202-E206 HydrophobicContact CD-CB 3.93Å; K202-E206 HydrophobicContact CD-CG 4.49Å; K202-E206 WeakPolarHBondContact CD-OE2 3.35Å; K202-E206 WeakPolarHBondContact CE-OE2 3.36Å; K202-E206 IonicContact NZ-OE2 2.66Å; K202-E206 PolarHBondContact NZ-OE2 3.17Å; K203-E206 PolarHBondContact O-N 2.77Å
207V55.5Low76.8Confident137 Ų13794.1 Ų94.183%0.8347%0.47SS*.PPolyproline II helixtrans-72.3129175.7-176.90000109.1R209V207-R209 PolarHBondContact O-N 3.33Å
208D66.4Low76.9Confident68 Ų68100.3 Ų100.336%0.36450%0.504SS..PPolyproline II helixtrans-56.4135.5177-71-34.9000111.3K199 R201 K202K199-D208 WeakPolarHBondContact CE-OD2 3.29Å; K199-D208 HydrophobicContact CG-CB 4.44Å; K199-D208 IonicContact NZ-OD2 2.71Å; K199-D208 PolarHBondContact NZ-OD2 3.26Å; R201-D208 WeakPolarHBondContact CA-OD1 3.23Å; K202-D208 PolarHBondContact N-OD1 3.03Å
209R79.1Confident77.3Confident161 Ų16198.8 Ų98.861%0.60849%0.494SS*.EExtended strand (participates in β ladder)trans-102.1131.5179.3-166.7179.2-176.3-174.61.7110.4E200 V207E200-R209 PolarHBondContact N-O 3.32Å; E200-R209 PolarHBondContact O-N 3.16Å; V207-R209 PolarHBondContact O-N 3.33Å
210M84.5Confident78.1Confident28 Ų2895.8 Ų95.814%0.13848%0.482CS..EExtended strand (participates in β ladder)trans-99.2121.6169.5-72.5-173.717500110.3I197 K199 T233 H236 K240I197-M210 HydrophobicContact CG2-CB 3.99Å; I197-M210 HydrophobicContact CG2-CG 4.09Å; I197-M210 HydrophobicContact CG2-SD 4.03Å; K199-M210 HydrophobicContact CD-CE 4.28Å; K199-M210 HydrophobicContact CG-CG 4.42Å; M210-T233 HydrophobicContact CE-CG2 4.35Å; M210-H236 HydrophobicContact CE-CB 3.5Å; M210-H236 HydrophobicContact SD-CB 3.76Å; M210-K240 HydrophobicContact CB-CG 4.47Å; M210-K240 WeakPolarHBondContact O-CE 3.49Å
211V91Very high79.1Confident51 Ų5192 Ų9231%0.30946%0.464SS..EExtended strand (participates in β ladder)trans-102.6125.8175.4-177.90000108I197 H198I197-V211 CarbonylContact C-O 3.4Å; I197-V211 WeakPolarHBondContact CA-O 3.34Å; H198-V211 PolarHBondContact N-O 3.33Å; H198-V211 PolarHBondContact O-N 2.87Å
212L94.9Very high80.5Confident36 Ų3681.7 Ų81.719%0.18843%0.425CS..EExtended strand (participates in β ladder)trans-95.9129.6174.1176.567.2000108.6A195 I197 V216 L241 A244A195-L212 HydrophobicContact CB-CD1 4.01Å; I197-L212 HydrophobicContact CD1-CD1 4.46Å; I197-L212 HydrophobicContact CG1-CD1 3.72Å; L212-V216 HydrophobicContact CD1-CG1 4.3Å; L212-V216 HydrophobicContact CD2-CB 4.44Å; L212-V216 HydrophobicContact CD2-CG1 3.92Å; L212-V216 HydrophobicContact CD2-CG2 3.65Å; L212-L241 HydrophobicContact CD1-CD2 4.09Å; L212-L241 HydrophobicContact CD2-CD2 4.31Å; L212-A244 HydrophobicContact CD2-CB 3.64Å
213V94.6Very high82.4Confident92 Ų9276.9 Ų76.956%0.55840%0.404SS*.EExtended strand (participates in β ladder)trans-113.9123.2172.3-177.40000107.8A195 L196A195-V213 CarbonylContact C-O 3.56Å; A195-V213 VanDerWaalsContact CA-O 3.25Å; A195-V213 WeakPolarHBondContact CA-O 3.23Å; A195-V213 WeakPolarHBondContact CB-O 3.33Å; L196-V213 PolarHBondContact N-O 3.16Å; L196-V213 PolarHBondContact O-N 3.47Å
214G93.5Very high84.6Confident45 Ų4568.2 Ų68.246%0.46437%0.367SS..SBendtrans110.8155.6-17100000111.9
215D94.1Very high87.3Confident88 Ų8864.7 Ų64.747%0.47134%0.335SS..  trans-93.9123.5-180-173.35000110I171 R217 R219I171-D215 WeakPolarHBondContact CD1-O 3.28Å; D215-R217 WeakPolarHBondContact OD1-CB 3.44Å; D215-R217 PolarHBondContact OD1-N 3.27Å; D215-R219 VanDerWaalsContact O-CZ 3.23Å; D215-R219 PolarHBondContact O-NE 2.66Å; D215-R219 PolarHBondContact O-NH2 3.43Å
216V97.2Very high89.6Confident2 Ų256.8 Ų56.81%0.01229%0.292CS..  trans-114.42.8179.6-57.40000112.1I171 A195 L212 R219 L241 A244 A246I171-V216 HydrophobicContact CD1-CG1 4.06Å; I171-V216 HydrophobicContact CG2-CB 4.21Å; I171-V216 HydrophobicContact CG2-CG1 3.94Å; A195-V216 HydrophobicContact CB-CG1 3.98Å; L212-V216 HydrophobicContact CD1-CG1 4.3Å; L212-V216 HydrophobicContact CD2-CB 4.44Å; L212-V216 HydrophobicContact CD2-CG1 3.92Å; L212-V216 HydrophobicContact CD2-CG2 3.65Å; V216-R219 PolarHBondContact O-N 3.1Å; V216-L241 HydrophobicContact CB-CD2 4.18Å; V216-L241 HydrophobicContact CG1-CD2 3.66Å; V216-L241 HydrophobicContact CG2-CD2 4.09Å; V216-A244 HydrophobicContact CG2-CB 3.49Å; V216-A244 VanDerWaalsContact CG2-CB 3.49Å; V216-A246 HydrophobicContact CG2-CB 4.38Å; V216-A246 WeakPolarHBondContact O-CA 3.33Å
217R97.6Very high91.8Very high151 Ų15152 Ų5257%0.5727%0.271SS*.THydrogen-bonded Turntrans-64.5135.7-172.7-173.6179.5-64.7130.22.9111.1D215 R219 G245D215-R217 WeakPolarHBondContact OD1-CB 3.44Å; D215-R217 PolarHBondContact OD1-N 3.27Å; R217-R219 WeakPolarHBondContact O-CG 3.33Å; R217-R219 PolarHBondContact O-N 3.36Å; R217-R219 VanDerWaalsContact O-N 3.13Å; R217-G245 CarbonylContact C-O 3.56Å; R217-G245 WeakPolarHBondContact CA-O 3.28Å
218D97.1Very high93.8Very high130 Ų13045.9 Ų45.970%0.69523%0.234SC*.THydrogen-bonded Turntrans58.122.9178-55.4-42000113.8G245D218-G245 PolarHBondContact N-O 2.85Å
219R97.7Very high95.2Very high51 Ų5144.4 Ų44.419%0.19223%0.226CC..SBendtrans-123.5152.6-179.3-67.3-165.1-81.9-168.4-11.3113N169 I171 D193 D215 V216 R217 A221 A246 T247N169-R219 WeakPolarHBondContact O-CD 3.35Å; N169-R219 WeakPolarHBondContact O-CG 3.38Å; I171-R219 HydrophobicContact CG2-CB 4.32Å; D193-R219 IonicContact OD2-CZ 3.82Å; D193-R219 IonicContact OD2-NH1 3.4Å; D193-R219 PolarHBondContact OD2-NH1 2.82Å; D193-R219 IonicContact OD2-NH2 2.81Å; D193-R219 PolarHBondContact OD2-NH2 2.98Å; D215-R219 VanDerWaalsContact O-CZ 3.23Å; D215-R219 PolarHBondContact O-NE 2.66Å; D215-R219 PolarHBondContact O-NH2 3.43Å; V216-R219 PolarHBondContact O-N 3.1Å; R217-R219 WeakPolarHBondContact O-CG 3.33Å; R217-R219 PolarHBondContact O-N 3.36Å; R217-R219 VanDerWaalsContact O-N 3.13Å; R219-A221 PolarHBondContact O-N 2.87Å; R219-A246 CarbonylContact O-C 3.58Å; R219-A246 WeakPolarHBondContact O-CA 3.41Å; R219-T247 PolarHBondContact O-N 3.46Å; R219-T247 PolarHBondContact O-OG1 2.89Å
220V98.4Very high96Very high4 Ų439.5 Ų39.52%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-72.8122167.2175.50000108.2I164 E166 C170 I171 I222 T247 K248 Y250I164-V220 HydrophobicContact CG2-CG1 4.09Å; E166-V220 HydrophobicContact CB-CG2 3.91Å; E166-V220 HydrophobicContact CG-CG2 4.37Å; C170-V220 CarbonylContact C-O 3.53Å; C170-V220 VanDerWaalsContact CA-O 3.23Å; C170-V220 WeakPolarHBondContact CA-O 3.37Å; C170-V220 HydrophobicContact CB-CB 4.18Å; C170-V220 HydrophobicContact CB-CG1 4.48Å; C170-V220 WeakPolarHBondContact CB-O 3.42Å; I171-V220 PolarHBondContact N-O 2.82Å; V220-I222 HydrophobicContact CG1-CG1 4.33Å; V220-T247 PolarHBondContact N-OG1 3.49Å; V220-K248 HydrophobicContact CG1-CB 4.48Å; V220-K248 HydrophobicContact CG2-CB 4.39Å; V220-Y250 HydrophobicContact CG1-CD2 3.64Å; V220-Y250 HydrophobicContact CG1-CE2 3.66Å
221A98.6Very high96.5Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-100.1129.9177.200000110.6I171 V173 R219 L241 A246 K248 V249 Y250I171-A221 HydrophobicContact CG2-CB 4.03Å; I171-A221 WeakPolarHBondContact O-CA 3.38Å; V173-A221 HydrophobicContact CG2-CB 4.06Å; R219-A221 PolarHBondContact O-N 2.87Å; A221-L241 HydrophobicContact CB-CB 4.43Å; A221-L241 HydrophobicContact CB-CD1 3.84Å; A221-L241 HydrophobicContact CB-CD2 4.16Å; A221-L241 HydrophobicContact CB-CG 4.37Å; A221-A246 HydrophobicContact CB-CB 3.96Å; A221-K248 PolarHBondContact N-O 3.27Å; A221-V249 HydrophobicContact CB-CG2 4.5Å; A221-V249 WeakPolarHBondContact O-CA 3.34Å; A221-Y250 PolarHBondContact O-N 3.39Å
222I98.8Very high96.7Very high0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-115.9102.9179.6-52.1175.8000108I160 I164 C170 I171 I172 V173 V220 V224 I252I160-I222 HydrophobicContact CD1-CD1 4.25Å; I160-I222 HydrophobicContact CG1-CD1 4.26Å; I160-I222 HydrophobicContact CG2-CD1 3.98Å; I164-I222 HydrophobicContact CD1-CD1 3.47Å; I164-I222 VanDerWaalsContact CD1-CD1 3.47Å; I164-I222 HydrophobicContact CD1-CG1 3.96Å; C170-I222 HydrophobicContact CB-CD1 4.04Å; C170-I222 HydrophobicContact CB-CG1 4.41Å; I171-I222 PolarHBondContact O-N 3.4Å; I172-I222 HydrophobicContact CD1-CB 4.04Å; I172-I222 HydrophobicContact CD1-CD1 3.94Å; I172-I222 HydrophobicContact CD1-CG1 4.42Å; V173-I222 PolarHBondContact N-O 2.79Å; V220-I222 HydrophobicContact CG1-CG1 4.33Å; I222-V224 HydrophobicContact CG2-CG2 4.04Å; I222-V224 PolarHBondContact O-N 2.99Å; I222-I252 HydrophobicContact CG2-CD1 3.63Å; I222-I252 HydrophobicContact CG2-CG1 3.86Å
223L98.6Very high96.6Very high0 Ų038 Ų380%021%0.21CC..EExtended strand (participates in β ladder)trans-70.3126.8172.4-77.3161.2000109.4V173 P175 I197 I234 A237 A238 L241 V249 Y250 A251 I252 F271V173-L223 HydrophobicContact CB-CD2 3.88Å; V173-L223 HydrophobicContact CB-CG 4.39Å; V173-L223 HydrophobicContact CG1-CD2 3.69Å; V173-L223 WeakPolarHBondContact O-CA 3.36Å; P175-L223 HydrophobicContact CB-CD2 4.23Å; I197-L223 HydrophobicContact CD1-CD2 4.34Å; L223-I234 HydrophobicContact CB-CD1 4.21Å; L223-I234 HydrophobicContact CB-CG1 4.2Å; L223-I234 HydrophobicContact CD1-CG1 3.88Å; L223-A237 HydrophobicContact CD1-CB 3.91Å; L223-A237 HydrophobicContact CD2-CB 3.88Å; L223-A238 HydrophobicContact CD1-CB 4.21Å; L223-L241 HydrophobicContact CD1-CD1 3.77Å; L223-L241 HydrophobicContact CD2-CD1 3.95Å; L223-L241 HydrophobicContact CG-CD1 3.67Å; L223-V249 HydrophobicContact CD1-CG1 3.86Å; L223-V249 HydrophobicContact CG-CG1 4.45Å; L223-Y250 PolarHBondContact N-O 3.45Å; L223-A251 HydrophobicContact CB-CB 4.47Å; L223-A251 CarbonylContact O-C 3.58Å; L223-A251 WeakPolarHBondContact O-CA 3.32Å; L223-I252 PolarHBondContact O-N 3Å; L223-F271 HydrophobicContact CD1-CE1 4.05Å
224V98.4Very high96.6Very high6 Ų634 Ų344%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-124.7126.5176.8-175.20000110.9I172 V173 P175 V183 I186 I222 I252I172-V224 HydrophobicContact CG2-CB 4.36Å; I172-V224 HydrophobicContact CG2-CG2 3.74Å; V173-V224 PolarHBondContact O-N 3.27Å; P175-V224 VanDerWaalsContact CD-O 3.28Å; P175-V224 WeakPolarHBondContact CD-O 3.38Å; V183-V224 HydrophobicContact CG1-CB 4.18Å; I186-V224 HydrophobicContact CD1-CB 4.39Å; I186-V224 HydrophobicContact CD1-CG1 3.69Å; I186-V224 HydrophobicContact CD1-CG2 4.31Å; I222-V224 HydrophobicContact CG2-CG2 4.04Å; I222-V224 PolarHBondContact O-N 2.99Å; V224-I252 WeakPolarHBondContact CA-O 3.45Å; V224-I252 HydrophobicContact CG2-CB 4.41Å
225D97.3Very high96.8Very high21 Ų2132.3 Ų32.311%0.11217%0.167CC..EExtended strand (participates in β ladder)trans-138.7163.3174.6-147.8-3.7000111.6P175 R182 I252 L253 T254P175-D225 HydrophobicContact CG-CB 3.89Å; P175-D225 WeakPolarHBondContact CG-OD2 3.33Å; R182-D225 IonicContact NH1-OD1 3.69Å; R182-D225 PolarHBondContact NH1-OD1 2.85Å; D225-I252 PolarHBondContact N-O 2.75Å; D225-I252 VanDerWaalsContact N-O 3.09Å; D225-L253 HydrophobicContact CB-CD2 3.54Å; D225-L253 WeakPolarHBondContact O-CA 3.35Å; D225-T254 PolarHBondContact O-N 2.9Å
226D96.8Very high96.8Very high4 Ų433.3 Ų33.32%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-74.3-38.5175.949.1-63.2000110.6H135 R182 T254 H255H135-D226 IonicContact CE1-OD2 2.59Å; H135-D226 IonicContact CG-OD2 2.9Å; H135-D226 IonicContact ND1-OD1 3.61Å; H135-D226 IonicContact ND1-OD2 3.86Å; H135-D226 PolarHBondContact ND1-OD2 3.02Å; R182-D226 VanDerWaalsContact CZ-CB 3.47Å; R182-D226 VanDerWaalsContact CZ-N 3.34Å; R182-D226 IonicContact CZ-OD1 2.97Å; R182-D226 IonicContact NH1-OD1 2.76Å; R182-D226 PolarHBondContact NH1-OD1 2.7Å; R182-D226 IonicContact NH2-OD1 2.74Å; R182-D226 PolarHBondContact NH2-OD1 3.34Å; D226-T254 CarbonylContact O-C 3.56Å; D226-T254 WeakPolarHBondContact O-CA 3.2Å; D226-T254 WeakPolarHBondContact O-CB 3.48Å; D226-T254 PolarHBondContact O-N 2.9Å; D226-H255 PolarHBondContact O-CD2 3.21Å; D226-H255 VanDerWaalsContact O-CD2 3.26Å; D226-H255 PolarHBondContact O-N 3.46Å
227M97Very high96.8Very high18 Ų1833.2 Ų33.29%0.08917%0.168CC..EExtended strand (participates in β ladder)trans-150149.1-178.266.1178.669.700112.1R101 H135 H255 I257R101-M227 VanDerWaalsContact CD-SD 3.54Å; R101-M227 HydrophobicContact CG-CE 4.35Å; R101-M227 HydrophobicContact CG-SD 3.73Å; H135-M227 HydrophobicContact CB-CE 4.19Å; M227-H255 VanDerWaalsContact CA-O 3.25Å; M227-H255 WeakPolarHBondContact CA-O 3.33Å; M227-H255 HydrophobicContact CB-CB 3.8Å; M227-I257 HydrophobicContact CB-CD1 4.17Å; M227-I257 HydrophobicContact CG-CD1 4.31Å; M227-I257 HydrophobicContact SD-CD1 3.68Å
228A97.3Very high96.8Very high8 Ų826 Ų267%0.06614%0.141CC..EExtended strand (participates in β ladder)trans-126.4129.4166.100000111.9L253 H255 I257 F258A228-L253 HydrophobicContact CB-CD1 3.3Å; A228-L253 HydrophobicContact CB-CD2 3.8Å; A228-L253 HydrophobicContact CB-CG 4.16Å; A228-H255 PolarHBondContact N-O 3.07Å; A228-H255 VanDerWaalsContact N-O 3.14Å; A228-I257 WeakPolarHBondContact O-CB 3.47Å; A228-I257 PolarHBondContact O-N 3.15Å; A228-I257 VanDerWaalsContact O-N 3.07Å; A228-F258 HydrophobicContact CB-CD1 4.45Å; A228-F258 HydrophobicContact CB-CE1 4.07Å; A228-F258 PolarHBondContact O-N 2.8Å
229D96Very high96.8Very high37 Ų3723.3 Ų23.320%0.19813%0.127CC..SBendtrans-99-83.6-174.8-169.2-3.5000111.6R101 C231 I257 F258 S259 A262R101-D229 IonicContact CZ-OD2 3.69Å; R101-D229 IonicContact NH1-OD2 3.45Å; R101-D229 PolarHBondContact NH1-OD2 2.89Å; R101-D229 IonicContact NH2-OD2 3.26Å; R101-D229 PolarHBondContact NH2-OD2 3.44Å; D229-C231 VanDerWaalsContact C-N 3.32Å; D229-I257 HydrophobicContact CB-CG2 4.45Å; D229-F258 CarbonylContact O-C 3.58Å; D229-F258 WeakPolarHBondContact O-CA 3.3Å; D229-F258 PolarHBondContact O-N 3.47Å; D229-S259 PolarHBondContact O-N 2.87Å; D229-S259 VanDerWaalsContact OD1-CB 3.31Å; D229-S259 WeakPolarHBondContact OD1-CB 3.11Å; D229-S259 PolarHBondContact OD1-OG 2.93Å; D229-A262 WeakPolarHBondContact O-CB 3.07Å
230T95.9Very high96.7Very high58 Ų5824.8 Ų24.836%0.35613%0.134SC..SBendtrans-901.7177.765.80000113.3G232 R265T230-G232 PolarHBondContact O-N 3.33Å; T230-R265 WeakPolarHBondContact O-CD 3.47Å; T230-R265 PolarHBondContact O-NH1 2.98Å; T230-R265 PolarHBondContact OG1-NH1 3.1Å
231C96.8Very high96.7Very high6 Ų624.6 Ų24.64%0.04113%0.133CC..  trans55.710.4-176.6-61.10000116.9D229 I234 C235 F258 A262 I266D229-C231 VanDerWaalsContact C-N 3.32Å; C231-I234 HydrophobicContact CB-CG2 3.93Å; C231-I234 WeakPolarHBondContact O-CG2 3.35Å; C231-C235 WeakPolarHBondContact O-CB 3.2Å; C231-C235 PolarHBondContact O-N 3.37Å; C231-C235 PolarHBondContact O-SG 3.4Å; C231-F258 WeakPolarHBondContact SG-CD1 3.33Å; C231-A262 HydrophobicContact CB-CB 4.3Å; C231-I266 HydrophobicContact CB-CG1 4.22Å
232G93.9Very high96.6Very high11 Ų1127.9 Ų27.911%0.11315%0.15CC..Hα-helixtrans-61.4-50.5-179.500000112.8T230 I234 C235 H236T230-G232 PolarHBondContact O-N 3.33Å; G232-I234 PolarHBondContact O-N 3.07Å; G232-C235 PolarHBondContact O-N 3.12Å; G232-H236 PolarHBondContact O-CD2 3.34Å; G232-H236 PolarHBondContact O-N 2.61Å; G232-H236 VanDerWaalsContact O-N 3.14Å
233T92.5Very high96.5Very high65 Ų6532.8 Ų32.840%0.39918%0.184SC..Hα-helixtrans-59.7-48.7179.3-52.30000111.7P175 M210 C235 H236 A237P175-T233 HydrophobicContact CB-CG2 4.38Å; M210-T233 HydrophobicContact CE-CG2 4.35Å; T233-C235 PolarHBondContact O-N 3.31Å; T233-H236 PolarHBondContact O-N 3.01Å; T233-A237 WeakPolarHBondContact O-CB 3.44Å; T233-A237 PolarHBondContact O-N 2.83Å
234I95.9Very high96.5Very high8 Ų834.2 Ų34.24%0.04120%0.196CC..Hα-helixtrans-70.1-33.9-175-156.1164.1000112.4L223 C231 G232 A237 A238 A251 L253 F271L223-I234 HydrophobicContact CB-CD1 4.21Å; L223-I234 HydrophobicContact CB-CG1 4.2Å; L223-I234 HydrophobicContact CD1-CG1 3.88Å; C231-I234 HydrophobicContact CB-CG2 3.93Å; C231-I234 WeakPolarHBondContact O-CG2 3.35Å; G232-I234 PolarHBondContact O-N 3.07Å; I234-A237 WeakPolarHBondContact O-CB 3.48Å; I234-A237 PolarHBondContact O-N 3.06Å; I234-A238 PolarHBondContact O-N 2.97Å; I234-A251 HydrophobicContact CD1-CB 3.6Å; I234-A251 HydrophobicContact CG1-CB 4.26Å; I234-L253 HydrophobicContact CD1-CD2 3.77Å; I234-L253 HydrophobicContact CD1-CG 4.35Å; I234-F271 HydrophobicContact CB-CZ 4.47Å; I234-F271 HydrophobicContact CG1-CE1 4.43Å; I234-F271 HydrophobicContact CG1-CZ 4.04Å; I234-F271 HydrophobicContact CG2-CE2 4.48Å; I234-F271 HydrophobicContact CG2-CZ 4.08Å; I234-F271 WeakPolarHBondContact O-CZ 3.28Å
235C96.9Very high96.4Very high11 Ų1135.2 Ų35.27%0.07421%0.208CC..Hα-helixtrans-67.1-45.9174.8-64.70000111.4C231 G232 T233 A237 A238 D239 A269C231-C235 WeakPolarHBondContact O-CB 3.2Å; C231-C235 PolarHBondContact O-N 3.37Å; C231-C235 PolarHBondContact O-SG 3.4Å; G232-C235 PolarHBondContact O-N 3.12Å; T233-C235 PolarHBondContact O-N 3.31Å; C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.94Å; C235-A238 WeakPolarHBondContact O-CB 3.49Å; C235-A238 PolarHBondContact O-N 2.8Å; C235-A238 VanDerWaalsContact O-N 3.12Å; C235-D239 PolarHBondContact O-N 3.42Å; C235-A269 HydrophobicContact CB-CB 4.16Å
236H94.9Very high96.5Very high108 Ų10834.7 Ų34.750%0.521%0.206SC..Hα-helixtrans-63.9-35.1175.4-70.6-48.2000112.6M210 G232 T233 A238 D239 K240M210-H236 HydrophobicContact CE-CB 3.5Å; M210-H236 HydrophobicContact SD-CB 3.76Å; G232-H236 PolarHBondContact O-CD2 3.34Å; G232-H236 PolarHBondContact O-N 2.61Å; G232-H236 VanDerWaalsContact O-N 3.14Å; T233-H236 PolarHBondContact O-N 3.01Å; H236-A238 VanDerWaalsContact C-N 3.33Å; H236-D239 PolarHBondContact O-N 2.68Å; H236-K240 WeakPolarHBondContact O-CB 3.23Å; H236-K240 PolarHBondContact O-N 2.93Å
237A96.1Very high96.5Very high0 Ų038.2 Ų38.20%023%0.228CC..Hα-helixtrans-61.4-43.2172.400000111.3I197 L223 T233 I234 C235 K240 L241I197-A237 HydrophobicContact CD1-CB 3.5Å; L223-A237 HydrophobicContact CD1-CB 3.91Å; L223-A237 HydrophobicContact CD2-CB 3.88Å; T233-A237 WeakPolarHBondContact O-CB 3.44Å; T233-A237 PolarHBondContact O-N 2.83Å; I234-A237 WeakPolarHBondContact O-CB 3.48Å; I234-A237 PolarHBondContact O-N 3.06Å; C235-A237 VanDerWaalsContact C-N 3.28Å; C235-A237 PolarHBondContact O-N 2.94Å; A237-K240 WeakPolarHBondContact O-CB 3.33Å; A237-K240 PolarHBondContact O-N 2.88Å; A237-L241 VanDerWaalsContact O-CG 3.27Å; A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 3.26Å
238A97.7Very high96.6Very high0 Ų040.9 Ų40.90%024%0.239CC..Hα-helixtrans-61.5-46.9176.500000112.2L223 I234 C235 H236 K240 L241 I242 V249 C270 F271L223-A238 HydrophobicContact CD1-CB 4.21Å; I234-A238 PolarHBondContact O-N 2.97Å; C235-A238 WeakPolarHBondContact O-CB 3.49Å; C235-A238 PolarHBondContact O-N 2.8Å; C235-A238 VanDerWaalsContact O-N 3.12Å; H236-A238 VanDerWaalsContact C-N 3.33Å; A238-K240 PolarHBondContact O-N 2.76Å; A238-L241 WeakPolarHBondContact O-CB 3.39Å; A238-L241 PolarHBondContact O-N 2.89Å; A238-L241 VanDerWaalsContact O-N 3.11Å; A238-I242 PolarHBondContact O-N 3.11Å; A238-V249 HydrophobicContact CB-CB 4.45Å; A238-V249 HydrophobicContact CB-CG1 3.85Å; A238-C270 VanDerWaalsContact C-SG 3.57Å; A238-F271 HydrophobicContact CB-CD1 4.15Å; A238-F271 HydrophobicContact CB-CE1 3.5Å; A238-F271 HydrophobicContact CB-CE2 4.43Å; A238-F271 HydrophobicContact CB-CZ 3.66Å
239D96.4Very high96.6Very high74 Ų7440.6 Ų40.640%0.39624%0.236SC..Hα-helixtrans-59.6-38.8176.4-62.2-25.5000111.6C235 H236 S243C235-D239 PolarHBondContact O-N 3.42Å; H236-D239 PolarHBondContact O-N 2.68Å; D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 2.87Å; D239-S243 PolarHBondContact O-OG 3.33Å
240K96.2Very high96.8Very high81 Ų8139.6 Ų39.635%0.35223%0.23SC..Hα-helixtrans-66.5-37.8177.6-176.157.8178.6172.50112.2M210 H236 A237 A238 A244M210-K240 HydrophobicContact CB-CG 4.47Å; M210-K240 WeakPolarHBondContact O-CE 3.49Å; H236-K240 WeakPolarHBondContact O-CB 3.23Å; H236-K240 PolarHBondContact O-N 2.93Å; A237-K240 WeakPolarHBondContact O-CB 3.33Å; A237-K240 PolarHBondContact O-N 2.88Å; A238-K240 PolarHBondContact O-N 2.76Å; K240-A244 WeakPolarHBondContact O-CB 3.25Å; K240-A244 PolarHBondContact O-N 2.9Å
241L97.9Very high96.9Very high0 Ų036.9 Ų36.90%021%0.213CC..Hα-helixtrans-67.6-46.4177-70.9169000111.7V173 I197 L212 V216 A221 L223 A237 A238 S243 A244 G245 A246 V249V173-L241 HydrophobicContact CB-CD1 4.36Å; V173-L241 HydrophobicContact CG1-CD1 4.24Å; V173-L241 HydrophobicContact CG1-CD2 4.07Å; V173-L241 HydrophobicContact CG2-CD1 4.23Å; V173-L241 HydrophobicContact CG2-CD2 3.93Å; I197-L241 HydrophobicContact CD1-CD2 4.47Å; I197-L241 HydrophobicContact CD1-CG 4.27Å; L212-L241 HydrophobicContact CD1-CD2 4.09Å; L212-L241 HydrophobicContact CD2-CD2 4.31Å; V216-L241 HydrophobicContact CB-CD2 4.18Å; V216-L241 HydrophobicContact CG1-CD2 3.66Å; V216-L241 HydrophobicContact CG2-CD2 4.09Å; A221-L241 HydrophobicContact CB-CB 4.43Å; A221-L241 HydrophobicContact CB-CD1 3.84Å; A221-L241 HydrophobicContact CB-CD2 4.16Å; A221-L241 HydrophobicContact CB-CG 4.37Å; L223-L241 HydrophobicContact CD1-CD1 3.77Å; L223-L241 HydrophobicContact CD2-CD1 3.95Å; L223-L241 HydrophobicContact CG-CD1 3.67Å; A237-L241 VanDerWaalsContact O-CG 3.27Å; A237-L241 WeakPolarHBondContact O-CG 3.34Å; A237-L241 PolarHBondContact O-N 3.26Å; A238-L241 WeakPolarHBondContact O-CB 3.39Å; A238-L241 PolarHBondContact O-N 2.89Å; A238-L241 VanDerWaalsContact O-N 3.11Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.09Å; L241-A244 CarbonylContact O-C 3.57Å; L241-A244 PolarHBondContact O-N 2.89Å; L241-A244 VanDerWaalsContact O-N 3.08Å; L241-G245 PolarHBondContact O-N 3.49Å; L241-A246 HydrophobicContact CB-CB 4.09Å; L241-A246 WeakPolarHBondContact O-CB 3.39Å; L241-A246 PolarHBondContact O-N 2.81Å; L241-V249 HydrophobicContact CB-CG2 3.89Å; L241-V249 HydrophobicContact CD1-CG1 4.02Å; L241-V249 HydrophobicContact CD1-CG2 4.36Å
242I97.9Very high97Very high70 Ų7036.7 Ų36.736%0.35921%0.212SC..Hα-helixtrans-59.1-46173.8-66.7-60.2000110.6A238 A244 G245 V249 C270A238-I242 PolarHBondContact O-N 3.11Å; I242-A244 PolarHBondContact O-N 3.45Å; I242-A244 VanDerWaalsContact O-N 3.17Å; I242-G245 PolarHBondContact O-N 2.77Å; I242-V249 HydrophobicContact CD1-CG2 3.7Å; I242-V249 HydrophobicContact CG1-CG2 3.9Å; I242-C270 HydrophobicContact CG1-CB 4.02Å; I242-C270 VanDerWaalsContact CG1-SG 3.53Å
243S96.4Very high97.2Very high102 Ų10236.2 Ų36.271%0.71321%0.207SC*.Hα-helixtrans-62.5-23.6177.2-58.40000113.6D239 L241D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 2.87Å; D239-S243 PolarHBondContact O-OG 3.33Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.09Å
244A97.1Very high97.5Very high31 Ų3133.6 Ų33.626%0.25619%0.19SC..THydrogen-bonded Turntrans-89.7-1.7176.400000113.3L212 V216 K240 L241 I242L212-A244 HydrophobicContact CD2-CB 3.64Å; V216-A244 HydrophobicContact CG2-CB 3.49Å; V216-A244 VanDerWaalsContact CG2-CB 3.49Å; K240-A244 WeakPolarHBondContact O-CB 3.25Å; K240-A244 PolarHBondContact O-N 2.9Å; L241-A244 CarbonylContact O-C 3.57Å; L241-A244 PolarHBondContact O-N 2.89Å; L241-A244 VanDerWaalsContact O-N 3.08Å; I242-A244 PolarHBondContact O-N 3.45Å; I242-A244 VanDerWaalsContact O-N 3.17Å
245G97.7Very high97.6Very high27 Ų2733.3 Ų33.328%0.27819%0.189SC..THydrogen-bonded Turntrans100.916.1174.800000115.3R217 D218 L241 I242R217-G245 CarbonylContact C-O 3.56Å; R217-G245 WeakPolarHBondContact CA-O 3.28Å; D218-G245 PolarHBondContact N-O 2.85Å; L241-G245 PolarHBondContact O-N 3.49Å; I242-G245 PolarHBondContact O-N 2.77Å
246A98.3Very high97.7Very high9 Ų932.8 Ų32.87%0.07419%0.185CC..  trans-63.4138.8171.900000110.9V216 R219 A221 L241 V249V216-A246 HydrophobicContact CG2-CB 4.38Å; V216-A246 WeakPolarHBondContact O-CA 3.33Å; R219-A246 CarbonylContact O-C 3.58Å; R219-A246 WeakPolarHBondContact O-CA 3.41Å; A221-A246 HydrophobicContact CB-CB 3.96Å; L241-A246 HydrophobicContact CB-CB 4.09Å; L241-A246 WeakPolarHBondContact O-CB 3.39Å; L241-A246 PolarHBondContact O-N 2.81Å; A246-V249 HydrophobicContact CB-CG2 4.33Å
247T97.9Very high97.8Very high78 Ų7829.6 Ų29.648%0.47917%0.172SC..SBendtrans-76.5-41-177.5530000112.3R219 V220R219-T247 PolarHBondContact O-N 3.46Å; R219-T247 PolarHBondContact O-OG1 2.89Å; V220-T247 PolarHBondContact N-OG1 3.49Å
248K98.3Very high97.9Very high75 Ų7530.1 Ų30.133%0.32617%0.174SC..EExtended strand (participates in β ladder)trans-144.9151.7175.5-64.8-176.5179.4-177.70109.1V220 A221 Y250 E272V220-K248 HydrophobicContact CG1-CB 4.48Å; V220-K248 HydrophobicContact CG2-CB 4.39Å; A221-K248 PolarHBondContact N-O 3.27Å; K248-Y250 HydrophobicContact CB-CE2 4.31Å; K248-E272 HydrophobicContact CD-CG 4.39Å; K248-E272 IonicContact NZ-OE1 3.36Å
249V98.6Very high97.8Very high1 Ų132.4 Ų32.41%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-121.9124.1175.2-175.50000110A221 L223 A238 L241 I242 A246 F271 E272A221-V249 HydrophobicContact CB-CG2 4.5Å; A221-V249 WeakPolarHBondContact O-CA 3.34Å; L223-V249 HydrophobicContact CD1-CG1 3.86Å; L223-V249 HydrophobicContact CG-CG1 4.45Å; A238-V249 HydrophobicContact CB-CB 4.45Å; A238-V249 HydrophobicContact CB-CG1 3.85Å; L241-V249 HydrophobicContact CB-CG2 3.89Å; L241-V249 HydrophobicContact CD1-CG1 4.02Å; L241-V249 HydrophobicContact CD1-CG2 4.36Å; I242-V249 HydrophobicContact CD1-CG2 3.7Å; I242-V249 HydrophobicContact CG1-CG2 3.9Å; A246-V249 HydrophobicContact CB-CG2 4.33Å; V249-F271 HydrophobicContact CG1-CD1 4Å; V249-F271 HydrophobicContact CG1-CE1 4Å; V249-F271 WeakPolarHBondContact O-CA 3.49Å; V249-E272 PolarHBondContact O-N 3.09Å
250Y98.8Very high97.8Very high17 Ų1732.3 Ų32.37%0.06721%0.207CC..EExtended strand (participates in β ladder)trans-105.6153.1167.5-67.5-94.6000109.4W159 I164 V220 A221 L223 K248 E272 A273W159-Y250 HydrophobicContact CH2-CD1 4.04Å; W159-Y250 HydrophobicContact CH2-CE1 4.2Å; I164-Y250 HydrophobicContact CD1-CD1 4.14Å; I164-Y250 HydrophobicContact CD1-CD2 3.73Å; I164-Y250 HydrophobicContact CD1-CE1 4.29Å; I164-Y250 HydrophobicContact CD1-CE2 3.89Å; I164-Y250 HydrophobicContact CD1-CG 3.85Å; I164-Y250 HydrophobicContact CG1-CD1 4.47Å; I164-Y250 HydrophobicContact CG1-CD2 4.35Å; I164-Y250 HydrophobicContact CG1-CE1 4.14Å; I164-Y250 HydrophobicContact CG1-CE2 4Å; I164-Y250 HydrophobicContact CG2-CE2 4.33Å; V220-Y250 HydrophobicContact CG1-CD2 3.64Å; V220-Y250 HydrophobicContact CG1-CE2 3.66Å; A221-Y250 PolarHBondContact O-N 3.39Å; L223-Y250 PolarHBondContact N-O 3.45Å; K248-Y250 HydrophobicContact CB-CE2 4.31Å; Y250-E272 HydrophobicContact CD1-CB 4.17Å; Y250-E272 HydrophobicContact CD1-CG 4.47Å; Y250-E272 HydrophobicContact CE1-CB 3.83Å; Y250-E272 HydrophobicContact CE1-CG 3.64Å; Y250-E272 HydrophobicContact CE2-CB 4.2Å; Y250-E272 HydrophobicContact CE2-CG 4.23Å; Y250-E272 WeakPolarHBondContact OH-CG 3.49Å; Y250-A273 HydrophobicContact CD1-CB 3.95Å; Y250-A273 HydrophobicContact CE1-CB 4.11Å
251A98.7Very high97.8Very high0 Ų031 Ų310%021%0.206CC..EExtended strand (participates in β ladder)trans-121133.5165.700000109.3L223 I234 F271 A273 V274 V275L223-A251 HydrophobicContact CB-CB 4.47Å; L223-A251 CarbonylContact O-C 3.58Å; L223-A251 WeakPolarHBondContact O-CA 3.32Å; I234-A251 HydrophobicContact CD1-CB 3.6Å; I234-A251 HydrophobicContact CG1-CB 4.26Å; A251-F271 HydrophobicContact CB-CD1 3.93Å; A251-F271 HydrophobicContact CB-CE1 3.64Å; A251-F271 HydrophobicContact CB-CZ 4.19Å; A251-A273 PolarHBondContact N-O 2.73Å; A251-V274 HydrophobicContact CB-CG1 4.26Å; A251-V274 HydrophobicContact CB-CG2 4.24Å; A251-V274 CarbonylContact O-C 3.51Å; A251-V274 WeakPolarHBondContact O-CA 3.27Å; A251-V275 PolarHBondContact O-N 2.91Å
252I98.8Very high97.8Very high2 Ų231 Ų311%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-126127.5174.5-52.1-176.9000108.4V156 W159 I160 I222 L223 V224 D225 V275V156-I252 HydrophobicContact CB-CG2 4.37Å; V156-I252 HydrophobicContact CG1-CD1 3.97Å; V156-I252 HydrophobicContact CG1-CG2 3.8Å; V156-I252 HydrophobicContact CG2-CG2 3.71Å; W159-I252 HydrophobicContact CE3-CD1 3.91Å; W159-I252 HydrophobicContact CZ3-CD1 4.04Å; I160-I252 HydrophobicContact CD1-CD1 3.78Å; I160-I252 HydrophobicContact CG1-CD1 3.53Å; I222-I252 HydrophobicContact CG2-CD1 3.63Å; I222-I252 HydrophobicContact CG2-CG1 3.86Å; L223-I252 PolarHBondContact O-N 3Å; V224-I252 WeakPolarHBondContact CA-O 3.45Å; V224-I252 HydrophobicContact CG2-CB 4.41Å; D225-I252 PolarHBondContact N-O 2.75Å; D225-I252 VanDerWaalsContact N-O 3.09Å; I252-V275 CarbonylContact C-O 3.57Å; I252-V275 WeakPolarHBondContact CA-O 3.37Å; I252-V275 HydrophobicContact CB-CB 4.44Å; I252-V275 HydrophobicContact CG1-CB 4.1Å; I252-V275 HydrophobicContact CG1-CG2 4.22Å; I252-V275 HydrophobicContact CG2-CB 4.26Å
253L98.5Very high97.8Very high2 Ų229.1 Ų29.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-132.9136.8-173.9-59.4166.3000108.5D225 A228 I234 F258 V274 V275 V276 T277D225-L253 HydrophobicContact CB-CD2 3.54Å; D225-L253 WeakPolarHBondContact O-CA 3.35Å; A228-L253 HydrophobicContact CB-CD1 3.3Å; A228-L253 HydrophobicContact CB-CD2 3.8Å; A228-L253 HydrophobicContact CB-CG 4.16Å; I234-L253 HydrophobicContact CD1-CD2 3.77Å; I234-L253 HydrophobicContact CD1-CG 4.35Å; L253-F258 HydrophobicContact CD1-CE1 3.64Å; L253-F258 HydrophobicContact CD1-CZ 3.85Å; L253-V274 HydrophobicContact CD1-CG1 4.19Å; L253-V275 PolarHBondContact N-O 2.86Å; L253-V276 HydrophobicContact CB-CG1 3.88Å; L253-V276 HydrophobicContact CD1-CG1 4.1Å; L253-V276 VanDerWaalsContact O-CA 3.23Å; L253-V276 WeakPolarHBondContact O-CA 3.47Å; L253-T277 PolarHBondContact O-N 3.07Å
254T98.3Very high97.9Very high9 Ų927.3 Ų27.36%0.05518%0.184CC..EExtended strand (participates in β ladder)trans-67.6-56.9169-56.10000109M132 D133 A152 D225 D226 T277 T279M132-T254 HydrophobicContact CG-CG2 4.07Å; M132-T254 HydrophobicContact SD-CG2 4.22Å; D133-T254 HydrophobicContact CB-CG2 3.92Å; D133-T254 WeakPolarHBondContact OD2-CB 3.42Å; D133-T254 WeakPolarHBondContact OD2-CG2 3.36Å; D133-T254 PolarHBondContact OD2-OG1 3.33Å; A152-T254 HydrophobicContact CB-CG2 3.91Å; D225-T254 PolarHBondContact O-N 2.9Å; D226-T254 CarbonylContact O-C 3.56Å; D226-T254 WeakPolarHBondContact O-CA 3.2Å; D226-T254 WeakPolarHBondContact O-CB 3.48Å; D226-T254 PolarHBondContact O-N 2.9Å; T254-T277 HydrophobicContact CG2-CG2 3.98Å; T254-T277 WeakPolarHBondContact O-CB 3.4Å; T254-T277 PolarHBondContact O-N 3.14Å; T254-T277 VanDerWaalsContact O-N 3.1Å; T254-T277 PolarHBondContact O-OG1 2.82Å; T254-T279 HydrophobicContact CG2-CG2 4.33Å; T254-T279 PolarHBondContact O-OG1 3.09Å
255H98.4Very high98Very high2 Ų230.5 Ų30.51%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-105.7105.7-173.3-46-64.2000112.5P95 M132 D133 D226 M227 A228 I257 T279 I280P95-H255 PolarHBondContact O-CE1 2.91Å; M132-H255 PolarHBondContact O-CE1 2.98Å; M132-H255 PolarHBondContact O-NE2 3.43Å; M132-H255 VanDerWaalsContact O-NE2 3.13Å; D133-H255 PolarHBondContact O-NE2 3.06Å; D226-H255 PolarHBondContact O-CD2 3.21Å; D226-H255 VanDerWaalsContact O-CD2 3.26Å; D226-H255 PolarHBondContact O-N 3.46Å; M227-H255 VanDerWaalsContact CA-O 3.25Å; M227-H255 WeakPolarHBondContact CA-O 3.33Å; M227-H255 HydrophobicContact CB-CB 3.8Å; A228-H255 PolarHBondContact N-O 3.07Å; A228-H255 VanDerWaalsContact N-O 3.14Å; H255-I257 PolarHBondContact O-N 2.9Å; H255-I257 VanDerWaalsContact O-N 3.09Å; H255-T279 WeakPolarHBondContact ND1-CB 3.37Å; H255-T279 PolarHBondContact ND1-OG1 3.36Å; H255-I280 HydrophobicContact CB-CD1 4.23Å
256G97.9Very high98Very high0 Ų029.2 Ų29.20%018%0.176CC..EExtended strand (participates in β ladder)trans-79.875.9173.900000113.3Q282 K285G256-Q282 PolarHBondContact O-NE2 2.85Å; G256-K285 PolarHBondContact O-NZ 3.09Å
257I97.8Very high98Very high42 Ų4231.4 Ų31.422%0.21519%0.187CC..  trans-66.7-46.7179.6-61.2170.6000110.4M227 A228 D229 H255 S259 I280 K285M227-I257 HydrophobicContact CB-CD1 4.17Å; M227-I257 HydrophobicContact CG-CD1 4.31Å; M227-I257 HydrophobicContact SD-CD1 3.68Å; A228-I257 WeakPolarHBondContact O-CB 3.47Å; A228-I257 PolarHBondContact O-N 3.15Å; A228-I257 VanDerWaalsContact O-N 3.07Å; D229-I257 HydrophobicContact CB-CG2 4.45Å; H255-I257 PolarHBondContact O-N 2.9Å; H255-I257 VanDerWaalsContact O-N 3.09Å; I257-S259 PolarHBondContact O-N 2.85Å; I257-I280 HydrophobicContact CB-CD1 4.37Å; I257-I280 HydrophobicContact CG1-CD1 3.63Å; I257-K285 PolarHBondContact O-NZ 3.34Å
258F97.6Very high98Very high10 Ų1034.5 Ų34.54%0.04420%0.201CC..  trans45.656.1171.2-56.1-29.7000114.9A228 D229 C231 L253 A262 I263 I266 V274 V276 K285 I292A228-F258 HydrophobicContact CB-CD1 4.45Å; A228-F258 HydrophobicContact CB-CE1 4.07Å; A228-F258 PolarHBondContact O-N 2.8Å; D229-F258 CarbonylContact O-C 3.58Å; D229-F258 WeakPolarHBondContact O-CA 3.3Å; D229-F258 PolarHBondContact O-N 3.47Å; C231-F258 WeakPolarHBondContact SG-CD1 3.33Å; L253-F258 HydrophobicContact CD1-CE1 3.64Å; L253-F258 HydrophobicContact CD1-CZ 3.85Å; F258-A262 VanDerWaalsContact C-CB 3.46Å; F258-A262 VanDerWaalsContact CA-CB 3.43Å; F258-A262 HydrophobicContact CB-CB 3.82Å; F258-A262 HydrophobicContact CD1-CB 4.37Å; F258-A262 HydrophobicContact CG-CB 4.49Å; F258-I263 HydrophobicContact CB-CD1 4.2Å; F258-I263 HydrophobicContact CD2-CD1 4.47Å; F258-I266 HydrophobicContact CD1-CD1 3.95Å; F258-I266 HydrophobicContact CE1-CD1 3.73Å; F258-I266 HydrophobicContact CE2-CD1 4.43Å; F258-I266 HydrophobicContact CG-CD1 4.38Å; F258-I266 HydrophobicContact CZ-CD1 3.98Å; F258-V274 HydrophobicContact CE1-CG1 4.44Å; F258-V274 HydrophobicContact CZ-CG1 3.83Å; F258-V276 HydrophobicContact CE1-CG1 4.38Å; F258-V276 HydrophobicContact CE2-CG1 3.6Å; F258-V276 HydrophobicContact CE2-CG2 4.26Å; F258-V276 HydrophobicContact CZ-CG1 3.35Å; F258-K285 HydrophobicContact CB-CD 3.74Å; F258-K285 HydrophobicContact CD2-CD 3.78Å; F258-K285 HydrophobicContact CG-CD 4.28Å; F258-I292 HydrophobicContact CD2-CD1 4.08Å; F258-I292 HydrophobicContact CE2-CD1 3.84Å; F258-I292 HydrophobicContact CE2-CG1 4.38Å
259S95.7Very high98Very high48 Ų4831.3 Ų31.334%0.33619%0.188SC..  trans-89.6160.1178.181.50000112.7D229 I257 A262D229-S259 PolarHBondContact O-N 2.87Å; D229-S259 VanDerWaalsContact OD1-CB 3.31Å; D229-S259 WeakPolarHBondContact OD1-CB 3.11Å; D229-S259 PolarHBondContact OD1-OG 2.93Å; I257-S259 PolarHBondContact O-N 2.85Å; S259-A262 WeakPolarHBondContact O-CB 3.4Å; S259-A262 PolarHBondContact O-N 3.32Å
260G96.3Very high98Very high73 Ų7333.8 Ų33.875%0.75321%0.205SC*.THydrogen-bonded Turntrans55.1-122.817500000112.7A262G260-A262 PolarHBondContact O-N 3.47Å
261P97.4Very high98Very high52 Ų5233.3 Ų33.334%0.33820%0.203SC..THydrogen-bonded Turntrans-79.811.7-175.436.1-38.4000114.2I263 S264 R265P261-I263 PolarHBondContact O-N 2.59Å; P261-S264 PolarHBondContact O-N 2.71Å; P261-S264 PolarHBondContact O-OG 2.93Å; P261-R265 HydrophobicContact CB-CG 4.44Å; P261-R265 WeakPolarHBondContact O-CB 3.08Å; P261-R265 VanDerWaalsContact O-CG 3.26Å; P261-R265 WeakPolarHBondContact O-CG 3.42Å; P261-R265 PolarHBondContact O-N 3.36Å
262A98Very high97.9Very high0 Ų038.1 Ų38.10%023%0.225CC..Hα-helixtrans-57.4-49.3-172.200000113.5D229 C231 F258 S259 G260 R265 I266D229-A262 WeakPolarHBondContact O-CB 3.07Å; C231-A262 HydrophobicContact CB-CB 4.3Å; F258-A262 VanDerWaalsContact C-CB 3.46Å; F258-A262 VanDerWaalsContact CA-CB 3.43Å; F258-A262 HydrophobicContact CB-CB 3.82Å; F258-A262 HydrophobicContact CD1-CB 4.37Å; F258-A262 HydrophobicContact CG-CB 4.49Å; S259-A262 WeakPolarHBondContact O-CB 3.4Å; S259-A262 PolarHBondContact O-N 3.32Å; G260-A262 PolarHBondContact O-N 3.47Å; A262-R265 PolarHBondContact O-N 2.86Å; A262-I266 VanDerWaalsContact O-CG1 3.3Å; A262-I266 WeakPolarHBondContact O-CG1 3.36Å; A262-I266 PolarHBondContact O-N 3.45Å
263I98.4Very high97.9Very high32 Ų3238.1 Ų38.116%0.16423%0.226CC..Hα-helixtrans-63.2-45.5-177.2-61.5-53.4000111.5F258 P261 R265 I266 N267 K285 H288 C289 I292F258-I263 HydrophobicContact CB-CD1 4.2Å; F258-I263 HydrophobicContact CD2-CD1 4.47Å; P261-I263 PolarHBondContact O-N 2.59Å; I263-R265 VanDerWaalsContact C-N 3.33Å; I263-R265 PolarHBondContact O-N 3.22Å; I263-I266 PolarHBondContact O-N 3.27Å; I263-N267 PolarHBondContact O-N 3.43Å; I263-N267 PolarHBondContact O-ND2 3.45Å; I263-K285 HydrophobicContact CD1-CB 3.83Å; I263-K285 HydrophobicContact CD1-CD 4.22Å; I263-K285 HydrophobicContact CD1-CG 4.11Å; I263-H288 HydrophobicContact CG2-CB 3.81Å; I263-C289 HydrophobicContact CD1-CB 4.49Å; I263-C289 HydrophobicContact CG2-CB 4.08Å; I263-I292 HydrophobicContact CD1-CD1 3.89Å
264S98.3Very high97.9Very high64 Ų6438.2 Ų38.245%0.44823%0.226SC..Hα-helixtrans-65.1-38.8177.559.40000111.8P261 N267 N268P261-S264 PolarHBondContact O-N 2.71Å; P261-S264 PolarHBondContact O-OG 2.93Å; S264-N267 PolarHBondContact O-N 3.15Å; S264-N268 WeakPolarHBondContact O-CB 3.47Å; S264-N268 VanDerWaalsContact O-CG 3.26Å; S264-N268 PolarHBondContact O-N 3.24Å; S264-N268 VanDerWaalsContact O-N 3.11Å; S264-N268 PolarHBondContact O-ND2 3.43Å
265R98.4Very high98Very high97 Ų9737.8 Ų37.837%0.36622%0.224SC..Hα-helixtrans-62.9-46174.3-75.6172.4173.4175.1-1.3112.3T230 P261 A262 I263 N267 N268 A269T230-R265 WeakPolarHBondContact O-CD 3.47Å; T230-R265 PolarHBondContact O-NH1 2.98Å; T230-R265 PolarHBondContact OG1-NH1 3.1Å; P261-R265 HydrophobicContact CB-CG 4.44Å; P261-R265 WeakPolarHBondContact O-CB 3.08Å; P261-R265 VanDerWaalsContact O-CG 3.26Å; P261-R265 WeakPolarHBondContact O-CG 3.42Å; P261-R265 PolarHBondContact O-N 3.36Å; A262-R265 PolarHBondContact O-N 2.86Å; I263-R265 VanDerWaalsContact C-N 3.33Å; I263-R265 PolarHBondContact O-N 3.22Å; R265-N267 PolarHBondContact O-N 3.15Å; R265-N268 PolarHBondContact O-N 2.91Å; R265-A269 WeakPolarHBondContact O-CB 3.41Å; R265-A269 PolarHBondContact O-N 3.23Å
266I98.5Very high98Very high1 Ų137.7 Ų37.71%0.00522%0.224CC..Hα-helixtrans-61.9-45.4178.1-68.3164.4000110.9C231 F258 A262 I263 N268 A269 F271 V274 C289 K291C231-I266 HydrophobicContact CB-CG1 4.22Å; F258-I266 HydrophobicContact CD1-CD1 3.95Å; F258-I266 HydrophobicContact CE1-CD1 3.73Å; F258-I266 HydrophobicContact CE2-CD1 4.43Å; F258-I266 HydrophobicContact CG-CD1 4.38Å; F258-I266 HydrophobicContact CZ-CD1 3.98Å; A262-I266 VanDerWaalsContact O-CG1 3.3Å; A262-I266 WeakPolarHBondContact O-CG1 3.36Å; A262-I266 PolarHBondContact O-N 3.45Å; I263-I266 PolarHBondContact O-N 3.27Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 2.94Å; I266-A269 PolarHBondContact O-N 2.9Å; I266-F271 HydrophobicContact CG2-CD2 4.49Å; I266-V274 HydrophobicContact CD1-CG1 4.44Å; I266-V274 HydrophobicContact CG1-CG2 4.43Å; I266-V274 HydrophobicContact CG2-CB 4.25Å; I266-V274 HydrophobicContact CG2-CG2 3.51Å; I266-C289 WeakPolarHBondContact CG2-SG 3.25Å; I266-K291 HydrophobicContact CG2-CB 4.32Å; I266-K291 HydrophobicContact CG2-CD 4.43Å; I266-K291 PolarHBondContact O-NZ 2.93Å
267N98.4Very high98Very high54 Ų5437.8 Ų37.829%0.28922%0.224SC..Hα-helixtrans-58.5-42.7178.5-79.4-26.2000111.8I263 S264 R265 H288 C289 K291I263-N267 PolarHBondContact O-N 3.43Å; I263-N267 PolarHBondContact O-ND2 3.45Å; S264-N267 PolarHBondContact O-N 3.15Å; R265-N267 PolarHBondContact O-N 3.15Å; N267-H288 PolarHBondContact ND2-O 3.36Å; N267-C289 WeakPolarHBondContact OD1-CA 3.49Å; N267-C289 PolarHBondContact OD1-SG 2.96Å; N267-K291 PolarHBondContact O-NZ 3.17Å
268N98.1Very high98Very high144 Ų14435.9 Ų35.977%0.7721%0.214SC*.Hα-helixtrans-80.7-20-178.4-66-22.2000114.2S264 R265 I266S264-N268 WeakPolarHBondContact O-CB 3.47Å; S264-N268 VanDerWaalsContact O-CG 3.26Å; S264-N268 PolarHBondContact O-N 3.24Å; S264-N268 VanDerWaalsContact O-N 3.11Å; S264-N268 PolarHBondContact O-ND2 3.43Å; R265-N268 PolarHBondContact O-N 2.91Å; I266-N268 VanDerWaalsContact C-N 3.29Å; I266-N268 PolarHBondContact O-N 2.94Å
269A97.9Very high98.1Very high8 Ų835.4 Ų35.47%0.06621%0.212CC..SBendtrans-76159.7-17900000112.5C235 R265 I266 F271 K291C235-A269 HydrophobicContact CB-CB 4.16Å; R265-A269 WeakPolarHBondContact O-CB 3.41Å; R265-A269 PolarHBondContact O-N 3.23Å; I266-A269 PolarHBondContact O-N 2.9Å; A269-F271 HydrophobicContact CB-CD2 3.55Å; A269-F271 HydrophobicContact CB-CE2 3.6Å; A269-F271 PolarHBondContact O-N 3.19Å; A269-K291 PolarHBondContact O-NZ 2.64Å
270C97.4Very high98.2Very high52 Ų5233.4 Ų33.435%0.35120%0.198SC..  trans-75.521.3-177.554.60000115.2A238 I242A238-C270 VanDerWaalsContact C-SG 3.57Å; I242-C270 HydrophobicContact CG1-CB 4.02Å; I242-C270 VanDerWaalsContact CG1-SG 3.53Å
271F98.6Very high98.2Very high8 Ų831.9 Ų31.94%0.03517%0.174CC..EExtended strand (participates in β ladder)trans-69.6134.7177.4-63.1-63.5000112.1L223 I234 A238 V249 A251 I266 A269 V274 K291L223-F271 HydrophobicContact CD1-CE1 4.05Å; I234-F271 HydrophobicContact CB-CZ 4.47Å; I234-F271 HydrophobicContact CG1-CE1 4.43Å; I234-F271 HydrophobicContact CG1-CZ 4.04Å; I234-F271 HydrophobicContact CG2-CE2 4.48Å; I234-F271 HydrophobicContact CG2-CZ 4.08Å; I234-F271 WeakPolarHBondContact O-CZ 3.28Å; A238-F271 HydrophobicContact CB-CD1 4.15Å; A238-F271 HydrophobicContact CB-CE1 3.5Å; A238-F271 HydrophobicContact CB-CE2 4.43Å; A238-F271 HydrophobicContact CB-CZ 3.66Å; V249-F271 HydrophobicContact CG1-CD1 4Å; V249-F271 HydrophobicContact CG1-CE1 4Å; V249-F271 WeakPolarHBondContact O-CA 3.49Å; A251-F271 HydrophobicContact CB-CD1 3.93Å; A251-F271 HydrophobicContact CB-CE1 3.64Å; A251-F271 HydrophobicContact CB-CZ 4.19Å; I266-F271 HydrophobicContact CG2-CD2 4.49Å; A269-F271 HydrophobicContact CB-CD2 3.55Å; A269-F271 HydrophobicContact CB-CE2 3.6Å; A269-F271 PolarHBondContact O-N 3.19Å; F271-V274 HydrophobicContact CB-CG2 3.91Å; F271-V274 HydrophobicContact CD1-CG2 4.4Å; F271-V274 HydrophobicContact CD2-CG2 3.71Å; F271-V274 HydrophobicContact CE2-CG2 4.35Å; F271-V274 HydrophobicContact CG-CG2 3.75Å; F271-K291 HydrophobicContact CB-CD 4.44Å; F271-K291 WeakPolarHBondContact O-CD 3.33Å; F271-K291 WeakPolarHBondContact O-CE 3.14Å
272E98.3Very high98.2Very high100 Ų10029.4 Ų29.447%0.46716%0.158SC..EExtended strand (participates in β ladder)trans-70.2-48.4165.1-173.872.7174.300109.8K248 V249 Y250K248-E272 HydrophobicContact CD-CG 4.39Å; K248-E272 IonicContact NZ-OE1 3.36Å; V249-E272 PolarHBondContact O-N 3.09Å; Y250-E272 HydrophobicContact CD1-CB 4.17Å; Y250-E272 HydrophobicContact CD1-CG 4.47Å; Y250-E272 HydrophobicContact CE1-CB 3.83Å; Y250-E272 HydrophobicContact CE1-CG 3.64Å; Y250-E272 HydrophobicContact CE2-CB 4.2Å; Y250-E272 HydrophobicContact CE2-CG 4.23Å; Y250-E272 WeakPolarHBondContact OH-CG 3.49Å
273A98.4Very high98.1Very high3 Ų333 Ų333%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-150.5154.1170.300000111.4Y250 A251Y250-A273 HydrophobicContact CD1-CB 3.95Å; Y250-A273 HydrophobicContact CE1-CB 4.11Å; A251-A273 PolarHBondContact N-O 2.73Å
274V98.8Very high97.9Very high3 Ų336.9 Ų36.92%0.01819%0.193CC..EExtended strand (participates in β ladder)trans-116.8109.5170.2-178.40000108.2A251 L253 F258 I266 F271 K291 I292 Q293A251-V274 HydrophobicContact CB-CG1 4.26Å; A251-V274 HydrophobicContact CB-CG2 4.24Å; A251-V274 CarbonylContact O-C 3.51Å; A251-V274 WeakPolarHBondContact O-CA 3.27Å; L253-V274 HydrophobicContact CD1-CG1 4.19Å; F258-V274 HydrophobicContact CE1-CG1 4.44Å; F258-V274 HydrophobicContact CZ-CG1 3.83Å; I266-V274 HydrophobicContact CD1-CG1 4.44Å; I266-V274 HydrophobicContact CG1-CG2 4.43Å; I266-V274 HydrophobicContact CG2-CB 4.25Å; I266-V274 HydrophobicContact CG2-CG2 3.51Å; F271-V274 HydrophobicContact CB-CG2 3.91Å; F271-V274 HydrophobicContact CD1-CG2 4.4Å; F271-V274 HydrophobicContact CD2-CG2 3.71Å; F271-V274 HydrophobicContact CE2-CG2 4.35Å; F271-V274 HydrophobicContact CG-CG2 3.75Å; V274-K291 PolarHBondContact N-O 3.21Å; V274-I292 CarbonylContact O-C 3.59Å; V274-I292 VanDerWaalsContact O-CA 3.27Å; V274-I292 WeakPolarHBondContact O-CA 3.32Å; V274-Q293 PolarHBondContact O-N 3.46Å
275V98.8Very high97.9Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-97.9131-176.9-168.50000109.2W159 A251 I252 L253 Q293 I295W159-V275 HydrophobicContact CD2-CG1 4.08Å; W159-V275 HydrophobicContact CD2-CG2 4.01Å; W159-V275 HydrophobicContact CE3-CG2 3.98Å; W159-V275 HydrophobicContact CG-CG1 4.35Å; W159-V275 HydrophobicContact CH2-CG2 3.34Å; W159-V275 HydrophobicContact CZ2-CG2 3.32Å; W159-V275 HydrophobicContact CZ3-CG2 3.66Å; A251-V275 PolarHBondContact O-N 2.91Å; I252-V275 CarbonylContact C-O 3.57Å; I252-V275 WeakPolarHBondContact CA-O 3.37Å; I252-V275 HydrophobicContact CB-CB 4.44Å; I252-V275 HydrophobicContact CG1-CB 4.1Å; I252-V275 HydrophobicContact CG1-CG2 4.22Å; I252-V275 HydrophobicContact CG2-CB 4.26Å; L253-V275 PolarHBondContact N-O 2.86Å; V275-Q293 WeakPolarHBondContact CA-O 3.49Å; V275-Q293 HydrophobicContact CG2-CB 4.47Å; V275-I295 HydrophobicContact CG1-CD1 3.62Å; V275-I295 HydrophobicContact CG1-CG1 3.68Å
276V98.7Very high97.9Very high1 Ų134.9 Ų34.91%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-130.3162.7175.3-750000110.7L253 F258 Q282 I292 Q293 V294 I295L253-V276 HydrophobicContact CB-CG1 3.88Å; L253-V276 HydrophobicContact CD1-CG1 4.1Å; L253-V276 VanDerWaalsContact O-CA 3.23Å; L253-V276 WeakPolarHBondContact O-CA 3.47Å; F258-V276 HydrophobicContact CE1-CG1 4.38Å; F258-V276 HydrophobicContact CE2-CG1 3.6Å; F258-V276 HydrophobicContact CE2-CG2 4.26Å; F258-V276 HydrophobicContact CZ-CG1 3.35Å; V276-Q282 HydrophobicContact CG2-CG 3.79Å; V276-I292 HydrophobicContact CG2-CG2 3.89Å; V276-Q293 PolarHBondContact N-O 3.06Å; V276-V294 HydrophobicContact CG2-CG2 4.14Å; V276-V294 CarbonylContact O-C 3.53Å; V276-V294 VanDerWaalsContact O-CA 3.28Å; V276-V294 WeakPolarHBondContact O-CA 3.46Å; V276-I295 PolarHBondContact O-N 2.99Å
277T98.7Very high97.8Very high1 Ų141.7 Ų41.71%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-87164.3162.872.30000111.3A152 L253 T254 T279 I295 I297A152-T277 HydrophobicContact CB-CG2 3.94Å; L253-T277 PolarHBondContact O-N 3.07Å; T254-T277 HydrophobicContact CG2-CG2 3.98Å; T254-T277 WeakPolarHBondContact O-CB 3.4Å; T254-T277 PolarHBondContact O-N 3.14Å; T254-T277 VanDerWaalsContact O-N 3.1Å; T254-T277 PolarHBondContact O-OG1 2.82Å; T277-T279 PolarHBondContact O-N 2.62Å; T277-T279 WeakPolarHBondContact OG1-CB 3.27Å; T277-T279 WeakPolarHBondContact OG1-CG2 3.42Å; T277-T279 PolarHBondContact OG1-N 2.78Å; T277-T279 PolarHBondContact OG1-OG1 2.93Å; T277-I295 VanDerWaalsContact CA-O 3.28Å; T277-I295 WeakPolarHBondContact CA-O 3.32Å; T277-I295 HydrophobicContact CG2-CB 4.44Å; T277-I297 HydrophobicContact CG2-CG2 3.69Å
278N98.1Very high97.8Very high3 Ų345.1 Ų45.12%0.01622%0.224CC..THydrogen-bonded Turntrans-82.332.1165.864.6-19.4000113.1H17 I280 V294 I295 D296 I297H17-N278 PolarHBondContact CD2-O 3.04Å; H17-N278 PolarHBondContact NE2-O 2.89Å; N278-I280 PolarHBondContact O-N 3.39Å; N278-V294 HydrophobicContact CB-CG1 3.77Å; N278-I295 PolarHBondContact N-O 3.45Å; N278-I295 VanDerWaalsContact N-O 3.12Å; N278-I295 PolarHBondContact OD1-O 3.11Å; N278-D296 PolarHBondContact ND2-OD1 2.98Å; N278-D296 WeakPolarHBondContact OD1-CA 3.47Å; N278-I297 WeakPolarHBondContact OD1-CD1 3.47Å; N278-I297 VanDerWaalsContact OD1-CG1 3.25Å; N278-I297 WeakPolarHBondContact OD1-CG1 3.36Å; N278-I297 PolarHBondContact OD1-N 3.25Å
279T98.3Very high97.8Very high0 Ų038.2 Ų38.20%019%0.188CC..THydrogen-bonded Turntrans-65.6-22166.949.90000112.4S63 P95 M132 T254 H255 T277 I297S63-T279 WeakPolarHBondContact CB-O 3.43Å; S63-T279 PolarHBondContact OG-O 3.13Å; P95-T279 HydrophobicContact CB-CG2 3.87Å; M132-T279 HydrophobicContact CB-CG2 4.35Å; M132-T279 HydrophobicContact CG-CG2 4.37Å; M132-T279 HydrophobicContact SD-CG2 3.73Å; T254-T279 HydrophobicContact CG2-CG2 4.33Å; T254-T279 PolarHBondContact O-OG1 3.09Å; H255-T279 WeakPolarHBondContact ND1-CB 3.37Å; H255-T279 PolarHBondContact ND1-OG1 3.36Å; T277-T279 PolarHBondContact O-N 2.62Å; T277-T279 WeakPolarHBondContact OG1-CB 3.27Å; T277-T279 WeakPolarHBondContact OG1-CG2 3.42Å; T277-T279 PolarHBondContact OG1-N 2.78Å; T277-T279 PolarHBondContact OG1-OG1 2.93Å; T279-I297 HydrophobicContact CG2-CD1 4.24Å; T279-I297 HydrophobicContact CG2-CG1 3.87Å
280I97.6Very high97.8Very high6 Ų643.6 Ų43.63%0.03122%0.221CC..SBendtrans-128.4142171.9-63.7-178.2000106.6C65 C96 H255 I257 N278 Q282C65-I280 HydrophobicContact CB-CB 4.25Å; C65-I280 HydrophobicContact CB-CD1 3.98Å; C65-I280 HydrophobicContact CB-CG1 3.84Å; C65-I280 HydrophobicContact CB-CG2 3.64Å; C96-I280 HydrophobicContact CB-CD1 4.14Å; C96-I280 HydrophobicContact CB-CG1 3.92Å; H255-I280 HydrophobicContact CB-CD1 4.23Å; I257-I280 HydrophobicContact CB-CD1 4.37Å; I257-I280 HydrophobicContact CG1-CD1 3.63Å; N278-I280 PolarHBondContact O-N 3.39Å; I280-Q282 WeakPolarHBondContact O-CG 3.49Å; I280-Q282 PolarHBondContact O-N 2.83Å; I280-Q282 PolarHBondContact O-NE2 2.85Å
281P97.4Very high97.8Very high40 Ų4043.4 Ų43.426%0.2622%0.215SC..  trans-56.7135.6177.4-21.830000112.5S16 H17S16-P281 WeakPolarHBondContact O-CG 3.41Å; H17-P281 HydrophobicContact CB-CG 4.16Å; H17-P281 VanDerWaalsContact CD2-CD 3.42Å; H17-P281 WeakPolarHBondContact CD2-CD 3.25Å
282Q97.6Very high97.8Very high1 Ų143.4 Ų43.41%0.00522%0.215CC..  trans-125-9.2-176.1-56.8-56-39.300113.7G256 V276 I280 E284 K285 M286 V294G256-Q282 PolarHBondContact O-NE2 2.85Å; V276-Q282 HydrophobicContact CG2-CG 3.79Å; I280-Q282 WeakPolarHBondContact O-CG 3.49Å; I280-Q282 PolarHBondContact O-N 2.83Å; I280-Q282 PolarHBondContact O-NE2 2.85Å; Q282-E284 VanDerWaalsContact C-N 3.34Å; Q282-E284 PolarHBondContact O-N 3.19Å; Q282-K285 WeakPolarHBondContact O-CA 3.45Å; Q282-K285 WeakPolarHBondContact O-CB 3.31Å; Q282-K285 PolarHBondContact O-N 2.89Å; Q282-M286 HydrophobicContact CB-CG 4.42Å; Q282-M286 HydrophobicContact CB-SD 4.39Å; Q282-M286 WeakPolarHBondContact O-CG 3.09Å; Q282-M286 PolarHBondContact O-N 3.33Å; Q282-V294 HydrophobicContact CB-CG2 3.76Å; Q282-V294 HydrophobicContact CG-CG2 4.05Å
283E95.4Very high97.8Very high76 Ų7642.3 Ų42.336%0.35521%0.21SC..Hα-helixtrans-55.8-46.9-169.8-64.571.5-158.700111.5K287E283-K287 PolarHBondContact O-N 2.86Å
284E95.3Very high97.8Very high113 Ų11344.6 Ų44.653%0.52822%0.224SC..Hα-helixtrans-67.5-36.3176.7-65.4-52.6134.400112.5Q282 K287 H288Q282-E284 VanDerWaalsContact C-N 3.34Å; Q282-E284 PolarHBondContact O-N 3.19Å; E284-K287 WeakPolarHBondContact O-CB 3.41Å; E284-K287 PolarHBondContact O-N 3.02Å; E284-K287 IonicContact OE1-NZ 2.85Å; E284-K287 PolarHBondContact OE1-NZ 2.99Å; E284-K287 IonicContact OE2-NZ 3.33Å; E284-K287 PolarHBondContact OE2-NZ 2.53Å; E284-H288 PolarHBondContact O-CD2 2.89Å
285K97.1Very high97.8Very high39 Ų3945.3 Ų45.317%0.1723%0.227CC..Hα-helixtrans-70.8-35.8-178.8-62.8-179.4-169.11630111.9G256 I257 F258 I263 Q282 K287 H288 C289 I292G256-K285 PolarHBondContact O-NZ 3.09Å; I257-K285 PolarHBondContact O-NZ 3.34Å; F258-K285 HydrophobicContact CB-CD 3.74Å; F258-K285 HydrophobicContact CD2-CD 3.78Å; F258-K285 HydrophobicContact CG-CD 4.28Å; I263-K285 HydrophobicContact CD1-CB 3.83Å; I263-K285 HydrophobicContact CD1-CD 4.22Å; I263-K285 HydrophobicContact CD1-CG 4.11Å; Q282-K285 WeakPolarHBondContact O-CA 3.45Å; Q282-K285 WeakPolarHBondContact O-CB 3.31Å; Q282-K285 PolarHBondContact O-N 2.89Å; K285-K287 VanDerWaalsContact C-N 3.3Å; K285-K287 PolarHBondContact O-N 2.87Å; K285-H288 CarbonylContact O-C 3.51Å; K285-H288 PolarHBondContact O-N 3.29Å; K285-H288 VanDerWaalsContact O-N 3.1Å; K285-C289 PolarHBondContact O-N 2.99Å; K285-I292 HydrophobicContact CB-CD1 4.09Å
286M97.9Very high97.7Very high80 Ų8048.2 Ų48.239%0.39424%0.242SC..Hα-helixtrans-63.2-35.2175.4-69.4171.972.400112.2Q282 H288 C289 I292 V294Q282-M286 HydrophobicContact CB-CG 4.42Å; Q282-M286 HydrophobicContact CB-SD 4.39Å; Q282-M286 WeakPolarHBondContact O-CG 3.09Å; Q282-M286 PolarHBondContact O-N 3.33Å; M286-H288 PolarHBondContact O-N 3.36Å; M286-C289 CarbonylContact O-C 3.52Å; M286-C289 PolarHBondContact O-N 2.81Å; M286-I292 HydrophobicContact CG-CB 4.06Å; M286-I292 HydrophobicContact CG-CG2 3.69Å; M286-V294 HydrophobicContact CE-CG2 4.22Å; M286-V294 HydrophobicContact CG-CG2 4.27Å; M286-V294 HydrophobicContact SD-CB 4.43Å; M286-V294 HydrophobicContact SD-CG2 3.37Å; M286-V294 WeakPolarHBondContact SD-CG2 3.3Å
287K97.7Very high97.7Very high143 Ų14348.1 Ų48.162%0.62224%0.242SC*.Hα-helixtrans-60.1-29.8173.8-63.7175.2-167.6168.70112.5E283 E284 K285E283-K287 PolarHBondContact O-N 2.86Å; E284-K287 WeakPolarHBondContact O-CB 3.41Å; E284-K287 PolarHBondContact O-N 3.02Å; E284-K287 IonicContact OE1-NZ 2.85Å; E284-K287 PolarHBondContact OE1-NZ 2.99Å; E284-K287 IonicContact OE2-NZ 3.33Å; E284-K287 PolarHBondContact OE2-NZ 2.53Å; K285-K287 VanDerWaalsContact C-N 3.3Å; K285-K287 PolarHBondContact O-N 2.87Å
288H97.6Very high97.7Very high126 Ų12648.1 Ų48.158%0.58324%0.242SC*.Hα-helixtrans-100.6-6-179-62-60.3000114I263 N267 E284 K285 M286I263-H288 HydrophobicContact CG2-CB 3.81Å; N267-H288 PolarHBondContact ND2-O 3.36Å; E284-H288 PolarHBondContact O-CD2 2.89Å; K285-H288 CarbonylContact O-C 3.51Å; K285-H288 PolarHBondContact O-N 3.29Å; K285-H288 VanDerWaalsContact O-N 3.1Å; M286-H288 PolarHBondContact O-N 3.36Å
289C97.8Very high97.6Very high0 Ų050.2 Ų50.20%025%0.252CS..  trans-145.5101.2-178.8-172.10000111.1I263 I266 N267 K285 M286 K291 I292I263-C289 HydrophobicContact CD1-CB 4.49Å; I263-C289 HydrophobicContact CG2-CB 4.08Å; I266-C289 WeakPolarHBondContact CG2-SG 3.25Å; N267-C289 WeakPolarHBondContact OD1-CA 3.49Å; N267-C289 PolarHBondContact OD1-SG 2.96Å; K285-C289 PolarHBondContact O-N 2.99Å; M286-C289 CarbonylContact O-C 3.52Å; M286-C289 PolarHBondContact O-N 2.81Å; C289-K291 PolarHBondContact O-N 3.22Å; C289-K291 VanDerWaalsContact O-N 3.15Å; C289-I292 HydrophobicContact CB-CD1 3.69Å; C289-I292 HydrophobicContact CB-CG1 3.9Å; C289-I292 PolarHBondContact O-N 3.08Å
290P97.4Very high97.5Very high120 Ų12050.6 Ų50.678%0.77925%0.254SS*.THydrogen-bonded Turntrans-69.3-12.1-178.629.3-35.8000113.4I292P290-I292 VanDerWaalsContact C-N 3.32Å
291K98.2Very high97.6Very high49 Ų4950.3 Ų50.321%0.21325%0.253CS..THydrogen-bonded Turntrans-79.2-15.1177.4-61.6-178.6180176.20113I266 N267 A269 F271 V274 C289I266-K291 HydrophobicContact CG2-CB 4.32Å; I266-K291 HydrophobicContact CG2-CD 4.43Å; I266-K291 PolarHBondContact O-NZ 2.93Å; N267-K291 PolarHBondContact O-NZ 3.17Å; A269-K291 PolarHBondContact O-NZ 2.64Å; F271-K291 HydrophobicContact CB-CD 4.44Å; F271-K291 WeakPolarHBondContact O-CD 3.33Å; F271-K291 WeakPolarHBondContact O-CE 3.14Å; V274-K291 PolarHBondContact N-O 3.21Å; C289-K291 PolarHBondContact O-N 3.22Å; C289-K291 VanDerWaalsContact O-N 3.15Å
292I98.7Very high97.6Very high7 Ų748.5 Ų48.54%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-77.8125.4-177.4-65.9175.3000110F258 I263 V274 V276 K285 M286 C289 P290 V294F258-I292 HydrophobicContact CD2-CD1 4.08Å; F258-I292 HydrophobicContact CE2-CD1 3.84Å; F258-I292 HydrophobicContact CE2-CG1 4.38Å; I263-I292 HydrophobicContact CD1-CD1 3.89Å; V274-I292 CarbonylContact O-C 3.59Å; V274-I292 VanDerWaalsContact O-CA 3.27Å; V274-I292 WeakPolarHBondContact O-CA 3.32Å; V276-I292 HydrophobicContact CG2-CG2 3.89Å; K285-I292 HydrophobicContact CB-CD1 4.09Å; M286-I292 HydrophobicContact CG-CB 4.06Å; M286-I292 HydrophobicContact CG-CG2 3.69Å; C289-I292 HydrophobicContact CB-CD1 3.69Å; C289-I292 HydrophobicContact CB-CG1 3.9Å; C289-I292 PolarHBondContact O-N 3.08Å; P290-I292 VanDerWaalsContact C-N 3.32Å; I292-V294 HydrophobicContact CG2-CG2 4.27Å
293Q98.5Very high97.6Very high77 Ų7749.8 Ų49.836%0.3625%0.247SC..EExtended strand (participates in β ladder)trans-118.2147.1169-59.1-170.920.200109.9W159 V274 V275 V276W159-Q293 VanDerWaalsContact CZ2-OE1 3.26Å; V274-Q293 PolarHBondContact O-N 3.46Å; V275-Q293 WeakPolarHBondContact CA-O 3.49Å; V275-Q293 HydrophobicContact CG2-CB 4.47Å; V276-Q293 PolarHBondContact N-O 3.06Å
294V98.5Very high97.7Very high52 Ų5246.1 Ų46.132%0.31523%0.23SC..EExtended strand (participates in β ladder)trans-121.1123.8-173.1-176.50000110.8V276 N278 Q282 M286 I292V276-V294 HydrophobicContact CG2-CG2 4.14Å; V276-V294 CarbonylContact O-C 3.53Å; V276-V294 VanDerWaalsContact O-CA 3.28Å; V276-V294 WeakPolarHBondContact O-CA 3.46Å; N278-V294 HydrophobicContact CB-CG1 3.77Å; Q282-V294 HydrophobicContact CB-CG2 3.76Å; Q282-V294 HydrophobicContact CG-CG2 4.05Å; M286-V294 HydrophobicContact CE-CG2 4.22Å; M286-V294 HydrophobicContact CG-CG2 4.27Å; M286-V294 HydrophobicContact SD-CB 4.43Å; M286-V294 HydrophobicContact SD-CG2 3.37Å; M286-V294 WeakPolarHBondContact SD-CG2 3.3Å; I292-V294 HydrophobicContact CG2-CG2 4.27Å
295I98.4Very high97.9Very high18 Ų1840.8 Ų40.89%0.09221%0.205CC..EExtended strand (participates in β ladder)trans-86.7120.9168.2-60.2174.7000107.8A155 V156 W159 V275 V276 T277 N278 I297A155-I295 HydrophobicContact CB-CG2 3.85Å; V156-I295 HydrophobicContact CG2-CD1 4.32Å; W159-I295 HydrophobicContact CB-CD1 3.83Å; W159-I295 HydrophobicContact CB-CG1 4.39Å; W159-I295 HydrophobicContact CG-CD1 4.02Å; W159-I295 HydrophobicContact CG-CG1 4.26Å; V275-I295 HydrophobicContact CG1-CD1 3.62Å; V275-I295 HydrophobicContact CG1-CG1 3.68Å; V276-I295 PolarHBondContact O-N 2.99Å; T277-I295 VanDerWaalsContact CA-O 3.28Å; T277-I295 WeakPolarHBondContact CA-O 3.32Å; T277-I295 HydrophobicContact CG2-CB 4.44Å; N278-I295 PolarHBondContact N-O 3.45Å; N278-I295 VanDerWaalsContact N-O 3.12Å; N278-I295 PolarHBondContact OD1-O 3.11Å; I295-I297 HydrophobicContact CG2-CG2 4.37Å; I295-I297 PolarHBondContact O-N 3.01Å
296D97.9Very high97.9Very high60 Ų6042.4 Ų42.432%0.32121%0.21SC..  trans-76.2118.2173.8179.623.9000110.9R27 N278 S298R27-D296 IonicContact CZ-OD2 3.68Å; R27-D296 IonicContact NH2-OD2 3.51Å; R27-D296 PolarHBondContact NH2-OD2 3.18Å; N278-D296 PolarHBondContact ND2-OD1 2.98Å; N278-D296 WeakPolarHBondContact OD1-CA 3.47Å; D296-S298 WeakPolarHBondContact OD1-CB 3.37Å; D296-S298 PolarHBondContact OD1-N 3.12Å; D296-S298 PolarHBondContact OD1-OG 2.96Å; D296-S298 PolarHBondContact OD2-OG 3.39Å
297I97.6Very high97.8Very high0 Ų040.3 Ų40.30%020%0.198CC..  trans-1034.8177.55852.2000113.4L20 M132 T277 N278 T279 I295 M299 I300 L301L20-I297 HydrophobicContact CD1-CD1 3.63Å; L20-I297 HydrophobicContact CD2-CD1 4.06Å; L20-I297 HydrophobicContact CG-CD1 4.49Å; M132-I297 HydrophobicContact CE-CB 3.96Å; M132-I297 HydrophobicContact CE-CG1 4.26Å; M132-I297 HydrophobicContact CE-CG2 4.29Å; M132-I297 HydrophobicContact SD-CB 4.06Å; M132-I297 HydrophobicContact SD-CG1 3.97Å; M132-I297 HydrophobicContact SD-CG2 3.99Å; T277-I297 HydrophobicContact CG2-CG2 3.69Å; N278-I297 WeakPolarHBondContact OD1-CD1 3.47Å; N278-I297 VanDerWaalsContact OD1-CG1 3.25Å; N278-I297 WeakPolarHBondContact OD1-CG1 3.36Å; N278-I297 PolarHBondContact OD1-N 3.25Å; T279-I297 HydrophobicContact CG2-CD1 4.24Å; T279-I297 HydrophobicContact CG2-CG1 3.87Å; I295-I297 HydrophobicContact CG2-CG2 4.37Å; I295-I297 PolarHBondContact O-N 3.01Å; I297-M299 PolarHBondContact O-N 3.3Å; I297-I300 HydrophobicContact CB-CD1 4.41Å; I297-I300 HydrophobicContact CG2-CD1 4.18Å; I297-I300 WeakPolarHBondContact O-CB 3.49Å; I297-I300 PolarHBondContact O-N 2.91Å; I297-L301 HydrophobicContact CD1-CD1 3.46Å; I297-L301 VanDerWaalsContact CD1-CD1 3.46Å; I297-L301 HydrophobicContact CD1-CG 4.06Å; I297-L301 PolarHBondContact O-N 3.46Å; I297-L301 VanDerWaalsContact O-N 3.07Å
298S97.8Very high97.8Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-59-32.8179.960.60000112.6R27 D296 L301 A302R27-S298 PolarHBondContact NE-OG 3.37Å; D296-S298 WeakPolarHBondContact OD1-CB 3.37Å; D296-S298 PolarHBondContact OD1-N 3.12Å; D296-S298 PolarHBondContact OD1-OG 2.96Å; D296-S298 PolarHBondContact OD2-OG 3.39Å; S298-L301 PolarHBondContact O-N 3.49Å; S298-A302 WeakPolarHBondContact O-CB 3.47Å; S298-A302 PolarHBondContact O-N 3.41Å
299M96.3Very high97.7Very high47 Ų4729.7 Ų29.723%0.23215%0.152CC..Hα-helixtrans-67.1-38.6175.6-168.958.3-178.500112.7R27 I297 E303 P322 L323R27-M299 HydrophobicContact CG-SD 4.39Å; I297-M299 PolarHBondContact O-N 3.3Å; M299-E303 VanDerWaalsContact O-CB 3.25Å; M299-E303 WeakPolarHBondContact O-CB 3.34Å; M299-E303 PolarHBondContact O-N 3.41Å; M299-P322 HydrophobicContact CE-CB 4.4Å; M299-P322 HydrophobicContact CG-CB 4.22Å; M299-P322 HydrophobicContact CG-CG 3.87Å; M299-L323 WeakPolarHBondContact CE-O 2.91Å
300I97.4Very high97.6Very high8 Ų832.7 Ų32.74%0.04117%0.168CC..Hα-helixtrans-66.6-44.9177.3-63167.1000109.7M132 L150 A155 I297 A304 P322M132-I300 HydrophobicContact CE-CB 4.28Å; M132-I300 HydrophobicContact CE-CG2 3.82Å; L150-I300 HydrophobicContact CD1-CG2 3.94Å; A155-I300 HydrophobicContact CB-CD1 4.17Å; I297-I300 HydrophobicContact CB-CD1 4.41Å; I297-I300 HydrophobicContact CG2-CD1 4.18Å; I297-I300 WeakPolarHBondContact O-CB 3.49Å; I297-I300 PolarHBondContact O-N 2.91Å; I300-A304 WeakPolarHBondContact O-CB 3.38Å; I300-A304 PolarHBondContact O-N 3.14Å; I300-P322 HydrophobicContact CG1-CG 4.15Å
301L98.1Very high97.4Very high0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-67.2-43.7177.9-69.7176.7000112.4L20 I24 V93 P95 I130 M132 L150 I297 S298 A304 I305L20-L301 HydrophobicContact CD1-CD1 4.31Å; L20-L301 HydrophobicContact CD2-CD1 3.94Å; L20-L301 HydrophobicContact CG-CD1 4.4Å; I24-L301 HydrophobicContact CD1-CB 3.77Å; I24-L301 HydrophobicContact CD1-CD1 3.71Å; I24-L301 HydrophobicContact CD1-CG 4.41Å; I24-L301 HydrophobicContact CG1-CB 4.04Å; V93-L301 HydrophobicContact CG1-CD2 4.13Å; P95-L301 HydrophobicContact CB-CD1 4.31Å; P95-L301 HydrophobicContact CG-CD1 3.89Å; I130-L301 HydrophobicContact CG2-CD2 4.26Å; M132-L301 HydrophobicContact CE-CD2 4.47Å; L150-L301 HydrophobicContact CD1-CD2 3.78Å; I297-L301 HydrophobicContact CD1-CD1 3.46Å; I297-L301 VanDerWaalsContact CD1-CD1 3.46Å; I297-L301 HydrophobicContact CD1-CG 4.06Å; I297-L301 PolarHBondContact O-N 3.46Å; I297-L301 VanDerWaalsContact O-N 3.07Å; S298-L301 PolarHBondContact O-N 3.49Å; L301-A304 PolarHBondContact O-N 3.05Å; L301-I305 VanDerWaalsContact O-CG1 3.27Å; L301-I305 WeakPolarHBondContact O-CG1 3.4Å; L301-I305 PolarHBondContact O-N 3.35Å
302A98.1Very high97.2Very high3 Ų331.5 Ų31.53%0.02517%0.172CC..Hα-helixtrans-59.5-47.517600000111.2I24 R27 L28 S298 A304 I305 R306I24-A302 HydrophobicContact CG2-CB 4.29Å; R27-A302 HydrophobicContact CB-CB 3.79Å; L28-A302 HydrophobicContact CD1-CB 4.38Å; L28-A302 HydrophobicContact CD2-CB 4.32Å; L28-A302 HydrophobicContact CG-CB 4.02Å; S298-A302 WeakPolarHBondContact O-CB 3.47Å; S298-A302 PolarHBondContact O-N 3.41Å; A302-A304 VanDerWaalsContact C-N 3.34Å; A302-A304 PolarHBondContact O-N 3.49Å; A302-I305 PolarHBondContact O-N 3.02Å; A302-R306 WeakPolarHBondContact O-CB 3.19Å; A302-R306 PolarHBondContact O-N 2.98Å
303E97.8Very high96.8Very high27 Ų2734.5 Ų34.513%0.12619%0.193CC..Hα-helixtrans-67.6-34.1179.4-176.959.6-170.500112.3M299 R306 R307 L317 P322M299-E303 VanDerWaalsContact O-CB 3.25Å; M299-E303 WeakPolarHBondContact O-CB 3.34Å; M299-E303 PolarHBondContact O-N 3.41Å; E303-R306 PolarHBondContact O-N 2.68Å; E303-R306 IonicContact OE1-CZ 3.76Å; E303-R306 IonicContact OE1-NE 3.88Å; E303-R306 IonicContact OE1-NH2 3.34Å; E303-R306 PolarHBondContact OE1-NH2 3.39Å; E303-R306 IonicContact OE2-CZ 3.09Å; E303-R306 IonicContact OE2-NE 2.76Å; E303-R306 PolarHBondContact OE2-NE 3.37Å; E303-R306 IonicContact OE2-NH2 2.73Å; E303-R307 WeakPolarHBondContact O-CB 3.22Å; E303-R307 VanDerWaalsContact O-CG 3.24Å; E303-R307 WeakPolarHBondContact O-CG 3.26Å; E303-R307 PolarHBondContact O-N 3.35Å; E303-R307 IonicContact OE1-CZ 3.53Å; E303-R307 VanDerWaalsContact OE1-CZ 3.22Å; E303-R307 IonicContact OE1-NE 3.58Å; E303-R307 PolarHBondContact OE1-NE 3.28Å; E303-R307 IonicContact OE1-NH2 2.75Å; E303-R307 PolarHBondContact OE1-NH2 3Å; E303-L317 HydrophobicContact CB-CD1 4.22Å; E303-L317 HydrophobicContact CB-CD2 4.23Å; E303-L317 HydrophobicContact CG-CD1 4.06Å; E303-L317 HydrophobicContact CG-CD2 3.66Å; E303-L317 HydrophobicContact CG-CG 4.36Å; E303-P322 HydrophobicContact CB-CB 4.27Å; E303-P322 HydrophobicContact CB-CG 4.27Å; E303-P322 HydrophobicContact CG-CB 4.12Å
304A97.9Very high96.6Very high0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-61.9-50.3171.600000111I130 L150 I300 L301 A302 R306 R307 T308 V314 L317I130-A304 HydrophobicContact CG2-CB 4.31Å; L150-A304 HydrophobicContact CD1-CB 3.65Å; L150-A304 HydrophobicContact CD2-CB 4.06Å; L150-A304 HydrophobicContact CG-CB 4.49Å; I300-A304 WeakPolarHBondContact O-CB 3.38Å; I300-A304 PolarHBondContact O-N 3.14Å; L301-A304 PolarHBondContact O-N 3.05Å; A302-A304 VanDerWaalsContact C-N 3.34Å; A302-A304 PolarHBondContact O-N 3.49Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 3.5Å; A304-R307 PolarHBondContact O-N 2.88Å; A304-T308 WeakPolarHBondContact O-CB 3.38Å; A304-T308 PolarHBondContact O-N 3.04Å; A304-T308 PolarHBondContact O-OG1 2.8Å; A304-V314 HydrophobicContact CB-CG1 4.42Å; A304-L317 HydrophobicContact CB-CD1 3.89Å
305I98.2Very high96Very high0 Ų032.2 Ų32.20%019%0.187CC..Hα-helixtrans-56.5-46.7176.3-70.1165.7000111.1I9 I24 L28 Y59 V93 I130 L301 A302 R307 T308 H309I9-I305 HydrophobicContact CD1-CG2 3.49Å; I9-I305 VanDerWaalsContact CD1-CG2 3.49Å; I24-I305 HydrophobicContact CG2-CD1 3.6Å; L28-I305 HydrophobicContact CD1-CB 4.2Å; L28-I305 HydrophobicContact CD1-CG2 3.77Å; Y59-I305 HydrophobicContact CD1-CB 4.28Å; Y59-I305 HydrophobicContact CD1-CD1 4.44Å; Y59-I305 HydrophobicContact CD1-CG1 3.79Å; Y59-I305 HydrophobicContact CD1-CG2 3.81Å; Y59-I305 HydrophobicContact CD2-CG2 3.99Å; Y59-I305 HydrophobicContact CE1-CB 4.25Å; Y59-I305 HydrophobicContact CE1-CG1 4.15Å; Y59-I305 HydrophobicContact CE1-CG2 3.81Å; Y59-I305 HydrophobicContact CE2-CG2 4.02Å; Y59-I305 HydrophobicContact CG-CG1 4.4Å; Y59-I305 HydrophobicContact CG-CG2 3.91Å; V93-I305 HydrophobicContact CG2-CD1 4.07Å; V93-I305 HydrophobicContact CG2-CG1 4.17Å; I130-I305 HydrophobicContact CD1-CG1 4.02Å; L301-I305 VanDerWaalsContact O-CG1 3.27Å; L301-I305 WeakPolarHBondContact O-CG1 3.4Å; L301-I305 PolarHBondContact O-N 3.35Å; A302-I305 PolarHBondContact O-N 3.02Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.31Å; I305-T308 PolarHBondContact O-N 3.46Å; I305-H309 WeakPolarHBondContact O-CB 3.37Å; I305-H309 PolarHBondContact O-N 3.19Å
306R97.4Very high95.3Very high73 Ų7336.3 Ų36.328%0.27520%0.203SC..Hα-helixtrans-58-45.1178.4-165-16967.368.44.1111.5L28 A302 E303 A304 H309 N310 E312L28-R306 HydrophobicContact CD2-CB 3.89Å; L28-R306 HydrophobicContact CD2-CG 4.33Å; A302-R306 WeakPolarHBondContact O-CB 3.19Å; A302-R306 PolarHBondContact O-N 2.98Å; E303-R306 PolarHBondContact O-N 2.68Å; E303-R306 IonicContact OE1-CZ 3.76Å; E303-R306 IonicContact OE1-NE 3.88Å; E303-R306 IonicContact OE1-NH2 3.34Å; E303-R306 PolarHBondContact OE1-NH2 3.39Å; E303-R306 IonicContact OE2-CZ 3.09Å; E303-R306 IonicContact OE2-NE 2.76Å; E303-R306 PolarHBondContact OE2-NE 3.37Å; E303-R306 IonicContact OE2-NH2 2.73Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 3.5Å; R306-H309 PolarHBondContact O-N 3.3Å; R306-N310 PolarHBondContact NH1-ND2 3.11Å; R306-N310 VanDerWaalsContact NH1-ND2 3.16Å; R306-N310 WeakPolarHBondContact O-CB 3.45Å; R306-N310 PolarHBondContact O-N 2.89Å; R306-E312 IonicContact CZ-OE1 3.51Å; R306-E312 IonicContact CZ-OE2 3.32Å; R306-E312 VanDerWaalsContact NH1-CD 3.3Å; R306-E312 IonicContact NH1-OE1 2.69Å; R306-E312 PolarHBondContact NH1-OE1 3Å; R306-E312 IonicContact NH1-OE2 3.94Å; R306-E312 PolarHBondContact NH1-OE2 3.34Å; R306-E312 VanDerWaalsContact NH1-OE2 3.09Å; R306-E312 IonicContact NH2-OE1 3.15Å; R306-E312 IonicContact NH2-OE2 3.99Å; R306-E312 PolarHBondContact NH2-OE2 3.5Å
307R96.8Very high94.8Very high37 Ų3733.7 Ų33.714%0.1419%0.189CC..Hα-helixtrans-69.1-44.1179.9-72.2172.3177.7-86.9-15112.1E303 A304 I305 H309 N310 G311 E312 S313 V314E303-R307 WeakPolarHBondContact O-CB 3.22Å; E303-R307 VanDerWaalsContact O-CG 3.24Å; E303-R307 WeakPolarHBondContact O-CG 3.26Å; E303-R307 PolarHBondContact O-N 3.35Å; E303-R307 IonicContact OE1-CZ 3.53Å; E303-R307 VanDerWaalsContact OE1-CZ 3.22Å; E303-R307 IonicContact OE1-NE 3.58Å; E303-R307 PolarHBondContact OE1-NE 3.28Å; E303-R307 IonicContact OE1-NH2 2.75Å; E303-R307 PolarHBondContact OE1-NH2 3Å; A304-R307 PolarHBondContact O-N 2.88Å; I305-R307 VanDerWaalsContact C-N 3.32Å; I305-R307 PolarHBondContact O-N 3.31Å; R307-H309 VanDerWaalsContact C-N 3.26Å; R307-H309 PolarHBondContact O-N 3.5Å; R307-N310 PolarHBondContact O-N 2.91Å; R307-G311 PolarHBondContact O-N 2.87Å; R307-E312 HydrophobicContact CB-CB 3.95Å; R307-E312 HydrophobicContact CG-CB 3.89Å; R307-E312 PolarHBondContact O-N 3.49Å; R307-S313 WeakPolarHBondContact CD-O 3.41Å; R307-S313 PolarHBondContact NH1-O 2.89Å; R307-V314 HydrophobicContact CB-CG2 3.84Å
308T96.9Very high94.1Very high14 Ų1436.5 Ų36.59%0.08620%0.201CC..Hα-helixtrans-59.9-37.3175.1-56.70000111.8Y59 R89 A304 I305Y59-T308 HydrophobicContact CE1-CG2 4.3Å; R89-T308 PolarHBondContact NH2-O 3.42Å; A304-T308 WeakPolarHBondContact O-CB 3.38Å; A304-T308 PolarHBondContact O-N 3.04Å; A304-T308 PolarHBondContact O-OG1 2.8Å; I305-T308 PolarHBondContact O-N 3.46Å
309H96.5Very high93.2Very high32 Ų3239.5 Ų39.515%0.14822%0.222CC..Hα-helixtrans-67.9-47175.6-174.567.1000112.2P7 D57 Y59 I305 R306 R307 G311P7-H309 PolarHBondContact O-CE1 2.98Å; P7-H309 PolarHBondContact O-NE2 3.46Å; D57-H309 IonicContact OD2-CE1 2.72Å; D57-H309 IonicContact OD2-CG 3.4Å; D57-H309 IonicContact OD2-ND1 3.53Å; D57-H309 PolarHBondContact OD2-ND1 3.37Å; Y59-H309 PolarHBondContact OH-N 3.18Å; I305-H309 WeakPolarHBondContact O-CB 3.37Å; I305-H309 PolarHBondContact O-N 3.19Å; R306-H309 PolarHBondContact O-N 3.3Å; R307-H309 VanDerWaalsContact C-N 3.26Å; R307-H309 PolarHBondContact O-N 3.5Å; H309-G311 VanDerWaalsContact C-N 3.33Å; H309-G311 PolarHBondContact O-N 3.44Å
310N94.8Very high92.5Very high62 Ų6241.7 Ų41.733%0.33223%0.231SC..Hα-helixtrans-81.8-6.7-176.1-70.5-14.9000114.5R306 R307 E312R306-N310 PolarHBondContact NH1-ND2 3.11Å; R306-N310 VanDerWaalsContact NH1-ND2 3.16Å; R306-N310 WeakPolarHBondContact O-CB 3.45Å; R306-N310 PolarHBondContact O-N 2.89Å; R307-N310 PolarHBondContact O-N 2.91Å; N310-E312 VanDerWaalsContact C-N 3.3Å; N310-E312 HydrophobicContact CB-CG 3.86Å; N310-E312 VanDerWaalsContact CB-OE1 3.32Å; N310-E312 WeakPolarHBondContact CB-OE1 3.48Å; N310-E312 PolarHBondContact ND2-OE1 3.21Å
311G92.8Very high91.4Very high72 Ų7243.6 Ų43.674%0.74224%0.243SC*.THydrogen-bonded Turntrans70.226.7-172.500000113.4R307 H309R307-G311 PolarHBondContact O-N 2.87Å; H309-G311 VanDerWaalsContact C-N 3.33Å; H309-G311 PolarHBondContact O-N 3.44Å
312E93.9Very high90.3Very high73 Ų7344.2 Ų44.234%0.34125%0.247SC..  trans-87159.3176.3-65.2170.7-145.300111.1R306 R307 N310 V314R306-E312 IonicContact CZ-OE1 3.51Å; R306-E312 IonicContact CZ-OE2 3.32Å; R306-E312 VanDerWaalsContact NH1-CD 3.3Å; R306-E312 IonicContact NH1-OE1 2.69Å; R306-E312 PolarHBondContact NH1-OE1 3Å; R306-E312 IonicContact NH1-OE2 3.94Å; R306-E312 PolarHBondContact NH1-OE2 3.34Å; R306-E312 VanDerWaalsContact NH1-OE2 3.09Å; R306-E312 IonicContact NH2-OE1 3.15Å; R306-E312 IonicContact NH2-OE2 3.99Å; R306-E312 PolarHBondContact NH2-OE2 3.5Å; R307-E312 HydrophobicContact CB-CB 3.95Å; R307-E312 HydrophobicContact CG-CB 3.89Å; R307-E312 PolarHBondContact O-N 3.49Å; N310-E312 VanDerWaalsContact C-N 3.3Å; N310-E312 HydrophobicContact CB-CG 3.86Å; N310-E312 VanDerWaalsContact CB-OE1 3.32Å; N310-E312 WeakPolarHBondContact CB-OE1 3.48Å; N310-E312 PolarHBondContact ND2-OE1 3.21Å; E312-V314 PolarHBondContact O-N 3.28Å
313S91.6Very high88.5Confident69 Ų6954.5 Ų54.548%0.48330%0.301SS..  trans-68.2116.3179.4169.70000111.8R307 S315R307-S313 WeakPolarHBondContact CD-O 3.41Å; R307-S313 PolarHBondContact NH1-O 2.89Å; S313-S315 PolarHBondContact OG-OG 2.95Å
314V92.9Very high88Confident14 Ų1455.9 Ų55.99%0.08531%0.31CS..G310 helixtrans-75.3-25.3173.9179.20000112D148 L150 A304 R307 E312 Y316 L317 F318D148-V314 HydrophobicContact CB-CG1 4.4Å; L150-V314 HydrophobicContact CD2-CG1 3.76Å; A304-V314 HydrophobicContact CB-CG1 4.42Å; R307-V314 HydrophobicContact CB-CG2 3.84Å; E312-V314 PolarHBondContact O-N 3.28Å; V314-Y316 PolarHBondContact O-N 3.06Å; V314-L317 HydrophobicContact CG1-CD1 4.37Å; V314-L317 WeakPolarHBondContact O-CB 2.88Å; V314-L317 PolarHBondContact O-N 2.71Å; V314-F318 HydrophobicContact CG1-CE1 4.45Å
315S86.2Confident87.5Confident67 Ų6758.8 Ų58.847%0.46933%0.326SS..G310 helixtrans-61.4-18.6-175.460.70000114.6S313 L317 F318S313-S315 PolarHBondContact OG-OG 2.95Å; S315-L317 PolarHBondContact O-N 2.78Å; S315-F318 WeakPolarHBondContact O-CB 3.35Å; S315-F318 PolarHBondContact O-N 2.66Å
316Y84.4Confident86.9Confident105 Ų10562.1 Ų62.141%0.41234%0.344SS..G310 helixtrans-54.8-37.5170.6176.5-101.9000112.2V314 F318 S319 H320V314-Y316 PolarHBondContact O-N 3.06Å; Y316-F318 PolarHBondContact O-N 3.4Å; Y316-S319 PolarHBondContact O-N 3.36Å; Y316-H320 HydrophobicContact CD1-CB 4.43Å; Y316-H320 HydrophobicContact CE1-CB 3.87Å; Y316-H320 HydrophobicContact CE2-CB 4Å; Y316-H320 AromaticContact CE2-CG 3.73Å; Y316-H320 AromaticContact CE2-ND1 3.84Å; Y316-H320 AromaticContact CZ-CG 3.82Å; Y316-H320 PolarHBondContact O-N 3.49Å
317L86.5Confident86.3Confident5 Ų561.5 Ų61.53%0.02635%0.348CS..G310 helixtrans-71.5-14.7-177.5-60.1176.7000113.7E303 A304 V314 S315 S319 P322E303-L317 HydrophobicContact CB-CD1 4.22Å; E303-L317 HydrophobicContact CB-CD2 4.23Å; E303-L317 HydrophobicContact CG-CD1 4.06Å; E303-L317 HydrophobicContact CG-CD2 3.66Å; E303-L317 HydrophobicContact CG-CG 4.36Å; A304-L317 HydrophobicContact CB-CD1 3.89Å; V314-L317 HydrophobicContact CG1-CD1 4.37Å; V314-L317 WeakPolarHBondContact O-CB 2.88Å; V314-L317 PolarHBondContact O-N 2.71Å; S315-L317 PolarHBondContact O-N 2.78Å; L317-S319 PolarHBondContact O-N 3.3Å; L317-P322 HydrophobicContact CD2-CB 4.11Å; L317-P322 HydrophobicContact CD2-CG 3.91Å
318F83.8Confident85.6Confident59 Ų5963 Ų6326%0.25936%0.361SS..G310 helixtrans-74.7-16.7180-58-18.8000112.9N149 L150 Y151 V314 S315 Y316N149-F318 WeakPolarHBondContact O-CE1 3.36Å; L150-F318 HydrophobicContact CD2-CE1 3.8Å; Y151-F318 HydrophobicContact CD2-CB 4.01Å; Y151-F318 AromaticContact CD2-CD1 3.77Å; Y151-F318 HydrophobicContact CD2-CD1 3.77Å; Y151-F318 HydrophobicContact CD2-CE1 4.42Å; Y151-F318 AromaticContact CD2-CG 3.91Å; Y151-F318 HydrophobicContact CD2-CG 3.91Å; Y151-F318 HydrophobicContact CE2-CB 4.4Å; Y151-F318 HydrophobicContact CE2-CD1 4.09Å; Y151-F318 HydrophobicContact CE2-CD2 4.33Å; Y151-F318 HydrophobicContact CE2-CE1 4.45Å; Y151-F318 HydrophobicContact CE2-CG 4.03Å; V314-F318 HydrophobicContact CG1-CE1 4.45Å; S315-F318 WeakPolarHBondContact O-CB 3.35Å; S315-F318 PolarHBondContact O-N 2.66Å; Y316-F318 PolarHBondContact O-N 3.4Å
319S79.9Confident84.9Confident63 Ų6366.3 Ų66.344%0.44138%0.379SS..THydrogen-bonded Turntrans-125.8-16-178.952.30000114Y316 L317Y316-S319 PolarHBondContact O-N 3.36Å; L317-S319 PolarHBondContact O-N 3.3Å
320H79.7Confident84Confident92 Ų9268.7 Ų68.743%0.42640%0.396SS..  trans-126.9133.3-176.4-61.576.2000111Y316Y316-H320 HydrophobicContact CD1-CB 4.43Å; Y316-H320 HydrophobicContact CE1-CB 3.87Å; Y316-H320 HydrophobicContact CE2-CB 4Å; Y316-H320 AromaticContact CE2-CG 3.73Å; Y316-H320 AromaticContact CE2-ND1 3.84Å; Y316-H320 AromaticContact CZ-CG 3.82Å; Y316-H320 PolarHBondContact O-N 3.49Å
321V74.8Confident83.2Confident48 Ų4869.2 Ų69.229%0.29140%0.401SS..  trans-75.4123.1167.5-1750000107.5P154 A155P154-V321 HydrophobicContact CB-CG2 3.5Å; P154-V321 VanDerWaalsContact O-CG2 3.27Å; P154-V321 WeakPolarHBondContact O-CG2 3.25Å; A155-V321 HydrophobicContact CB-CG2 4.36Å
322P74.8Confident82.4Confident14 Ų1469 Ų699%0.09137%0.372CS..  trans-61.5140.9173.825.7-32.2000110.2M299 I300 E303 L317M299-P322 HydrophobicContact CE-CB 4.4Å; M299-P322 HydrophobicContact CG-CB 4.22Å; M299-P322 HydrophobicContact CG-CG 3.87Å; I300-P322 HydrophobicContact CG1-CG 4.15Å; E303-P322 HydrophobicContact CB-CB 4.27Å; E303-P322 HydrophobicContact CB-CG 4.27Å; E303-P322 HydrophobicContact CG-CB 4.12Å; L317-P322 HydrophobicContact CD2-CB 4.11Å; L317-P322 HydrophobicContact CD2-CG 3.91Å
323L60.3Low81.4Confident219 Ų21968.6 Ų68.6100%1.14738%0.375SS*.  trans-71.70177.7-72.4170000111.1M299M299-L323 WeakPolarHBondContact CE-O 2.91Å

Retrieved 323 of 323 residues in 60.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).