A0A077Z551_TRITR Loading...

NOL1/NOP2/Sun domain family member 4

AlphaFold DB , UniProt , Accession A0A077Z551, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.5Low86Confident144 Ų14481.8 Ų81.871%0.70941%0.406SS*.  0-37.30-65.6-171.8-15600113.2P5 F101 Q103M1-P5 WeakPolarHBondContact O-CD 3.33Å; M1-F101 HydrophobicContact CB-CD1 4.13Å; M1-Q103 PolarHBondContact O-NE2 3.38Å
2C73.1Confident86.6Confident32 Ų3282.3 Ų82.322%0.21642%0.42CS..  trans-71.3-45.9-175.2-121.10000115.5P5 F101C2-P5 WeakPolarHBondContact O-CD 3.17Å; C2-F101 HydrophobicContact CB-CE1 3.68Å; C2-F101 HydrophobicContact CB-CZ 3.8Å; C2-F101 WeakPolarHBondContact SG-CE1 3.43Å; C2-F101 WeakPolarHBondContact SG-CZ 3.44Å
3Y87.6Confident87.2Confident29 Ų2980.5 Ų80.511%0.11442%0.419CS..SBendtrans-95.9-13.1-168.7-63.1-27.3000114.6V6 Y7 W11 D280 T329 L330Y3-V6 PolarHBondContact O-N 3.43Å; Y3-Y7 HydrophobicContact CD1-CE2 4.46Å; Y3-Y7 HydrophobicContact CG-CE2 4.38Å; Y3-Y7 WeakPolarHBondContact O-CD2 3.49Å; Y3-Y7 PolarHBondContact O-N 2.74Å; Y3-W11 VanDerWaalsContact CB-CE3 3.48Å; Y3-W11 VanDerWaalsContact CB-CZ3 3.46Å; Y3-W11 HydrophobicContact CD2-CE3 4.42Å; Y3-W11 AromaticContact CD2-CH2 3.55Å; Y3-W11 HydrophobicContact CD2-CH2 3.55Å; Y3-W11 HydrophobicContact CD2-CZ2 4.43Å; Y3-W11 AromaticContact CD2-CZ3 3.54Å; Y3-W11 HydrophobicContact CD2-CZ3 3.54Å; Y3-W11 HydrophobicContact CG-CE3 4.45Å; Y3-W11 HydrophobicContact CG-CH2 4.18Å; Y3-W11 AromaticContact CG-CZ3 3.98Å; Y3-W11 HydrophobicContact CG-CZ3 3.98Å; Y3-D280 WeakPolarHBondContact CE2-OD2 3.26Å; Y3-D280 PolarHBondContact OH-OD1 3.23Å; Y3-D280 PolarHBondContact OH-OD2 3.15Å; Y3-T329 PolarHBondContact OH-OG1 3.33Å; Y3-L330 HydrophobicContact CD1-CB 4.45Å; Y3-L330 HydrophobicContact CD2-CB 4.12Å; Y3-L330 HydrophobicContact CD2-CD1 4.02Å; Y3-L330 HydrophobicContact CE1-CB 4.22Å; Y3-L330 HydrophobicContact CE2-CB 3.82Å; Y3-L330 HydrophobicContact CE2-CD1 4.14Å; Y3-L330 HydrophobicContact CG-CB 4.43Å
4T87.6Confident87.7Confident64 Ų6474.8 Ų74.839%0.39339%0.389SS..Hα-helixtrans-59.1-44.3177.4-45.70000113V6 K8 W11T4-V6 VanDerWaalsContact C-N 3.29Å; T4-V6 PolarHBondContact O-N 2.91Å; T4-K8 VanDerWaalsContact O-CA 3.27Å; T4-K8 WeakPolarHBondContact O-CA 3.43Å; T4-K8 PolarHBondContact O-N 3.06Å; T4-W11 PolarHBondContact OG1-NE1 3.35Å
5P88.2Confident88.1Confident80 Ų8079 Ų7952%0.51940%0.398SS..Hα-helixtrans-65.2-31.5176.7-21.334.5000113.6M1 C2M1-P5 WeakPolarHBondContact O-CD 3.33Å; C2-P5 WeakPolarHBondContact O-CD 3.17Å
6V87.8Confident88.4Confident50 Ų5080.1 Ų80.130%0.30341%0.405SS..Hα-helixtrans-77.8-53.8-176.9-179.20000110.9Y3 T4 P332Y3-V6 PolarHBondContact O-N 3.43Å; T4-V6 VanDerWaalsContact C-N 3.29Å; T4-V6 PolarHBondContact O-N 2.91Å; V6-P332 HydrophobicContact CB-CG 4.46Å; V6-P332 HydrophobicContact CG1-CG 3.69Å; V6-P332 HydrophobicContact CG2-CG 3.91Å
7Y91.4Very high88.7Confident8 Ų875.4 Ų75.43%0.03138%0.381CS..Hα-helixtrans-95.1-4.9-172.6-62.1-82.2000113.7Y3 E9 K10 I14 L330 H373 I382Y3-Y7 HydrophobicContact CD1-CE2 4.46Å; Y3-Y7 HydrophobicContact CG-CE2 4.38Å; Y3-Y7 WeakPolarHBondContact O-CD2 3.49Å; Y3-Y7 PolarHBondContact O-N 2.74Å; Y7-E9 PolarHBondContact O-N 3.47Å; Y7-K10 WeakPolarHBondContact O-CB 3.36Å; Y7-K10 PolarHBondContact O-N 3.03Å; Y7-I14 HydrophobicContact CD1-CD1 3.47Å; Y7-I14 VanDerWaalsContact CD1-CD1 3.47Å; Y7-I14 HydrophobicContact CD2-CD1 4.47Å; Y7-I14 HydrophobicContact CE1-CD1 4.18Å; Y7-I14 HydrophobicContact CG-CD1 3.64Å; Y7-L330 HydrophobicContact CE1-CD2 4.31Å; Y7-L330 HydrophobicContact CE2-CB 3.82Å; Y7-L330 HydrophobicContact CE2-CD1 4.48Å; Y7-L330 HydrophobicContact CE2-CD2 4.34Å; Y7-L330 HydrophobicContact CE2-CG 4.45Å; Y7-L330 WeakPolarHBondContact OH-CA 3.25Å; Y7-L330 WeakPolarHBondContact OH-CB 3.31Å; Y7-L330 WeakPolarHBondContact OH-CD2 3.45Å; Y7-L330 PolarHBondContact OH-O 2.78Å; Y7-H373 AromaticContact CD1-CE1 3.91Å; Y7-H373 AromaticContact CD1-CG 3.95Å; Y7-H373 AromaticContact CD1-ND1 3.81Å; Y7-H373 HydrophobicContact CE1-CB 4.11Å; Y7-H373 AromaticContact CE1-CD2 3.66Å; Y7-H373 AromaticContact CE1-CG 3.69Å; Y7-H373 AromaticContact CE1-NE2 3.98Å; Y7-I382 HydrophobicContact CD1-CG2 4.34Å; Y7-I382 HydrophobicContact CE1-CG2 3.81Å
8K92.5Very high88.9Confident157 Ų15772.5 Ų72.568%0.68337%0.367SS*.G310 helixtrans47.5-124.2174.7-57.2179.2-178177.40111.2T4 K10 W11T4-K8 VanDerWaalsContact O-CA 3.27Å; T4-K8 WeakPolarHBondContact O-CA 3.43Å; T4-K8 PolarHBondContact O-N 3.06Å; K8-K10 PolarHBondContact O-N 2.82Å; K8-W11 VanDerWaalsContact O-CB 3.3Å; K8-W11 WeakPolarHBondContact O-CB 3.45Å; K8-W11 PolarHBondContact O-N 3.05Å; K8-W11 VanDerWaalsContact O-N 3.1Å
9E93Very high88.9Confident188 Ų18874.9 Ų74.988%0.87938%0.38SS*.G310 helixtrans-63.2-21.6-178.7-60.8178.3176.900114Y7 W11 P12Y7-E9 PolarHBondContact O-N 3.47Å; E9-W11 VanDerWaalsContact C-N 3.32Å; E9-P12 WeakPolarHBondContact O-CD 3.1Å
10K92.2Very high89.1Confident111 Ų11173.4 Ų73.448%0.48338%0.377SS..G310 helixtrans-76.5-21176.5-59.9-178.3177.3-178.50112.3Y7 K8 S13 I14 I382Y7-K10 WeakPolarHBondContact O-CB 3.36Å; Y7-K10 PolarHBondContact O-N 3.03Å; K8-K10 PolarHBondContact O-N 2.82Å; K10-S13 PolarHBondContact O-N 3.01Å; K10-I14 HydrophobicContact CB-CD1 4.03Å; K10-I14 WeakPolarHBondContact O-CG1 3.16Å; K10-I14 PolarHBondContact O-N 2.92Å; K10-I14 VanDerWaalsContact O-N 3.1Å; K10-I382 HydrophobicContact CD-CD1 4.46Å
11W94.5Very high89.1Confident37 Ų3777 Ų7714%0.1440%0.397CS..Hα-helixtrans-56.4-43.6-172.4174.1-117.4000114.4Y3 T4 K8 E9 S13 I14 R15 L18 L330Y3-W11 VanDerWaalsContact CB-CE3 3.48Å; Y3-W11 VanDerWaalsContact CB-CZ3 3.46Å; Y3-W11 HydrophobicContact CD2-CE3 4.42Å; Y3-W11 AromaticContact CD2-CH2 3.55Å; Y3-W11 HydrophobicContact CD2-CH2 3.55Å; Y3-W11 HydrophobicContact CD2-CZ2 4.43Å; Y3-W11 AromaticContact CD2-CZ3 3.54Å; Y3-W11 HydrophobicContact CD2-CZ3 3.54Å; Y3-W11 HydrophobicContact CG-CE3 4.45Å; Y3-W11 HydrophobicContact CG-CH2 4.18Å; Y3-W11 AromaticContact CG-CZ3 3.98Å; Y3-W11 HydrophobicContact CG-CZ3 3.98Å; T4-W11 PolarHBondContact OG1-NE1 3.35Å; K8-W11 VanDerWaalsContact O-CB 3.3Å; K8-W11 WeakPolarHBondContact O-CB 3.45Å; K8-W11 PolarHBondContact O-N 3.05Å; K8-W11 VanDerWaalsContact O-N 3.1Å; E9-W11 VanDerWaalsContact C-N 3.32Å; W11-S13 VanDerWaalsContact C-N 3.32Å; W11-S13 PolarHBondContact O-N 3.35Å; W11-I14 HydrophobicContact CE3-CB 4.14Å; W11-I14 HydrophobicContact CE3-CG2 4.11Å; W11-I14 HydrophobicContact CZ3-CB 4.38Å; W11-I14 HydrophobicContact CZ3-CG2 3.91Å; W11-I14 PolarHBondContact O-N 3.37Å; W11-R15 HydrophobicContact CD2-CB 4.29Å; W11-R15 HydrophobicContact CE3-CB 4.45Å; W11-R15 HydrophobicContact CH2-CB 3.95Å; W11-R15 HydrophobicContact CH2-CG 4.22Å; W11-R15 HydrophobicContact CZ2-CB 3.8Å; W11-R15 HydrophobicContact CZ2-CG 3.88Å; W11-R15 HydrophobicContact CZ3-CB 4.27Å; W11-R15 VanDerWaalsContact O-CB 3.27Å; W11-R15 WeakPolarHBondContact O-CB 3.07Å; W11-R15 PolarHBondContact O-N 3.03Å; W11-L18 HydrophobicContact CH2-CD1 4.08Å; W11-L18 HydrophobicContact CZ3-CD1 4.11Å; W11-L330 HydrophobicContact CZ3-CD1 4.17Å
12P93.8Very high90.6Very high87 Ų8771.7 Ų71.757%0.56537%0.373SS*.Hα-helixtrans-57.1-42.5177.5-26.436.4000113.5E9 R15 L16E9-P12 WeakPolarHBondContact O-CD 3.1Å; P12-R15 PolarHBondContact O-N 3Å; P12-L16 WeakPolarHBondContact O-CB 3.15Å; P12-L16 PolarHBondContact O-N 3.45Å
13S94.1Very high91.5Very high59 Ų5971.2 Ų71.241%0.41337%0.367SS..Hα-helixtrans-67-44.5177.6-176.50000111.8K10 W11 R15 L16 G17K10-S13 PolarHBondContact O-N 3.01Å; W11-S13 VanDerWaalsContact C-N 3.32Å; W11-S13 PolarHBondContact O-N 3.35Å; S13-R15 VanDerWaalsContact C-N 3.33Å; S13-R15 PolarHBondContact O-N 3.16Å; S13-L16 PolarHBondContact O-N 2.99Å; S13-G17 PolarHBondContact O-N 2.57Å
14I94.4Very high91.8Very high1 Ų175.3 Ų75.31%0.00538%0.383CS..Hα-helixtrans-61.2-45.1177.3-64.8171.6000110.4Y7 K10 W11 L16 G17 L18 L330 I382Y7-I14 HydrophobicContact CD1-CD1 3.47Å; Y7-I14 VanDerWaalsContact CD1-CD1 3.47Å; Y7-I14 HydrophobicContact CD2-CD1 4.47Å; Y7-I14 HydrophobicContact CE1-CD1 4.18Å; Y7-I14 HydrophobicContact CG-CD1 3.64Å; K10-I14 HydrophobicContact CB-CD1 4.03Å; K10-I14 WeakPolarHBondContact O-CG1 3.16Å; K10-I14 PolarHBondContact O-N 2.92Å; K10-I14 VanDerWaalsContact O-N 3.1Å; W11-I14 HydrophobicContact CE3-CB 4.14Å; W11-I14 HydrophobicContact CE3-CG2 4.11Å; W11-I14 HydrophobicContact CZ3-CB 4.38Å; W11-I14 HydrophobicContact CZ3-CG2 3.91Å; W11-I14 PolarHBondContact O-N 3.37Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.16Å; I14-G17 PolarHBondContact O-N 2.84Å; I14-L18 HydrophobicContact CG2-CD1 4.31Å; I14-L18 WeakPolarHBondContact O-CG 3.06Å; I14-L18 PolarHBondContact O-N 2.86Å; I14-L330 HydrophobicContact CG2-CD1 3.49Å; I14-L330 VanDerWaalsContact CG2-CD1 3.49Å; I14-I382 HydrophobicContact CD1-CB 4.03Å; I14-I382 HydrophobicContact CD1-CD1 3.88Å; I14-I382 HydrophobicContact CD1-CG2 4Å; I14-I382 HydrophobicContact CG1-CB 4.1Å; I14-I382 HydrophobicContact CG1-CD1 4.08Å
15R93.3Very high92.1Very high138 Ų13872.2 Ų72.252%0.52136%0.364SS..Hα-helixtrans-61.4-41.2177.6-174.2177.1-178.7-94.8-2.4111.6W11 P12 S13 L18 L19W11-R15 HydrophobicContact CD2-CB 4.29Å; W11-R15 HydrophobicContact CE3-CB 4.45Å; W11-R15 HydrophobicContact CH2-CB 3.95Å; W11-R15 HydrophobicContact CH2-CG 4.22Å; W11-R15 HydrophobicContact CZ2-CB 3.8Å; W11-R15 HydrophobicContact CZ2-CG 3.88Å; W11-R15 HydrophobicContact CZ3-CB 4.27Å; W11-R15 VanDerWaalsContact O-CB 3.27Å; W11-R15 WeakPolarHBondContact O-CB 3.07Å; W11-R15 PolarHBondContact O-N 3.03Å; P12-R15 PolarHBondContact O-N 3Å; S13-R15 VanDerWaalsContact C-N 3.33Å; S13-R15 PolarHBondContact O-N 3.16Å; R15-L18 PolarHBondContact O-N 2.83Å; R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.35Å; R15-L19 VanDerWaalsContact O-N 3.15Å
16L93.4Very high92.6Very high96 Ų9668.4 Ų68.450%0.50334%0.34SS..Hα-helixtrans-62.1-44.7175.2-176.361.2000111.3P12 S13 I14 L19 S20 V385P12-L16 WeakPolarHBondContact O-CB 3.15Å; P12-L16 PolarHBondContact O-N 3.45Å; S13-L16 PolarHBondContact O-N 2.99Å; I14-L16 VanDerWaalsContact C-N 3.33Å; I14-L16 PolarHBondContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-S20 WeakPolarHBondContact O-CB 3.32Å; L16-S20 PolarHBondContact O-N 3.31Å; L16-S20 VanDerWaalsContact O-N 3.11Å; L16-S20 PolarHBondContact O-OG 3.42Å; L16-V385 HydrophobicContact CB-CG1 4.41Å; L16-V385 HydrophobicContact CD2-CG1 3.8Å; L16-V385 HydrophobicContact CG-CG1 3.74Å
17G93.5Very high93Very high0 Ų066 Ų660%033%0.325CS..Hα-helixtrans-61.3-42.8175.400000113.1S13 I14 L19 S20 R281 N388S13-G17 PolarHBondContact O-N 2.57Å; I14-G17 PolarHBondContact O-N 2.84Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 3.35Å; G17-S20 PolarHBondContact O-N 2.85Å; G17-S20 VanDerWaalsContact O-N 3.17Å; G17-R281 PolarHBondContact O-NH1 2.8Å; G17-R281 PolarHBondContact O-NH2 3.3Å; G17-N388 WeakPolarHBondContact CA-OD1 3.39Å; G17-N388 PolarHBondContact O-ND2 2.81Å; G17-N388 PolarHBondContact O-OD1 3.49Å
18L91.7Very high93.3Very high24 Ų2466 Ų6613%0.12633%0.325CS..Hα-helixtrans-59.2-35.5175-75.8172.5000113.2W11 I14 R15 R281 L330 P383 P391W11-L18 HydrophobicContact CH2-CD1 4.08Å; W11-L18 HydrophobicContact CZ3-CD1 4.11Å; I14-L18 HydrophobicContact CG2-CD1 4.31Å; I14-L18 WeakPolarHBondContact O-CG 3.06Å; I14-L18 PolarHBondContact O-N 2.86Å; R15-L18 PolarHBondContact O-N 2.83Å; L18-R281 HydrophobicContact CD2-CB 4.27Å; L18-R281 PolarHBondContact O-NH1 2.8Å; L18-L330 HydrophobicContact CD1-CD1 3.8Å; L18-P383 HydrophobicContact CD2-CG 3.79Å; L18-P383 HydrophobicContact CG-CB 4.47Å; L18-P383 HydrophobicContact CG-CG 4.02Å; L18-P391 HydrophobicContact CD2-CG 4.14Å
19L90.3Very high93.5Very high118 Ų11858.6 Ų58.662%0.61829%0.293SS*.THydrogen-bonded Turntrans-88.4-2.2-179.5-64.8173.5000113.6R15 L16 G17R15-L19 HydrophobicContact CG-CD1 4.12Å; R15-L19 VanDerWaalsContact O-CG 3.31Å; R15-L19 WeakPolarHBondContact O-CG 3.43Å; R15-L19 PolarHBondContact O-N 3.35Å; R15-L19 VanDerWaalsContact O-N 3.15Å; L16-L19 PolarHBondContact O-N 3.25Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 3.35Å
20S91.4Very high93.6Very high45 Ų4551.1 Ų51.132%0.31526%0.262SS..SBendtrans-106.6160.8178.3-54.40000110.7L16 G17 R281 N388L16-S20 WeakPolarHBondContact O-CB 3.32Å; L16-S20 PolarHBondContact O-N 3.31Å; L16-S20 VanDerWaalsContact O-N 3.11Å; L16-S20 PolarHBondContact O-OG 3.42Å; G17-S20 PolarHBondContact O-N 2.85Å; G17-S20 VanDerWaalsContact O-N 3.17Å; S20-R281 PolarHBondContact O-NH1 2.71Å; S20-N388 PolarHBondContact O-ND2 3.39Å
21D89.4Confident93.7Very high149 Ų14947.2 Ų47.280%0.79725%0.246SC*.PPolyproline II helixtrans-59.2132.8-179.5-68.1-28.9000112N388D21-N388 PolarHBondContact O-ND2 2.89Å
22P90.5Very high93.6Very high32 Ų3246.8 Ų46.821%0.20825%0.25CC..PPolyproline II helixtrans-72.1149.6-179.729.1-33.2000111.7Y24 N388P22-Y24 HydrophobicContact CB-CE2 4.47Å; P22-Y24 HydrophobicContact CG-CE2 3.7Å; P22-Y24 WeakPolarHBondContact O-CD2 3.35Å; P22-N388 CarbonylContact C-O 3.56Å; P22-N388 WeakPolarHBondContact CA-O 3.3Å
23K91.1Very high93.4Very high22 Ų2243.8 Ų43.810%0.09623%0.233CC..PPolyproline II helixtrans-85.5120.9172.2-173162.2-174.3149.10110F153 P154 D157 N388K23-F153 WeakPolarHBondContact CE-O 3.42Å; K23-F153 PolarHBondContact NZ-O 3.17Å; K23-P154 PolarHBondContact NZ-O 3.16Å; K23-D157 PolarHBondContact NZ-O 3.18Å; K23-N388 PolarHBondContact N-O 3.2Å
24Y93.3Very high93.2Very high115 Ų11545.1 Ų45.145%0.45124%0.235SC..EExtended strand (participates in β ladder)trans-92.6153.2176.9-69.5-84.8000111.6P22 F161 L177P22-Y24 HydrophobicContact CB-CE2 4.47Å; P22-Y24 HydrophobicContact CG-CE2 3.7Å; P22-Y24 WeakPolarHBondContact O-CD2 3.35Å; Y24-F161 WeakPolarHBondContact O-CE2 3.23Å; Y24-L177 CarbonylContact C-O 3.44Å; Y24-L177 WeakPolarHBondContact CA-O 3.35Å; Y24-L177 VanDerWaalsContact CD1-C 3.46Å
25A95.3Very high93Very high0 Ų047.7 Ų47.70%026%0.262CS..EExtended strand (participates in β ladder)trans-107.5148.6164.600000110.1V150 M151 L152 L176 L177 V179A25-V150 HydrophobicContact CB-CG1 3.69Å; A25-M151 WeakPolarHBondContact CA-O 3.39Å; A25-L152 HydrophobicContact CB-CD2 3.52Å; A25-L152 HydrophobicContact CB-CG 4.25Å; A25-L176 WeakPolarHBondContact O-CA 3.33Å; A25-L177 PolarHBondContact N-O 3.1Å; A25-L177 PolarHBondContact O-N 2.93Å; A25-V179 HydrophobicContact CB-CB 3.99Å; A25-V179 HydrophobicContact CB-CG2 4.22Å
26A97.2Very high93Very high0 Ų043.9 Ų43.90%026%0.257CS..EExtended strand (participates in β ladder)trans-98.6111.2165.800000109.7L41 M151 F161 Y174 L176A26-L41 HydrophobicContact CB-CD1 4.22Å; A26-M151 HydrophobicContact CB-CB 4.32Å; A26-M151 PolarHBondContact N-O 3.46Å; A26-M151 PolarHBondContact O-N 2.78Å; A26-F161 HydrophobicContact CB-CD1 3.59Å; A26-F161 HydrophobicContact CB-CD2 4.24Å; A26-F161 HydrophobicContact CB-CE1 3.5Å; A26-F161 VanDerWaalsContact CB-CE1 3.5Å; A26-F161 HydrophobicContact CB-CE2 4.2Å; A26-F161 HydrophobicContact CB-CG 3.97Å; A26-F161 HydrophobicContact CB-CZ 3.84Å; A26-Y174 HydrophobicContact CB-CD2 3.75Å; A26-Y174 HydrophobicContact CB-CE2 4.3Å; A26-Y174 HydrophobicContact CB-CG 4.15Å; A26-L176 HydrophobicContact CB-CD2 3.83Å
27V97.3Very high93.1Very high0 Ų039.5 Ų39.50%023%0.234CC..EExtended strand (participates in β ladder)trans-91.7112.9174.9-178.30000109.1N29 L148 V150 Y174 Y175 L177 L209 C212V27-N29 PolarHBondContact O-N 2.81Å; V27-L148 HydrophobicContact CG1-CD1 3.84Å; V27-V150 HydrophobicContact CG2-CG1 4.33Å; V27-V150 HydrophobicContact CG2-CG2 4.02Å; V27-Y174 CarbonylContact O-C 3.53Å; V27-Y174 WeakPolarHBondContact O-CA 3.43Å; V27-Y174 WeakPolarHBondContact O-CB 3.39Å; V27-Y175 PolarHBondContact N-O 3.22Å; V27-Y175 PolarHBondContact O-N 3.28Å; V27-L177 HydrophobicContact CB-CD2 4.12Å; V27-L177 HydrophobicContact CG2-CD2 3.46Å; V27-L177 VanDerWaalsContact CG2-CD2 3.46Å; V27-L177 HydrophobicContact CG2-CG 4.27Å; V27-L209 HydrophobicContact CB-CD2 4.25Å; V27-L209 HydrophobicContact CG1-CD2 3.9Å; V27-L209 HydrophobicContact CG2-CD2 3.7Å; V27-C212 HydrophobicContact CG1-CB 4.47Å
28I97.5Very high93.2Very high7 Ų741.7 Ų41.74%0.03624%0.242CC..EExtended strand (participates in β ladder)trans-64.7127.7-178.5-61.2179000108.9S30 A33 V37 Y38 L41 K149 M151I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.47Å; I28-S30 PolarHBondContact O-OG 2.94Å; I28-A33 HydrophobicContact CG2-CB 3.59Å; I28-V37 HydrophobicContact CG2-CG1 4.44Å; I28-Y38 HydrophobicContact CD1-CD2 3.63Å; I28-Y38 HydrophobicContact CD1-CG 4.25Å; I28-L41 HydrophobicContact CD1-CD1 4.12Å; I28-L41 HydrophobicContact CG1-CD1 3.89Å; I28-K149 HydrophobicContact CB-CB 4.15Å; I28-K149 HydrophobicContact CD1-CB 4.12Å; I28-K149 HydrophobicContact CD1-CD 4.24Å; I28-K149 HydrophobicContact CG1-CB 4.36Å; I28-K149 PolarHBondContact N-O 3.33Å; I28-K149 VanDerWaalsContact N-O 3.08Å; I28-M151 HydrophobicContact CD1-CG 3.83Å; I28-M151 HydrophobicContact CD1-SD 4.06Å; I28-M151 HydrophobicContact CG1-CG 4.01Å
29N96.8Very high93.4Very high1 Ų145.2 Ų45.21%0.00526%0.258CS..  trans-71.187.9178.4-176.5-0.8000109.6V27 M31 A32 A33 L172 A173 Y239V27-N29 PolarHBondContact O-N 2.81Å; N29-M31 PolarHBondContact O-N 3.38Å; N29-M31 WeakPolarHBondContact OD1-CB 3.18Å; N29-M31 WeakPolarHBondContact OD1-CE 3.05Å; N29-M31 PolarHBondContact OD1-N 3.3Å; N29-A32 PolarHBondContact O-N 2.87Å; N29-A33 VanDerWaalsContact O-CB 3.28Å; N29-A33 WeakPolarHBondContact O-CB 3.31Å; N29-A33 PolarHBondContact O-N 2.84Å; N29-L172 VanDerWaalsContact CB-O 3.29Å; N29-L172 WeakPolarHBondContact CB-O 3.35Å; N29-L172 PolarHBondContact ND2-O 2.62Å; N29-A173 VanDerWaalsContact CB-O 3.26Å; N29-A173 WeakPolarHBondContact CB-O 3.36Å; N29-A173 PolarHBondContact N-O 3.26Å; N29-Y239 HydrophobicContact CB-CD1 4.46Å; N29-Y239 PolarHBondContact ND2-O 3.21Å
30S95.3Very high93.6Very high32 Ų3243.1 Ų43.122%0.22425%0.248CC..THydrogen-bonded Turntrans-65.8-7-175.4-59.50000113.6I28 N147I28-S30 VanDerWaalsContact C-N 3.29Å; I28-S30 PolarHBondContact O-N 3.47Å; I28-S30 PolarHBondContact O-OG 2.94Å; S30-N147 PolarHBondContact OG-O 3.11Å
31M94.4Very high93.9Very high28 Ų2841.2 Ų41.214%0.13823%0.234CC..THydrogen-bonded Turntrans-84.8-21173.8-52.5173.5-80.300112.8N29 L211 L214 V240 P241 L246N29-M31 PolarHBondContact O-N 3.38Å; N29-M31 WeakPolarHBondContact OD1-CB 3.18Å; N29-M31 WeakPolarHBondContact OD1-CE 3.05Å; N29-M31 PolarHBondContact OD1-N 3.3Å; M31-L211 HydrophobicContact CE-CB 4.01Å; M31-L211 HydrophobicContact SD-CB 3.76Å; M31-L214 HydrophobicContact CG-CD2 3.76Å; M31-V240 HydrophobicContact CE-CG2 4.23Å; M31-V240 HydrophobicContact SD-CG2 4.2Å; M31-P241 HydrophobicContact CB-CG 4.44Å; M31-P241 WeakPolarHBondContact O-CG 3.27Å; M31-L246 HydrophobicContact CB-CD1 4.2Å; M31-L246 HydrophobicContact CG-CD1 3.51Å; M31-L246 HydrophobicContact SD-CD1 3.57Å; M31-L246 VanDerWaalsContact SD-CD1 3.57Å
32A92.2Very high94.2Very high28 Ų2836.8 Ų36.823%0.23121%0.21CC..THydrogen-bonded Turntrans-140-30.5-168.200000115.3N29 T167 P241N29-A32 PolarHBondContact O-N 2.87Å; A32-T167 HydrophobicContact CB-CG2 4.43Å; A32-P241 HydrophobicContact CB-CG 3.86Å
33A90Very high94.4Very high24 Ų2442.5 Ų42.520%0.19823%0.234CC..  trans-71.8134.4-175.600000111.2I28 N29 V37I28-A33 HydrophobicContact CG2-CB 3.59Å; N29-A33 VanDerWaalsContact O-CB 3.28Å; N29-A33 WeakPolarHBondContact O-CB 3.31Å; N29-A33 PolarHBondContact O-N 2.84Å; A33-V37 HydrophobicContact CB-CB 4.11Å; A33-V37 HydrophobicContact CB-CG1 4.35Å; A33-V37 HydrophobicContact CB-CG2 3.93Å
34D90.1Very high94.7Very high87 Ų8745.3 Ų45.347%0.46525%0.249SC..  trans-82.1175.1168.964.143000111.4S36 V37D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 WeakPolarHBondContact OD1-CA 3.37Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.09Å; D34-S36 PolarHBondContact OD1-OG 3.24Å; D34-V37 PolarHBondContact O-N 3.38Å; D34-V37 PolarHBondContact OD1-N 3.43Å
35G90Very high94.8Very high56 Ų5642 Ų4258%0.57725%0.251SS*.Hα-helixtrans-61.1-23.9179.400000114.2V37 Y38 E39G35-V37 VanDerWaalsContact C-N 3.28Å; G35-V37 PolarHBondContact O-N 2.89Å; G35-Y38 PolarHBondContact O-N 3.01Å; G35-E39 PolarHBondContact O-N 3.03Å
36S93.4Very high94.8Very high58 Ų5842.5 Ų42.541%0.40625%0.253SS..Hα-helixtrans-67.1-30.9-179.179.50000112.1D34 Y38 E39 N40D34-S36 PolarHBondContact O-N 2.91Å; D34-S36 WeakPolarHBondContact OD1-CA 3.37Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.09Å; D34-S36 PolarHBondContact OD1-OG 3.24Å; S36-Y38 VanDerWaalsContact C-N 3.31Å; S36-Y38 PolarHBondContact O-N 2.91Å; S36-E39 PolarHBondContact O-N 3.02Å; S36-N40 VanDerWaalsContact O-CB 3.29Å; S36-N40 WeakPolarHBondContact O-CB 3.44Å; S36-N40 PolarHBondContact O-N 2.7Å; S36-N40 PolarHBondContact O-ND2 2.9Å; S36-N40 VanDerWaalsContact O-ND2 3.12Å
37V94.8Very high94.7Very high3 Ų343.8 Ų43.82%0.01826%0.259CS..Hα-helixtrans-61.4-42.9177178.90000110.7I28 A33 D34 G35 L41 A173 Y174I28-V37 HydrophobicContact CG2-CG1 4.44Å; A33-V37 HydrophobicContact CB-CB 4.11Å; A33-V37 HydrophobicContact CB-CG1 4.35Å; A33-V37 HydrophobicContact CB-CG2 3.93Å; D34-V37 PolarHBondContact O-N 3.38Å; D34-V37 PolarHBondContact OD1-N 3.43Å; G35-V37 VanDerWaalsContact C-N 3.28Å; G35-V37 PolarHBondContact O-N 2.89Å; V37-L41 HydrophobicContact CG1-CD1 4.16Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 2.89Å; V37-L41 VanDerWaalsContact O-N 3.08Å; V37-A173 HydrophobicContact CG1-CB 4Å; V37-A173 HydrophobicContact CG2-CB 3.88Å; V37-Y174 HydrophobicContact CG1-CD1 3.97Å
38Y95.1Very high94.5Very high46 Ų4644.3 Ų44.318%0.1826%0.262CS..Hα-helixtrans-63-49.1177.5179.4-99.1000111.3I28 G35 S36 N40 L41 L42 E48 K149 M151I28-Y38 HydrophobicContact CD1-CD2 3.63Å; I28-Y38 HydrophobicContact CD1-CG 4.25Å; G35-Y38 PolarHBondContact O-N 3.01Å; S36-Y38 VanDerWaalsContact C-N 3.31Å; S36-Y38 PolarHBondContact O-N 2.91Å; Y38-N40 PolarHBondContact O-N 3.46Å; Y38-L41 PolarHBondContact O-N 2.98Å; Y38-L42 HydrophobicContact CD1-CD1 3.85Å; Y38-L42 HydrophobicContact CD1-CG 4.39Å; Y38-L42 HydrophobicContact CE1-CD1 3.31Å; Y38-L42 HydrophobicContact CE1-CG 4.07Å; Y38-L42 PolarHBondContact O-N 2.96Å; Y38-E48 HydrophobicContact CE2-CB 4.2Å; Y38-E48 HydrophobicContact CE2-CG 4.19Å; Y38-K149 HydrophobicContact CD2-CD 4.07Å; Y38-K149 HydrophobicContact CE2-CD 4.44Å; Y38-M151 HydrophobicContact CD2-CE 4.11Å; Y38-M151 HydrophobicContact CD2-SD 3.83Å; Y38-M151 HydrophobicContact CE2-CE 3.89Å; Y38-M151 HydrophobicContact CE2-SD 3.69Å
39E95.7Very high94.3Very high99 Ų9944 Ų4446%0.46326%0.26SS..Hα-helixtrans-61.8-42.5178.4-63.9-56145.800112.5G35 S36 L41 L42 Q43G35-E39 PolarHBondContact O-N 3.03Å; S36-E39 PolarHBondContact O-N 3.02Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 2.97Å; E39-L42 WeakPolarHBondContact O-CB 3.35Å; E39-L42 PolarHBondContact O-N 3.26Å; E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 2.94Å
40N95.5Very high94Very high74 Ų7444 Ų4440%0.39626%0.26SS..Hα-helixtrans-62.5-40.3177.7-70.4-23.8000111.5S36 Y38 Q43 L44S36-N40 VanDerWaalsContact O-CB 3.29Å; S36-N40 WeakPolarHBondContact O-CB 3.44Å; S36-N40 PolarHBondContact O-N 2.7Å; S36-N40 PolarHBondContact O-ND2 2.9Å; S36-N40 VanDerWaalsContact O-ND2 3.12Å; Y38-N40 PolarHBondContact O-N 3.46Å; N40-Q43 PolarHBondContact O-N 3.46Å; N40-L44 PolarHBondContact O-N 3.4Å
41L96.4Very high93.6Very high5 Ų546.3 Ų46.33%0.02627%0.27CS..Hα-helixtrans-69-38.4176.2-68.6173.7000111.5A26 I28 V37 Y38 E39 Q43 L44 T46 M151 F161 Y174A26-L41 HydrophobicContact CB-CD1 4.22Å; I28-L41 HydrophobicContact CD1-CD1 4.12Å; I28-L41 HydrophobicContact CG1-CD1 3.89Å; V37-L41 HydrophobicContact CG1-CD1 4.16Å; V37-L41 VanDerWaalsContact O-CG 3.27Å; V37-L41 WeakPolarHBondContact O-CG 3.32Å; V37-L41 PolarHBondContact O-N 2.89Å; V37-L41 VanDerWaalsContact O-N 3.08Å; Y38-L41 PolarHBondContact O-N 2.98Å; E39-L41 VanDerWaalsContact C-N 3.32Å; E39-L41 PolarHBondContact O-N 2.97Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; L41-Q43 PolarHBondContact O-N 3.27Å; L41-L44 HydrophobicContact CD2-CD1 4.13Å; L41-L44 WeakPolarHBondContact O-CB 3.22Å; L41-L44 PolarHBondContact O-N 2.99Å; L41-T46 PolarHBondContact O-OG1 2.81Å; L41-M151 HydrophobicContact CB-CB 4.46Å; L41-M151 HydrophobicContact CB-CE 4.26Å; L41-M151 HydrophobicContact CB-CG 4.16Å; L41-M151 HydrophobicContact CD1-CB 4.23Å; L41-M151 HydrophobicContact CD1-CG 3.71Å; L41-F161 HydrophobicContact CD2-CD1 3.84Å; L41-F161 HydrophobicContact CD2-CE1 3.97Å; L41-Y174 HydrophobicContact CD1-CD1 4.19Å; L41-Y174 HydrophobicContact CD2-CE1 4.2Å
42L95.7Very high92.7Very high56 Ų5649 Ų4929%0.29328%0.282SS..Hα-helixtrans-60.8-40.6172.9-74.8-179.2000112Y38 E39 L44 G45 T46 M151Y38-L42 HydrophobicContact CD1-CD1 3.85Å; Y38-L42 HydrophobicContact CD1-CG 4.39Å; Y38-L42 HydrophobicContact CE1-CD1 3.31Å; Y38-L42 HydrophobicContact CE1-CG 4.07Å; Y38-L42 PolarHBondContact O-N 2.96Å; E39-L42 WeakPolarHBondContact O-CB 3.35Å; E39-L42 PolarHBondContact O-N 3.26Å; L42-L44 PolarHBondContact O-N 3.24Å; L42-G45 PolarHBondContact O-N 3.48Å; L42-T46 WeakPolarHBondContact CD2-O 3.42Å; L42-M151 HydrophobicContact CD2-CE 3.57Å; L42-M151 HydrophobicContact CG-CE 3.94Å
43Q96.2Very high92.1Very high151 Ų15148.6 Ų48.671%0.70628%0.276SS*.Hα-helixtrans-62.2-21.2176.8-72.9173.814.400113.6E39 N40 L41 G45E39-Q43 WeakPolarHBondContact O-CG 3.38Å; E39-Q43 PolarHBondContact O-N 2.94Å; N40-Q43 PolarHBondContact O-N 3.46Å; L41-Q43 VanDerWaalsContact C-N 3.32Å; L41-Q43 PolarHBondContact O-N 3.27Å; Q43-G45 PolarHBondContact O-N 3.06Å
44L95.9Very high91.6Very high81 Ų8151.7 Ų51.742%0.42428%0.282SS..THydrogen-bonded Turntrans-74.8-3.2171.7-60.1178.3000113.2N40 L41 L42 T46 F153 P162N40-L44 PolarHBondContact O-N 3.4Å; L41-L44 HydrophobicContact CD2-CD1 4.13Å; L41-L44 WeakPolarHBondContact O-CB 3.22Å; L41-L44 PolarHBondContact O-N 2.99Å; L42-L44 PolarHBondContact O-N 3.24Å; L44-T46 HydrophobicContact CB-CG2 4.27Å; L44-F153 HydrophobicContact CB-CE1 4.31Å; L44-F153 HydrophobicContact CB-CZ 4.29Å; L44-F153 VanDerWaalsContact O-CE1 3.3Å; L44-F153 WeakPolarHBondContact O-CE1 3.36Å; L44-P162 HydrophobicContact CD1-CG 4.23Å
45G95.7Very high90.6Very high46 Ų4652.1 Ų52.147%0.47429%0.291SS..THydrogen-bonded Turntrans87.518.7-175.900000113.7L42 Q43 P154L42-G45 PolarHBondContact O-N 3.48Å; Q43-G45 PolarHBondContact O-N 3.06Å; G45-P154 WeakPolarHBondContact O-CD 3.45Å
46T96.2Very high89.3Confident10 Ų1052.9 Ų52.96%0.06129%0.287CS..  trans-86.5164.6177.1720000111.7L41 L42 L44 M151 L152 F153 F161L41-T46 PolarHBondContact O-OG1 2.81Å; L42-T46 WeakPolarHBondContact CD2-O 3.42Å; L44-T46 HydrophobicContact CB-CG2 4.27Å; T46-M151 WeakPolarHBondContact OG1-CE 3.31Å; T46-L152 CarbonylContact C-O 3.58Å; T46-L152 WeakPolarHBondContact CA-O 3.44Å; T46-L152 VanDerWaalsContact CB-O 3.23Å; T46-L152 WeakPolarHBondContact CB-O 3.36Å; T46-F153 HydrophobicContact CG2-CD1 3.87Å; T46-F153 HydrophobicContact CG2-CD2 4.11Å; T46-F153 HydrophobicContact CG2-CE1 3.76Å; T46-F153 HydrophobicContact CG2-CE2 3.98Å; T46-F153 HydrophobicContact CG2-CG 4.06Å; T46-F153 HydrophobicContact CG2-CZ 3.81Å; T46-F161 HydrophobicContact CG2-CE1 3.65Å; T46-F161 HydrophobicContact CG2-CZ 3.83Å
47F94.4Very high87.1Confident28 Ų2855.4 Ų55.412%0.12331%0.305CS..EExtended strand (participates in β ladder)trans-128158.2171.372.9-82.7000110.4L49 Q52 M151 L152 P154 I369F47-L49 HydrophobicContact CE2-CD1 4.47Å; F47-Q52 VanDerWaalsContact CD2-CD 3.44Å; F47-Q52 HydrophobicContact CD2-CG 4.11Å; F47-Q52 HydrophobicContact CE2-CG 4.5Å; F47-M151 WeakPolarHBondContact O-CA 3.37Å; F47-L152 HydrophobicContact CD1-CB 4.36Å; F47-L152 WeakPolarHBondContact CD1-O 3.45Å; F47-L152 HydrophobicContact CE1-CB 3.83Å; F47-L152 HydrophobicContact CZ-CB 4.04Å; F47-L152 HydrophobicContact CZ-CD1 4.29Å; F47-L152 PolarHBondContact N-O 2.94Å; F47-L152 PolarHBondContact O-N 3.31Å; F47-P154 HydrophobicContact CD1-CG 4.41Å; F47-I369 HydrophobicContact CE1-CD1 4.29Å; F47-I369 HydrophobicContact CZ-CD1 4.02Å; F47-I369 HydrophobicContact CZ-CG1 3.92Å
48E94.5Very high84.9Confident11 Ų1160.3 Ų60.35%0.05135%0.346CS..EExtended strand (participates in β ladder)trans-88.4122174.6-158-77.7116.200109.8Y38 F50 D51 R54 K149 V150 M151Y38-E48 HydrophobicContact CE2-CB 4.2Å; Y38-E48 HydrophobicContact CE2-CG 4.19Å; E48-F50 PolarHBondContact O-N 3.08Å; E48-F50 WeakPolarHBondContact OE1-CB 3.28Å; E48-F50 PolarHBondContact OE1-N 3.21Å; E48-F50 PolarHBondContact OE2-N 3.27Å; E48-D51 HydrophobicContact CB-CB 4.08Å; E48-D51 WeakPolarHBondContact OE2-CA 3.18Å; E48-D51 WeakPolarHBondContact OE2-CB 3.2Å; E48-D51 PolarHBondContact OE2-N 2.92Å; E48-R54 IonicContact OE2-NH1 2.63Å; E48-R54 PolarHBondContact OE2-NH1 3.03Å; E48-K149 HydrophobicContact CG-CB 4.27Å; E48-V150 WeakPolarHBondContact CA-O 3.16Å; E48-V150 PolarHBondContact OE1-N 3.49Å; E48-V150 VanDerWaalsContact OE1-N 3.13Å; E48-M151 HydrophobicContact CB-CE 4.42Å; E48-M151 HydrophobicContact CB-SD 3.83Å; E48-M151 HydrophobicContact CG-SD 3.83Å
49L93.2Very high82.7Confident0 Ų060 Ų600%036%0.356CS..Hα-helixtrans-58.2-44.9-173.3177.961.2000112.6F47 I53 V150 L152 V179 L364 F370F47-L49 HydrophobicContact CE2-CD1 4.47Å; L49-I53 HydrophobicContact CD1-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.38Å; L49-V150 HydrophobicContact CB-CB 4.19Å; L49-V150 HydrophobicContact CB-CG1 4.4Å; L49-V150 HydrophobicContact CD2-CG1 4.38Å; L49-V150 PolarHBondContact N-O 3.47Å; L49-L152 HydrophobicContact CB-CD1 3.91Å; L49-L152 HydrophobicContact CD1-CD1 3.99Å; L49-L152 HydrophobicContact CD2-CD1 4.15Å; L49-L152 HydrophobicContact CG-CD1 4.23Å; L49-V179 HydrophobicContact CD2-CG2 4.35Å; L49-L364 HydrophobicContact CD1-CD2 4.39Å; L49-L364 HydrophobicContact CD2-CD2 4.14Å; L49-L364 HydrophobicContact CG-CD2 4.42Å; L49-F370 HydrophobicContact CD1-CE2 4.17Å; L49-F370 HydrophobicContact CD2-CE2 3.82Å; L49-F370 HydrophobicContact CD2-CZ 4.14Å
50F89.8Confident80.5Confident1 Ų158 Ų580%0.00436%0.363CS..Hα-helixtrans-83.8-23.9-171.5-61.6-55.6000113.5E48 Q52 I53 R54 Y144 L148 V150 V182 I186E48-F50 PolarHBondContact O-N 3.08Å; E48-F50 WeakPolarHBondContact OE1-CB 3.28Å; E48-F50 PolarHBondContact OE1-N 3.21Å; E48-F50 PolarHBondContact OE2-N 3.27Å; F50-Q52 VanDerWaalsContact C-N 3.31Å; F50-Q52 PolarHBondContact O-N 3.2Å; F50-I53 HydrophobicContact CD1-CD1 4.12Å; F50-I53 PolarHBondContact O-N 3.28Å; F50-I53 VanDerWaalsContact O-N 3.12Å; F50-R54 VanDerWaalsContact CB-CZ 3.47Å; F50-R54 WeakPolarHBondContact O-CB 3.25Å; F50-R54 WeakPolarHBondContact O-CG 3.16Å; F50-R54 PolarHBondContact O-N 3.25Å; F50-Y144 AromaticContact CD1-CD1 3.37Å; F50-Y144 HydrophobicContact CD1-CD1 3.37Å; F50-Y144 AromaticContact CD1-CE1 3.84Å; F50-Y144 HydrophobicContact CD1-CE1 3.84Å; F50-Y144 HydrophobicContact CD1-CG 4.18Å; F50-Y144 AromaticContact CE1-CD1 3.45Å; F50-Y144 HydrophobicContact CE1-CD1 3.45Å; F50-Y144 VanDerWaalsContact CE1-CD1 3.45Å; F50-Y144 AromaticContact CE1-CE1 3.7Å; F50-Y144 HydrophobicContact CE1-CE1 3.7Å; F50-Y144 HydrophobicContact CG-CD1 4.32Å; F50-Y144 HydrophobicContact CZ-CD1 4.4Å; F50-L148 HydrophobicContact CE2-CD2 3.72Å; F50-L148 HydrophobicContact CE2-CG 4Å; F50-L148 HydrophobicContact CZ-CD2 4.34Å; F50-V150 HydrophobicContact CD2-CB 4.48Å; F50-V150 HydrophobicContact CD2-CG2 4.15Å; F50-V150 HydrophobicContact CE2-CB 4.15Å; F50-V150 HydrophobicContact CE2-CG2 3.51Å; F50-V150 HydrophobicContact CZ-CG2 4.34Å; F50-V182 HydrophobicContact CE2-CG1 4.13Å; F50-V182 HydrophobicContact CZ-CG1 3.56Å; F50-I186 HydrophobicContact CE1-CD1 3.93Å; F50-I186 HydrophobicContact CE1-CG1 4.04Å; F50-I186 HydrophobicContact CE2-CD1 4.09Å; F50-I186 HydrophobicContact CZ-CD1 3.47Å; F50-I186 VanDerWaalsContact CZ-CD1 3.47Å; F50-I186 HydrophobicContact CZ-CG1 3.68Å
51D86.1Confident78.6Confident80 Ų8059 Ų5943%0.42837%0.367SS..Hα-helixtrans-60.1-45.1175.6-161.942.3000110.3E48 I53 R54 C55E48-D51 HydrophobicContact CB-CB 4.08Å; E48-D51 WeakPolarHBondContact OE2-CA 3.18Å; E48-D51 WeakPolarHBondContact OE2-CB 3.2Å; E48-D51 PolarHBondContact OE2-N 2.92Å; D51-I53 VanDerWaalsContact C-N 3.27Å; D51-I53 PolarHBondContact O-N 3.01Å; D51-R54 PolarHBondContact O-N 2.85Å; D51-C55 WeakPolarHBondContact O-CB 3.14Å; D51-C55 PolarHBondContact O-N 2.83Å; D51-C55 PolarHBondContact O-SG 2.77Å
52Q75.4Confident77Confident86 Ų8661.1 Ų61.140%0.40238%0.379SS..Hα-helixtrans-58.9-38.4174.2-67.3-170.5-10.400112.8F47 F50 S56F47-Q52 VanDerWaalsContact CD2-CD 3.44Å; F47-Q52 HydrophobicContact CD2-CG 4.11Å; F47-Q52 HydrophobicContact CE2-CG 4.5Å; F50-Q52 VanDerWaalsContact C-N 3.31Å; F50-Q52 PolarHBondContact O-N 3.2Å; Q52-S56 WeakPolarHBondContact O-CB 3.45Å; Q52-S56 PolarHBondContact O-N 3.04Å; Q52-S56 PolarHBondContact O-OG 3.36Å
53I79.7Confident75.4Confident18 Ų1865 Ų659%0.09240%0.395CS..Hα-helixtrans-75.6-42.8-178.4-65.1168.8000110.8L49 F50 D51 S56 Y144 P363 L364L49-I53 HydrophobicContact CD1-CD1 4.39Å; L49-I53 HydrophobicContact CG-CD1 4.38Å; F50-I53 HydrophobicContact CD1-CD1 4.12Å; F50-I53 PolarHBondContact O-N 3.28Å; F50-I53 VanDerWaalsContact O-N 3.12Å; D51-I53 VanDerWaalsContact C-N 3.27Å; D51-I53 PolarHBondContact O-N 3.01Å; I53-S56 PolarHBondContact O-N 2.73Å; I53-Y144 HydrophobicContact CD1-CE1 4.49Å; I53-Y144 HydrophobicContact CG2-CD2 4.08Å; I53-Y144 HydrophobicContact CG2-CE1 4.45Å; I53-Y144 HydrophobicContact CG2-CE2 3.57Å; I53-P363 HydrophobicContact CG1-CB 4.29Å; I53-P363 HydrophobicContact CG2-CB 3.75Å; I53-L364 HydrophobicContact CD1-CD2 3.52Å; I53-L364 HydrophobicContact CD1-CG 4.25Å
54R80.8Confident73.9Confident90 Ų9061.4 Ų61.434%0.3439%0.387SS..Hα-helixtrans-67.9-36.4179.3-69.2173.6-165.3129.80.5112E48 F50 D51 P145 L148E48-R54 IonicContact OE2-NH1 2.63Å; E48-R54 PolarHBondContact OE2-NH1 3.03Å; F50-R54 VanDerWaalsContact CB-CZ 3.47Å; F50-R54 WeakPolarHBondContact O-CB 3.25Å; F50-R54 WeakPolarHBondContact O-CG 3.16Å; F50-R54 PolarHBondContact O-N 3.25Å; D51-R54 PolarHBondContact O-N 2.85Å; R54-P145 PolarHBondContact NH2-O 2.82Å; R54-L148 PolarHBondContact NH2-O 3.31Å
55C68Low72.3Confident96 Ų9658.6 Ų58.665%0.64937%0.371SS*.Hα-helixtrans-76.5-22.6176.7-68.10000113.3D51 S57D51-C55 WeakPolarHBondContact O-CB 3.14Å; D51-C55 PolarHBondContact O-N 2.83Å; D51-C55 PolarHBondContact O-SG 2.77Å; C55-S57 PolarHBondContact O-N 3.25Å
56S62.1Low70.7Confident71 Ų7159 Ų5950%0.49736%0.362SS..SBendtrans-77.490.8176.2-65.60000110.1Q52 I53 A58Q52-S56 WeakPolarHBondContact O-CB 3.45Å; Q52-S56 PolarHBondContact O-N 3.04Å; Q52-S56 PolarHBondContact O-OG 3.36Å; I53-S56 PolarHBondContact O-N 2.73Å; S56-A58 PolarHBondContact O-N 2.93Å; S56-A58 VanDerWaalsContact O-N 3.09Å
57S48.7Very low69.3Low111 Ų11159.2 Ų59.278%0.77636%0.363SS*.THydrogen-bonded Turntrans-42.8114.7174.355.60000112.3C55 G59C55-S57 PolarHBondContact O-N 3.25Å; S57-G59 VanDerWaalsContact C-N 3.33Å; S57-G59 PolarHBondContact O-N 3.16Å
58A48.9Very low67.6Low107 Ų10762.9 Ų62.988%0.88438%0.379SS*.THydrogen-bonded Turntrans23.264.2161.600000114.9S56 G60S56-A58 PolarHBondContact O-N 2.93Å; S56-A58 VanDerWaalsContact O-N 3.09Å; A58-G60 PolarHBondContact O-N 2.77Å
59G47.5Very low65.6Low38 Ų3866.1 Ų66.139%0.39240%0.401SS..PPolyproline II helixtrans-73.4117170.200000108.4S57S57-G59 VanDerWaalsContact C-N 3.33Å; S57-G59 PolarHBondContact O-N 3.16Å
60G50.9Low63.4Low59 Ų5972.6 Ų72.661%0.60843%0.431SS*.PPolyproline II helixtrans-50.7161.5-175.900000114.7A58 N62 W362A58-G60 PolarHBondContact O-N 2.77Å; G60-N62 PolarHBondContact O-N 3.05Å; G60-W362 PolarHBondContact O-NE1 3.34Å; G60-W362 VanDerWaalsContact O-NE1 3.08Å
61I55.5Low61Low93 Ų9377.8 Ų77.848%0.47747%0.465SS..PPolyproline II helixtrans-63.8129.2179-57170.4000109E63 L66I61-E63 PolarHBondContact O-N 2.93Å; I61-L66 HydrophobicContact CG2-CD2 3.83Å; I61-L66 HydrophobicContact CG2-CG 4.22Å
62N61.5Low58.7Low50 Ų5077.8 Ų77.827%0.26746%0.464SS..  trans-80.6114.9167.4-178.5-14.8000109.1G60 S64 F65 W362G60-N62 PolarHBondContact O-N 3.05Å; N62-S64 PolarHBondContact ND2-OG 3.35Å; N62-S64 PolarHBondContact O-N 2.81Å; N62-S64 WeakPolarHBondContact OD1-CB 3.46Å; N62-S64 PolarHBondContact OD1-N 2.83Å; N62-S64 PolarHBondContact OD1-OG 3.4Å; N62-F65 HydrophobicContact CB-CD2 3.91Å; N62-F65 HydrophobicContact CB-CE2 4.31Å; N62-F65 PolarHBondContact O-N 3.3Å; N62-W362 HydrophobicContact CB-CD2 3.56Å; N62-W362 HydrophobicContact CB-CE3 3.54Å; N62-W362 HydrophobicContact CB-CG 4.09Å; N62-W362 HydrophobicContact CB-CH2 4.08Å; N62-W362 HydrophobicContact CB-CZ2 4.11Å; N62-W362 HydrophobicContact CB-CZ3 3.82Å; N62-W362 VanDerWaalsContact ND2-CH2 3.35Å; N62-W362 WeakPolarHBondContact ND2-CH2 3.29Å; N62-W362 WeakPolarHBondContact ND2-CZ3 3.4Å
63E62.8Low56.6Low137 Ų13782 Ų8264%0.6448%0.484SS*.THydrogen-bonded Turntrans-56.7-19.2-177.7-65.4-172.9-176.800114.5I61 F65 L66I61-E63 PolarHBondContact O-N 2.93Å; E63-F65 PolarHBondContact O-N 3Å; E63-L66 HydrophobicContact CB-CD1 4.05Å; E63-L66 HydrophobicContact CG-CD1 4.04Å; E63-L66 WeakPolarHBondContact O-CB 3.19Å; E63-L66 PolarHBondContact O-N 2.81Å
64S64.9Low54.1Low77 Ų7786.7 Ų86.754%0.53852%0.515SS..THydrogen-bonded Turntrans-69.1-16.8175.574.50000113.7N62N62-S64 PolarHBondContact ND2-OG 3.35Å; N62-S64 PolarHBondContact O-N 2.81Å; N62-S64 WeakPolarHBondContact OD1-CB 3.46Å; N62-S64 PolarHBondContact OD1-N 2.83Å; N62-S64 PolarHBondContact OD1-OG 3.4Å
65F62.5Low51.9Low21 Ų2188.8 Ų88.89%0.09254%0.538CS..SBendtrans-92.3-21.4176.2-75.1-93.9000113.3N62 E63 L67 S358 A361 W362 Q365 F372N62-F65 HydrophobicContact CB-CD2 3.91Å; N62-F65 HydrophobicContact CB-CE2 4.31Å; N62-F65 PolarHBondContact O-N 3.3Å; E63-F65 PolarHBondContact O-N 3Å; F65-L67 PolarHBondContact O-N 2.9Å; F65-S358 WeakPolarHBondContact CB-OG 3.12Å; F65-S358 PolarHBondContact O-OG 2.9Å; F65-A361 HydrophobicContact CD1-CB 3.47Å; F65-A361 VanDerWaalsContact CD1-CB 3.47Å; F65-A361 HydrophobicContact CE1-CB 3.68Å; F65-A361 HydrophobicContact CG-CB 4.31Å; F65-W362 HydrophobicContact CD2-CE3 4.18Å; F65-W362 AromaticContact CE2-CE3 3.51Å; F65-W362 HydrophobicContact CE2-CE3 3.51Å; F65-W362 HydrophobicContact CE2-CZ3 4.05Å; F65-W362 HydrophobicContact CZ-CE3 4.22Å; F65-Q365 HydrophobicContact CZ-CB 4Å; F65-Q365 VanDerWaalsContact CZ-CD 3.42Å; F65-Q365 HydrophobicContact CZ-CG 4.28Å; F65-F372 HydrophobicContact CE1-CB 3.84Å; F65-F372 AromaticContact CE1-CD2 3.87Å; F65-F372 HydrophobicContact CE1-CD2 3.87Å; F65-F372 HydrophobicContact CE1-CG 4.06Å; F65-F372 HydrophobicContact CZ-CD2 4.49Å
66L60.9Low50Low54 Ų5492.4 Ų92.428%0.28355%0.545SS..SBendtrans-53.2129-177.4-70.9174.1000109I61 E63 K68 D356 S358I61-L66 HydrophobicContact CG2-CD2 3.83Å; I61-L66 HydrophobicContact CG2-CG 4.22Å; E63-L66 HydrophobicContact CB-CD1 4.05Å; E63-L66 HydrophobicContact CG-CD1 4.04Å; E63-L66 WeakPolarHBondContact O-CB 3.19Å; E63-L66 PolarHBondContact O-N 2.81Å; L66-K68 PolarHBondContact O-N 2.78Å; L66-D356 WeakPolarHBondContact CD2-OD2 3.35Å; L66-S358 VanDerWaalsContact CA-OG 3.26Å; L66-S358 WeakPolarHBondContact CA-OG 3.32Å; L66-S358 PolarHBondContact N-OG 2.78Å; L66-S358 VanDerWaalsContact N-OG 3.16Å
67L67.6Low48.4Very low15 Ų1596.1 Ų96.18%0.07956%0.555CS.*  trans-66109.5177.8-65.7177.9000108F65 I137 V354 D356 C375 Y377F65-L67 PolarHBondContact O-N 2.9Å; L67-I137 HydrophobicContact CB-CD1 3.96Å; L67-I137 HydrophobicContact CB-CG2 4.14Å; L67-I137 HydrophobicContact CD1-CG2 4.26Å; L67-V354 HydrophobicContact CD1-CG1 3.98Å; L67-D356 HydrophobicContact CD1-CB 4.35Å; L67-D356 PolarHBondContact N-OD2 2.89Å; L67-D356 VanDerWaalsContact N-OD2 3.16Å; L67-C375 WeakPolarHBondContact CD2-O 3.21Å; L67-Y377 WeakPolarHBondContact CD1-O 3.31Å
68K58.2Low47.5Very low106 Ų106100.7 Ų100.746%0.46156%0.556SS.*  trans-105.6114.7173.1-68175.1-172.9176.30106.9L66 E70L66-K68 PolarHBondContact O-N 2.78Å; K68-E70 PolarHBondContact O-N 3.08Å
69P53.6Low46.5Very low78 Ų78103.1 Ų103.151%0.50655%0.549SS..  trans-67.491.3168.524.9-27000107.4I137P69-I137 HydrophobicContact CG-CD1 4.23Å
70E46.3Very low45.6Very low137 Ų137108.7 Ų108.764%0.6456%0.563SS**  trans-65.8140.3172.8-71.4-166164.800109.2K68 I72K68-E70 PolarHBondContact O-N 3.08Å; E70-I72 PolarHBondContact O-N 2.98Å
71P39.3Very low44.6Very low109 Ų109112 Ų11271%0.70857%0.573SS**  trans-56.5138.8169.8-17.229000109.4E73P71-E73 PolarHBondContact O-N 2.74Å
72I38.6Very low43.6Very low81 Ų81113.8 Ų113.842%0.41559%0.588SS.*  trans-58.6110.8170.9-61.9169.3000107.3E70 I132E70-I72 PolarHBondContact O-N 2.98Å; I72-I132 HydrophobicContact CB-CD1 4.09Å; I72-I132 HydrophobicContact CD1-CD1 3.79Å; I72-I132 HydrophobicContact CD1-CG1 3.74Å; I72-I132 HydrophobicContact CG1-CD1 3.69Å; I72-I132 HydrophobicContact CG1-CG1 4.22Å
73E30.1Very low42.2Very low174 Ų174120.1 Ų120.181%0.81361%0.614SS**PPolyproline II helixtrans-60.1126.9162.5-77.7-169.116600106.9P71 V75P71-E73 PolarHBondContact O-N 2.74Å; E73-V75 PolarHBondContact O-N 2.88Å
74P27.1Very low40.8Very low117 Ų117119 Ų11976%0.7662%0.621SS**PPolyproline II helixtrans-55.8120.3176.821.8-29.8000107.7E76P74-E76 PolarHBondContact O-N 3.09Å
75V34.3Very low39.3Very low133 Ų133122.3 Ų122.381%0.80663%0.626SS**PPolyproline II helixtrans-56116.4171.9-179.90000106E73 E77E73-V75 PolarHBondContact O-N 2.88Å; V75-E77 PolarHBondContact O-N 2.85Å
76E29Very low37.8Very low173 Ų173123.9 Ų123.981%0.80864%0.639SS**  trans-51.2113.5169.5-82.5-172.4161.300107.4P74 Y78P74-E76 PolarHBondContact O-N 3.09Å; E76-Y78 PolarHBondContact O-N 3.27Å
77E28.6Very low36.7Very low149 Ų149127.5 Ų127.570%0.69666%0.664SS**  trans-58.5106.1-178.3-161.5-179.7-136.700107V75 Q79V75-E77 PolarHBondContact O-N 2.85Å; E77-Q79 HydrophobicContact CB-CG 4.41Å; E77-Q79 HydrophobicContact CG-CG 4.22Å; E77-Q79 PolarHBondContact O-N 2.61Å; E77-Q79 PolarHBondContact OE2-NE2 3.42Å
78Y30.1Very low35.1Very low206 Ų206130.2 Ų130.281%0.80869%0.688SS**  trans-71.382.3177.2-131.5-90.4000107.5E76 K80E76-Y78 PolarHBondContact O-N 3.27Å; Y78-K80 PolarHBondContact O-N 2.84Å
79Q26.8Very low34.1Very low158 Ų158128.5 Ų128.574%0.73868%0.684SS**  trans-71.571.7175-68.3-176.4-4.800109.5E77E77-Q79 HydrophobicContact CB-CG 4.41Å; E77-Q79 HydrophobicContact CG-CG 4.22Å; E77-Q79 PolarHBondContact O-N 2.61Å; E77-Q79 PolarHBondContact OE2-NE2 3.42Å
80K28.6Very low33.5Very low156 Ų156131.2 Ų131.268%0.67869%0.693SS**  trans-113.9125.7154.5-87.9-174.5176.4176.80107.9Y78 V82Y78-K80 PolarHBondContact O-N 2.84Å; K80-V82 PolarHBondContact O-N 3.03Å
81P29.5Very low33.1Very low127 Ų127129.3 Ų129.383%0.82570%0.695SS**  trans-61.4109.6179.624.5-30.9000108.4K83P81-K83 PolarHBondContact O-N 3.19Å; P81-K83 VanDerWaalsContact O-N 3.13Å
82V35.3Very low32.8Very low131 Ų131134.4 Ų134.479%0.79470%0.7SS**  trans-69108.1165.9-179.80000105.2K80 S84K80-V82 PolarHBondContact O-N 3.03Å; V82-S84 PolarHBondContact O-N 2.68Å; V82-S84 VanDerWaalsContact O-N 3.16Å
83K32.3Very low32.6Very low184 Ų184140 Ų14080%0.872%0.716SS**  trans-49.5125168.3-79.5-177.5174.3-178.70107.6P81 F85P81-K83 PolarHBondContact O-N 3.19Å; P81-K83 VanDerWaalsContact O-N 3.13Å; K83-F85 PolarHBondContact O-N 2.78Å
84S33Very low32.7Very low113 Ų113138.4 Ų138.479%0.7971%0.712SS**  trans-49110.1173.951.80000108.9V82 S86V82-S84 PolarHBondContact O-N 2.68Å; V82-S84 VanDerWaalsContact O-N 3.16Å; S84-S86 PolarHBondContact O-N 3.45Å
85F33.7Very low33Very low146 Ų146141 Ų14164%0.6471%0.714SS**  trans-77112.3173.8-113.1-94.1000107.3K83 D89K83-F85 PolarHBondContact O-N 2.78Å; F85-D89 HydrophobicContact CD1-CB 4.19Å; F85-D89 HydrophobicContact CE1-CB 4.3Å
86S32Very low33Very low54 Ų54145.6 Ų145.638%0.37872%0.717SS.*  trans-79.9146.7170.4790000109S84 A88 D89S84-S86 PolarHBondContact O-N 3.45Å; S86-A88 PolarHBondContact O-N 2.95Å; S86-D89 WeakPolarHBondContact CB-OD2 3.33Å; S86-D89 PolarHBondContact N-OD2 3.42Å; S86-D89 VanDerWaalsContact N-OD2 3.09Å; S86-D89 WeakPolarHBondContact O-CB 3.42Å; S86-D89 PolarHBondContact O-N 3.22Å; S86-D89 VanDerWaalsContact OG-CG 3.23Å; S86-D89 PolarHBondContact OG-N 3.46Å; S86-D89 PolarHBondContact OG-OD2 3Å
87V36.1Very low33.2Very low131 Ų131139.8 Ų139.879%0.79470%0.699SS**G310 helixtrans-58.8-19176.4-179.70000111.7
88A35.5Very low33.4Very low71 Ų71138.2 Ų138.259%0.58769%0.693SS**G310 helixtrans-75.5-22.2174.500000114.2S86 I90 S91S86-A88 PolarHBondContact O-N 2.95Å; A88-I90 PolarHBondContact O-N 2.83Å; A88-S91 PolarHBondContact O-N 3.26Å; A88-S91 PolarHBondContact O-OG 3.3Å
89D36.9Very low33.5Very low71 Ų71134.3 Ų134.338%0.3869%0.691SS.*G310 helixtrans-75.9-8.7-179.1-65.5-52.5000113.5F85 S86 S91F85-D89 HydrophobicContact CD1-CB 4.19Å; F85-D89 HydrophobicContact CE1-CB 4.3Å; S86-D89 WeakPolarHBondContact CB-OD2 3.33Å; S86-D89 PolarHBondContact N-OD2 3.42Å; S86-D89 VanDerWaalsContact N-OD2 3.09Å; S86-D89 WeakPolarHBondContact O-CB 3.42Å; S86-D89 PolarHBondContact O-N 3.22Å; S86-D89 VanDerWaalsContact OG-CG 3.23Å; S86-D89 PolarHBondContact OG-N 3.46Å; S86-D89 PolarHBondContact OG-OD2 3Å; D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 3.09Å
90I39.9Very low33.7Very low135 Ų135134.4 Ų134.469%0.69269%0.691SS**G310 helixtrans-76-18.7179.1-60.3172.4000111.4A88A88-I90 PolarHBondContact O-N 2.83Å
91S37.5Very low34Very low97 Ų97130.6 Ų130.668%0.67868%0.675SS**G310 helixtrans-89.5-5.3-172.867.40000115.4A88 D89A88-S91 PolarHBondContact O-N 3.26Å; A88-S91 PolarHBondContact O-OG 3.3Å; D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 3.09Å
92R33.3Very low34.2Very low215 Ų215129.5 Ų129.581%0.81166%0.661SS**  trans-141.387.1-174.9-71.7-178.3175.8171.1-1.2110.9
93R34.8Very low34Very low200 Ų200125.7 Ų125.776%0.75564%0.635SS**  trans-166133.6158.7-102.8143.9-164.4-150.410.3111.9
94D31.6Very low33.9Very low139 Ų139118.9 Ų118.974%0.74361%0.609SS**  trans-41.3149.8-175.1-79.9-48.5000116.1R96 A97D94-R96 PolarHBondContact O-N 2.99Å; D94-A97 PolarHBondContact O-N 3.3Å
95E34Very low33.8Very low171 Ų171117.5 Ų117.580%0.79960%0.596SS**G310 helixtrans-52.3-10175.8-65.8-174.7151.600115.1M98E95-M98 WeakPolarHBondContact O-CG 3.33Å
96R33.6Very low33.8Very low230 Ų230117.9 Ų117.987%0.86860%0.598SS**G310 helixtrans-86.5-14.7176-62.2-177.7-170.21763.7114.2D94 M98D94-R96 PolarHBondContact O-N 2.99Å; R96-M98 VanDerWaalsContact C-N 3.29Å
97A34.7Very low34.1Very low52 Ų52120.2 Ų120.243%0.4360%0.601SS.*G310 helixtrans-84.1-0.8173.200000113.2D94 T99 E100D94-A97 PolarHBondContact O-N 3.3Å; A97-T99 PolarHBondContact O-N 3.46Å; A97-E100 PolarHBondContact O-N 2.99Å
98M31.2Very low34.2Very low116 Ų116116.5 Ų116.557%0.57158%0.576SS**THydrogen-bonded Turntrans-69.44.7-175.7-66.3-146-48.800115.7E95 R96E95-M98 WeakPolarHBondContact O-CG 3.33Å; R96-M98 VanDerWaalsContact C-N 3.29Å
99T33.2Very low34.1Very low124 Ų124117.2 Ų117.276%0.76158%0.582SS**THydrogen-bonded Turntrans-114.42.9-178.753.50000114A97 F101A97-T99 PolarHBondContact O-N 3.46Å; T99-F101 PolarHBondContact O-N 3.08Å
100E31.3Very low33.9Very low159 Ų159123.1 Ų123.174%0.74360%0.604SS**  trans-76.997.9178.5-106.1-176.4162.300112A97 I102A97-E100 PolarHBondContact O-N 2.99Å; E100-I102 PolarHBondContact O-N 3.25Å
101F35.4Very low33.6Very low76 Ų76121 Ų12133%0.33360%0.602SS.*PPolyproline II helixtrans-68.2121.9169.7175.4-86.2000110.6M1 C2 T99 Q103 F291M1-F101 HydrophobicContact CB-CD1 4.13Å; C2-F101 HydrophobicContact CB-CE1 3.68Å; C2-F101 HydrophobicContact CB-CZ 3.8Å; C2-F101 WeakPolarHBondContact SG-CE1 3.43Å; C2-F101 WeakPolarHBondContact SG-CZ 3.44Å; T99-F101 PolarHBondContact O-N 3.08Å; F101-Q103 HydrophobicContact CE1-CG 4.21Å; F101-F291 HydrophobicContact CE2-CE1 4.41Å
102I33.4Very low33.7Very low105 Ų105119.6 Ų119.654%0.53859%0.589SS.*PPolyproline II helixtrans-97.6126.8174.9-51.4174.4000109.3E100 K106 F107E100-I102 PolarHBondContact O-N 3.25Å; I102-K106 HydrophobicContact CG2-CB 4.48Å; I102-K106 HydrophobicContact CG2-CD 4.35Å; I102-F107 HydrophobicContact CB-CE2 4.29Å; I102-F107 HydrophobicContact CG2-CD2 4.33Å; I102-F107 HydrophobicContact CG2-CE2 3.49Å; I102-F107 VanDerWaalsContact CG2-CE2 3.49Å; I102-F107 HydrophobicContact CG2-CZ 4.14Å
103Q30.1Very low33.8Very low50 Ų50115.3 Ų115.323%0.23458%0.576CS.*PPolyproline II helixtrans-65.9135-179.4-71.5177-26.600111.8M1 F101 T105 K106M1-Q103 PolarHBondContact O-NE2 3.38Å; F101-Q103 HydrophobicContact CE1-CG 4.21Å; Q103-T105 PolarHBondContact O-N 2.84Å; Q103-K106 HydrophobicContact CB-CG 4.31Å; Q103-K106 WeakPolarHBondContact O-CB 3.5Å; Q103-K106 PolarHBondContact O-N 3.25Å
104P29.8Very low33.6Very low42 Ų42111.9 Ų111.927%0.27358%0.58SS.*THydrogen-bonded Turntrans-54.8-32.8170.4-25.834.4000113K106 F107 I108P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.17Å; P104-F107 PolarHBondContact O-N 3.38Å; P104-I108 HydrophobicContact CB-CD1 4.28Å; P104-I108 WeakPolarHBondContact O-CG1 3.46Å; P104-I108 PolarHBondContact O-N 3.36Å
105T32.2Very low33.6Very low84 Ų84111.6 Ų111.652%0.51558%0.577SS.*Hα-helixtrans-59.2-25.6175.8-1.50000113.5Q103 F107Q103-T105 PolarHBondContact O-N 2.84Å; T105-F107 VanDerWaalsContact C-N 3.28Å; T105-F107 PolarHBondContact O-N 2.79Å
106K34.1Very low33.3Very low153 Ų153108.4 Ų108.467%0.66557%0.565SS**Hα-helixtrans-74.7-15176.2-73.1-173.6174.8-175.30113.7I102 Q103 P104I102-K106 HydrophobicContact CG2-CB 4.48Å; I102-K106 HydrophobicContact CG2-CD 4.35Å; Q103-K106 HydrophobicContact CB-CG 4.31Å; Q103-K106 WeakPolarHBondContact O-CB 3.5Å; Q103-K106 PolarHBondContact O-N 3.25Å; P104-K106 PolarHBondContact O-N 2.86Å; P104-K106 VanDerWaalsContact O-N 3.17Å
107F37.1Very low33.3Very low104 Ų104102.6 Ų102.646%0.45656%0.556SS.*Hα-helixtrans-104.3-32.4178.6-69.5-76.6000112.9I102 P104 T105 A109 K110 S111I102-F107 HydrophobicContact CB-CE2 4.29Å; I102-F107 HydrophobicContact CG2-CD2 4.33Å; I102-F107 HydrophobicContact CG2-CE2 3.49Å; I102-F107 VanDerWaalsContact CG2-CE2 3.49Å; I102-F107 HydrophobicContact CG2-CZ 4.14Å; P104-F107 PolarHBondContact O-N 3.38Å; T105-F107 VanDerWaalsContact C-N 3.28Å; T105-F107 PolarHBondContact O-N 2.79Å; F107-A109 PolarHBondContact O-N 3.45Å; F107-K110 PolarHBondContact O-N 2.83Å; F107-S111 PolarHBondContact O-N 2.8Å; F107-S111 PolarHBondContact O-OG 3.29Å
108I38Very low33.2Very low53 Ų53106 Ų10627%0.27257%0.571SS.*Hα-helixtrans-66.9-24.7-173.7-66.4164.6000112.8P104 K110 V112 V333P104-I108 HydrophobicContact CB-CD1 4.28Å; P104-I108 WeakPolarHBondContact O-CG1 3.46Å; P104-I108 PolarHBondContact O-N 3.36Å; I108-K110 PolarHBondContact O-N 2.8Å; I108-V112 HydrophobicContact CB-CG2 4.45Å; I108-V112 HydrophobicContact CG1-CG2 4.38Å; I108-V112 HydrophobicContact CG2-CB 4.37Å; I108-V112 HydrophobicContact CG2-CG2 4.13Å; I108-V333 HydrophobicContact CD1-CB 4.27Å; I108-V333 HydrophobicContact CD1-CG1 3.3Å; I108-V333 HydrophobicContact CD1-CG2 3.92Å
109A34Very low33.3Very low85 Ų85108 Ų10870%0.70258%0.579SS**Hα-helixtrans-71-9.2179.300000115.2F107F107-A109 PolarHBondContact O-N 3.45Å
110K33.5Very low33.2Very low196 Ų196107.9 Ų107.985%0.85257%0.571SS**Hα-helixtrans-131.3-15.7-177.8-82.8-173.2174.7-176.20116.3F107 I108F107-K110 PolarHBondContact O-N 2.83Å; I108-K110 PolarHBondContact O-N 2.8Å
111S33Very low33.2Very low91 Ų91106.3 Ų106.364%0.63658%0.578SS**Hα-helixtrans-119.3-3-173.266.10000115.3F107F107-S111 PolarHBondContact O-N 2.8Å; F107-S111 PolarHBondContact O-OG 3.29Å
112V40.5Very low32.9Very low66 Ų66106 Ų10640%0.460%0.596SS.*SBendtrans-106-13.5179.5-174.20000112.1I108I108-V112 HydrophobicContact CB-CG2 4.45Å; I108-V112 HydrophobicContact CG1-CG2 4.38Å; I108-V112 HydrophobicContact CG2-CB 4.37Å; I108-V112 HydrophobicContact CG2-CG2 4.13Å
113F34.5Very low32.7Very low126 Ų126109.4 Ų109.455%0.55361%0.611SS**SBendtrans-116.3104.9164.8-65.7-82.7000107.5I115F113-I115 PolarHBondContact O-N 3.32Å
114P30.9Very low32.6Very low127 Ų127115.6 Ų115.683%0.82564%0.641SS**  trans-69.989167.229.4-28.2000106.6D116P114-D116 PolarHBondContact O-N 3.12Å
115I31.4Very low32.6Very low133 Ų133122.9 Ų122.968%0.68267%0.668SS**  trans-70112.6154.6-61174.1000103.7F113 T117F113-I115 PolarHBondContact O-N 3.32Å; I115-T117 VanDerWaalsContact C-N 3.33Å; I115-T117 PolarHBondContact O-N 3.48Å
116D27.2Very low32.5Very low105 Ų105126 Ų12656%0.56168%0.681SS**  trans-60.896175-160.2-23000108.7P114 T118P114-D116 PolarHBondContact O-N 3.12Å; D116-T118 PolarHBondContact O-N 3.45Å; D116-T118 VanDerWaalsContact O-N 3.09Å; D116-T118 PolarHBondContact OD1-N 2.87Å; D116-T118 PolarHBondContact OD1-OG1 2.93Å
117T34.5Very low32.3Very low108 Ų108124.4 Ų124.466%0.66369%0.689SS**THydrogen-bonded Turntrans-710.8-176.544.60000113.1I115 M120I115-T117 VanDerWaalsContact C-N 3.33Å; I115-T117 PolarHBondContact O-N 3.48Å; T117-M120 HydrophobicContact CG2-SD 4.28Å
118T32.8Very low32.1Very low122 Ų122123.7 Ų123.775%0.74870%0.702SS**THydrogen-bonded Turntrans-93.9-7-175.76.70000114.8D116D116-T118 PolarHBondContact O-N 3.45Å; D116-T118 VanDerWaalsContact O-N 3.09Å; D116-T118 PolarHBondContact OD1-N 2.87Å; D116-T118 PolarHBondContact OD1-OG1 2.93Å
119E31.6Very low31.8Very low160 Ų160130 Ų13075%0.74873%0.728SS**SBendtrans-103.610.8173-67.2-164.2154.100114.2S121E119-S121 PolarHBondContact O-N 3.06Å
120M32.1Very low32.2Very low120 Ų120130.7 Ų130.759%0.59173%0.725SS**THydrogen-bonded Turntrans-77.419-171.7-77.8-171.461.200116.6T117 F125T117-M120 HydrophobicContact CG2-SD 4.28Å; M120-F125 HydrophobicContact CE-CE2 4.37Å
121S30.5Very low32.7Very low126 Ų126127.8 Ų127.888%0.88172%0.724SS**THydrogen-bonded Turntrans-94.68-178.962.10000115.5E119E119-S121 PolarHBondContact O-N 3.06Å
122G29.2Very low33.6Very low69 Ų69126.3 Ų126.371%0.71171%0.708SS**SBendtrans-153.79-172.400000119.6
123M29.3Very low34.3Very low177 Ų177124.6 Ų124.687%0.87270%0.698SS**  trans-122.4118.4-179-68.5-163.8-171.400113F125M123-F125 PolarHBondContact O-N 3.39Å
124E28.3Very low35.9Very low181 Ų181128.1 Ų128.185%0.84672%0.716SS**  trans-51128.8165.7-72.1176.2143.400110L126E124-L126 PolarHBondContact O-N 3.28Å
125F29.4Very low38.1Very low194 Ų194123.2 Ų123.285%0.85168%0.684SS**  trans-6384.7170.5-95.2-100.3000109.6M120 M123 S127M120-F125 HydrophobicContact CE-CE2 4.37Å; M123-F125 PolarHBondContact O-N 3.39Å; F125-S127 PolarHBondContact O-N 2.94Å
126L30.9Very low40.7Very low150 Ų150119.6 Ų119.679%0.78567%0.671SS**  trans-69.3118.4157.8-72.2171.5000106.8E124 A128E124-L126 PolarHBondContact O-N 3.28Å; L126-A128 PolarHBondContact O-N 3.12Å
127S29.3Very low43.6Very low119 Ų119116.8 Ų116.883%0.83266%0.655SS**  trans-59.681.5174.164.30000110.6F125 K129F125-S127 PolarHBondContact O-N 2.94Å; S127-K129 PolarHBondContact O-N 2.97Å
128A32.4Very low46.3Very low89 Ų89113.4 Ų113.474%0.73663%0.634SS**  trans-74.7109.2169.800000107.5L126L126-A128 PolarHBondContact O-N 3.12Å
129K32.5Very low49Very low186 Ų186113.4 Ų113.481%0.80964%0.636SS**  trans-52.8137.2165.8-69.5-179.4177.9-179.70107.8S127 V131S127-K129 PolarHBondContact O-N 2.97Å; K129-V131 PolarHBondContact O-N 3.25Å
130P42Very low51.8Low99 Ų99107.7 Ų107.764%0.64361%0.608SS**  trans-55.7120.4176.721.9-30.6000108.7I132P130-I132 PolarHBondContact O-N 3.38Å
131V44.9Very low54.6Low136 Ų136109.4 Ų109.482%0.82462%0.615SS**  trans-71102.3174179.10000106.2K129 P133K129-V131 PolarHBondContact O-N 3.25Å; V131-P133 WeakPolarHBondContact O-CD 3.35Å
132I51.7Low57.4Low59 Ų59104.3 Ų104.330%0.30358%0.578SS.*  trans-73.6117.4173.5-58174.5000106.4I72 P130 Q134I72-I132 HydrophobicContact CB-CD1 4.09Å; I72-I132 HydrophobicContact CD1-CD1 3.79Å; I72-I132 HydrophobicContact CD1-CG1 3.74Å; I72-I132 HydrophobicContact CG1-CD1 3.69Å; I72-I132 HydrophobicContact CG1-CG1 4.22Å; P130-I132 PolarHBondContact O-N 3.38Å; I132-Q134 PolarHBondContact O-N 3.15Å
133P55.9Low60.2Low31 Ų31107.4 Ų107.420%0.20157%0.574CS.*  trans-57.8135.5176.528-38.4000109.6V131 V135 Q344V131-P133 WeakPolarHBondContact O-CD 3.35Å; P133-V135 VanDerWaalsContact C-N 3.26Å; P133-V135 HydrophobicContact CG-CG2 4.31Å; P133-V135 PolarHBondContact O-N 3.1Å; P133-Q344 HydrophobicContact CB-CG 4.23Å; P133-Q344 HydrophobicContact CG-CG 3.58Å
134Q66.5Low63Low199 Ų199100.8 Ų100.893%0.9354%0.54SS*.  trans-7484.7170.8-74.4-167.9-1600108.9I132 S136I132-Q134 PolarHBondContact O-N 3.15Å; Q134-S136 PolarHBondContact O-N 3.37Å
135V78.2Confident65.9Low25 Ų2593 Ų9315%0.15251%0.505CS..PPolyproline II helixtrans-69119.3171.8-177.40000108.4P133 I137 M343 V354 Y377P133-V135 VanDerWaalsContact C-N 3.26Å; P133-V135 HydrophobicContact CG-CG2 4.31Å; P133-V135 PolarHBondContact O-N 3.1Å; V135-I137 PolarHBondContact O-N 3.04Å; V135-M343 HydrophobicContact CG1-CG 3.97Å; V135-M343 HydrophobicContact CG1-SD 4.19Å; V135-M343 HydrophobicContact CG2-CB 3.79Å; V135-M343 HydrophobicContact CG2-CG 4.05Å; V135-V354 HydrophobicContact CG1-CB 4.26Å; V135-V354 HydrophobicContact CG1-CG2 3.49Å; V135-V354 VanDerWaalsContact CG1-CG2 3.49Å; V135-Y377 HydrophobicContact CB-CE1 3.76Å; V135-Y377 HydrophobicContact CG1-CD1 4.13Å; V135-Y377 HydrophobicContact CG1-CE1 3.85Å; V135-Y377 HydrophobicContact CG2-CE1 3.71Å
136S86.4Confident68.8Low57 Ų5791.5 Ų91.540%0.39950%0.501SS..PPolyproline II helixtrans-71.4119.4176.560.30000110Q134 A353 V354Q134-S136 PolarHBondContact O-N 3.37Å; S136-A353 WeakPolarHBondContact O-CA 3.36Å; S136-A353 WeakPolarHBondContact OG-CA 3.47Å; S136-A353 VanDerWaalsContact OG-CB 3.31Å; S136-A353 WeakPolarHBondContact OG-CB 3.46Å; S136-V354 PolarHBondContact O-N 2.97Å
137I88Confident71.8Confident46 Ų4687.9 Ų87.924%0.23648%0.482CS..EExtended strand (participates in β ladder)trans-102.6125.9172.7-64.2164.4000108.1L67 P69 V135 V354 D356L67-I137 HydrophobicContact CB-CD1 3.96Å; L67-I137 HydrophobicContact CB-CG2 4.14Å; L67-I137 HydrophobicContact CD1-CG2 4.26Å; P69-I137 HydrophobicContact CG-CD1 4.23Å; V135-I137 PolarHBondContact O-N 3.04Å; I137-V354 CarbonylContact C-O 3.52Å; I137-V354 VanDerWaalsContact CA-O 3.25Å; I137-V354 WeakPolarHBondContact CA-O 3.29Å; I137-V354 HydrophobicContact CG1-CB 4.16Å; I137-V354 HydrophobicContact CG1-CG1 4.4Å; I137-D356 HydrophobicContact CG2-CB 3.92Å
138V91.4Very high75Confident37 Ų3782.2 Ų82.222%0.22444%0.442CS..EExtended strand (participates in β ladder)trans-115.1135.3179.7-63.70000110.4Y140 A353 V354 C355 D356 L398 M400V138-Y140 PolarHBondContact O-N 3.18Å; V138-A353 HydrophobicContact CG1-CB 4.08Å; V138-A353 HydrophobicContact CG2-CB 4.1Å; V138-V354 PolarHBondContact N-O 3.09Å; V138-C355 CarbonylContact O-C 3.58Å; V138-C355 WeakPolarHBondContact O-CA 3.29Å; V138-D356 PolarHBondContact O-N 2.73Å; V138-L398 HydrophobicContact CG2-CD2 4.48Å; V138-M400 HydrophobicContact CG1-CE 4.29Å
139P89.4Confident78Confident121 Ų12181.6 Ų81.679%0.78642%0.423SS*.EExtended strand (participates in β ladder)trans-55.4139.3171.2-23.633.4000110.9
140Y90.7Very high81Confident40 Ų4072.8 Ų72.816%0.15739%0.385CS..  trans-138.2133.1178.3-157.7-86.5000111V138 V142 D189 C355 D356 S359 K396V138-Y140 PolarHBondContact O-N 3.18Å; Y140-V142 HydrophobicContact CD1-CG2 3.86Å; Y140-V142 HydrophobicContact CE1-CG2 3.98Å; Y140-D189 HydrophobicContact CE1-CB 3.96Å; Y140-D189 PolarHBondContact OH-OD2 2.64Å; Y140-C355 HydrophobicContact CD2-CB 4.03Å; Y140-C355 WeakPolarHBondContact CD2-SG 3.26Å; Y140-C355 HydrophobicContact CG-CB 3.93Å; Y140-D356 PolarHBondContact N-O 2.96Å; Y140-S359 PolarHBondContact O-OG 3.39Å; Y140-K396 HydrophobicContact CD1-CD 4.14Å; Y140-K396 HydrophobicContact CE1-CD 4.05Å; Y140-K396 HydrophobicContact CE2-CD 4.46Å; Y140-K396 HydrophobicContact CG-CD 4.41Å; Y140-K396 VanDerWaalsContact CZ-CE 3.49Å; Y140-K396 PolarHBondContact OH-NZ 3.44Å
141E89.5Confident83.6Confident157 Ų15768 Ų6873%0.73435%0.354SS*.  trans-112.1134.6174-68.1-172.5175.800109.7
142V88.8Confident86Confident18 Ų1861.6 Ų61.611%0.10932%0.315CS..  trans-108.4141.5-178.1173.40000110.1Y140 I186 D189 L357 V360Y140-V142 HydrophobicContact CD1-CG2 3.86Å; Y140-V142 HydrophobicContact CE1-CG2 3.98Å; V142-I186 HydrophobicContact CG1-CG2 3.78Å; V142-I186 WeakPolarHBondContact CG1-O 3.22Å; V142-D189 HydrophobicContact CB-CB 4.49Å; V142-D189 HydrophobicContact CG1-CB 4.07Å; V142-D189 HydrophobicContact CG2-CB 4.23Å; V142-L357 HydrophobicContact CG2-CD2 4.43Å; V142-V360 HydrophobicContact CB-CG2 3.61Å; V142-V360 HydrophobicContact CG1-CG2 4.36Å; V142-V360 HydrophobicContact CG2-CG2 3.35Å
143Q88.1Confident88.1Confident134 Ų13459.1 Ų59.163%0.62630%0.302SS*.PPolyproline II helixtrans-98.3122.7171.6-65.4174.4-3.400109.9D189 K191Q143-D189 PolarHBondContact N-OD1 2.81Å; Q143-K191 VanDerWaalsContact OE1-NZ 3.08Å
144Y89.2Confident89.9Confident39 Ų3960.1 Ų60.115%0.15331%0.308CS..PPolyproline II helixtrans-73123.1178.2-64.4-87000110.6F50 I53 Q146 I186F50-Y144 AromaticContact CD1-CD1 3.37Å; F50-Y144 HydrophobicContact CD1-CD1 3.37Å; F50-Y144 AromaticContact CD1-CE1 3.84Å; F50-Y144 HydrophobicContact CD1-CE1 3.84Å; F50-Y144 HydrophobicContact CD1-CG 4.18Å; F50-Y144 AromaticContact CE1-CD1 3.45Å; F50-Y144 HydrophobicContact CE1-CD1 3.45Å; F50-Y144 VanDerWaalsContact CE1-CD1 3.45Å; F50-Y144 AromaticContact CE1-CE1 3.7Å; F50-Y144 HydrophobicContact CE1-CE1 3.7Å; F50-Y144 HydrophobicContact CG-CD1 4.32Å; F50-Y144 HydrophobicContact CZ-CD1 4.4Å; I53-Y144 HydrophobicContact CD1-CE1 4.49Å; I53-Y144 HydrophobicContact CG2-CD2 4.08Å; I53-Y144 HydrophobicContact CG2-CE1 4.45Å; I53-Y144 HydrophobicContact CG2-CE2 3.57Å; Y144-Q146 PolarHBondContact O-N 2.88Å; Y144-I186 HydrophobicContact CD1-CD1 4.11Å; Y144-I186 HydrophobicContact CD1-CG2 3.93Å; Y144-I186 HydrophobicContact CE1-CG2 3.69Å
145P90Very high91.1Very high18 Ų1853.6 Ų53.612%0.11728%0.283CS..PPolyproline II helixtrans-64.8125.1-175.622.5-30.6000111R54 N147 L148 I186 T213 L215R54-P145 PolarHBondContact NH2-O 2.82Å; P145-N147 VanDerWaalsContact C-N 3.33Å; P145-N147 PolarHBondContact O-N 3.04Å; P145-L148 HydrophobicContact CB-CB 4.22Å; P145-L148 HydrophobicContact CG-CB 3.71Å; P145-L148 HydrophobicContact CG-CD2 3.87Å; P145-L148 HydrophobicContact CG-CG 4.46Å; P145-L148 PolarHBondContact O-N 3.38Å; P145-I186 HydrophobicContact CG-CD1 4.12Å; P145-T213 HydrophobicContact CB-CG2 3.93Å; P145-T213 HydrophobicContact CG-CG2 3.8Å; P145-L215 HydrophobicContact CB-CD1 3.98Å
146Q90.1Very high91.8Very high162 Ų16254.6 Ų54.676%0.75730%0.298SS*.THydrogen-bonded Turntrans-61.7-36.7-173.2-68.8-178-6.300113.6Y144 L148Y144-Q146 PolarHBondContact O-N 2.88Å; Q146-L148 VanDerWaalsContact C-N 3.32Å
147N93.6Very high92.1Very high73 Ų7354.3 Ų54.339%0.3929%0.293SS..THydrogen-bonded Turntrans-75.8-21.6-178.5-63.1-42.3000112.8S30 P145 K149 T213 L214S30-N147 PolarHBondContact OG-O 3.11Å; P145-N147 VanDerWaalsContact C-N 3.33Å; P145-N147 PolarHBondContact O-N 3.04Å; N147-K149 PolarHBondContact O-N 2.92Å; N147-T213 PolarHBondContact ND2-O 2.88Å; N147-L214 HydrophobicContact CB-CD1 4.17Å; N147-L214 HydrophobicContact CB-CG 4.35Å
148L95Very high92.3Very high0 Ų059.5 Ų59.50%032%0.319CS..  trans-75117-179.8-172.464.6000109.6V27 F50 R54 P145 Q146 V150 I186 L209 C212V27-L148 HydrophobicContact CG1-CD1 3.84Å; F50-L148 HydrophobicContact CE2-CD2 3.72Å; F50-L148 HydrophobicContact CE2-CG 4Å; F50-L148 HydrophobicContact CZ-CD2 4.34Å; R54-L148 PolarHBondContact NH2-O 3.31Å; P145-L148 HydrophobicContact CB-CB 4.22Å; P145-L148 HydrophobicContact CG-CB 3.71Å; P145-L148 HydrophobicContact CG-CD2 3.87Å; P145-L148 HydrophobicContact CG-CG 4.46Å; P145-L148 PolarHBondContact O-N 3.38Å; Q146-L148 VanDerWaalsContact C-N 3.32Å; L148-V150 HydrophobicContact CG-CG2 4.14Å; L148-I186 HydrophobicContact CD2-CD1 3.88Å; L148-L209 HydrophobicContact CD1-CD2 4.21Å; L148-C212 HydrophobicContact CD1-CB 3.84Å
149K95.6Very high92.5Very high77 Ų7760.7 Ų60.734%0.33533%0.329SS..  trans-117.1120.4177.5-62.4-179.8-179.3-174.20110I28 Y38 E48 N147I28-K149 HydrophobicContact CB-CB 4.15Å; I28-K149 HydrophobicContact CD1-CB 4.12Å; I28-K149 HydrophobicContact CD1-CD 4.24Å; I28-K149 HydrophobicContact CG1-CB 4.36Å; I28-K149 PolarHBondContact N-O 3.33Å; I28-K149 VanDerWaalsContact N-O 3.08Å; Y38-K149 HydrophobicContact CD2-CD 4.07Å; Y38-K149 HydrophobicContact CE2-CD 4.44Å; E48-K149 HydrophobicContact CG-CB 4.27Å; N147-K149 PolarHBondContact O-N 2.92Å
150V96.5Very high92.7Very high0 Ų060.6 Ų60.60%033%0.327CS..EExtended strand (participates in β ladder)trans-121.5107.3-176.7-179.80000108.8A25 V27 E48 L49 F50 L148 L152 V182A25-V150 HydrophobicContact CB-CG1 3.69Å; V27-V150 HydrophobicContact CG2-CG1 4.33Å; V27-V150 HydrophobicContact CG2-CG2 4.02Å; E48-V150 WeakPolarHBondContact CA-O 3.16Å; E48-V150 PolarHBondContact OE1-N 3.49Å; E48-V150 VanDerWaalsContact OE1-N 3.13Å; L49-V150 HydrophobicContact CB-CB 4.19Å; L49-V150 HydrophobicContact CB-CG1 4.4Å; L49-V150 HydrophobicContact CD2-CG1 4.38Å; L49-V150 PolarHBondContact N-O 3.47Å; F50-V150 HydrophobicContact CD2-CB 4.48Å; F50-V150 HydrophobicContact CD2-CG2 4.15Å; F50-V150 HydrophobicContact CE2-CB 4.15Å; F50-V150 HydrophobicContact CE2-CG2 3.51Å; F50-V150 HydrophobicContact CZ-CG2 4.34Å; L148-V150 HydrophobicContact CG-CG2 4.14Å; V150-L152 HydrophobicContact CG1-CG 4.49Å; V150-V182 HydrophobicContact CG1-CG2 4.21Å; V150-V182 HydrophobicContact CG2-CG1 4.3Å; V150-V182 HydrophobicContact CG2-CG2 4.25Å
151M96.8Very high92.9Very high0 Ų059.5 Ų59.50%032%0.323CS..EExtended strand (participates in β ladder)trans-90.8136.3-177.7-51.1-56.3-69.500110.8A25 A26 I28 Y38 L41 L42 T46 F47 E48 F161A25-M151 WeakPolarHBondContact CA-O 3.39Å; A26-M151 HydrophobicContact CB-CB 4.32Å; A26-M151 PolarHBondContact N-O 3.46Å; A26-M151 PolarHBondContact O-N 2.78Å; I28-M151 HydrophobicContact CD1-CG 3.83Å; I28-M151 HydrophobicContact CD1-SD 4.06Å; I28-M151 HydrophobicContact CG1-CG 4.01Å; Y38-M151 HydrophobicContact CD2-CE 4.11Å; Y38-M151 HydrophobicContact CD2-SD 3.83Å; Y38-M151 HydrophobicContact CE2-CE 3.89Å; Y38-M151 HydrophobicContact CE2-SD 3.69Å; L41-M151 HydrophobicContact CB-CB 4.46Å; L41-M151 HydrophobicContact CB-CE 4.26Å; L41-M151 HydrophobicContact CB-CG 4.16Å; L41-M151 HydrophobicContact CD1-CB 4.23Å; L41-M151 HydrophobicContact CD1-CG 3.71Å; L42-M151 HydrophobicContact CD2-CE 3.57Å; L42-M151 HydrophobicContact CG-CE 3.94Å; T46-M151 WeakPolarHBondContact OG1-CE 3.31Å; F47-M151 WeakPolarHBondContact O-CA 3.37Å; E48-M151 HydrophobicContact CB-CE 4.42Å; E48-M151 HydrophobicContact CB-SD 3.83Å; E48-M151 HydrophobicContact CG-SD 3.83Å; M151-F161 HydrophobicContact CB-CE1 4.32Å; M151-F161 HydrophobicContact CB-CZ 4.35Å; M151-F161 VanDerWaalsContact O-CZ 3.27Å; M151-F161 WeakPolarHBondContact O-CZ 3.37Å
152L95.9Very high93.1Very high0 Ų054.8 Ų54.80%031%0.306CS..EExtended strand (participates in β ladder)trans-141.3145.8-176.1-71166.5000111.6A25 T46 F47 L49 V150 V179 I369A25-L152 HydrophobicContact CB-CD2 3.52Å; A25-L152 HydrophobicContact CB-CG 4.25Å; T46-L152 CarbonylContact C-O 3.58Å; T46-L152 WeakPolarHBondContact CA-O 3.44Å; T46-L152 VanDerWaalsContact CB-O 3.23Å; T46-L152 WeakPolarHBondContact CB-O 3.36Å; F47-L152 HydrophobicContact CD1-CB 4.36Å; F47-L152 WeakPolarHBondContact CD1-O 3.45Å; F47-L152 HydrophobicContact CE1-CB 3.83Å; F47-L152 HydrophobicContact CZ-CB 4.04Å; F47-L152 HydrophobicContact CZ-CD1 4.29Å; F47-L152 PolarHBondContact N-O 2.94Å; F47-L152 PolarHBondContact O-N 3.31Å; L49-L152 HydrophobicContact CB-CD1 3.91Å; L49-L152 HydrophobicContact CD1-CD1 3.99Å; L49-L152 HydrophobicContact CD2-CD1 4.15Å; L49-L152 HydrophobicContact CG-CD1 4.23Å; V150-L152 HydrophobicContact CG1-CG 4.49Å; L152-V179 HydrophobicContact CD1-CG2 3.75Å; L152-V179 HydrophobicContact CD2-CB 3.92Å; L152-V179 HydrophobicContact CD2-CG2 3.75Å; L152-V179 HydrophobicContact CG-CG2 4.29Å; L152-I369 HydrophobicContact CD1-CD1 4.43Å; L152-I369 HydrophobicContact CD1-CG1 4.16Å; L152-I369 HydrophobicContact CD1-CG2 4.27Å
153F95.3Very high93.3Very high7 Ų759.3 Ų59.33%0.03134%0.336CS..PPolyproline II helixtrans-72.6146.8162.3-68.7-83.9000110.5K23 L44 T46 D157 S159 F161K23-F153 WeakPolarHBondContact CE-O 3.42Å; K23-F153 PolarHBondContact NZ-O 3.17Å; L44-F153 HydrophobicContact CB-CE1 4.31Å; L44-F153 HydrophobicContact CB-CZ 4.29Å; L44-F153 VanDerWaalsContact O-CE1 3.3Å; L44-F153 WeakPolarHBondContact O-CE1 3.36Å; T46-F153 HydrophobicContact CG2-CD1 3.87Å; T46-F153 HydrophobicContact CG2-CD2 4.11Å; T46-F153 HydrophobicContact CG2-CE1 3.76Å; T46-F153 HydrophobicContact CG2-CE2 3.98Å; T46-F153 HydrophobicContact CG2-CG 4.06Å; T46-F153 HydrophobicContact CG2-CZ 3.81Å; F153-D157 HydrophobicContact CB-CB 3.95Å; F153-S159 VanDerWaalsContact CD2-O 3.26Å; F153-S159 WeakPolarHBondContact CD2-O 3.31Å; F153-S159 VanDerWaalsContact CE1-CB 3.48Å; F153-S159 WeakPolarHBondContact CE2-O 3.44Å; F153-F161 HydrophobicContact CD2-CD2 4.31Å; F153-F161 AromaticContact CD2-CE2 3.81Å; F153-F161 HydrophobicContact CD2-CE2 3.81Å; F153-F161 AromaticContact CD2-CZ 3.94Å; F153-F161 HydrophobicContact CD2-CZ 3.94Å; F153-F161 HydrophobicContact CE2-CD1 4.1Å; F153-F161 AromaticContact CE2-CD2 3.94Å; F153-F161 HydrophobicContact CE2-CD2 3.94Å; F153-F161 HydrophobicContact CE2-CE1 4.02Å; F153-F161 AromaticContact CE2-CE2 3.81Å; F153-F161 HydrophobicContact CE2-CE2 3.81Å; F153-F161 HydrophobicContact CE2-CG 4.07Å; F153-F161 AromaticContact CE2-CZ 3.85Å; F153-F161 HydrophobicContact CE2-CZ 3.85Å
154P93.5Very high93.5Very high52 Ų5254.1 Ų54.134%0.33831%0.314SS..PPolyproline II helixtrans-53.1155.5177.8-27.435.8000114.2K23 G45 F47 G156 D157K23-P154 PolarHBondContact NZ-O 3.16Å; G45-P154 WeakPolarHBondContact O-CD 3.45Å; F47-P154 HydrophobicContact CD1-CG 4.41Å; P154-G156 PolarHBondContact O-N 3.41Å; P154-D157 VanDerWaalsContact O-CB 3.27Å; P154-D157 WeakPolarHBondContact O-CB 3.38Å; P154-D157 PolarHBondContact O-N 2.86Å; P154-D157 VanDerWaalsContact O-N 3.07Å
155P92Very high93.6Very high62 Ų6256.5 Ų56.540%0.40333%0.326SS..THydrogen-bonded Turntrans-52.3137.2172.2-24.533.2000112.3D157 I369P155-D157 VanDerWaalsContact C-N 3.25Å; P155-D157 PolarHBondContact O-N 2.95Å; P155-I369 HydrophobicContact CG-CD1 3.87Å; P155-I369 HydrophobicContact CG-CG1 4.47Å
156G92.2Very high93.7Very high46 Ų4658.5 Ų58.547%0.47434%0.344SS..THydrogen-bonded Turntrans84.9-18-175.200000114.8P154 L386P154-G156 PolarHBondContact O-N 3.41Å; G156-L386 PolarHBondContact N-O 3.33Å
157D93.7Very high93.8Very high52 Ų5251.7 Ų51.728%0.27831%0.314SS..  trans-81124.6173.6-168.2-19.1000110.6K23 F153 P154 P155 S159K23-D157 PolarHBondContact NZ-O 3.18Å; F153-D157 HydrophobicContact CB-CB 3.95Å; P154-D157 VanDerWaalsContact O-CB 3.27Å; P154-D157 WeakPolarHBondContact O-CB 3.38Å; P154-D157 PolarHBondContact O-N 2.86Å; P154-D157 VanDerWaalsContact O-N 3.07Å; P155-D157 VanDerWaalsContact C-N 3.25Å; P155-D157 PolarHBondContact O-N 2.95Å; D157-S159 WeakPolarHBondContact OD1-CB 3.14Å; D157-S159 PolarHBondContact OD1-N 3.16Å; D157-S159 PolarHBondContact OD1-OG 2.77Å
158I92.2Very high93.5Very high155 Ų15553.6 Ų53.680%0.79534%0.34SS*.  trans-1017.4-177.463.1169.3000113
159S94.9Very high93.1Very high62 Ų6256.5 Ų56.543%0.43437%0.369SS..  trans-59.6144.4177.8-58.90000111.4F153 D157F153-S159 VanDerWaalsContact CD2-O 3.26Å; F153-S159 WeakPolarHBondContact CD2-O 3.31Å; F153-S159 VanDerWaalsContact CE1-CB 3.48Å; F153-S159 WeakPolarHBondContact CE2-O 3.44Å; D157-S159 WeakPolarHBondContact OD1-CB 3.14Å; D157-S159 PolarHBondContact OD1-N 3.16Å; D157-S159 PolarHBondContact OD1-OG 2.77Å
160T93.3Very high93Very high119 Ų11955.3 Ų55.373%0.7338%0.379SS*.  trans-105.6143.8179.2570000110.5
161F95Very high92.9Very high16 Ų1655.6 Ų55.67%0.0738%0.381CS..PPolyproline II helixtrans-66.4143.7170.4-69.6-84.6000110.9Y24 A26 L41 T46 M151 F153 L176Y24-F161 WeakPolarHBondContact O-CE2 3.23Å; A26-F161 HydrophobicContact CB-CD1 3.59Å; A26-F161 HydrophobicContact CB-CD2 4.24Å; A26-F161 HydrophobicContact CB-CE1 3.5Å; A26-F161 VanDerWaalsContact CB-CE1 3.5Å; A26-F161 HydrophobicContact CB-CE2 4.2Å; A26-F161 HydrophobicContact CB-CG 3.97Å; A26-F161 HydrophobicContact CB-CZ 3.84Å; L41-F161 HydrophobicContact CD2-CD1 3.84Å; L41-F161 HydrophobicContact CD2-CE1 3.97Å; T46-F161 HydrophobicContact CG2-CE1 3.65Å; T46-F161 HydrophobicContact CG2-CZ 3.83Å; M151-F161 HydrophobicContact CB-CE1 4.32Å; M151-F161 HydrophobicContact CB-CZ 4.35Å; M151-F161 VanDerWaalsContact O-CZ 3.27Å; M151-F161 WeakPolarHBondContact O-CZ 3.37Å; F153-F161 HydrophobicContact CD2-CD2 4.31Å; F153-F161 AromaticContact CD2-CE2 3.81Å; F153-F161 HydrophobicContact CD2-CE2 3.81Å; F153-F161 AromaticContact CD2-CZ 3.94Å; F153-F161 HydrophobicContact CD2-CZ 3.94Å; F153-F161 HydrophobicContact CE2-CD1 4.1Å; F153-F161 AromaticContact CE2-CD2 3.94Å; F153-F161 HydrophobicContact CE2-CD2 3.94Å; F153-F161 HydrophobicContact CE2-CE1 4.02Å; F153-F161 AromaticContact CE2-CE2 3.81Å; F153-F161 HydrophobicContact CE2-CE2 3.81Å; F153-F161 HydrophobicContact CE2-CG 4.07Å; F153-F161 AromaticContact CE2-CZ 3.85Å; F153-F161 HydrophobicContact CE2-CZ 3.85Å; F161-L176 HydrophobicContact CB-CD1 4.19Å; F161-L176 HydrophobicContact CB-CD2 3.59Å; F161-L176 HydrophobicContact CD2-CD2 4.07Å; F161-L176 HydrophobicContact CG-CD2 3.88Å
162P94Very high92.8Very high59 Ų5957.4 Ų57.438%0.38339%0.391SS..PPolyproline II helixtrans-62162.2166.225.5-29.8000110.6L44 S164 Y174L44-P162 HydrophobicContact CD1-CG 4.23Å; P162-S164 PolarHBondContact O-N 3.37Å; P162-Y174 PolarHBondContact O-OH 3.45Å
163P92.1Very high92.8Very high113 Ų11357.4 Ų57.473%0.73439%0.391SS*.PPolyproline II helixtrans-57140.7169.8-23.734.2000111.2H165 Y174P163-H165 PolarHBondContact O-N 3.29Å; P163-Y174 PolarHBondContact O-OH 3.22Å
164S92.3Very high92.9Very high24 Ų2457.3 Ų57.317%0.16839%0.39CS..PPolyproline II helixtrans-60.6137.8174-176.80000110.6P162 A173 Y174P162-S164 PolarHBondContact O-N 3.37Å; S164-A173 PolarHBondContact OG-N 2.83Å; S164-A173 VanDerWaalsContact OG-N 3.1Å; S164-Y174 WeakPolarHBondContact CB-O 3.12Å; S164-Y174 PolarHBondContact OG-N 3.39Å; S164-Y174 VanDerWaalsContact OG-N 3.08Å; S164-Y174 PolarHBondContact OG-O 2.93Å; S164-Y174 VanDerWaalsContact OG-O 3.12Å
165H91.7Very high93.1Very high89 Ų8956.5 Ų56.541%0.41238%0.381SS..PPolyproline II helixtrans-97163.5173.154.3-84.6000110.5P163 L172 A173P163-H165 PolarHBondContact O-N 3.29Å; H165-L172 WeakPolarHBondContact O-CA 3.38Å; H165-A173 PolarHBondContact O-N 2.92Å
166A92.5Very high93.3Very high60 Ų6056.3 Ų56.350%0.49638%0.376SS..BIsolated β-bridgetrans-76.7137.7171.400000110.3
167T91.4Very high93.4Very high19 Ų1954.7 Ų54.712%0.11736%0.356CS..PPolyproline II helixtrans-72.6172.5167.5600000110.3A32 G169 G170 S171 A173A32-T167 HydrophobicContact CB-CG2 4.43Å; T167-G169 PolarHBondContact O-N 2.8Å; T167-G169 VanDerWaalsContact O-N 3.13Å; T167-G170 PolarHBondContact O-N 3.12Å; T167-S171 WeakPolarHBondContact CB-O 3.46Å; T167-S171 WeakPolarHBondContact CG2-O 3.29Å; T167-S171 PolarHBondContact N-O 2.81Å; T167-S171 PolarHBondContact OG1-O 2.88Å; T167-A173 HydrophobicContact CG2-CB 3.99Å
168A88.3Confident93.4Very high114 Ų11453.5 Ų53.594%0.94235%0.35SS*.THydrogen-bonded Turntrans-55.3-30.5175.200000113.1G170A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3.44Å
169G86.7Confident93.5Very high60 Ų6046.1 Ų46.162%0.61931%0.312SS*.THydrogen-bonded Turntrans-83.47.2175.400000115T167 S171T167-G169 PolarHBondContact O-N 2.8Å; T167-G169 VanDerWaalsContact O-N 3.13Å; G169-S171 PolarHBondContact O-N 2.85Å
170G91.8Very high93.5Very high52 Ų5243.1 Ų43.154%0.53629%0.291SS..SBendtrans79.5-10.5176.600000115.7T167 A168T167-G170 PolarHBondContact O-N 3.12Å; A168-G170 VanDerWaalsContact C-N 3.29Å; A168-G170 PolarHBondContact O-N 3.44Å
171S94.5Very high93.6Very high6 Ų638.5 Ų38.54%0.04226%0.263CS..SBendtrans-79.3149.4173.4-61.50000111.1T167 G169 F238 P241T167-S171 WeakPolarHBondContact CB-O 3.46Å; T167-S171 WeakPolarHBondContact CG2-O 3.29Å; T167-S171 PolarHBondContact N-O 2.81Å; T167-S171 PolarHBondContact OG1-O 2.88Å; G169-S171 PolarHBondContact O-N 2.85Å; S171-F238 CarbonylContact C-O 3.52Å; S171-F238 WeakPolarHBondContact CA-O 3.33Å; S171-P241 WeakPolarHBondContact OG-CA 3.43Å
172L96.1Very high93.7Very high39 Ų3937.8 Ų37.820%0.20426%0.261CS..BIsolated β-bridgetrans-69.1138.7179.3-68.2-179.2000111.9N29 H165 F238 Y239N29-L172 VanDerWaalsContact CB-O 3.29Å; N29-L172 WeakPolarHBondContact CB-O 3.35Å; N29-L172 PolarHBondContact ND2-O 2.62Å; H165-L172 WeakPolarHBondContact O-CA 3.38Å; L172-F238 HydrophobicContact CD1-CB 3.96Å; L172-F238 HydrophobicContact CD1-CG 4.38Å; L172-F238 HydrophobicContact CG-CB 4.22Å; L172-F238 PolarHBondContact N-O 3.44Å; L172-Y239 HydrophobicContact CB-CD1 3.98Å; L172-Y239 HydrophobicContact CB-CE1 3.58Å; L172-Y239 HydrophobicContact CB-CE2 4.39Å; L172-Y239 HydrophobicContact CD1-CE1 4.31Å; L172-Y239 HydrophobicContact CD1-CE2 3.79Å
173A96.1Very high93.8Very high0 Ų035 Ų350%024%0.243CC..SBendtrans-68.7-33.3-173.500000114.6N29 V37 S164 H165 T167N29-A173 VanDerWaalsContact CB-O 3.26Å; N29-A173 WeakPolarHBondContact CB-O 3.36Å; N29-A173 PolarHBondContact N-O 3.26Å; V37-A173 HydrophobicContact CG1-CB 4Å; V37-A173 HydrophobicContact CG2-CB 3.88Å; S164-A173 PolarHBondContact OG-N 2.83Å; S164-A173 VanDerWaalsContact OG-N 3.1Å; H165-A173 PolarHBondContact O-N 2.92Å; T167-A173 HydrophobicContact CG2-CB 3.99Å
174Y97Very high94Very high4 Ų429.7 Ų29.72%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-156153.5178.353.4-94.6000112.1A26 V27 V37 L41 P162 P163 S164 L176 Y239A26-Y174 HydrophobicContact CB-CD2 3.75Å; A26-Y174 HydrophobicContact CB-CE2 4.3Å; A26-Y174 HydrophobicContact CB-CG 4.15Å; V27-Y174 CarbonylContact O-C 3.53Å; V27-Y174 WeakPolarHBondContact O-CA 3.43Å; V27-Y174 WeakPolarHBondContact O-CB 3.39Å; V37-Y174 HydrophobicContact CG1-CD1 3.97Å; L41-Y174 HydrophobicContact CD1-CD1 4.19Å; L41-Y174 HydrophobicContact CD2-CE1 4.2Å; P162-Y174 PolarHBondContact O-OH 3.45Å; P163-Y174 PolarHBondContact O-OH 3.22Å; S164-Y174 WeakPolarHBondContact CB-O 3.12Å; S164-Y174 PolarHBondContact OG-N 3.39Å; S164-Y174 VanDerWaalsContact OG-N 3.08Å; S164-Y174 PolarHBondContact OG-O 2.93Å; S164-Y174 VanDerWaalsContact OG-O 3.12Å; Y174-L176 HydrophobicContact CD2-CD2 3.8Å; Y174-L176 HydrophobicContact CD2-CG 4.26Å; Y174-L176 HydrophobicContact CE2-CD2 3.77Å; Y174-L176 HydrophobicContact CE2-CG 4.16Å; Y174-Y239 WeakPolarHBondContact O-CE1 3.32Å; Y174-Y239 PolarHBondContact O-OH 3.21Å
175Y96.5Very high94.3Very high36 Ų3628.7 Ų28.714%0.14120%0.201CC..EExtended strand (participates in β ladder)trans-101.3130.9177.7-165.8-75.8000110.2V27 L177 I208 T235 Y239V27-Y175 PolarHBondContact N-O 3.22Å; V27-Y175 PolarHBondContact O-N 3.28Å; Y175-L177 HydrophobicContact CD1-CB 3.97Å; Y175-L177 HydrophobicContact CD1-CD2 3.44Å; Y175-L177 VanDerWaalsContact CD1-CD2 3.44Å; Y175-L177 HydrophobicContact CD1-CG 4.32Å; Y175-L177 HydrophobicContact CE1-CB 3.95Å; Y175-L177 HydrophobicContact CE1-CD2 4.15Å; Y175-L177 HydrophobicContact CG-CD2 4.29Å; Y175-I208 HydrophobicContact CD2-CB 4.29Å; Y175-I208 HydrophobicContact CD2-CG1 4.11Å; Y175-I208 HydrophobicContact CD2-CG2 4.2Å; Y175-I208 HydrophobicContact CE2-CG1 4.36Å; Y175-I208 HydrophobicContact CG-CG2 4.36Å; Y175-T235 HydrophobicContact CD2-CG2 4.47Å; Y175-T235 HydrophobicContact CE2-CG2 3.78Å; Y175-Y239 HydrophobicContact CD2-CD1 4.36Å; Y175-Y239 AromaticContact CD2-CD2 3.96Å; Y175-Y239 HydrophobicContact CD2-CD2 3.96Å; Y175-Y239 AromaticContact CD2-CE1 3.85Å; Y175-Y239 HydrophobicContact CD2-CE1 3.85Å; Y175-Y239 AromaticContact CD2-CE2 3.41Å; Y175-Y239 HydrophobicContact CD2-CE2 3.41Å; Y175-Y239 VanDerWaalsContact CD2-CE2 3.41Å; Y175-Y239 HydrophobicContact CD2-CG 4.41Å; Y175-Y239 AromaticContact CD2-CZ 3.33Å; Y175-Y239 HydrophobicContact CE2-CD2 4.43Å; Y175-Y239 AromaticContact CE2-CE2 3.86Å; Y175-Y239 HydrophobicContact CE2-CE2 3.86Å; Y175-Y239 HydrophobicContact CG-CE1 4.26Å; Y175-Y239 HydrophobicContact CG-CE2 4.47Å; Y175-Y239 AromaticContact CG-CZ 4Å
176L96.2Very high94.5Very high57 Ų5724.6 Ų24.630%0.29818%0.182SC..EExtended strand (participates in β ladder)trans-91.6121.5174-61.6-177.3000110.6A25 A26 F161 Y174A25-L176 WeakPolarHBondContact O-CA 3.33Å; A26-L176 HydrophobicContact CB-CD2 3.83Å; F161-L176 HydrophobicContact CB-CD1 4.19Å; F161-L176 HydrophobicContact CB-CD2 3.59Å; F161-L176 HydrophobicContact CD2-CD2 4.07Å; F161-L176 HydrophobicContact CG-CD2 3.88Å; Y174-L176 HydrophobicContact CD2-CD2 3.8Å; Y174-L176 HydrophobicContact CD2-CG 4.26Å; Y174-L176 HydrophobicContact CE2-CD2 3.77Å; Y174-L176 HydrophobicContact CE2-CG 4.16Å
177L94.8Very high94.7Very high12 Ų1221.8 Ų21.86%0.06316%0.158CC..EExtended strand (participates in β ladder)trans-145.7162.3176.959.2131000111.9Y24 A25 V27 Y175 V179 V182 L209Y24-L177 CarbonylContact C-O 3.44Å; Y24-L177 WeakPolarHBondContact CA-O 3.35Å; Y24-L177 VanDerWaalsContact CD1-C 3.46Å; A25-L177 PolarHBondContact N-O 3.1Å; A25-L177 PolarHBondContact O-N 2.93Å; V27-L177 HydrophobicContact CB-CD2 4.12Å; V27-L177 HydrophobicContact CG2-CD2 3.46Å; V27-L177 VanDerWaalsContact CG2-CD2 3.46Å; V27-L177 HydrophobicContact CG2-CG 4.27Å; Y175-L177 HydrophobicContact CD1-CB 3.97Å; Y175-L177 HydrophobicContact CD1-CD2 3.44Å; Y175-L177 VanDerWaalsContact CD1-CD2 3.44Å; Y175-L177 HydrophobicContact CD1-CG 4.32Å; Y175-L177 HydrophobicContact CE1-CB 3.95Å; Y175-L177 HydrophobicContact CE1-CD2 4.15Å; Y175-L177 HydrophobicContact CG-CD2 4.29Å; L177-V179 PolarHBondContact O-N 3.2Å; L177-V182 HydrophobicContact CD1-CG2 4.03Å; L177-L209 HydrophobicContact CD1-CD1 3.76Å; L177-L209 HydrophobicContact CD1-CD2 4.29Å; L177-L209 HydrophobicContact CD1-CG 4.24Å; L177-L209 HydrophobicContact CD2-CD2 4.18Å; L177-L209 HydrophobicContact CD2-CG 4.31Å
178D94.6Very high94.9Very high27 Ų2720.9 Ų20.914%0.14415%0.153CC..EExtended strand (participates in β ladder)trans-60.4121.8168179.5-18.5000109A180 S181 C389 G390D178-A180 PolarHBondContact O-N 3.23Å; D178-A180 WeakPolarHBondContact OD1-CB 3.11Å; D178-A180 PolarHBondContact OD1-N 2.78Å; D178-S181 VanDerWaalsContact O-CB 3.26Å; D178-S181 WeakPolarHBondContact O-CB 3.42Å; D178-S181 PolarHBondContact O-N 2.93Å; D178-C389 WeakPolarHBondContact OD1-CA 3.48Å; D178-C389 WeakPolarHBondContact OD1-CB 3.28Å; D178-G390 VanDerWaalsContact CG-N 3.31Å; D178-G390 PolarHBondContact OD1-N 3.31Å; D178-G390 VanDerWaalsContact OD2-CA 3.26Å; D178-G390 WeakPolarHBondContact OD2-CA 3.32Å; D178-G390 PolarHBondContact OD2-N 2.96Å
179V93.3Very high95.3Very high0 Ų015.8 Ų15.80%011%0.11CC..G310 helixtrans-53.4-29.8-177.764.70000113.2A25 L49 L152 L177 S181 V182 I369 F370 C389A25-V179 HydrophobicContact CB-CB 3.99Å; A25-V179 HydrophobicContact CB-CG2 4.22Å; L49-V179 HydrophobicContact CD2-CG2 4.35Å; L152-V179 HydrophobicContact CD1-CG2 3.75Å; L152-V179 HydrophobicContact CD2-CB 3.92Å; L152-V179 HydrophobicContact CD2-CG2 3.75Å; L152-V179 HydrophobicContact CG-CG2 4.29Å; L177-V179 PolarHBondContact O-N 3.2Å; V179-S181 PolarHBondContact O-N 3.2Å; V179-V182 VanDerWaalsContact O-CB 3.29Å; V179-V182 WeakPolarHBondContact O-CB 3.48Å; V179-V182 WeakPolarHBondContact O-CG2 3.1Å; V179-V182 PolarHBondContact O-N 3.47Å; V179-I369 HydrophobicContact CG1-CG2 3.9Å; V179-I369 HydrophobicContact CG2-CG2 4.23Å; V179-F370 HydrophobicContact CG2-CE2 4.13Å; V179-F370 HydrophobicContact CG2-CZ 3.75Å; V179-C389 HydrophobicContact CG1-CB 3.14Å
180A95.7Very high95.8Very high0 Ų013.6 Ų13.60%08%0.084CC..G310 helixtrans-62.5-26.5176.600000112.5D178 V182 L183 V381 C389 M392D178-A180 PolarHBondContact O-N 3.23Å; D178-A180 WeakPolarHBondContact OD1-CB 3.11Å; D178-A180 PolarHBondContact OD1-N 2.78Å; A180-V182 PolarHBondContact O-N 3.28Å; A180-L183 WeakPolarHBondContact O-CB 3.33Å; A180-L183 PolarHBondContact O-N 2.93Å; A180-L183 VanDerWaalsContact O-N 3.13Å; A180-V381 HydrophobicContact CB-CB 4.36Å; A180-V381 HydrophobicContact CB-CG1 4.06Å; A180-C389 HydrophobicContact CB-CB 4.12Å; A180-M392 HydrophobicContact CB-CB 3.63Å; A180-M392 HydrophobicContact CB-CG 4.41Å; A180-M392 WeakPolarHBondContact O-CG 3.11Å
181S95.9Very high96Very high21 Ų2113.8 Ų13.815%0.1477%0.07CC..G310 helixtrans-70.5-7.8176.5-61.10000114.1D178 V179 P184 L209 M392D178-S181 VanDerWaalsContact O-CB 3.26Å; D178-S181 WeakPolarHBondContact O-CB 3.42Å; D178-S181 PolarHBondContact O-N 2.93Å; V179-S181 PolarHBondContact O-N 3.2Å; S181-P184 WeakPolarHBondContact O-CD 3.37Å; S181-L209 VanDerWaalsContact O-CD1 3.22Å; S181-L209 WeakPolarHBondContact O-CD1 3.41Å; S181-M392 WeakPolarHBondContact OG-CE 3.37Å
182V95.6Very high96.1Very high2 Ų218.6 Ų18.61%0.01210%0.101CC..Hα-helixtrans-72.9-32.5170.2179.60000111.2F50 V150 L177 V179 A180 V185 I186 L209F50-V182 HydrophobicContact CE2-CG1 4.13Å; F50-V182 HydrophobicContact CZ-CG1 3.56Å; V150-V182 HydrophobicContact CG1-CG2 4.21Å; V150-V182 HydrophobicContact CG2-CG1 4.3Å; V150-V182 HydrophobicContact CG2-CG2 4.25Å; L177-V182 HydrophobicContact CD1-CG2 4.03Å; V179-V182 VanDerWaalsContact O-CB 3.29Å; V179-V182 WeakPolarHBondContact O-CB 3.48Å; V179-V182 WeakPolarHBondContact O-CG2 3.1Å; V179-V182 PolarHBondContact O-N 3.47Å; A180-V182 PolarHBondContact O-N 3.28Å; V182-V185 PolarHBondContact O-N 3.34Å; V182-V185 VanDerWaalsContact O-N 3.1Å; V182-I186 HydrophobicContact CG1-CD1 4.44Å; V182-I186 HydrophobicContact CG1-CG1 3.82Å; V182-I186 PolarHBondContact O-N 3.44Å; V182-L209 HydrophobicContact CG2-CD1 4.31Å; V182-L209 HydrophobicContact CG2-CD2 4.07Å
183L95.9Very high96.1Very high1 Ų119.3 Ų19.31%0.00512%0.117CC..Hα-helixtrans-59.2-44.6-173.1-176.965.4000113.8A180 V185 I186 A187 V360 L364 F372 L379 V381 V394A180-L183 WeakPolarHBondContact O-CB 3.33Å; A180-L183 PolarHBondContact O-N 2.93Å; A180-L183 VanDerWaalsContact O-N 3.13Å; L183-V185 VanDerWaalsContact C-N 3.27Å; L183-V185 PolarHBondContact O-N 3.11Å; L183-I186 PolarHBondContact O-N 3.29Å; L183-A187 WeakPolarHBondContact O-CB 3.19Å; L183-A187 PolarHBondContact O-N 3.01Å; L183-V360 HydrophobicContact CD1-CG1 3.6Å; L183-L364 HydrophobicContact CD1-CD1 3.59Å; L183-F372 HydrophobicContact CD2-CE1 3.8Å; L183-F372 HydrophobicContact CD2-CZ 4.35Å; L183-L379 HydrophobicContact CD2-CB 4.46Å; L183-L379 HydrophobicContact CD2-CD1 4.41Å; L183-V381 HydrophobicContact CD2-CG2 3.77Å; L183-V394 HydrophobicContact CB-CG2 4.14Å; L183-V394 HydrophobicContact CD2-CB 4.16Å; L183-V394 HydrophobicContact CD2-CG2 3.66Å; L183-V394 HydrophobicContact CG-CB 4.27Å; L183-V394 HydrophobicContact CG-CG2 3.73Å
184P97.6Very high96.2Very high0 Ų020.8 Ų20.80%012%0.124CC..Hα-helixtrans-57.8-38.8175.2-24.132.6000113.2S181 A187 L188 K206 L272 V324 M392 V394S181-P184 WeakPolarHBondContact O-CD 3.37Å; P184-A187 PolarHBondContact O-N 2.87Å; P184-L188 WeakPolarHBondContact O-CG 3.3Å; P184-L188 PolarHBondContact O-N 3.39Å; P184-L188 VanDerWaalsContact O-N 3.1Å; P184-K206 HydrophobicContact CB-CD 4.36Å; P184-K206 HydrophobicContact CG-CD 4.4Å; P184-L272 HydrophobicContact CB-CD1 3.73Å; P184-V324 HydrophobicContact CB-CG1 4.1Å; P184-M392 HydrophobicContact CG-CG 4.23Å; P184-M392 HydrophobicContact CG-SD 3.81Å; P184-V394 HydrophobicContact CB-CG2 4.47Å; P184-V394 HydrophobicContact CG-CG2 3.75Å
185V97.3Very high96.3Very high4 Ų422 Ų222%0.02413%0.133CC..Hα-helixtrans-73.6-36.9-178.4178.90000111.6V182 L183 L188 K206 L209 I210 T213V182-V185 PolarHBondContact O-N 3.34Å; V182-V185 VanDerWaalsContact O-N 3.1Å; L183-V185 VanDerWaalsContact C-N 3.27Å; L183-V185 PolarHBondContact O-N 3.11Å; V185-L188 WeakPolarHBondContact O-CB 3.26Å; V185-L188 PolarHBondContact O-N 2.91Å; V185-K206 HydrophobicContact CG2-CB 4.17Å; V185-L209 HydrophobicContact CB-CB 4.25Å; V185-L209 HydrophobicContact CB-CD1 4.42Å; V185-L209 HydrophobicContact CG1-CB 4.14Å; V185-L209 HydrophobicContact CG2-CB 3.8Å; V185-L209 HydrophobicContact CG2-CD1 3.86Å; V185-I210 HydrophobicContact CG1-CG1 3.84Å; V185-I210 HydrophobicContact CG2-CG1 3.98Å; V185-T213 HydrophobicContact CG1-CG2 4.5Å
186I95.8Very high96.4Very high3 Ų320.3 Ų20.32%0.01513%0.126CC..Hα-helixtrans-63.6-46.5170.6-64.4-56.5000110.3F50 V142 Y144 P145 L148 V182 L183 L188 D189 V360F50-I186 HydrophobicContact CE1-CD1 3.93Å; F50-I186 HydrophobicContact CE1-CG1 4.04Å; F50-I186 HydrophobicContact CE2-CD1 4.09Å; F50-I186 HydrophobicContact CZ-CD1 3.47Å; F50-I186 VanDerWaalsContact CZ-CD1 3.47Å; F50-I186 HydrophobicContact CZ-CG1 3.68Å; V142-I186 HydrophobicContact CG1-CG2 3.78Å; V142-I186 WeakPolarHBondContact CG1-O 3.22Å; Y144-I186 HydrophobicContact CD1-CD1 4.11Å; Y144-I186 HydrophobicContact CD1-CG2 3.93Å; Y144-I186 HydrophobicContact CE1-CG2 3.69Å; P145-I186 HydrophobicContact CG-CD1 4.12Å; L148-I186 HydrophobicContact CD2-CD1 3.88Å; V182-I186 HydrophobicContact CG1-CD1 4.44Å; V182-I186 HydrophobicContact CG1-CG1 3.82Å; V182-I186 PolarHBondContact O-N 3.44Å; L183-I186 PolarHBondContact O-N 3.29Å; I186-L188 PolarHBondContact O-N 3.48Å; I186-L188 VanDerWaalsContact O-N 3.15Å; I186-D189 PolarHBondContact O-N 3.39Å; I186-V360 HydrophobicContact CG2-CG1 4Å
187A96.8Very high96.5Very high0 Ų017.6 Ų17.60%011%0.112CC..Hα-helixtrans-60.7-24.8178.900000113.2L183 P184 D189 V324 L357 V394 K396L183-A187 WeakPolarHBondContact O-CB 3.19Å; L183-A187 PolarHBondContact O-N 3.01Å; P184-A187 PolarHBondContact O-N 2.87Å; A187-D189 PolarHBondContact O-N 2.68Å; A187-V324 HydrophobicContact CB-CG1 4.21Å; A187-V324 HydrophobicContact CB-CG2 3.93Å; A187-L357 HydrophobicContact CB-CD1 3.88Å; A187-L357 HydrophobicContact CB-CD2 4.47Å; A187-V394 HydrophobicContact CB-CG1 3.7Å; A187-K396 VanDerWaalsContact O-CD 3.28Å; A187-K396 WeakPolarHBondContact O-CD 3.41Å; A187-K396 WeakPolarHBondContact O-CE 3.43Å; A187-K396 PolarHBondContact O-NZ 3.2Å
188L96.9Very high96.7Very high0 Ų017.1 Ų17.10%011%0.109CC..Hα-helixtrans-59.6-31.5174-73.4165.9000111.6P184 V185 I186 L190 I210 K270 I271 L272 V324 K396P184-L188 WeakPolarHBondContact O-CG 3.3Å; P184-L188 PolarHBondContact O-N 3.39Å; P184-L188 VanDerWaalsContact O-N 3.1Å; V185-L188 WeakPolarHBondContact O-CB 3.26Å; V185-L188 PolarHBondContact O-N 2.91Å; I186-L188 PolarHBondContact O-N 3.48Å; I186-L188 VanDerWaalsContact O-N 3.15Å; L188-L190 HydrophobicContact CB-CD2 3.98Å; L188-L190 HydrophobicContact CB-CG 4.11Å; L188-L190 HydrophobicContact CD1-CD2 4.33Å; L188-I210 HydrophobicContact CD1-CD1 4.04Å; L188-I210 HydrophobicContact CD1-CG1 4.21Å; L188-K270 HydrophobicContact CD2-CB 4.4Å; L188-K270 WeakPolarHBondContact O-CD 3.41Å; L188-K270 WeakPolarHBondContact O-CE 3.2Å; L188-I271 VanDerWaalsContact CD2-O 3.31Å; L188-I271 WeakPolarHBondContact CD2-O 3.49Å; L188-L272 HydrophobicContact CD1-CB 4.07Å; L188-L272 HydrophobicContact CD2-CB 4.22Å; L188-V324 HydrophobicContact CB-CG2 4.47Å; L188-V324 HydrophobicContact CD2-CB 3.81Å; L188-V324 HydrophobicContact CD2-CG2 3.74Å; L188-V324 HydrophobicContact CG-CB 4.21Å; L188-V324 HydrophobicContact CG-CG2 4Å; L188-K396 PolarHBondContact O-NZ 3.28Å; L188-K396 VanDerWaalsContact O-NZ 3.16Å
189D96.4Very high96.8Very high7 Ų715.8 Ų15.84%0.03710%0.102CC..  trans51.854.9-175.5-172.241.7000111.6Y140 V142 Q143 I186 A187 K191Y140-D189 HydrophobicContact CE1-CB 3.96Å; Y140-D189 PolarHBondContact OH-OD2 2.64Å; V142-D189 HydrophobicContact CB-CB 4.49Å; V142-D189 HydrophobicContact CG1-CB 4.07Å; V142-D189 HydrophobicContact CG2-CB 4.23Å; Q143-D189 PolarHBondContact N-OD1 2.81Å; I186-D189 PolarHBondContact O-N 3.39Å; A187-D189 PolarHBondContact O-N 2.68Å; D189-K191 IonicContact OD1-NZ 2.78Å; D189-K191 PolarHBondContact OD1-NZ 2.71Å; D189-K191 WeakPolarHBondContact OD2-CE 3.44Å; D189-K191 IonicContact OD2-NZ 2.81Å; D189-K191 PolarHBondContact OD2-NZ 3.32Å
190L96.9Very high97Very high15 Ų1516.4 Ų16.48%0.07911%0.106CC..  trans-57.7138.3-177.9-62.9177.2000111.1L188 V196 I210 T213 L215 P216 K270L188-L190 HydrophobicContact CB-CD2 3.98Å; L188-L190 HydrophobicContact CB-CG 4.11Å; L188-L190 HydrophobicContact CD1-CD2 4.33Å; L190-V196 HydrophobicContact CD2-CG1 4.22Å; L190-V196 HydrophobicContact CD2-CG2 3.68Å; L190-I210 HydrophobicContact CD1-CB 4.41Å; L190-I210 HydrophobicContact CD1-CG1 4.38Å; L190-I210 HydrophobicContact CD1-CG2 3.84Å; L190-T213 HydrophobicContact CD1-CG2 4.17Å; L190-L215 HydrophobicContact CB-CB 4.31Å; L190-L215 HydrophobicContact CB-CD1 4Å; L190-L215 VanDerWaalsContact O-CD1 3.3Å; L190-L215 WeakPolarHBondContact O-CD1 3.44Å; L190-P216 HydrophobicContact CD1-CG 4.36Å; L190-K270 HydrophobicContact CD2-CB 4Å; L190-K270 HydrophobicContact CD2-CG 3.93Å
191K96.3Very high97.1Very high56 Ų5616.6 Ų16.624%0.24311%0.108CC..  trans-113.1154.7172.6-51.8-57.7179.3-163.70111.2Q143 D189 G193 E194Q143-K191 VanDerWaalsContact OE1-NZ 3.08Å; D189-K191 IonicContact OD1-NZ 2.78Å; D189-K191 PolarHBondContact OD1-NZ 2.71Å; D189-K191 WeakPolarHBondContact OD2-CE 3.44Å; D189-K191 IonicContact OD2-NZ 2.81Å; D189-K191 PolarHBondContact OD2-NZ 3.32Å; K191-G193 PolarHBondContact O-N 3.04Å; K191-E194 HydrophobicContact CB-CG 3.95Å; K191-E194 PolarHBondContact N-OE2 2.98Å; K191-E194 PolarHBondContact O-N 3.44Å
192P96.7Very high97Very high107 Ų10715.7 Ų15.770%0.69510%0.102SC*.THydrogen-bonded Turntrans-56128.3177.9-21.930000112.3L215P192-L215 WeakPolarHBondContact CA-O 3.35Å; P192-L215 HydrophobicContact CB-CD2 4.44Å; P192-L215 HydrophobicContact CG-CD2 3.87Å
193G96.2Very high96.9Very high53 Ų5318.2 Ų18.255%0.54612%0.118SC..THydrogen-bonded Turntrans87.4-3.5173.900000115.9K191 L215K191-G193 PolarHBondContact O-N 3.04Å; G193-L215 PolarHBondContact N-O 2.94Å
194E97.6Very high96.8Very high31 Ų3118.1 Ų18.115%0.14512%0.117CC..  trans-65.1148.5179.2-74.2-176.214900113K191 G217 L218 D269 K270K191-E194 HydrophobicContact CB-CG 3.95Å; K191-E194 PolarHBondContact N-OE2 2.98Å; K191-E194 PolarHBondContact O-N 3.44Å; E194-G217 PolarHBondContact O-N 2.9Å; E194-L218 PolarHBondContact O-N 3.24Å; E194-D269 WeakPolarHBondContact CA-OD2 3.32Å; E194-D269 HydrophobicContact CB-CB 3.94Å; E194-D269 HydrophobicContact CG-CB 3.95Å; E194-K270 VanDerWaalsContact OE1-CE 3.25Å; E194-K270 WeakPolarHBondContact OE1-CE 3.12Å; E194-K270 IonicContact OE1-NZ 3.75Å; E194-K270 WeakPolarHBondContact OE2-CE 3.34Å; E194-K270 WeakPolarHBondContact OE2-CG 3.35Å
195T98.5Very high96.7Very high31 Ų3118.8 Ų18.819%0.1912%0.124CC..EExtended strand (participates in β ladder)trans-88.2121.2170.559.20000110.2L218 Q267 Y268 D269 K270 K318T195-L218 HydrophobicContact CG2-CB 4.13Å; T195-Q267 PolarHBondContact OG1-O 3.44Å; T195-Y268 WeakPolarHBondContact OG1-CA 3.28Å; T195-D269 PolarHBondContact N-OD2 3.03Å; T195-D269 PolarHBondContact O-N 3.48Å; T195-D269 PolarHBondContact OG1-N 3.48Å; T195-D269 PolarHBondContact OG1-OD2 2.91Å; T195-D269 VanDerWaalsContact OG1-OD2 3.12Å; T195-K270 PolarHBondContact O-N 3.24Å; T195-K318 PolarHBondContact OG1-NZ 3.4Å; T195-K318 VanDerWaalsContact OG1-NZ 3.08Å
196V98.7Very high96.7Very high0 Ų019.5 Ų19.50%013%0.127CC..EExtended strand (participates in β ladder)trans-117.7137.2-172-171.20000110.5L190 I210 P216 L218 L219 A220 K270L190-V196 HydrophobicContact CD2-CG1 4.22Å; L190-V196 HydrophobicContact CD2-CG2 3.68Å; V196-I210 HydrophobicContact CG1-CD1 4.43Å; V196-P216 HydrophobicContact CG2-CB 4.06Å; V196-P216 HydrophobicContact CG2-CG 4.14Å; V196-L218 PolarHBondContact N-O 3.05Å; V196-L219 HydrophobicContact CB-CD1 3.82Å; V196-L219 HydrophobicContact CG1-CD1 3.78Å; V196-L219 CarbonylContact O-C 3.59Å; V196-L219 WeakPolarHBondContact O-CA 3.46Å; V196-A220 PolarHBondContact O-N 3.43Å; V196-K270 CarbonylContact C-O 3.55Å; V196-K270 VanDerWaalsContact CA-O 3.26Å; V196-K270 WeakPolarHBondContact CA-O 3.43Å; V196-K270 HydrophobicContact CG1-CB 4.29Å; V196-K270 HydrophobicContact CG2-CB 4.25Å
197L98.7Very high96.8Very high0 Ų019.3 Ų19.30%013%0.126CC..EExtended strand (participates in β ladder)trans-114124.1168.4175.365.9000110.4M199 A220 N222 W262 Y268 K270 I271 L272L197-M199 HydrophobicContact CD2-CB 4.33Å; L197-M199 HydrophobicContact CD2-CG 4.28Å; L197-M199 HydrophobicContact CG-CB 4.29Å; L197-A220 CarbonylContact C-O 3.59Å; L197-A220 WeakPolarHBondContact CA-O 3.27Å; L197-A220 HydrophobicContact CD1-CB 3.7Å; L197-N222 HydrophobicContact CD1-CB 4.38Å; L197-W262 HydrophobicContact CD2-CZ2 3.9Å; L197-Y268 HydrophobicContact CB-CD1 3.69Å; L197-Y268 HydrophobicContact CB-CD2 3.87Å; L197-Y268 HydrophobicContact CB-CE1 3.79Å; L197-Y268 HydrophobicContact CB-CE2 3.96Å; L197-Y268 HydrophobicContact CB-CG 3.71Å; L197-Y268 HydrophobicContact CD1-CE2 4.41Å; L197-Y268 HydrophobicContact CD2-CD2 3.99Å; L197-Y268 HydrophobicContact CD2-CE2 3.77Å; L197-Y268 HydrophobicContact CG-CE2 4.26Å; L197-K270 PolarHBondContact N-O 2.93Å; L197-I271 HydrophobicContact CB-CG1 4.08Å; L197-I271 HydrophobicContact CB-CG2 4.33Å; L197-I271 HydrophobicContact CD2-CD1 4.35Å; L197-I271 HydrophobicContact CD2-CG2 4.21Å; L197-I271 HydrophobicContact CG-CG2 4.41Å; L197-I271 CarbonylContact O-C 3.52Å; L197-I271 WeakPolarHBondContact O-CA 3.48Å; L197-L272 PolarHBondContact O-N 3.32Å
198D98.5Very high96.9Very high1 Ų119.4 Ų19.41%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-97.499.3162.5-172-8.1000107.9C200 A201 T207 L219 A220 N222D198-C200 VanDerWaalsContact C-N 3.33Å; D198-C200 PolarHBondContact O-N 3.26Å; D198-A201 HydrophobicContact CB-CB 3.94Å; D198-A201 VanDerWaalsContact CG-CA 3.44Å; D198-A201 VanDerWaalsContact CG-CB 3.46Å; D198-A201 VanDerWaalsContact OD1-CA 3.28Å; D198-A201 WeakPolarHBondContact OD1-CA 3.34Å; D198-A201 PolarHBondContact OD1-N 3.21Å; D198-A201 WeakPolarHBondContact OD2-CA 3.34Å; D198-A201 WeakPolarHBondContact OD2-CB 3.3Å; D198-T207 PolarHBondContact OD2-N 3.22Å; D198-T207 PolarHBondContact OD2-OG1 3.38Å; D198-L219 HydrophobicContact CB-CD1 4.47Å; D198-A220 PolarHBondContact N-O 3.22Å; D198-N222 PolarHBondContact O-N 3.29Å
199M97.9Very high96.9Very high0 Ų019.5 Ų19.50%013%0.127CC..THydrogen-bonded Turntrans-75.1-23.3-164.7-161.6170.4-173.400113.1L197 N222 A257 W262 L272 V273 L309 N312L197-M199 HydrophobicContact CD2-CB 4.33Å; L197-M199 HydrophobicContact CD2-CG 4.28Å; L197-M199 HydrophobicContact CG-CB 4.29Å; M199-N222 CarbonylContact C-O 3.56Å; M199-N222 PolarHBondContact O-ND2 3.13Å; M199-N222 VanDerWaalsContact O-O 3.13Å; M199-A257 HydrophobicContact CE-CB 3.49Å; M199-A257 VanDerWaalsContact CE-CB 3.49Å; M199-A257 VanDerWaalsContact CE-O 3.31Å; M199-A257 WeakPolarHBondContact CE-O 3.16Å; M199-A257 HydrophobicContact CG-CB 3.5Å; M199-A257 VanDerWaalsContact CG-CB 3.5Å; M199-A257 HydrophobicContact SD-CB 4.24Å; M199-W262 HydrophobicContact CE-CD2 4.48Å; M199-W262 HydrophobicContact CE-CZ2 4.31Å; M199-L272 WeakPolarHBondContact CB-O 3.44Å; M199-L272 PolarHBondContact N-O 2.84Å; M199-V273 HydrophobicContact CB-CG2 4.34Å; M199-V273 HydrophobicContact SD-CG2 3.82Å; M199-L309 HydrophobicContact CE-CD2 4.21Å; M199-L309 WeakPolarHBondContact CE-O 3.37Å; M199-L309 HydrophobicContact CG-CD2 4.45Å; M199-L309 HydrophobicContact SD-CD2 4.37Å; M199-N312 HydrophobicContact CE-CB 3.7Å
200C96.9Very high97Very high12 Ų1219.1 Ų19.18%0.08113%0.125CC..THydrogen-bonded Turntrans-135.353.8-178.5-72.10000110.3D198 S202 N222 D274D198-C200 VanDerWaalsContact C-N 3.33Å; D198-C200 PolarHBondContact O-N 3.26Å; C200-S202 VanDerWaalsContact C-N 3.34Å; C200-S202 PolarHBondContact O-N 3.17Å; C200-N222 CarbonylContact C-O 3.46Å; C200-N222 WeakPolarHBondContact CA-O 3.39Å; C200-N222 PolarHBondContact N-O 2.78Å; C200-D274 WeakPolarHBondContact CB-O 3.16Å
201A97.3Very high97Very high4 Ų418.7 Ų18.73%0.03312%0.123CC..  trans-67.2-22.7-160.600000116D198 G204 T207 C221 N222 L232D198-A201 HydrophobicContact CB-CB 3.94Å; D198-A201 VanDerWaalsContact CG-CA 3.44Å; D198-A201 VanDerWaalsContact CG-CB 3.46Å; D198-A201 VanDerWaalsContact OD1-CA 3.28Å; D198-A201 WeakPolarHBondContact OD1-CA 3.34Å; D198-A201 PolarHBondContact OD1-N 3.21Å; D198-A201 WeakPolarHBondContact OD2-CA 3.34Å; D198-A201 WeakPolarHBondContact OD2-CB 3.3Å; A201-G204 WeakPolarHBondContact O-CA 3.44Å; A201-G204 PolarHBondContact O-N 2.93Å; A201-T207 PolarHBondContact O-OG1 2.84Å; A201-C221 HydrophobicContact CB-CB 3.78Å; A201-N222 PolarHBondContact N-O 2.88Å; A201-L232 HydrophobicContact CB-CD1 4.25Å; A201-L232 HydrophobicContact CB-CD2 3.8Å
202S93.5Very high97Very high3 Ų316 Ų162%0.02111%0.111CC..THydrogen-bonded Turntrans-79142.3-171.6-54.40000112.6C200 D223 R228 F229 L232C200-S202 VanDerWaalsContact C-N 3.34Å; C200-S202 PolarHBondContact O-N 3.17Å; S202-D223 WeakPolarHBondContact CB-OD2 3.31Å; S202-D223 PolarHBondContact N-OD2 3.09Å; S202-D223 WeakPolarHBondContact OG-CB 3.44Å; S202-D223 VanDerWaalsContact OG-CG 3.25Å; S202-D223 PolarHBondContact OG-OD2 3.21Å; S202-D223 VanDerWaalsContact OG-OD2 3.06Å; S202-R228 VanDerWaalsContact CB-C 3.45Å; S202-R228 VanDerWaalsContact CB-O 3.28Å; S202-R228 WeakPolarHBondContact CB-O 3.49Å; S202-R228 PolarHBondContact O-NH2 3.29Å; S202-R228 PolarHBondContact OG-O 3.17Å; S202-R228 VanDerWaalsContact OG-O 3.07Å; S202-F229 WeakPolarHBondContact OG-CA 3.48Å; S202-F229 PolarHBondContact OG-N 3.44Å; S202-L232 WeakPolarHBondContact OG-CB 3.42Å
203P94.5Very high97Very high54 Ų5411 Ų1135%0.3518%0.078SC..THydrogen-bonded Turncis-87.36.812.534.7-37.4000115.4R231 L232 T235P203-R231 HydrophobicContact CB-CB 4.08Å; P203-L232 WeakPolarHBondContact O-CA 3.23Å; P203-T235 WeakPolarHBondContact O-CB 3.31Å; P203-T235 PolarHBondContact O-OG1 3.37Å
204G94.2Very high97Very high0 Ų011.5 Ų11.50%07%0.068CC..  trans107.54.6174.500000115.4A201 T207 I208A201-G204 WeakPolarHBondContact O-CA 3.44Å; A201-G204 PolarHBondContact O-N 2.93Å; G204-T207 WeakPolarHBondContact O-CB 3.42Å; G204-T207 PolarHBondContact O-N 2.59Å; G204-I208 WeakPolarHBondContact O-CG1 3.49Å; G204-I208 PolarHBondContact O-N 3.32Å
205G95.7Very high97Very high13 Ų1311.7 Ų11.713%0.1347%0.07CC..Hα-helixtrans-60.1-49.2-17900000112.8I208 L209G205-I208 PolarHBondContact O-N 3.32Å; G205-L209 PolarHBondContact O-N 2.95Å; G205-L209 VanDerWaalsContact O-N 3.08Å
206K97.6Very high96.9Very high19 Ų1910.6 Ų10.68%0.0836%0.063CC..Hα-helixtrans-70.4-32.5175.9-61.8-173.1-179.670.10112.5P184 V185 I208 L209 I210 L272 D274P184-K206 HydrophobicContact CB-CD 4.36Å; P184-K206 HydrophobicContact CG-CD 4.4Å; V185-K206 HydrophobicContact CG2-CB 4.17Å; K206-I208 PolarHBondContact O-N 3.18Å; K206-L209 HydrophobicContact CG-CD1 4.5Å; K206-L209 WeakPolarHBondContact O-CB 3.32Å; K206-L209 PolarHBondContact O-N 2.88Å; K206-I210 VanDerWaalsContact O-CG1 3.31Å; K206-I210 WeakPolarHBondContact O-CG1 3.08Å; K206-I210 PolarHBondContact O-N 2.87Å; K206-L272 HydrophobicContact CB-CD2 3.78Å; K206-L272 HydrophobicContact CD-CD2 3.82Å; K206-L272 HydrophobicContact CG-CD2 4.44Å; K206-D274 HydrophobicContact CD-CB 3.94Å; K206-D274 VanDerWaalsContact CE-CG 3.46Å; K206-D274 WeakPolarHBondContact CE-OD1 3.23Å; K206-D274 WeakPolarHBondContact CE-OD2 3.16Å; K206-D274 IonicContact NZ-OD1 2.76Å; K206-D274 PolarHBondContact NZ-OD1 3.24Å; K206-D274 IonicContact NZ-OD2 3.99Å; K206-D274 PolarHBondContact NZ-OD2 3.48Å
207T98Very high96.8Very high0 Ų011.9 Ų11.90%08%0.076CC..Hα-helixtrans-58.7-45.6169.9-46.60000112D198 A201 G204 I210 L211 L219 C221 L232 L236D198-T207 PolarHBondContact OD2-N 3.22Å; D198-T207 PolarHBondContact OD2-OG1 3.38Å; A201-T207 PolarHBondContact O-OG1 2.84Å; G204-T207 WeakPolarHBondContact O-CB 3.42Å; G204-T207 PolarHBondContact O-N 2.59Å; T207-I210 PolarHBondContact O-N 2.84Å; T207-L211 HydrophobicContact CG2-CD1 4.31Å; T207-L211 WeakPolarHBondContact O-CG 3.44Å; T207-L211 PolarHBondContact O-N 3.31Å; T207-L219 HydrophobicContact CG2-CD2 3.83Å; T207-C221 HydrophobicContact CG2-CB 4.47Å; T207-C221 WeakPolarHBondContact CG2-SG 3.46Å; T207-L232 HydrophobicContact CG2-CD1 4.36Å; T207-L236 HydrophobicContact CG2-CD2 4.09Å
208I97.4Very high96.8Very high2 Ų214.6 Ų14.61%0.019%0.091CC..Hα-helixtrans-65-41176.5-66.3-51.7000111.3Y175 G204 G205 K206 I210 L211 C212 T235 L236 Y239Y175-I208 HydrophobicContact CD2-CB 4.29Å; Y175-I208 HydrophobicContact CD2-CG1 4.11Å; Y175-I208 HydrophobicContact CD2-CG2 4.2Å; Y175-I208 HydrophobicContact CE2-CG1 4.36Å; Y175-I208 HydrophobicContact CG-CG2 4.36Å; G204-I208 WeakPolarHBondContact O-CG1 3.49Å; G204-I208 PolarHBondContact O-N 3.32Å; G205-I208 PolarHBondContact O-N 3.32Å; K206-I208 PolarHBondContact O-N 3.18Å; I208-I210 PolarHBondContact O-N 3.15Å; I208-L211 HydrophobicContact CD1-CD1 4.29Å; I208-L211 PolarHBondContact O-N 2.86Å; I208-C212 WeakPolarHBondContact O-CB 3.24Å; I208-C212 PolarHBondContact O-N 3.13Å; I208-C212 PolarHBondContact O-SG 3.29Å; I208-T235 HydrophobicContact CD1-CG2 3.97Å; I208-T235 HydrophobicContact CG1-CG2 3.51Å; I208-L236 HydrophobicContact CD1-CD2 4.09Å; I208-Y239 HydrophobicContact CD1-CG 4.2Å; I208-Y239 HydrophobicContact CG1-CD2 4.45Å; I208-Y239 HydrophobicContact CG1-CG 4.33Å; I208-Y239 HydrophobicContact CG2-CD1 4.41Å; I208-Y239 HydrophobicContact CG2-CG 4.47Å
209L97.4Very high96.8Very high1 Ų114.6 Ų14.61%0.0059%0.091CC..Hα-helixtrans-55.7-49.6172.6-75.7174.2000111.8V27 L148 L177 S181 V182 V185 G205 K206 L211 C212 T213V27-L209 HydrophobicContact CB-CD2 4.25Å; V27-L209 HydrophobicContact CG1-CD2 3.9Å; V27-L209 HydrophobicContact CG2-CD2 3.7Å; L148-L209 HydrophobicContact CD1-CD2 4.21Å; L177-L209 HydrophobicContact CD1-CD1 3.76Å; L177-L209 HydrophobicContact CD1-CD2 4.29Å; L177-L209 HydrophobicContact CD1-CG 4.24Å; L177-L209 HydrophobicContact CD2-CD2 4.18Å; L177-L209 HydrophobicContact CD2-CG 4.31Å; S181-L209 VanDerWaalsContact O-CD1 3.22Å; S181-L209 WeakPolarHBondContact O-CD1 3.41Å; V182-L209 HydrophobicContact CG2-CD1 4.31Å; V182-L209 HydrophobicContact CG2-CD2 4.07Å; V185-L209 HydrophobicContact CB-CB 4.25Å; V185-L209 HydrophobicContact CB-CD1 4.42Å; V185-L209 HydrophobicContact CG1-CB 4.14Å; V185-L209 HydrophobicContact CG2-CB 3.8Å; V185-L209 HydrophobicContact CG2-CD1 3.86Å; G205-L209 PolarHBondContact O-N 2.95Å; G205-L209 VanDerWaalsContact O-N 3.08Å; K206-L209 HydrophobicContact CG-CD1 4.5Å; K206-L209 WeakPolarHBondContact O-CB 3.32Å; K206-L209 PolarHBondContact O-N 2.88Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 2.8Å; L209-C212 PolarHBondContact O-N 3.18Å; L209-T213 PolarHBondContact O-N 3.49Å
210I98Very high96.8Very high0 Ų014.6 Ų14.60%09%0.091CC..Hα-helixtrans-57.9-47.7177.7-70.5167.1000110V185 L188 L190 V196 K206 T207 I208 C212 T213 P216 L219 L272V185-I210 HydrophobicContact CG1-CG1 3.84Å; V185-I210 HydrophobicContact CG2-CG1 3.98Å; L188-I210 HydrophobicContact CD1-CD1 4.04Å; L188-I210 HydrophobicContact CD1-CG1 4.21Å; L190-I210 HydrophobicContact CD1-CB 4.41Å; L190-I210 HydrophobicContact CD1-CG1 4.38Å; L190-I210 HydrophobicContact CD1-CG2 3.84Å; V196-I210 HydrophobicContact CG1-CD1 4.43Å; K206-I210 VanDerWaalsContact O-CG1 3.31Å; K206-I210 WeakPolarHBondContact O-CG1 3.08Å; K206-I210 PolarHBondContact O-N 2.87Å; T207-I210 PolarHBondContact O-N 2.84Å; I208-I210 PolarHBondContact O-N 3.15Å; I210-C212 VanDerWaalsContact C-N 3.35Å; I210-C212 PolarHBondContact O-N 3.16Å; I210-T213 WeakPolarHBondContact O-CB 3.13Å; I210-T213 WeakPolarHBondContact O-CG2 3.49Å; I210-T213 PolarHBondContact O-N 3.35Å; I210-T213 PolarHBondContact O-OG1 3.38Å; I210-P216 HydrophobicContact CG2-CG 3.65Å; I210-L219 HydrophobicContact CB-CD2 4.4Å; I210-L219 HydrophobicContact CD1-CD1 4.42Å; I210-L219 HydrophobicContact CG2-CD1 3.95Å; I210-L219 HydrophobicContact CG2-CD2 3.86Å; I210-L219 HydrophobicContact CG2-CG 4.49Å; I210-L272 HydrophobicContact CD1-CD2 4.03Å
211L97.4Very high96.9Very high6 Ų614 Ų143%0.0319%0.087CC..Hα-helixtrans-63.4-37.5178.9-71.9170.9000112.8M31 T207 I208 L209 T213 L214 L219 L236 V240 I250M31-L211 HydrophobicContact CE-CB 4.01Å; M31-L211 HydrophobicContact SD-CB 3.76Å; T207-L211 HydrophobicContact CG2-CD1 4.31Å; T207-L211 WeakPolarHBondContact O-CG 3.44Å; T207-L211 PolarHBondContact O-N 3.31Å; I208-L211 HydrophobicContact CD1-CD1 4.29Å; I208-L211 PolarHBondContact O-N 2.86Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-L211 PolarHBondContact O-N 2.8Å; L211-T213 PolarHBondContact O-N 2.84Å; L211-L214 WeakPolarHBondContact O-CD2 3.14Å; L211-L214 PolarHBondContact O-N 2.96Å; L211-L219 HydrophobicContact CD1-CD2 4.32Å; L211-L219 HydrophobicContact CD2-CD2 3.67Å; L211-L219 HydrophobicContact CG-CD2 3.67Å; L211-L236 HydrophobicContact CD1-CD2 3.71Å; L211-V240 HydrophobicContact CD1-CG2 3.84Å; L211-I250 HydrophobicContact CD1-CD1 3.76Å; L211-I250 HydrophobicContact CD1-CG1 4.46Å; L211-I250 HydrophobicContact CD2-CD1 3.91Å; L211-I250 HydrophobicContact CD2-CG1 3.96Å
212C97Very high96.9Very high0 Ų014 Ų140%09%0.086CC..Hα-helixtrans-66.2-14.5177.3-69.60000113.5V27 L148 I208 L209 I210 L214V27-C212 HydrophobicContact CG1-CB 4.47Å; L148-C212 HydrophobicContact CD1-CB 3.84Å; I208-C212 WeakPolarHBondContact O-CB 3.24Å; I208-C212 PolarHBondContact O-N 3.13Å; I208-C212 PolarHBondContact O-SG 3.29Å; L209-C212 PolarHBondContact O-N 3.18Å; I210-C212 VanDerWaalsContact C-N 3.35Å; I210-C212 PolarHBondContact O-N 3.16Å; C212-L214 PolarHBondContact O-N 3.39Å
213T96.4Very high97Very high2 Ų213.9 Ų13.91%0.0129%0.085CC..THydrogen-bonded Turntrans-69.8-25.517071.70000112.3P145 N147 V185 L190 L209 I210 L211 L215P145-T213 HydrophobicContact CB-CG2 3.93Å; P145-T213 HydrophobicContact CG-CG2 3.8Å; N147-T213 PolarHBondContact ND2-O 2.88Å; V185-T213 HydrophobicContact CG1-CG2 4.5Å; L190-T213 HydrophobicContact CD1-CG2 4.17Å; L209-T213 PolarHBondContact O-N 3.49Å; I210-T213 WeakPolarHBondContact O-CB 3.13Å; I210-T213 WeakPolarHBondContact O-CG2 3.49Å; I210-T213 PolarHBondContact O-N 3.35Å; I210-T213 PolarHBondContact O-OG1 3.38Å; L211-T213 PolarHBondContact O-N 2.84Å; T213-L215 WeakPolarHBondContact O-CG 3.44Å; T213-L215 PolarHBondContact O-N 3.04Å; T213-L215 PolarHBondContact OG1-N 3.1Å
214L96.2Very high97Very high62 Ų6216.4 Ų16.433%0.3259%0.091SC..THydrogen-bonded Turntrans59.717.8-172.9-51176.5000114.4M31 N147 L211 C212 L246M31-L214 HydrophobicContact CG-CD2 3.76Å; N147-L214 HydrophobicContact CB-CD1 4.17Å; N147-L214 HydrophobicContact CB-CG 4.35Å; L211-L214 WeakPolarHBondContact O-CD2 3.14Å; L211-L214 PolarHBondContact O-N 2.96Å; C212-L214 PolarHBondContact O-N 3.39Å; L214-L246 HydrophobicContact CD2-CD1 3.77Å
215L96.5Very high96.9Very high35 Ų3517.9 Ų17.918%0.18310%0.099CC..  trans-91.2-39.3-176-61.2174.7000115.4P145 L190 P192 G193 T213 G217P145-L215 HydrophobicContact CB-CD1 3.98Å; L190-L215 HydrophobicContact CB-CB 4.31Å; L190-L215 HydrophobicContact CB-CD1 4Å; L190-L215 VanDerWaalsContact O-CD1 3.3Å; L190-L215 WeakPolarHBondContact O-CD1 3.44Å; P192-L215 WeakPolarHBondContact CA-O 3.35Å; P192-L215 HydrophobicContact CB-CD2 4.44Å; P192-L215 HydrophobicContact CG-CD2 3.87Å; G193-L215 PolarHBondContact N-O 2.94Å; T213-L215 WeakPolarHBondContact O-CG 3.44Å; T213-L215 PolarHBondContact O-N 3.04Å; T213-L215 PolarHBondContact OG1-N 3.1Å; L215-G217 PolarHBondContact O-N 2.8Å
216P96.9Very high96.8Very high8 Ų820.6 Ų20.65%0.05211%0.114CC..  trans-57.1137.2-173.1-27.134.2000113.9L190 V196 I210 L219 K249L190-P216 HydrophobicContact CD1-CG 4.36Å; V196-P216 HydrophobicContact CG2-CB 4.06Å; V196-P216 HydrophobicContact CG2-CG 4.14Å; I210-P216 HydrophobicContact CG2-CG 3.65Å; P216-L219 HydrophobicContact CB-CB 4.49Å; P216-K249 WeakPolarHBondContact O-CD 3.36Å; P216-K249 PolarHBondContact O-NZ 3Å
217G97.2Very high96.6Very high27 Ų2727.9 Ų27.928%0.27814%0.141SC..SBendtrans-76.2-39.3165.500000111.4E194 L215 K249E194-G217 PolarHBondContact O-N 2.9Å; L215-G217 PolarHBondContact O-N 2.8Å; G217-K249 WeakPolarHBondContact O-CD 3.38Å; G217-K249 WeakPolarHBondContact O-CG 3.47Å
218L98.2Very high96.3Very high58 Ų5831.3 Ų31.330%0.30415%0.154SC..EExtended strand (participates in β ladder)trans-144.7140.3173.5-178.6146.9000109.2E194 T195 V196 A220 K249 V251 Y268E194-L218 PolarHBondContact O-N 3.24Å; T195-L218 HydrophobicContact CG2-CB 4.13Å; V196-L218 PolarHBondContact N-O 3.05Å; L218-A220 HydrophobicContact CD2-CB 4.28Å; L218-K249 CarbonylContact C-O 3.03Å; L218-K249 WeakPolarHBondContact CA-O 3.42Å; L218-V251 HydrophobicContact CD1-CG2 4.12Å; L218-V251 HydrophobicContact CD2-CG2 4.47Å; L218-V251 HydrophobicContact CG-CG2 4.29Å; L218-Y268 HydrophobicContact CD2-CE1 4.39Å
219L98.5Very high96.2Very high1 Ų131.9 Ų31.91%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-125.7108.3173.3178.360.3000109.7V196 D198 T207 I210 L211 P216 K249 I250 V251V196-L219 HydrophobicContact CB-CD1 3.82Å; V196-L219 HydrophobicContact CG1-CD1 3.78Å; V196-L219 CarbonylContact O-C 3.59Å; V196-L219 WeakPolarHBondContact O-CA 3.46Å; D198-L219 HydrophobicContact CB-CD1 4.47Å; T207-L219 HydrophobicContact CG2-CD2 3.83Å; I210-L219 HydrophobicContact CB-CD2 4.4Å; I210-L219 HydrophobicContact CD1-CD1 4.42Å; I210-L219 HydrophobicContact CG2-CD1 3.95Å; I210-L219 HydrophobicContact CG2-CD2 3.86Å; I210-L219 HydrophobicContact CG2-CG 4.49Å; L211-L219 HydrophobicContact CD1-CD2 4.32Å; L211-L219 HydrophobicContact CD2-CD2 3.67Å; L211-L219 HydrophobicContact CG-CD2 3.67Å; P216-L219 HydrophobicContact CB-CB 4.49Å; L219-K249 PolarHBondContact N-O 2.69Å; L219-I250 CarbonylContact O-C 3.51Å; L219-I250 WeakPolarHBondContact O-CA 3.44Å; L219-V251 PolarHBondContact O-N 3.32Å
220A98.5Very high96.1Very high0 Ų035.1 Ų35.10%018%0.179CC..EExtended strand (participates in β ladder)trans-85.6125.5168.900000109.5V196 L197 D198 L218 V251 K253 Y268V196-A220 PolarHBondContact O-N 3.43Å; L197-A220 CarbonylContact C-O 3.59Å; L197-A220 WeakPolarHBondContact CA-O 3.27Å; L197-A220 HydrophobicContact CD1-CB 3.7Å; D198-A220 PolarHBondContact N-O 3.22Å; L218-A220 HydrophobicContact CD2-CB 4.28Å; A220-V251 CarbonylContact C-O 3.56Å; A220-V251 WeakPolarHBondContact CA-O 3.47Å; A220-V251 HydrophobicContact CB-CB 4.5Å; A220-K253 HydrophobicContact CB-CD 4.48Å; A220-Y268 HydrophobicContact CB-CE1 3.75Å; A220-Y268 WeakPolarHBondContact CB-OH 3.37Å
221C98.4Very high96.1Very high0 Ų042.9 Ų42.90%021%0.209CC..EExtended strand (participates in β ladder)trans-114.3115.9176.8-44.10000109.1A201 T207 L232 V251 L252 K253A201-C221 HydrophobicContact CB-CB 3.78Å; T207-C221 HydrophobicContact CG2-CB 4.47Å; T207-C221 WeakPolarHBondContact CG2-SG 3.46Å; C221-L232 HydrophobicContact CB-CD2 3.91Å; C221-V251 PolarHBondContact N-O 2.72Å; C221-L252 HydrophobicContact CB-CD2 3.9Å; C221-K253 PolarHBondContact O-N 3.27Å
222N98.2Very high96Very high2 Ų242.6 Ų42.61%0.01121%0.207CC..EExtended strand (participates in β ladder)trans-114.3137.6-178.1-176.872.1000112.2L197 D198 M199 C200 A201 K253 K255L197-N222 HydrophobicContact CD1-CB 4.38Å; D198-N222 PolarHBondContact O-N 3.29Å; M199-N222 CarbonylContact C-O 3.56Å; M199-N222 PolarHBondContact O-ND2 3.13Å; M199-N222 VanDerWaalsContact O-O 3.13Å; C200-N222 CarbonylContact C-O 3.46Å; C200-N222 WeakPolarHBondContact CA-O 3.39Å; C200-N222 PolarHBondContact N-O 2.78Å; A201-N222 PolarHBondContact N-O 2.88Å; N222-K253 WeakPolarHBondContact CA-O 3.36Å; N222-K253 HydrophobicContact CB-CB 4.15Å; N222-K253 WeakPolarHBondContact OD1-CB 3.38Å; N222-K253 PolarHBondContact OD1-O 2.81Å; N222-K255 PolarHBondContact ND2-O 2.81Å; N222-K255 PolarHBondContact OD1-N 2.48Å; N222-K255 PolarHBondContact OD1-O 2.76Å
223D95.9Very high96Very high2 Ų247 Ų471%0.01123%0.226CC..  trans-155.7133.4162.1-162-63.2000108.9S202 D225 R228 F229 K253 R254S202-D223 WeakPolarHBondContact CB-OD2 3.31Å; S202-D223 PolarHBondContact N-OD2 3.09Å; S202-D223 WeakPolarHBondContact OG-CB 3.44Å; S202-D223 VanDerWaalsContact OG-CG 3.25Å; S202-D223 PolarHBondContact OG-OD2 3.21Å; S202-D223 VanDerWaalsContact OG-OD2 3.06Å; D223-D225 PolarHBondContact OD1-N 2.67Å; D223-R228 IonicContact OD2-CZ 2.98Å; D223-R228 IonicContact OD2-NE 3.14Å; D223-R228 PolarHBondContact OD2-NE 2.84Å; D223-R228 IonicContact OD2-NH1 2.76Å; D223-R228 IonicContact OD2-NH2 3.32Å; D223-F229 HydrophobicContact CB-CD2 4.26Å; D223-K253 PolarHBondContact N-O 3.14Å; D223-R254 WeakPolarHBondContact O-CA 3.37Å; D223-R254 VanDerWaalsContact O-CG 3.23Å; D223-R254 WeakPolarHBondContact O-CG 3.31Å
224F93.5Very high96Very high107 Ų10754.2 Ų54.247%0.46925%0.253SS..  trans-80.1-29.7-175.276.6-89.9000113.1D256F224-D256 HydrophobicContact CB-CB 4.32Å
225D92.2Very high96.1Very high30 Ų3052.1 Ų52.116%0.1624%0.243CC..  trans-76.9123.2-174.6173.9-79.6000110D223 R227 R228 F229D223-D225 PolarHBondContact OD1-N 2.67Å; D225-R227 VanDerWaalsContact C-N 3.29Å; D225-R227 PolarHBondContact O-N 2.82Å; D225-R227 WeakPolarHBondContact OD1-CA 3.47Å; D225-R227 VanDerWaalsContact OD1-CB 3.31Å; D225-R227 WeakPolarHBondContact OD1-CB 3.44Å; D225-R227 PolarHBondContact OD1-N 3.34Å; D225-R227 IonicContact OD2-NE 3.91Å; D225-R227 IonicContact OD2-NH2 3.81Å; D225-R228 HydrophobicContact CB-CB 4.02Å; D225-R228 HydrophobicContact CB-CG 4.14Å; D225-R228 PolarHBondContact O-N 3.28Å; D225-R228 WeakPolarHBondContact OD1-CB 3.33Å; D225-R228 PolarHBondContact OD1-N 3.31Å; D225-F229 WeakPolarHBondContact O-CB 3.39Å; D225-F229 PolarHBondContact O-N 3.13Å
226P93.7Very high96.1Very high70 Ų7051.1 Ų51.146%0.45524%0.238SC..Hα-helixtrans-65.3-29.6-173.624.9-34000113.6S230P226-S230 WeakPolarHBondContact O-CB 3.48Å; P226-S230 PolarHBondContact O-N 3.26Å; P226-S230 PolarHBondContact O-OG 2.97Å
227R92.3Very high96Very high172 Ų17256.9 Ų56.965%0.64926%0.264SS*.Hα-helixtrans-74.5-47179.7-61.9177.4-68.2179.1-2.2110.1D225 S230 R231D225-R227 VanDerWaalsContact C-N 3.29Å; D225-R227 PolarHBondContact O-N 2.82Å; D225-R227 WeakPolarHBondContact OD1-CA 3.47Å; D225-R227 VanDerWaalsContact OD1-CB 3.31Å; D225-R227 WeakPolarHBondContact OD1-CB 3.44Å; D225-R227 PolarHBondContact OD1-N 3.34Å; D225-R227 IonicContact OD2-NE 3.91Å; D225-R227 IonicContact OD2-NH2 3.81Å; R227-S230 WeakPolarHBondContact O-CB 3.5Å; R227-S230 PolarHBondContact O-N 3.5Å; R227-R231 PolarHBondContact O-N 2.62Å
228R92.9Very high96Very high72 Ų7259.9 Ų59.927%0.27227%0.269SS..Hα-helixtrans-59-48.3173.5-74.8-17273.7-1700110.9S202 D223 D225 S230 R231 L232S202-R228 VanDerWaalsContact CB-C 3.45Å; S202-R228 VanDerWaalsContact CB-O 3.28Å; S202-R228 WeakPolarHBondContact CB-O 3.49Å; S202-R228 PolarHBondContact O-NH2 3.29Å; S202-R228 PolarHBondContact OG-O 3.17Å; S202-R228 VanDerWaalsContact OG-O 3.07Å; D223-R228 IonicContact OD2-CZ 2.98Å; D223-R228 IonicContact OD2-NE 3.14Å; D223-R228 PolarHBondContact OD2-NE 2.84Å; D223-R228 IonicContact OD2-NH1 2.76Å; D223-R228 IonicContact OD2-NH2 3.32Å; D225-R228 HydrophobicContact CB-CB 4.02Å; D225-R228 HydrophobicContact CB-CG 4.14Å; D225-R228 PolarHBondContact O-N 3.28Å; D225-R228 WeakPolarHBondContact OD1-CB 3.33Å; D225-R228 PolarHBondContact OD1-N 3.31Å; R228-S230 VanDerWaalsContact C-N 3.27Å; R228-S230 PolarHBondContact O-N 3.18Å; R228-R231 WeakPolarHBondContact O-CA 3.31Å; R228-R231 VanDerWaalsContact O-CB 3.32Å; R228-R231 WeakPolarHBondContact O-CB 3.45Å; R228-R231 PolarHBondContact O-N 3.44Å; R228-L232 PolarHBondContact O-N 2.82Å
229F95.1Very high95.9Very high14 Ų1458.1 Ų58.16%0.06126%0.259CS..Hα-helixtrans-60.2-35.1177.5-169.4-113.8000112.9S202 D223 D225 R231 L232 K233 L252 K253 R254S202-F229 WeakPolarHBondContact OG-CA 3.48Å; S202-F229 PolarHBondContact OG-N 3.44Å; D223-F229 HydrophobicContact CB-CD2 4.26Å; D225-F229 WeakPolarHBondContact O-CB 3.39Å; D225-F229 PolarHBondContact O-N 3.13Å; F229-R231 VanDerWaalsContact C-N 3.34Å; F229-L232 HydrophobicContact CD2-CD2 4.06Å; F229-L232 HydrophobicContact CE2-CD2 4.22Å; F229-L232 WeakPolarHBondContact O-CB 3.46Å; F229-L232 PolarHBondContact O-N 3.39Å; F229-K233 HydrophobicContact CE1-CD 4.39Å; F229-K233 PolarHBondContact O-N 2.99Å; F229-L252 HydrophobicContact CE2-CB 4.27Å; F229-L252 HydrophobicContact CZ-CB 3.87Å; F229-K253 WeakPolarHBondContact CE2-O 3.45Å; F229-R254 HydrophobicContact CD1-CB 4.37Å; F229-R254 HydrophobicContact CD1-CG 4.3Å; F229-R254 HydrophobicContact CE1-CB 4.14Å; F229-R254 HydrophobicContact CE2-CB 4.4Å; F229-R254 HydrophobicContact CG-CG 4.33Å; F229-R254 HydrophobicContact CZ-CB 4.17Å
230S96.3Very high95.8Very high70 Ų7058.1 Ų58.149%0.4926%0.259SS..Hα-helixtrans-65.4-36.4173-61.20000112.4P226 R227 R228 K233 R234P226-S230 WeakPolarHBondContact O-CB 3.48Å; P226-S230 PolarHBondContact O-N 3.26Å; P226-S230 PolarHBondContact O-OG 2.97Å; R227-S230 WeakPolarHBondContact O-CB 3.5Å; R227-S230 PolarHBondContact O-N 3.5Å; R228-S230 VanDerWaalsContact C-N 3.27Å; R228-S230 PolarHBondContact O-N 3.18Å; S230-K233 PolarHBondContact O-N 3Å; S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.11Å
231R96.2Very high95.6Very high162 Ų16258.7 Ų58.761%0.61126%0.263SS*.Hα-helixtrans-65.9-42.3173-61.9174.776.1178.84.8111.2P203 R227 R228 F229 K233 R234 T235P203-R231 HydrophobicContact CB-CB 4.08Å; R227-R231 PolarHBondContact O-N 2.62Å; R228-R231 WeakPolarHBondContact O-CA 3.31Å; R228-R231 VanDerWaalsContact O-CB 3.32Å; R228-R231 WeakPolarHBondContact O-CB 3.45Å; R228-R231 PolarHBondContact O-N 3.44Å; F229-R231 VanDerWaalsContact C-N 3.34Å; R231-K233 PolarHBondContact O-N 3.16Å; R231-R234 PolarHBondContact O-N 3.2Å; R231-T235 PolarHBondContact O-N 3.36Å; R231-T235 PolarHBondContact O-OG1 2.82Å; R231-T235 VanDerWaalsContact O-OG1 3.08Å
232L96.7Very high95.2Very high0 Ų064 Ų640%030%0.295CS..Hα-helixtrans-56.5-49.4174172.364.8000111.9A201 S202 P203 T207 C221 R228 F229 R234 T235 L236 L252A201-L232 HydrophobicContact CB-CD1 4.25Å; A201-L232 HydrophobicContact CB-CD2 3.8Å; S202-L232 WeakPolarHBondContact OG-CB 3.42Å; P203-L232 WeakPolarHBondContact O-CA 3.23Å; T207-L232 HydrophobicContact CG2-CD1 4.36Å; C221-L232 HydrophobicContact CB-CD2 3.91Å; R228-L232 PolarHBondContact O-N 2.82Å; F229-L232 HydrophobicContact CD2-CD2 4.06Å; F229-L232 HydrophobicContact CE2-CD2 4.22Å; F229-L232 WeakPolarHBondContact O-CB 3.46Å; F229-L232 PolarHBondContact O-N 3.39Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 3.18Å; L232-T235 WeakPolarHBondContact O-CB 3.46Å; L232-T235 PolarHBondContact O-N 3.1Å; L232-L236 HydrophobicContact CD1-CD1 4.14Å; L232-L236 HydrophobicContact CD1-CG 4.3Å; L232-L236 HydrophobicContact CG-CD1 4.22Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 3.2Å; L232-L252 HydrophobicContact CD2-CD2 4.39Å
233K96.9Very high94.7Very high92 Ų9270.5 Ų70.540%0.433%0.33SS..Hα-helixtrans-56.8-45.7176.5-72.1-179.2-172.9178.30112F229 S230 R231 L236 Q237 L252F229-K233 HydrophobicContact CE1-CD 4.39Å; F229-K233 PolarHBondContact O-N 2.99Å; S230-K233 PolarHBondContact O-N 3Å; R231-K233 PolarHBondContact O-N 3.16Å; K233-L236 PolarHBondContact O-N 3.28Å; K233-Q237 VanDerWaalsContact O-CG 3.28Å; K233-Q237 WeakPolarHBondContact O-CG 3.4Å; K233-Q237 PolarHBondContact O-N 3.11Å; K233-L252 HydrophobicContact CG-CD1 4.05Å
234R96.5Very high94.4Very high155 Ų15571.7 Ų71.759%0.58534%0.339SS*.Hα-helixtrans-63.5-41.9178.8-174.9173-176.4-175.4-4.8111.7S230 R231 L232 Q237 F238S230-R234 PolarHBondContact O-N 3.17Å; S230-R234 VanDerWaalsContact O-N 3.11Å; R231-R234 PolarHBondContact O-N 3.2Å; L232-R234 VanDerWaalsContact C-N 3.31Å; L232-R234 PolarHBondContact O-N 3.18Å; R234-Q237 PolarHBondContact O-N 2.59Å; R234-F238 HydrophobicContact CG-CD2 3.84Å; R234-F238 HydrophobicContact CG-CE2 3.39Å; R234-F238 HydrophobicContact CG-CZ 4.14Å; R234-F238 WeakPolarHBondContact O-CD2 3.43Å; R234-F238 PolarHBondContact O-N 3.05Å; R234-F238 VanDerWaalsContact O-N 3.12Å
235T96.7Very high94.3Very high17 Ų1773 Ų7310%0.10435%0.346CS..Hα-helixtrans-57.6-51.4173.1-63.60000110.5Y175 P203 I208 R231 L232 Q237 F238 Y239Y175-T235 HydrophobicContact CD2-CG2 4.47Å; Y175-T235 HydrophobicContact CE2-CG2 3.78Å; P203-T235 WeakPolarHBondContact O-CB 3.31Å; P203-T235 PolarHBondContact O-OG1 3.37Å; I208-T235 HydrophobicContact CD1-CG2 3.97Å; I208-T235 HydrophobicContact CG1-CG2 3.51Å; R231-T235 PolarHBondContact O-N 3.36Å; R231-T235 PolarHBondContact O-OG1 2.82Å; R231-T235 VanDerWaalsContact O-OG1 3.08Å; L232-T235 WeakPolarHBondContact O-CB 3.46Å; L232-T235 PolarHBondContact O-N 3.1Å; T235-Q237 VanDerWaalsContact C-N 3.3Å; T235-Q237 PolarHBondContact O-N 2.82Å; T235-F238 PolarHBondContact O-N 3.2Å; T235-F238 VanDerWaalsContact O-N 3.13Å; T235-Y239 HydrophobicContact CG2-CD2 4.1Å; T235-Y239 VanDerWaalsContact O-CD2 3.3Å; T235-Y239 WeakPolarHBondContact O-CD2 3.48Å; T235-Y239 PolarHBondContact O-N 3.14Å; T235-Y239 VanDerWaalsContact O-N 3.13Å
236L97.1Very high94.3Very high15 Ų1572.7 Ų72.78%0.07934%0.344CS..Hα-helixtrans-61-38179-68.1170.5000112.7T207 I208 L211 L232 K233 F238 Y239 V240 I250 L252T207-L236 HydrophobicContact CG2-CD2 4.09Å; I208-L236 HydrophobicContact CD1-CD2 4.09Å; L211-L236 HydrophobicContact CD1-CD2 3.71Å; L232-L236 HydrophobicContact CD1-CD1 4.14Å; L232-L236 HydrophobicContact CD1-CG 4.3Å; L232-L236 HydrophobicContact CG-CD1 4.22Å; L232-L236 WeakPolarHBondContact O-CG 3.25Å; L232-L236 PolarHBondContact O-N 3.2Å; K233-L236 PolarHBondContact O-N 3.28Å; L236-F238 VanDerWaalsContact C-N 3.32Å; L236-F238 PolarHBondContact O-N 3.33Å; L236-Y239 PolarHBondContact O-N 3.5Å; L236-V240 HydrophobicContact CD2-CG2 3.97Å; L236-V240 WeakPolarHBondContact O-CB 3.38Å; L236-V240 PolarHBondContact O-N 2.79Å; L236-I250 HydrophobicContact CD1-CG2 4.26Å; L236-I250 HydrophobicContact CD2-CD1 4.34Å; L236-L252 HydrophobicContact CD1-CD1 4.43Å; L236-L252 HydrophobicContact CD1-CD2 3.6Å
237Q95.5Very high94.3Very high129 Ų12974 Ų7460%0.60334%0.34SS*.Hα-helixtrans-61.4-37.6175.8-76170.7-18.300113.1K233 R234 T235K233-Q237 VanDerWaalsContact O-CG 3.28Å; K233-Q237 WeakPolarHBondContact O-CG 3.4Å; K233-Q237 PolarHBondContact O-N 3.11Å; R234-Q237 PolarHBondContact O-N 2.59Å; T235-Q237 VanDerWaalsContact C-N 3.3Å; T235-Q237 PolarHBondContact O-N 2.82Å
238F95.7Very high94.5Very high89 Ų8974.6 Ų74.639%0.3934%0.342SS..Hα-helixtrans-81.1-26.2-178.9-72.7-47.8000114.3S171 L172 R234 T235 L236S171-F238 CarbonylContact C-O 3.52Å; S171-F238 WeakPolarHBondContact CA-O 3.33Å; L172-F238 HydrophobicContact CD1-CB 3.96Å; L172-F238 HydrophobicContact CD1-CG 4.38Å; L172-F238 HydrophobicContact CG-CB 4.22Å; L172-F238 PolarHBondContact N-O 3.44Å; R234-F238 HydrophobicContact CG-CD2 3.84Å; R234-F238 HydrophobicContact CG-CE2 3.39Å; R234-F238 HydrophobicContact CG-CZ 4.14Å; R234-F238 WeakPolarHBondContact O-CD2 3.43Å; R234-F238 PolarHBondContact O-N 3.05Å; R234-F238 VanDerWaalsContact O-N 3.12Å; T235-F238 PolarHBondContact O-N 3.2Å; T235-F238 VanDerWaalsContact O-N 3.13Å; L236-F238 VanDerWaalsContact C-N 3.32Å; L236-F238 PolarHBondContact O-N 3.33Å
239Y96.6Very high94.6Very high22 Ų2274.8 Ų74.89%0.08635%0.345CS..Hα-helixtrans-110-26.3-171.7-74.3-86.4000113.9N29 L172 Y174 Y175 I208 T235 L236 P241N29-Y239 HydrophobicContact CB-CD1 4.46Å; N29-Y239 PolarHBondContact ND2-O 3.21Å; L172-Y239 HydrophobicContact CB-CD1 3.98Å; L172-Y239 HydrophobicContact CB-CE1 3.58Å; L172-Y239 HydrophobicContact CB-CE2 4.39Å; L172-Y239 HydrophobicContact CD1-CE1 4.31Å; L172-Y239 HydrophobicContact CD1-CE2 3.79Å; Y174-Y239 WeakPolarHBondContact O-CE1 3.32Å; Y174-Y239 PolarHBondContact O-OH 3.21Å; Y175-Y239 HydrophobicContact CD2-CD1 4.36Å; Y175-Y239 AromaticContact CD2-CD2 3.96Å; Y175-Y239 HydrophobicContact CD2-CD2 3.96Å; Y175-Y239 AromaticContact CD2-CE1 3.85Å; Y175-Y239 HydrophobicContact CD2-CE1 3.85Å; Y175-Y239 AromaticContact CD2-CE2 3.41Å; Y175-Y239 HydrophobicContact CD2-CE2 3.41Å; Y175-Y239 VanDerWaalsContact CD2-CE2 3.41Å; Y175-Y239 HydrophobicContact CD2-CG 4.41Å; Y175-Y239 AromaticContact CD2-CZ 3.33Å; Y175-Y239 HydrophobicContact CE2-CD2 4.43Å; Y175-Y239 AromaticContact CE2-CE2 3.86Å; Y175-Y239 HydrophobicContact CE2-CE2 3.86Å; Y175-Y239 HydrophobicContact CG-CE1 4.26Å; Y175-Y239 HydrophobicContact CG-CE2 4.47Å; Y175-Y239 AromaticContact CG-CZ 4Å; I208-Y239 HydrophobicContact CD1-CG 4.2Å; I208-Y239 HydrophobicContact CG1-CD2 4.45Å; I208-Y239 HydrophobicContact CG1-CG 4.33Å; I208-Y239 HydrophobicContact CG2-CD1 4.41Å; I208-Y239 HydrophobicContact CG2-CG 4.47Å; T235-Y239 HydrophobicContact CG2-CD2 4.1Å; T235-Y239 VanDerWaalsContact O-CD2 3.3Å; T235-Y239 WeakPolarHBondContact O-CD2 3.48Å; T235-Y239 PolarHBondContact O-N 3.14Å; T235-Y239 VanDerWaalsContact O-N 3.13Å; L236-Y239 PolarHBondContact O-N 3.5Å; Y239-P241 WeakPolarHBondContact O-CD 3.46Å
240V96.4Very high94.8Very high1 Ų175.5 Ų75.51%0.00635%0.349CS..SBendtrans-96.5115.9179.9-172.40000109.4M31 L211 L236 R247 I250M31-V240 HydrophobicContact CE-CG2 4.23Å; M31-V240 HydrophobicContact SD-CG2 4.2Å; L211-V240 HydrophobicContact CD1-CG2 3.84Å; L236-V240 HydrophobicContact CD2-CG2 3.97Å; L236-V240 WeakPolarHBondContact O-CB 3.38Å; L236-V240 PolarHBondContact O-N 2.79Å; V240-R247 HydrophobicContact CG1-CG 3.63Å; V240-R247 PolarHBondContact O-NE 3.43Å; V240-R247 PolarHBondContact O-NH2 3.4Å; V240-I250 HydrophobicContact CG1-CD1 4.29Å; V240-I250 HydrophobicContact CG2-CD1 4.12Å
241P94.4Very high94.8Very high12 Ų1274.7 Ų74.78%0.07834%0.341CS..  trans-54.5145.9-179.9-24.532.6000112.8M31 A32 S171 Y239 D243 S244 R247M31-P241 HydrophobicContact CB-CG 4.44Å; M31-P241 WeakPolarHBondContact O-CG 3.27Å; A32-P241 HydrophobicContact CB-CG 3.86Å; S171-P241 WeakPolarHBondContact OG-CA 3.43Å; Y239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-D243 VanDerWaalsContact C-N 3.28Å; P241-D243 WeakPolarHBondContact CB-OD1 3.4Å; P241-D243 PolarHBondContact O-N 2.98Å; P241-S244 WeakPolarHBondContact O-CB 3.43Å; P241-S244 PolarHBondContact O-N 2.95Å; P241-R247 WeakPolarHBondContact O-CD 3.37Å; P241-R247 PolarHBondContact O-NE 2.77Å
242T90.2Very high94.9Very high110 Ų11070.4 Ų70.468%0.67533%0.33SS*.THydrogen-bonded Turntrans-64.9-31.5-174.941.30000114R247T242-R247 VanDerWaalsContact CA-CZ 3.5Å
243D88.3Confident94.9Very high140 Ų14072.2 Ų72.275%0.74934%0.338SS*.THydrogen-bonded Turntrans-93.3-2.4179.359.5-24.8000113.3P241 E245P241-D243 VanDerWaalsContact C-N 3.28Å; P241-D243 WeakPolarHBondContact CB-OD1 3.4Å; P241-D243 PolarHBondContact O-N 2.98Å; D243-E245 PolarHBondContact O-N 3.35Å
244S90.4Very high94.9Very high27 Ų2774.9 Ų74.919%0.18935%0.346CS..  trans-69.2130.2-177.8-174.40000112.3P241 L246 R247P241-S244 WeakPolarHBondContact O-CB 3.43Å; P241-S244 PolarHBondContact O-N 2.95Å; S244-L246 PolarHBondContact O-N 3.02Å; S244-L246 VanDerWaalsContact O-N 3.12Å; S244-L246 WeakPolarHBondContact OG-CB 3.21Å; S244-L246 WeakPolarHBondContact OG-CG 3.18Å; S244-L246 PolarHBondContact OG-N 2.91Å; S244-R247 WeakPolarHBondContact O-CB 3.31Å; S244-R247 PolarHBondContact O-N 3.12Å; S244-R247 VanDerWaalsContact O-N 3.1Å
245E91Very high94.9Very high134 Ų13471.3 Ų71.363%0.62633%0.334SS*.G310 helixtrans-59.2-22.6170.9-60.1-161.2130.700112.9D243 R247 R248D243-E245 PolarHBondContact O-N 3.35Å; E245-R247 PolarHBondContact O-N 3.19Å; E245-R248 VanDerWaalsContact CG-NH2 3.34Å; E245-R248 WeakPolarHBondContact O-CB 3.28Å; E245-R248 PolarHBondContact O-N 2.84Å; E245-R248 IonicContact OE1-NH2 3.31Å; E245-R248 PolarHBondContact OE1-NH2 3.33Å; E245-R248 IonicContact OE2-NH2 3.79Å
246L91.7Very high94.9Very high23 Ų2374 Ų7412%0.1235%0.348CS..G310 helixtrans-58.5-29176-63.9174.2000112.2M31 L214 S244 R248 K249 I250M31-L246 HydrophobicContact CB-CD1 4.2Å; M31-L246 HydrophobicContact CG-CD1 3.51Å; M31-L246 HydrophobicContact SD-CD1 3.57Å; M31-L246 VanDerWaalsContact SD-CD1 3.57Å; L214-L246 HydrophobicContact CD2-CD1 3.77Å; S244-L246 PolarHBondContact O-N 3.02Å; S244-L246 VanDerWaalsContact O-N 3.12Å; S244-L246 WeakPolarHBondContact OG-CB 3.21Å; S244-L246 WeakPolarHBondContact OG-CG 3.18Å; S244-L246 PolarHBondContact OG-N 2.91Å; L246-R248 PolarHBondContact O-N 3.24Å; L246-K249 HydrophobicContact CD2-CD 4.18Å; L246-K249 WeakPolarHBondContact O-CA 3.45Å; L246-K249 WeakPolarHBondContact O-CB 3.42Å; L246-K249 PolarHBondContact O-N 2.84Å; L246-I250 WeakPolarHBondContact O-CG1 3.18Å; L246-I250 PolarHBondContact O-N 3.37Å
247R93.9Very high94.9Very high98 Ų9873.5 Ų73.537%0.3735%0.346SS..G310 helixtrans-59.3-33.4176.4-71.1-169.4168.9-149.9-2112.5V240 P241 T242 S244 E245 K249 I250V240-R247 HydrophobicContact CG1-CG 3.63Å; V240-R247 PolarHBondContact O-NE 3.43Å; V240-R247 PolarHBondContact O-NH2 3.4Å; P241-R247 WeakPolarHBondContact O-CD 3.37Å; P241-R247 PolarHBondContact O-NE 2.77Å; T242-R247 VanDerWaalsContact CA-CZ 3.5Å; S244-R247 WeakPolarHBondContact O-CB 3.31Å; S244-R247 PolarHBondContact O-N 3.12Å; S244-R247 VanDerWaalsContact O-N 3.1Å; E245-R247 PolarHBondContact O-N 3.19Å; R247-K249 PolarHBondContact O-N 2.85Å; R247-I250 PolarHBondContact O-N 2.94Å
248R95.2Very high94.9Very high185 Ų18568.2 Ų68.270%0.69832%0.324SS*.G310 helixtrans-71.5-18.7176.2-68.9-173.9-79133.6-6.6112.9E245 L246E245-R248 VanDerWaalsContact CG-NH2 3.34Å; E245-R248 WeakPolarHBondContact O-CB 3.28Å; E245-R248 PolarHBondContact O-N 2.84Å; E245-R248 IonicContact OE1-NH2 3.31Å; E245-R248 PolarHBondContact OE1-NH2 3.33Å; E245-R248 IonicContact OE2-NH2 3.79Å; L246-R248 PolarHBondContact O-N 3.24Å
249K96.5Very high94.9Very high76 Ų7667 Ų6733%0.3332%0.322SS..G310 helixtrans-89.4-12.5177.6-57.7-175.7173.4-175.70113P216 G217 L218 L219 L246 R247P216-K249 WeakPolarHBondContact O-CD 3.36Å; P216-K249 PolarHBondContact O-NZ 3Å; G217-K249 WeakPolarHBondContact O-CD 3.38Å; G217-K249 WeakPolarHBondContact O-CG 3.47Å; L218-K249 CarbonylContact C-O 3.03Å; L218-K249 WeakPolarHBondContact CA-O 3.42Å; L219-K249 PolarHBondContact N-O 2.69Å; L246-K249 HydrophobicContact CD2-CD 4.18Å; L246-K249 WeakPolarHBondContact O-CA 3.45Å; L246-K249 WeakPolarHBondContact O-CB 3.42Å; L246-K249 PolarHBondContact O-N 2.84Å; R247-K249 PolarHBondContact O-N 2.85Å
250I97.9Very high94.6Very high28 Ų2874.4 Ų74.414%0.14436%0.357CS..EExtended strand (participates in β ladder)trans-93.7123.3-177.1-62.6164.1000109.7L211 L219 L236 V240 L246 R247 L252L211-I250 HydrophobicContact CD1-CD1 3.76Å; L211-I250 HydrophobicContact CD1-CG1 4.46Å; L211-I250 HydrophobicContact CD2-CD1 3.91Å; L211-I250 HydrophobicContact CD2-CG1 3.96Å; L219-I250 CarbonylContact O-C 3.51Å; L219-I250 WeakPolarHBondContact O-CA 3.44Å; L236-I250 HydrophobicContact CD1-CG2 4.26Å; L236-I250 HydrophobicContact CD2-CD1 4.34Å; V240-I250 HydrophobicContact CG1-CD1 4.29Å; V240-I250 HydrophobicContact CG2-CD1 4.12Å; L246-I250 WeakPolarHBondContact O-CG1 3.18Å; L246-I250 PolarHBondContact O-N 3.37Å; R247-I250 PolarHBondContact O-N 2.94Å; I250-L252 HydrophobicContact CG2-CD2 4Å; I250-L252 HydrophobicContact CG2-CG 4.41Å
251V98Very high94.4Very high53 Ų5382.2 Ų82.232%0.32139%0.393SS..EExtended strand (participates in β ladder)trans-113.6122.6175-179.60000109L218 L219 A220 C221 K253L218-V251 HydrophobicContact CD1-CG2 4.12Å; L218-V251 HydrophobicContact CD2-CG2 4.47Å; L218-V251 HydrophobicContact CG-CG2 4.29Å; L219-V251 PolarHBondContact O-N 3.32Å; A220-V251 CarbonylContact C-O 3.56Å; A220-V251 WeakPolarHBondContact CA-O 3.47Å; A220-V251 HydrophobicContact CB-CB 4.5Å; C221-V251 PolarHBondContact N-O 2.72Å; V251-K253 HydrophobicContact CG1-CG 4.14Å
252L98Very high94.4Very high72 Ų7281.9 Ų81.938%0.37739%0.391SS..EExtended strand (participates in β ladder)trans-98.4127.3179.3-62.3-176.9000111.2C221 F229 L232 K233 L236 I250C221-L252 HydrophobicContact CB-CD2 3.9Å; F229-L252 HydrophobicContact CE2-CB 4.27Å; F229-L252 HydrophobicContact CZ-CB 3.87Å; L232-L252 HydrophobicContact CD2-CD2 4.39Å; K233-L252 HydrophobicContact CG-CD1 4.05Å; L236-L252 HydrophobicContact CD1-CD1 4.43Å; L236-L252 HydrophobicContact CD1-CD2 3.6Å; I250-L252 HydrophobicContact CG2-CD2 4Å; I250-L252 HydrophobicContact CG2-CG 4.41Å
253K97.2Very high94.6Very high39 Ų3981.4 Ų81.417%0.1738%0.384CS..EExtended strand (participates in β ladder)trans-127.1145.5-178.3-57.7-175.1177.4-177.90110.6A220 C221 N222 D223 F229 V251 E264 Y268A220-K253 HydrophobicContact CB-CD 4.48Å; C221-K253 PolarHBondContact O-N 3.27Å; N222-K253 WeakPolarHBondContact CA-O 3.36Å; N222-K253 HydrophobicContact CB-CB 4.15Å; N222-K253 WeakPolarHBondContact OD1-CB 3.38Å; N222-K253 PolarHBondContact OD1-O 2.81Å; D223-K253 PolarHBondContact N-O 3.14Å; F229-K253 WeakPolarHBondContact CE2-O 3.45Å; V251-K253 HydrophobicContact CG1-CG 4.14Å; K253-E264 WeakPolarHBondContact CD-OE1 3.46Å; K253-E264 WeakPolarHBondContact CE-OE1 3.36Å; K253-E264 IonicContact NZ-OE1 3.39Å; K253-E264 PolarHBondContact NZ-OE1 3.27Å; K253-E264 IonicContact NZ-OE2 2.84Å; K253-E264 PolarHBondContact NZ-OE2 3.46Å; K253-Y268 PolarHBondContact NZ-OH 3.43Å
254R96.5Very high94.9Very high148 Ų14875 Ų7556%0.55835%0.349SS*.  trans-130.962.1178.6-166.7-176.868.689.8-0.7109.7D223 F229D223-R254 WeakPolarHBondContact O-CA 3.37Å; D223-R254 VanDerWaalsContact O-CG 3.23Å; D223-R254 WeakPolarHBondContact O-CG 3.31Å; F229-R254 HydrophobicContact CD1-CB 4.37Å; F229-R254 HydrophobicContact CD1-CG 4.3Å; F229-R254 HydrophobicContact CE1-CB 4.14Å; F229-R254 HydrophobicContact CE2-CB 4.4Å; F229-R254 HydrophobicContact CG-CG 4.33Å; F229-R254 HydrophobicContact CZ-CB 4.17Å
255K96.2Very high95.1Very high79 Ų7978.1 Ų78.134%0.34336%0.364SS..  trans-111.6148.3179.8-70.5-178.2171.6-1750109.8N222 A257 W262 D263 E264N222-K255 PolarHBondContact ND2-O 2.81Å; N222-K255 PolarHBondContact OD1-N 2.48Å; N222-K255 PolarHBondContact OD1-O 2.76Å; K255-A257 PolarHBondContact O-N 2.82Å; K255-W262 HydrophobicContact CB-CE3 4.4Å; K255-W262 HydrophobicContact CB-CZ3 3.8Å; K255-W262 HydrophobicContact CD-CZ3 4.28Å; K255-D263 VanDerWaalsContact NZ-CG 3.33Å; K255-D263 IonicContact NZ-OD1 3.71Å; K255-D263 PolarHBondContact NZ-OD1 2.84Å; K255-D263 IonicContact NZ-OD2 2.71Å; K255-D263 PolarHBondContact NZ-OD2 3Å; K255-D263 VanDerWaalsContact NZ-OD2 3.14Å; K255-E264 IonicContact NZ-OE1 3.61Å
256D96.5Very high95.3Very high75 Ų7576.8 Ų76.840%0.40136%0.357SS..  trans-75108.8168.4-176.4-1.4000109.1F224 A258 N259F224-D256 HydrophobicContact CB-CB 4.32Å; D256-A258 VanDerWaalsContact C-N 3.29Å; D256-A258 PolarHBondContact OD1-N 3.03Å; D256-N259 HydrophobicContact CB-CB 4.11Å; D256-N259 WeakPolarHBondContact O-CB 3.26Å; D256-N259 PolarHBondContact O-N 2.91Å
257A96.7Very high95.6Very high3 Ų379.9 Ų79.93%0.02537%0.371CS..THydrogen-bonded Turntrans-80.6-12.4-174.700000113.2M199 K255 W262 L309 N312M199-A257 HydrophobicContact CE-CB 3.49Å; M199-A257 VanDerWaalsContact CE-CB 3.49Å; M199-A257 VanDerWaalsContact CE-O 3.31Å; M199-A257 WeakPolarHBondContact CE-O 3.16Å; M199-A257 HydrophobicContact CG-CB 3.5Å; M199-A257 VanDerWaalsContact CG-CB 3.5Å; M199-A257 HydrophobicContact SD-CB 4.24Å; K255-A257 PolarHBondContact O-N 2.82Å; A257-W262 VanDerWaalsContact CA-CE3 3.47Å; A257-W262 HydrophobicContact CB-CE3 3.94Å; A257-W262 HydrophobicContact CB-CH2 4.05Å; A257-W262 HydrophobicContact CB-CZ3 3.64Å; A257-L309 HydrophobicContact CB-CD2 3.67Å; A257-N312 PolarHBondContact O-ND2 2.92Å
258A96Very high95.8Very high18 Ų1875.4 Ų75.415%0.14936%0.355CS..THydrogen-bonded Turntrans-89.1-9.1174.500000112.8D256 V305 S308 L309D256-A258 VanDerWaalsContact C-N 3.29Å; D256-A258 PolarHBondContact OD1-N 3.03Å; A258-V305 HydrophobicContact CB-CG1 3.93Å; A258-S308 WeakPolarHBondContact O-CB 3.47Å; A258-L309 HydrophobicContact CB-CD2 4.08Å; A258-L309 HydrophobicContact CB-CG 4.1Å
259N95.6Very high96Very high64 Ų6468.4 Ų68.434%0.34233%0.331SS..SBendtrans-70.4144.9-178.8-166.6-53.7000111.4D256 E261 W262 N312D256-N259 HydrophobicContact CB-CB 4.11Å; D256-N259 WeakPolarHBondContact O-CB 3.26Å; D256-N259 PolarHBondContact O-N 2.91Å; N259-E261 PolarHBondContact O-N 3.06Å; N259-E261 WeakPolarHBondContact OD1-CB 3.45Å; N259-E261 WeakPolarHBondContact OD1-CG 3.38Å; N259-E261 PolarHBondContact OD1-N 3.2Å; N259-W262 VanDerWaalsContact O-CB 3.31Å; N259-W262 WeakPolarHBondContact O-CB 3.41Å; N259-W262 PolarHBondContact O-N 3.2Å; N259-W262 VanDerWaalsContact O-N 3.16Å; N259-N312 PolarHBondContact O-ND2 2.83Å
260E90.7Very high96Very high177 Ų17765.3 Ų65.383%0.82732%0.317SS*.THydrogen-bonded Turntrans-63-29176.2-64-178.7177.700112.7W262E260-W262 PolarHBondContact O-N 2.84Å; E260-W262 VanDerWaalsContact O-N 3.15Å
261E92.2Very high96.1Very high165 Ų16564 Ų6477%0.77131%0.31SS*.THydrogen-bonded Turntrans-73.17175.1-60.7-177.616800113.7N259 D263N259-E261 PolarHBondContact O-N 3.06Å; N259-E261 WeakPolarHBondContact OD1-CB 3.45Å; N259-E261 WeakPolarHBondContact OD1-CG 3.38Å; N259-E261 PolarHBondContact OD1-N 3.2Å; E261-D263 PolarHBondContact O-N 2.63Å
262W94.5Very high96.1Very high6 Ų661.4 Ų61.42%0.02330%0.295CS..  trans-58113.6174-177.1-98.1000110.9L197 M199 K255 A257 N259 E260 E264 N312 S316L197-W262 HydrophobicContact CD2-CZ2 3.9Å; M199-W262 HydrophobicContact CE-CD2 4.48Å; M199-W262 HydrophobicContact CE-CZ2 4.31Å; K255-W262 HydrophobicContact CB-CE3 4.4Å; K255-W262 HydrophobicContact CB-CZ3 3.8Å; K255-W262 HydrophobicContact CD-CZ3 4.28Å; A257-W262 VanDerWaalsContact CA-CE3 3.47Å; A257-W262 HydrophobicContact CB-CE3 3.94Å; A257-W262 HydrophobicContact CB-CH2 4.05Å; A257-W262 HydrophobicContact CB-CZ3 3.64Å; N259-W262 VanDerWaalsContact O-CB 3.31Å; N259-W262 WeakPolarHBondContact O-CB 3.41Å; N259-W262 PolarHBondContact O-N 3.2Å; N259-W262 VanDerWaalsContact O-N 3.16Å; E260-W262 PolarHBondContact O-N 2.84Å; E260-W262 VanDerWaalsContact O-N 3.15Å; W262-E264 HydrophobicContact CH2-CG 4.3Å; W262-E264 HydrophobicContact CZ2-CB 3.87Å; W262-E264 HydrophobicContact CZ2-CG 3.83Å; W262-N312 HydrophobicContact CB-CB 4.22Å; W262-N312 WeakPolarHBondContact CB-ND2 3.48Å; W262-N312 HydrophobicContact CG-CB 3.98Å; W262-S316 PolarHBondContact NE1-OG 2.78Å
263D93.7Very high96.2Very high99 Ų9958 Ų5853%0.52928%0.277SS..  trans-104.22.6-16563.1-23.2000113.8K255 E261 L265K255-D263 VanDerWaalsContact NZ-CG 3.33Å; K255-D263 IonicContact NZ-OD1 3.71Å; K255-D263 PolarHBondContact NZ-OD1 2.84Å; K255-D263 IonicContact NZ-OD2 2.71Å; K255-D263 PolarHBondContact NZ-OD2 3Å; K255-D263 VanDerWaalsContact NZ-OD2 3.14Å; E261-D263 PolarHBondContact O-N 2.63Å; D263-L265 PolarHBondContact O-N 2.84Å; D263-L265 VanDerWaalsContact O-N 3.16Å
264E94.4Very high96.2Very high5 Ų557.6 Ų57.62%0.02328%0.277CS..  trans-89.282.6-175.9-53-157.2177.500111.5K253 K255 W262 Y268 S316K253-E264 WeakPolarHBondContact CD-OE1 3.46Å; K253-E264 WeakPolarHBondContact CE-OE1 3.36Å; K253-E264 IonicContact NZ-OE1 3.39Å; K253-E264 PolarHBondContact NZ-OE1 3.27Å; K253-E264 IonicContact NZ-OE2 2.84Å; K253-E264 PolarHBondContact NZ-OE2 3.46Å; K255-E264 IonicContact NZ-OE1 3.61Å; W262-E264 HydrophobicContact CH2-CG 4.3Å; W262-E264 HydrophobicContact CZ2-CB 3.87Å; W262-E264 HydrophobicContact CZ2-CG 3.83Å; E264-Y268 HydrophobicContact CB-CE2 4.27Å; E264-Y268 VanDerWaalsContact OE2-CE2 3.25Å; E264-Y268 WeakPolarHBondContact OE2-CE2 3.09Å; E264-Y268 VanDerWaalsContact OE2-CZ 3.28Å; E264-Y268 PolarHBondContact OE2-OH 2.72Å; E264-S316 WeakPolarHBondContact O-CA 3.31Å; E264-S316 WeakPolarHBondContact O-CB 3.37Å; E264-S316 PolarHBondContact O-OG 3.06Å
265L94.9Very high96.1Very high94 Ų9450.8 Ų50.849%0.49225%0.252SS..  trans-93.9131.3-176.8-54.8178.7000112.1D263 Q267 R315D263-L265 PolarHBondContact O-N 2.84Å; D263-L265 VanDerWaalsContact O-N 3.16Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 WeakPolarHBondContact O-CG 3.46Å; L265-Q267 PolarHBondContact O-N 2.92Å; L265-R315 HydrophobicContact CD2-CB 4.06Å
266E95.6Very high95.9Very high105 Ų10548.6 Ų48.649%0.49125%0.246SC..SBendtrans49.640.9171.5-49.2-161134.900115.7R315 S316 K318 K399E266-R315 PolarHBondContact N-O 3.08Å; E266-R315 VanDerWaalsContact N-O 3.11Å; E266-S316 CarbonylContact C-O 3.51Å; E266-S316 WeakPolarHBondContact CA-O 3.28Å; E266-S316 PolarHBondContact N-O 3.21Å; E266-K318 VanDerWaalsContact O-CG 3.29Å; E266-K318 WeakPolarHBondContact O-CG 3.03Å; E266-K399 IonicContact OE1-NZ 2.83Å; E266-K399 PolarHBondContact OE1-NZ 2.81Å
267Q97.1Very high95.7Very high89 Ų8945.2 Ų45.242%0.41623%0.228SC..  trans-101.3-19.4-177-56-170.428.100113.7T195 L265 S316 K318T195-Q267 PolarHBondContact OG1-O 3.44Å; L265-Q267 VanDerWaalsContact C-N 3.31Å; L265-Q267 WeakPolarHBondContact O-CG 3.46Å; L265-Q267 PolarHBondContact O-N 2.92Å; Q267-S316 PolarHBondContact N-O 3.27Å; Q267-K318 WeakPolarHBondContact O-CE 3.21Å
268Y98.5Very high95.3Very high4 Ų445.4 Ų45.42%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-118.8137.2-166.8-57.1-74.7000112.8T195 L197 L218 A220 K253 E264 I271 S316 L317 K318T195-Y268 WeakPolarHBondContact OG1-CA 3.28Å; L197-Y268 HydrophobicContact CB-CD1 3.69Å; L197-Y268 HydrophobicContact CB-CD2 3.87Å; L197-Y268 HydrophobicContact CB-CE1 3.79Å; L197-Y268 HydrophobicContact CB-CE2 3.96Å; L197-Y268 HydrophobicContact CB-CG 3.71Å; L197-Y268 HydrophobicContact CD1-CE2 4.41Å; L197-Y268 HydrophobicContact CD2-CD2 3.99Å; L197-Y268 HydrophobicContact CD2-CE2 3.77Å; L197-Y268 HydrophobicContact CG-CE2 4.26Å; L218-Y268 HydrophobicContact CD2-CE1 4.39Å; A220-Y268 HydrophobicContact CB-CE1 3.75Å; A220-Y268 WeakPolarHBondContact CB-OH 3.37Å; K253-Y268 PolarHBondContact NZ-OH 3.43Å; E264-Y268 HydrophobicContact CB-CE2 4.27Å; E264-Y268 VanDerWaalsContact OE2-CE2 3.25Å; E264-Y268 WeakPolarHBondContact OE2-CE2 3.09Å; E264-Y268 VanDerWaalsContact OE2-CZ 3.28Å; E264-Y268 PolarHBondContact OE2-OH 2.72Å; Y268-I271 HydrophobicContact CD2-CD1 4.27Å; Y268-I271 HydrophobicContact CG-CG1 4.35Å; Y268-S316 PolarHBondContact N-O 3.5Å; Y268-S316 VanDerWaalsContact N-O 3.16Å; Y268-L317 WeakPolarHBondContact O-CA 3.4Å; Y268-K318 PolarHBondContact O-N 3.47Å
269D98.5Very high94.7Very high37 Ų3746.1 Ų46.120%0.19823%0.233CC..EExtended strand (participates in β ladder)trans-77.7-37.8170.5-57.1-52.9000110.4E194 T195 K318 G321 S322E194-D269 WeakPolarHBondContact CA-OD2 3.32Å; E194-D269 HydrophobicContact CB-CB 3.94Å; E194-D269 HydrophobicContact CG-CB 3.95Å; T195-D269 PolarHBondContact N-OD2 3.03Å; T195-D269 PolarHBondContact O-N 3.48Å; T195-D269 PolarHBondContact OG1-N 3.48Å; T195-D269 PolarHBondContact OG1-OD2 2.91Å; T195-D269 VanDerWaalsContact OG1-OD2 3.12Å; D269-K318 WeakPolarHBondContact OD1-CD 3.29Å; D269-K318 WeakPolarHBondContact OD1-CE 3.26Å; D269-K318 IonicContact OD1-NZ 2.67Å; D269-K318 PolarHBondContact OD1-NZ 2.84Å; D269-K318 IonicContact OD2-NZ 2.78Å; D269-K318 PolarHBondContact OD2-NZ 2.93Å; D269-G321 CarbonylContact O-C 3.55Å; D269-G321 WeakPolarHBondContact O-CA 3.47Å; D269-S322 PolarHBondContact O-N 3.17Å
270K98.5Very high94.1Very high11 Ų1143.8 Ų43.85%0.04822%0.221CC..EExtended strand (participates in β ladder)trans-132.4136.7-177.1-57.6-64-173.9-152.20111.4L188 L190 E194 T195 V196 L197 S322L188-K270 HydrophobicContact CD2-CB 4.4Å; L188-K270 WeakPolarHBondContact O-CD 3.41Å; L188-K270 WeakPolarHBondContact O-CE 3.2Å; L190-K270 HydrophobicContact CD2-CB 4Å; L190-K270 HydrophobicContact CD2-CG 3.93Å; E194-K270 VanDerWaalsContact OE1-CE 3.25Å; E194-K270 WeakPolarHBondContact OE1-CE 3.12Å; E194-K270 IonicContact OE1-NZ 3.75Å; E194-K270 WeakPolarHBondContact OE2-CE 3.34Å; E194-K270 WeakPolarHBondContact OE2-CG 3.35Å; T195-K270 PolarHBondContact O-N 3.24Å; V196-K270 CarbonylContact C-O 3.55Å; V196-K270 VanDerWaalsContact CA-O 3.26Å; V196-K270 WeakPolarHBondContact CA-O 3.43Å; V196-K270 HydrophobicContact CG1-CB 4.29Å; V196-K270 HydrophobicContact CG2-CB 4.25Å; L197-K270 PolarHBondContact N-O 2.93Å; K270-S322 WeakPolarHBondContact CA-O 3.27Å; K270-S322 WeakPolarHBondContact CD-OG 3.37Å; K270-S322 PolarHBondContact NZ-OG 2.87Å
271I98.7Very high93.8Very high0 Ų036.8 Ų36.80%019%0.187CC..EExtended strand (participates in β ladder)trans-131.1132.8176.9-58.1-178.5000110.1L188 L197 Y268 V273 G313 L317 S322 L323 V324L188-I271 VanDerWaalsContact CD2-O 3.31Å; L188-I271 WeakPolarHBondContact CD2-O 3.49Å; L197-I271 HydrophobicContact CB-CG1 4.08Å; L197-I271 HydrophobicContact CB-CG2 4.33Å; L197-I271 HydrophobicContact CD2-CD1 4.35Å; L197-I271 HydrophobicContact CD2-CG2 4.21Å; L197-I271 HydrophobicContact CG-CG2 4.41Å; L197-I271 CarbonylContact O-C 3.52Å; L197-I271 WeakPolarHBondContact O-CA 3.48Å; Y268-I271 HydrophobicContact CD2-CD1 4.27Å; Y268-I271 HydrophobicContact CG-CG1 4.35Å; I271-V273 HydrophobicContact CG2-CG2 4.01Å; I271-G313 WeakPolarHBondContact CD1-O 3.47Å; I271-L317 HydrophobicContact CB-CD2 4.24Å; I271-L317 HydrophobicContact CD1-CD2 3.7Å; I271-L317 HydrophobicContact CD1-CG 3.81Å; I271-L317 HydrophobicContact CG1-CD2 3.6Å; I271-L317 HydrophobicContact CG1-CG 4.25Å; I271-S322 PolarHBondContact N-O 2.64Å; I271-L323 HydrophobicContact CB-CB 4.38Å; I271-L323 HydrophobicContact CB-CD1 4.34Å; I271-L323 HydrophobicContact CB-CG 4.3Å; I271-L323 HydrophobicContact CG2-CD1 4.11Å; I271-L323 HydrophobicContact CG2-CG 4.34Å; I271-L323 CarbonylContact O-C 3.47Å; I271-L323 VanDerWaalsContact O-CA 3.29Å; I271-L323 WeakPolarHBondContact O-CA 3.39Å; I271-V324 PolarHBondContact O-N 2.84Å
272L98.8Very high93Very high0 Ų033.4 Ų33.40%017%0.174CC..EExtended strand (participates in β ladder)trans-105.4122.7169.1-179.763.7000109.6P184 L188 L197 M199 K206 I210 D274 V324P184-L272 HydrophobicContact CB-CD1 3.73Å; L188-L272 HydrophobicContact CD1-CB 4.07Å; L188-L272 HydrophobicContact CD2-CB 4.22Å; L197-L272 PolarHBondContact O-N 3.32Å; M199-L272 WeakPolarHBondContact CB-O 3.44Å; M199-L272 PolarHBondContact N-O 2.84Å; K206-L272 HydrophobicContact CB-CD2 3.78Å; K206-L272 HydrophobicContact CD-CD2 3.82Å; K206-L272 HydrophobicContact CG-CD2 4.44Å; I210-L272 HydrophobicContact CD1-CD2 4.03Å; L272-D274 HydrophobicContact CG-CB 4.48Å; L272-V324 HydrophobicContact CD1-CB 4.23Å; L272-V324 HydrophobicContact CD1-CG1 4.09Å
273V98.5Very high91.6Very high0 Ų034.3 Ų34.30%018%0.181CC..EExtended strand (participates in β ladder)trans-111.783170.7-174.40000108.2M199 I271 A275 L309 L323 V324 Y325 S326M199-V273 HydrophobicContact CB-CG2 4.34Å; M199-V273 HydrophobicContact SD-CG2 3.82Å; I271-V273 HydrophobicContact CG2-CG2 4.01Å; V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 HydrophobicContact CG1-CB 4.21Å; V273-A275 PolarHBondContact O-N 3.08Å; V273-L309 HydrophobicContact CG1-CB 3.82Å; V273-L309 HydrophobicContact CG1-CD1 4.39Å; V273-L323 HydrophobicContact CG2-CD1 3.71Å; V273-L323 HydrophobicContact CG2-CD2 4.12Å; V273-L323 HydrophobicContact CG2-CG 3.96Å; V273-V324 PolarHBondContact N-O 3.3Å; V273-Y325 HydrophobicContact CB-CD2 4.21Å; V273-Y325 HydrophobicContact CG1-CD2 3.95Å; V273-Y325 HydrophobicContact CG1-CE2 4.44Å; V273-S326 PolarHBondContact O-N 2.86Å
274D97.4Very high89.8Confident30 Ų3033.8 Ų33.816%0.1619%0.185CC..EExtended strand (participates in β ladder)trans-8283.1168.3-174.341.5000109.5C200 K206 L272 S326C200-D274 WeakPolarHBondContact CB-O 3.16Å; K206-D274 HydrophobicContact CD-CB 3.94Å; K206-D274 VanDerWaalsContact CE-CG 3.46Å; K206-D274 WeakPolarHBondContact CE-OD1 3.23Å; K206-D274 WeakPolarHBondContact CE-OD2 3.16Å; K206-D274 IonicContact NZ-OD1 2.76Å; K206-D274 PolarHBondContact NZ-OD1 3.24Å; K206-D274 IonicContact NZ-OD2 3.99Å; K206-D274 PolarHBondContact NZ-OD2 3.48Å; L272-D274 HydrophobicContact CG-CB 4.48Å; D274-S326 PolarHBondContact OD1-OG 3.45Å
275A95.7Very high87.9Confident5 Ų539.3 Ų39.34%0.04121%0.21CC..  trans-74.1147.2-161.900000112.7V273 C277 Q306 L309 Y325 S326V273-A275 VanDerWaalsContact C-N 3.35Å; V273-A275 HydrophobicContact CG1-CB 4.21Å; V273-A275 PolarHBondContact O-N 3.08Å; A275-C277 PolarHBondContact O-N 3.33Å; A275-Q306 HydrophobicContact CB-CG 3.83Å; A275-L309 HydrophobicContact CB-CD1 4.21Å; A275-Y325 HydrophobicContact CB-CD2 4.36Å; A275-Y325 HydrophobicContact CB-CE2 3.58Å; A275-S326 PolarHBondContact N-O 2.88Å
276P92.5Very high85.8Confident34 Ų3440.9 Ų40.922%0.22122%0.219CC..  trans-56.4130.7165.826.8-33.9000109.2L302 V305 Q306 L309P276-L302 HydrophobicContact CB-CD2 4.38Å; P276-V305 HydrophobicContact CG-CG1 4.4Å; P276-Q306 PolarHBondContact O-NE2 2.85Å; P276-L309 HydrophobicContact CG-CD1 4.33Å
277C92.2Very high83.6Confident3 Ų342.9 Ų42.92%0.0223%0.234CC..  trans-146.1176.8-177.664.60000110.3A275 S279 L290 T327 C328 T329 Q334A275-C277 PolarHBondContact O-N 3.33Å; C277-S279 PolarHBondContact O-N 3.24Å; C277-S279 PolarHBondContact O-OG 2.92Å; C277-L290 WeakPolarHBondContact O-CD1 3.38Å; C277-T327 HydrophobicContact CB-CG2 4.34Å; C277-C328 PolarHBondContact SG-N 2.85Å; C277-C328 VanDerWaalsContact SG-N 3.37Å; C277-C328 PolarHBondContact SG-SG 3.25Å; C277-T329 HydrophobicContact CB-CG2 3.95Å; C277-Q334 VanDerWaalsContact CA-OE1 3.29Å
278T87Confident81.5Confident8 Ų844.2 Ų44.25%0.04924%0.241CC..  trans-58.4-15.1178.647.40000114.8D280 F291 R299 L302 T329 Q334T278-D280 PolarHBondContact OG1-OD1 3.29Å; T278-F291 HydrophobicContact CG2-CZ 4.35Å; T278-R299 HydrophobicContact CG2-CG 3.87Å; T278-L302 HydrophobicContact CG2-CD1 3.97Å; T278-T329 WeakPolarHBondContact OG1-CB 3.45Å; T278-T329 PolarHBondContact OG1-OG1 3.08Å; T278-Q334 VanDerWaalsContact CG2-NE2 3.27Å; T278-Q334 VanDerWaalsContact N-OE1 3.1Å; T278-Q334 PolarHBondContact OG1-NE2 3.47Å
279S84.1Confident79.7Confident33 Ų3345.4 Ų45.423%0.23125%0.248CC..  trans51.960173.6-54.70000112C277 R281 L282 S283C277-S279 PolarHBondContact O-N 3.24Å; C277-S279 PolarHBondContact O-OG 2.92Å; S279-R281 PolarHBondContact O-N 2.96Å; S279-L282 CarbonylContact O-C 3.55Å; S279-L282 PolarHBondContact O-N 3.38Å; S279-S283 PolarHBondContact O-N 3.45Å
280D83.3Confident77.9Confident15 Ų1544.4 Ų44.48%0.0824%0.242CC..THydrogen-bonded Turntrans-54.7-35.3-159.4-64.3-0.7000114.2Y3 T278 S283 C328 T329 L330 P391Y3-D280 WeakPolarHBondContact CE2-OD2 3.26Å; Y3-D280 PolarHBondContact OH-OD1 3.23Å; Y3-D280 PolarHBondContact OH-OD2 3.15Å; T278-D280 PolarHBondContact OG1-OD1 3.29Å; D280-S283 PolarHBondContact O-OG 3.36Å; D280-C328 PolarHBondContact N-O 3.42Å; D280-T329 VanDerWaalsContact CG-OG1 3.24Å; D280-T329 WeakPolarHBondContact OD1-CB 3.38Å; D280-T329 PolarHBondContact OD1-OG1 3.34Å; D280-T329 PolarHBondContact OD2-OG1 2.86Å; D280-T329 VanDerWaalsContact OD2-OG1 3.05Å; D280-L330 PolarHBondContact OD2-N 3.28Å; D280-P391 HydrophobicContact CB-CG 4.31Å
281R84.5Confident76.1Confident30 Ų3047.3 Ų47.311%0.11326%0.255CS..THydrogen-bonded Turntrans-72.7-41175.7-175179.6-66.6-80.46.5113.2G17 L18 S20 S279 S283 S284 N388 G390G17-R281 PolarHBondContact O-NH1 2.8Å; G17-R281 PolarHBondContact O-NH2 3.3Å; L18-R281 HydrophobicContact CD2-CB 4.27Å; L18-R281 PolarHBondContact O-NH1 2.8Å; S20-R281 PolarHBondContact O-NH1 2.71Å; S279-R281 PolarHBondContact O-N 2.96Å; R281-S283 VanDerWaalsContact C-N 3.31Å; R281-S284 PolarHBondContact O-OG 3.3Å; R281-N388 PolarHBondContact NH2-OD1 2.94Å; R281-G390 VanDerWaalsContact CZ-O 3.3Å; R281-G390 PolarHBondContact NE-O 3.48Å; R281-G390 PolarHBondContact NH2-O 2.85Å
282L75.5Confident74.4Confident94 Ų9451.6 Ų51.649%0.49227%0.274SS..G310 helixtrans-82.7-12.3-178.1-63.5174.9000112.7S279 S284 E285S279-L282 CarbonylContact O-C 3.55Å; S279-L282 PolarHBondContact O-N 3.38Å; L282-S284 PolarHBondContact O-N 2.94Å; L282-S284 VanDerWaalsContact O-N 3.09Å; L282-E285 WeakPolarHBondContact O-CB 3.48Å; L282-E285 PolarHBondContact O-N 2.87Å
283S65.2Low72.5Confident25 Ų2559.9 Ų59.918%0.17531%0.305CS..G310 helixtrans-63.7-13.4-179.5720000114.3S279 D280 R281 E285 N289S279-S283 PolarHBondContact O-N 3.45Å; D280-S283 PolarHBondContact O-OG 3.36Å; R281-S283 VanDerWaalsContact C-N 3.31Å; S283-E285 VanDerWaalsContact C-N 3.35Å; S283-N289 PolarHBondContact O-ND2 2.96Å; S283-N289 PolarHBondContact O-OD1 3.35Å
284S55Low70.7Confident87 Ų8765.1 Ų65.161%0.60834%0.341SS*.G310 helixtrans-80.3-11.3170.848.10000114.1R281 L282R281-S284 PolarHBondContact O-OG 3.3Å; L282-S284 PolarHBondContact O-N 2.94Å; L282-S284 VanDerWaalsContact O-N 3.09Å
285E55.5Low69.4Low121 Ų12166 Ų6657%0.56534%0.342SS*.SBendtrans-88126.3-179-61.7-178.6177.900111.4L282 S283 D287 N289L282-E285 WeakPolarHBondContact O-CB 3.48Å; L282-E285 PolarHBondContact O-N 2.87Å; S283-E285 VanDerWaalsContact C-N 3.35Å; E285-D287 PolarHBondContact O-N 3.4Å; E285-N289 PolarHBondContact O-N 3.25Å
286D50.5Low68.2Low127 Ų12770 Ų7068%0.67936%0.361SS*.THydrogen-bonded Turntrans-62.4-27.8-160.4-84.2-39.2000116.2K292D286-K292 WeakPolarHBondContact O-CE 3.28Å; D286-K292 PolarHBondContact O-NZ 2.97Å
287D48.4Very low67.2Low148 Ų14876.6 Ų76.679%0.79139%0.389SS*.THydrogen-bonded Turntrans-85.3-27.2-168.4-78.9-18.9000114.4E285E285-D287 PolarHBondContact O-N 3.4Å
288M53.6Low66.4Low117 Ų11780.9 Ų80.958%0.57641%0.409SS*.THydrogen-bonded Turntrans-122.515.2-178.4-68.3-65.5-71.500113.2L290 R295M288-L290 PolarHBondContact O-N 3.26Å; M288-R295 PolarHBondContact O-NH1 3.48Å
289N59.8Low65.9Low29 Ų2982.6 Ų82.616%0.15542%0.415CS..  trans-57.8106.2-178.7-169.1-16000112S283 E285 F291 K292S283-N289 PolarHBondContact O-ND2 2.96Å; S283-N289 PolarHBondContact O-OD1 3.35Å; E285-N289 PolarHBondContact O-N 3.25Å; N289-F291 PolarHBondContact O-N 3.12Å; N289-F291 WeakPolarHBondContact OD1-CA 3.22Å; N289-F291 WeakPolarHBondContact OD1-CB 3.4Å; N289-F291 WeakPolarHBondContact OD1-CD2 3.47Å; N289-F291 PolarHBondContact OD1-N 3.05Å; N289-K292 HydrophobicContact CB-CG 4.35Å; N289-K292 WeakPolarHBondContact O-CG 3.46Å; N289-K292 PolarHBondContact O-N 2.76Å
290L60.5Low65.7Low16 Ų1685.1 Ų85.18%0.08443%0.425CS..THydrogen-bonded Turntrans-64.2-10.5174.1-87.6153.5000113C277 M288 E298 L302C277-L290 WeakPolarHBondContact O-CD1 3.38Å; M288-L290 PolarHBondContact O-N 3.26Å; L290-E298 HydrophobicContact CD2-CG 4.25Å; L290-L302 HydrophobicContact CD1-CD1 4.42Å; L290-L302 HydrophobicContact CD2-CD1 4.43Å
291F62.6Low66Low71 Ų7185.5 Ų85.531%0.31143%0.432SS..THydrogen-bonded Turntrans-910.9177.5-59.9-101.1000113.9F101 T278 N289 R293F101-F291 HydrophobicContact CE2-CE1 4.41Å; T278-F291 HydrophobicContact CG2-CZ 4.35Å; N289-F291 PolarHBondContact O-N 3.12Å; N289-F291 WeakPolarHBondContact OD1-CA 3.22Å; N289-F291 WeakPolarHBondContact OD1-CB 3.4Å; N289-F291 WeakPolarHBondContact OD1-CD2 3.47Å; N289-F291 PolarHBondContact OD1-N 3.05Å; F291-R293 PolarHBondContact O-N 3.46Å
292K62Low66.3Low90 Ų9084.5 Ų84.539%0.39143%0.429SS..SBendtrans-56.7136163.8-71.6-179.3-178.2175.10109.2D286 N289 S294 R295D286-K292 WeakPolarHBondContact O-CE 3.28Å; D286-K292 PolarHBondContact O-NZ 2.97Å; N289-K292 HydrophobicContact CB-CG 4.35Å; N289-K292 WeakPolarHBondContact O-CG 3.46Å; N289-K292 PolarHBondContact O-N 2.76Å; K292-S294 PolarHBondContact O-N 3.49Å; K292-S294 VanDerWaalsContact O-N 3.13Å; K292-R295 PolarHBondContact O-N 2.98Å
293R59Low67.2Low174 Ų17481 Ų8166%0.65741%0.412SS*.G310 helixtrans-54.3-35.5-179.3-71.6-173179.5178.23112.4F291 R295 M296F291-R293 PolarHBondContact O-N 3.46Å; R293-R295 PolarHBondContact O-N 3.35Å; R293-R295 VanDerWaalsContact O-N 3.14Å; R293-M296 WeakPolarHBondContact O-CB 3.49Å; R293-M296 PolarHBondContact O-N 3.09Å
294S59.8Low68.6Low110 Ų11084.6 Ų84.677%0.76943%0.428SS*.G310 helixtrans-62.2-15.7177.253.60000114.6K292K292-S294 PolarHBondContact O-N 3.49Å; K292-S294 VanDerWaalsContact O-N 3.13Å
295R69.8Low70.5Confident48 Ų4883.2 Ų83.218%0.18142%0.416CS..G310 helixtrans-111.617.3-178.1-58.4-175.471-168.22112.6M288 K292 R293 E298 R299M288-R295 PolarHBondContact O-NH1 3.48Å; K292-R295 PolarHBondContact O-N 2.98Å; R293-R295 PolarHBondContact O-N 3.35Å; R293-R295 VanDerWaalsContact O-N 3.14Å; R295-E298 IonicContact CZ-OE1 2.7Å; R295-E298 IonicContact CZ-OE2 3.09Å; R295-E298 VanDerWaalsContact CZ-OE2 3.31Å; R295-E298 IonicContact NE-OE1 3.5Å; R295-E298 IonicContact NE-OE2 3.68Å; R295-E298 PolarHBondContact NE-OE2 3.26Å; R295-E298 VanDerWaalsContact NH2-CD 3.25Å; R295-E298 IonicContact NH2-OE1 3.87Å; R295-E298 PolarHBondContact NH2-OE1 3.22Å; R295-E298 IonicContact NH2-OE2 2.73Å; R295-E298 PolarHBondContact NH2-OE2 3.45Å; R295-E298 VanDerWaalsContact NH2-OE2 3.09Å; R295-E298 PolarHBondContact O-N 3Å; R295-R299 WeakPolarHBondContact O-CB 3.41Å; R295-R299 PolarHBondContact O-N 3.47Å
296M70.7Confident72.5Confident89 Ų8977.5 Ų77.544%0.43839%0.389SS..Hα-helixtrans-61.5-45.7-178.7-179.3173.7-69.800112.2R293 R299 I300R293-M296 WeakPolarHBondContact O-CB 3.49Å; R293-M296 PolarHBondContact O-N 3.09Å; M296-R299 PolarHBondContact O-N 3.42Å; M296-I300 HydrophobicContact CG-CD1 3.81Å; M296-I300 VanDerWaalsContact O-CG1 3.31Å; M296-I300 WeakPolarHBondContact O-CG1 3.37Å; M296-I300 PolarHBondContact O-N 3.15Å
297E72Confident74.7Confident173 Ų17372.2 Ų72.281%0.80836%0.361SS*.Hα-helixtrans-62.6-47.3178.1-68179174.300111.3R299 I300 G301E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 2.91Å; E297-I300 PolarHBondContact O-N 2.98Å; E297-I300 VanDerWaalsContact O-N 3.15Å; E297-G301 PolarHBondContact O-N 3.15Å
298E75.4Confident76.9Confident93 Ų9367.5 Ų67.544%0.43534%0.34SS..Hα-helixtrans-54.4-47.7174.9-173.4-173.3167.600110.9L290 R295 I300 G301 L302L290-E298 HydrophobicContact CD2-CG 4.25Å; R295-E298 IonicContact CZ-OE1 2.7Å; R295-E298 IonicContact CZ-OE2 3.09Å; R295-E298 VanDerWaalsContact CZ-OE2 3.31Å; R295-E298 IonicContact NE-OE1 3.5Å; R295-E298 IonicContact NE-OE2 3.68Å; R295-E298 PolarHBondContact NE-OE2 3.26Å; R295-E298 VanDerWaalsContact NH2-CD 3.25Å; R295-E298 IonicContact NH2-OE1 3.87Å; R295-E298 PolarHBondContact NH2-OE1 3.22Å; R295-E298 IonicContact NH2-OE2 2.73Å; R295-E298 PolarHBondContact NH2-OE2 3.45Å; R295-E298 VanDerWaalsContact NH2-OE2 3.09Å; R295-E298 PolarHBondContact O-N 3Å; E298-I300 PolarHBondContact O-N 3.44Å; E298-G301 PolarHBondContact O-N 3.33Å; E298-L302 WeakPolarHBondContact O-CG 3.41Å; E298-L302 PolarHBondContact O-N 2.95Å; E298-L302 VanDerWaalsContact O-N 3.12Å
299R76Confident79Confident45 Ų4562.1 Ų62.117%0.1731%0.313CS..Hα-helixtrans-63.2-39179.1-177.1179.163.7-158.5-6.2113.1T278 R295 M296 E297 G301T278-R299 HydrophobicContact CG2-CG 3.87Å; R295-R299 WeakPolarHBondContact O-CB 3.41Å; R295-R299 PolarHBondContact O-N 3.47Å; M296-R299 PolarHBondContact O-N 3.42Å; E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 2.91Å; R299-G301 VanDerWaalsContact C-N 3.33Å
300I80.8Confident80.8Confident86 Ų8660.8 Ų60.844%0.44131%0.306SS..Hα-helixtrans-71.3-32.5177.8-68.6167.7000110.6M296 E297 E298 P303M296-I300 HydrophobicContact CG-CD1 3.81Å; M296-I300 VanDerWaalsContact O-CG1 3.31Å; M296-I300 WeakPolarHBondContact O-CG1 3.37Å; M296-I300 PolarHBondContact O-N 3.15Å; E297-I300 PolarHBondContact O-N 2.98Å; E297-I300 VanDerWaalsContact O-N 3.15Å; E298-I300 PolarHBondContact O-N 3.44Å; I300-P303 WeakPolarHBondContact O-CD 3.47Å
301G88.6Confident82.5Confident22 Ų2264.5 Ų64.523%0.22732%0.319CS..Hα-helixtrans-78.6-13.3178.200000115.3E297 E298 R299 L304 V305E297-G301 PolarHBondContact O-N 3.15Å; E298-G301 PolarHBondContact O-N 3.33Å; R299-G301 VanDerWaalsContact C-N 3.33Å; G301-L304 WeakPolarHBondContact O-CB 3.17Å; G301-L304 PolarHBondContact O-N 2.88Å; G301-V305 PolarHBondContact O-N 3.05Å
302L92.4Very high84.1Confident10 Ų1061.6 Ų61.65%0.05231%0.306CS..Hα-helixtrans-52-45.8-177.8-76.8171.9000114.1P276 T278 L290 E298 L304 V305 Q306P276-L302 HydrophobicContact CB-CD2 4.38Å; T278-L302 HydrophobicContact CG2-CD1 3.97Å; L290-L302 HydrophobicContact CD1-CD1 4.42Å; L290-L302 HydrophobicContact CD2-CD1 4.43Å; E298-L302 WeakPolarHBondContact O-CG 3.41Å; E298-L302 PolarHBondContact O-N 2.95Å; E298-L302 VanDerWaalsContact O-N 3.12Å; L302-L304 VanDerWaalsContact C-N 3.29Å; L302-L304 PolarHBondContact O-N 3.02Å; L302-V305 PolarHBondContact O-N 3.34Å; L302-Q306 WeakPolarHBondContact O-CB 3.45Å; L302-Q306 WeakPolarHBondContact O-CG 3.36Å; L302-Q306 PolarHBondContact O-N 2.89Å
303P93.9Very high85.8Confident20 Ų2057.3 Ų57.313%0.1329%0.288CS..Hα-helixtrans-58.8-37.1176.7-25.436.2000113.5I300 Q306 I307 V333 Q334 V338I300-P303 WeakPolarHBondContact O-CD 3.47Å; P303-Q306 WeakPolarHBondContact O-CB 3.32Å; P303-Q306 PolarHBondContact O-N 3.21Å; P303-I307 VanDerWaalsContact O-CG1 3.24Å; P303-I307 WeakPolarHBondContact O-CG1 3.49Å; P303-I307 PolarHBondContact O-N 3.46Å; P303-V333 HydrophobicContact CG-CG1 3.78Å; P303-Q334 HydrophobicContact CG-CG 4.1Å; P303-V338 HydrophobicContact CB-CG2 4.09Å
304L94Very high87.5Confident100 Ų10049.3 Ų49.352%0.52426%0.258SS..Hα-helixtrans-66.7-44177.9-63.4175.8000111.1G301 L302 Q306 I307 S308G301-L304 WeakPolarHBondContact O-CB 3.17Å; G301-L304 PolarHBondContact O-N 2.88Å; L302-L304 VanDerWaalsContact C-N 3.29Å; L302-L304 PolarHBondContact O-N 3.02Å; L304-Q306 VanDerWaalsContact C-N 3.3Å; L304-Q306 PolarHBondContact O-N 2.77Å; L304-I307 PolarHBondContact O-N 3.05Å; L304-S308 PolarHBondContact O-N 2.84Å; L304-S308 PolarHBondContact O-OG 3.02Å
305V95.2Very high89.2Confident59 Ų5949.2 Ų49.236%0.35824%0.241SC..Hα-helixtrans-60.3-42.9174.11770000110.7A258 P276 G301 L302 S308 L309A258-V305 HydrophobicContact CB-CG1 3.93Å; P276-V305 HydrophobicContact CG-CG1 4.4Å; G301-V305 PolarHBondContact O-N 3.05Å; L302-V305 PolarHBondContact O-N 3.34Å; V305-S308 PolarHBondContact O-N 3.17Å; V305-L309 HydrophobicContact CG1-CD1 4.13Å; V305-L309 HydrophobicContact CG1-CG 4.44Å; V305-L309 VanDerWaalsContact O-CG 3.28Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.01Å
306Q97.2Very high90.5Very high0 Ų046.9 Ų46.90%023%0.232CC..Hα-helixtrans-62.4-42.4177.8-70.2160-0.600112A275 P276 L302 P303 L304 L309 I310 Y325 Q334 V338A275-Q306 HydrophobicContact CB-CG 3.83Å; P276-Q306 PolarHBondContact O-NE2 2.85Å; L302-Q306 WeakPolarHBondContact O-CB 3.45Å; L302-Q306 WeakPolarHBondContact O-CG 3.36Å; L302-Q306 PolarHBondContact O-N 2.89Å; P303-Q306 WeakPolarHBondContact O-CB 3.32Å; P303-Q306 PolarHBondContact O-N 3.21Å; L304-Q306 VanDerWaalsContact C-N 3.3Å; L304-Q306 PolarHBondContact O-N 2.77Å; Q306-L309 PolarHBondContact O-N 3.48Å; Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 2.88Å; Q306-I310 VanDerWaalsContact O-N 3.09Å; Q306-Y325 HydrophobicContact CB-CE2 4.26Å; Q306-Y325 HydrophobicContact CG-CE2 4.47Å; Q306-Y325 WeakPolarHBondContact CG-OH 3.36Å; Q306-Y325 PolarHBondContact OE1-OH 3Å; Q306-Q334 VanDerWaalsContact NE2-OE1 3.17Å; Q306-Q334 PolarHBondContact OE1-O 2.82Å; Q306-V338 HydrophobicContact CB-CG1 4.02Å; Q306-V338 HydrophobicContact CB-CG2 4.09Å
307I96.2Very high91.7Very high17 Ų1742.7 Ų42.79%0.08721%0.211CC..Hα-helixtrans-60.1-50.5173.7-69.5163.2000110.1P303 L304 L309 I310 R311 V338 V342P303-I307 VanDerWaalsContact O-CG1 3.24Å; P303-I307 WeakPolarHBondContact O-CG1 3.49Å; P303-I307 PolarHBondContact O-N 3.46Å; L304-I307 PolarHBondContact O-N 3.05Å; I307-L309 VanDerWaalsContact C-N 3.33Å; I307-L309 PolarHBondContact O-N 3.28Å; I307-I310 PolarHBondContact O-N 3.35Å; I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.36Å; I307-R311 PolarHBondContact O-N 2.86Å; I307-V338 HydrophobicContact CG1-CB 4.42Å; I307-V338 HydrophobicContact CG1-CG1 3.95Å; I307-V338 HydrophobicContact CG1-CG2 4.38Å; I307-V342 HydrophobicContact CB-CG2 4.38Å; I307-V342 HydrophobicContact CG1-CG2 4.35Å; I307-V342 HydrophobicContact CG2-CG2 4.02Å
308S96.2Very high92.9Very high48 Ų4837.4 Ų37.434%0.33619%0.186SC..Hα-helixtrans-59.1-42179.3-61.80000112.6A258 L304 V305 I310 R311 N312A258-S308 WeakPolarHBondContact O-CB 3.47Å; L304-S308 PolarHBondContact O-N 2.84Å; L304-S308 PolarHBondContact O-OG 3.02Å; V305-S308 PolarHBondContact O-N 3.17Å; S308-I310 PolarHBondContact O-N 2.74Å; S308-R311 PolarHBondContact O-N 2.98Å; S308-N312 WeakPolarHBondContact O-CB 3.38Å; S308-N312 PolarHBondContact O-N 3.07Å
309L97.6Very high93.8Very high5 Ų536.4 Ų36.43%0.02619%0.187CC..Hα-helixtrans-59.8-45.8175.7-73.4169.2000112M199 A257 A258 V273 A275 P276 V305 Q306 I307 G313M199-L309 HydrophobicContact CE-CD2 4.21Å; M199-L309 WeakPolarHBondContact CE-O 3.37Å; M199-L309 HydrophobicContact CG-CD2 4.45Å; M199-L309 HydrophobicContact SD-CD2 4.37Å; A257-L309 HydrophobicContact CB-CD2 3.67Å; A258-L309 HydrophobicContact CB-CD2 4.08Å; A258-L309 HydrophobicContact CB-CG 4.1Å; V273-L309 HydrophobicContact CG1-CB 3.82Å; V273-L309 HydrophobicContact CG1-CD1 4.39Å; A275-L309 HydrophobicContact CB-CD1 4.21Å; P276-L309 HydrophobicContact CG-CD1 4.33Å; V305-L309 HydrophobicContact CG1-CD1 4.13Å; V305-L309 HydrophobicContact CG1-CG 4.44Å; V305-L309 VanDerWaalsContact O-CG 3.28Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.01Å; Q306-L309 PolarHBondContact O-N 3.48Å; I307-L309 VanDerWaalsContact C-N 3.33Å; I307-L309 PolarHBondContact O-N 3.28Å; L309-G313 PolarHBondContact O-N 3.45Å
310I97.3Very high94.7Very high0 Ų035.9 Ų35.90%020%0.196CC..Hα-helixtrans-65.2-46.6178.7-64.4165.6000110.2Q306 I307 S308 N312 G313 L314 L323 Y325 V338 I339 V342 L397Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 2.88Å; Q306-I310 VanDerWaalsContact O-N 3.09Å; I307-I310 PolarHBondContact O-N 3.35Å; S308-I310 PolarHBondContact O-N 2.74Å; I310-N312 PolarHBondContact O-N 2.9Å; I310-G313 CarbonylContact O-C 3.53Å; I310-G313 WeakPolarHBondContact O-CA 3.33Å; I310-G313 PolarHBondContact O-N 2.88Å; I310-G313 VanDerWaalsContact O-N 3.12Å; I310-L314 HydrophobicContact CG2-CD1 3.96Å; I310-L314 HydrophobicContact CG2-CG 4.21Å; I310-L314 WeakPolarHBondContact O-CG 3.31Å; I310-L314 PolarHBondContact O-N 2.79Å; I310-L323 HydrophobicContact CG2-CD2 4.35Å; I310-Y325 HydrophobicContact CD1-CD1 4.25Å; I310-Y325 HydrophobicContact CD1-CD2 3.53Å; I310-Y325 HydrophobicContact CD1-CE1 4.48Å; I310-Y325 HydrophobicContact CD1-CE2 3.78Å; I310-Y325 HydrophobicContact CD1-CG 3.75Å; I310-Y325 HydrophobicContact CG1-CD2 3.61Å; I310-Y325 HydrophobicContact CG1-CE2 4.1Å; I310-Y325 HydrophobicContact CG1-CG 4.12Å; I310-V338 HydrophobicContact CD1-CG1 3.38Å; I310-I339 HydrophobicContact CD1-CD1 3.98Å; I310-V342 HydrophobicContact CB-CG2 3.99Å; I310-V342 HydrophobicContact CD1-CG2 4.14Å; I310-V342 HydrophobicContact CG2-CB 4.44Å; I310-V342 HydrophobicContact CG2-CG1 3.88Å; I310-V342 HydrophobicContact CG2-CG2 3.94Å; I310-L397 HydrophobicContact CG2-CD1 3.77Å
311R95.5Very high95.5Very high95 Ų9532 Ų3236%0.35818%0.177SC..Hα-helixtrans-60-46.4-179.8-68.6-174.977.4171.7-0.8111.8I307 S308 G313 L314 R315 V342I307-R311 HydrophobicContact CG2-CG 4.33Å; I307-R311 WeakPolarHBondContact O-CG 3.36Å; I307-R311 PolarHBondContact O-N 2.86Å; S308-R311 PolarHBondContact O-N 2.98Å; R311-G313 VanDerWaalsContact C-N 3.33Å; R311-G313 PolarHBondContact O-N 2.71Å; R311-L314 PolarHBondContact O-N 3.34Å; R311-R315 WeakPolarHBondContact O-CG 3.45Å; R311-R315 PolarHBondContact O-N 3.02Å; R311-V342 HydrophobicContact CG-CG1 4.47Å; R311-V342 HydrophobicContact CG-CG2 4.38Å
312N96.5Very high95.9Very high9 Ų930.9 Ų30.95%0.04817%0.166CC..Hα-helixtrans-64.4-38.3174.8-77.3-15.3000112M199 A257 N259 W262 S308 I310 R315 S316M199-N312 HydrophobicContact CE-CB 3.7Å; A257-N312 PolarHBondContact O-ND2 2.92Å; N259-N312 PolarHBondContact O-ND2 2.83Å; W262-N312 HydrophobicContact CB-CB 4.22Å; W262-N312 WeakPolarHBondContact CB-ND2 3.48Å; W262-N312 HydrophobicContact CG-CB 3.98Å; S308-N312 WeakPolarHBondContact O-CB 3.38Å; S308-N312 PolarHBondContact O-N 3.07Å; I310-N312 PolarHBondContact O-N 2.9Å; N312-R315 PolarHBondContact O-N 3.18Å; N312-R315 PolarHBondContact OD1-NH1 3.32Å; N312-S316 WeakPolarHBondContact O-CB 3.47Å; N312-S316 PolarHBondContact O-N 2.79Å; N312-S316 PolarHBondContact O-OG 3.04Å
313G97.4Very high96.2Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-60.1-47.3172.700000112.3I271 L309 I310 R311 R315 S316 L317I271-G313 WeakPolarHBondContact CD1-O 3.47Å; L309-G313 PolarHBondContact O-N 3.45Å; I310-G313 CarbonylContact O-C 3.53Å; I310-G313 WeakPolarHBondContact O-CA 3.33Å; I310-G313 PolarHBondContact O-N 2.88Å; I310-G313 VanDerWaalsContact O-N 3.12Å; R311-G313 VanDerWaalsContact C-N 3.33Å; R311-G313 PolarHBondContact O-N 2.71Å; G313-R315 VanDerWaalsContact C-N 3.34Å; G313-R315 PolarHBondContact O-N 3.26Å; G313-S316 WeakPolarHBondContact O-CA 3.41Å; G313-S316 VanDerWaalsContact O-CB 3.32Å; G313-S316 WeakPolarHBondContact O-CB 3.5Å; G313-S316 PolarHBondContact O-N 2.81Å; G313-L317 PolarHBondContact O-N 3.25Å
314L95.7Very high96.4Very high7 Ų729.5 Ų29.54%0.03716%0.157CC..Hα-helixtrans-60.6-40.6177.3-69.1171.3000112.1I310 R311 S316 L317 L323 V342 V352 L397I310-L314 HydrophobicContact CG2-CD1 3.96Å; I310-L314 HydrophobicContact CG2-CG 4.21Å; I310-L314 WeakPolarHBondContact O-CG 3.31Å; I310-L314 PolarHBondContact O-N 2.79Å; R311-L314 PolarHBondContact O-N 3.34Å; L314-S316 PolarHBondContact O-N 2.89Å; L314-L317 HydrophobicContact CD2-CD1 4.13Å; L314-L317 PolarHBondContact O-N 2.97Å; L314-L323 HydrophobicContact CD2-CB 4.44Å; L314-V342 HydrophobicContact CD1-CG1 3.82Å; L314-V352 HydrophobicContact CD1-CG1 4.38Å; L314-V352 HydrophobicContact CD1-CG2 4.21Å; L314-V352 HydrophobicContact CD2-CG1 3.94Å; L314-V352 HydrophobicContact CD2-CG2 4.23Å; L314-L397 HydrophobicContact CD1-CD1 4.37Å; L314-L397 HydrophobicContact CD2-CB 4.21Å; L314-L397 HydrophobicContact CD2-CD1 4.26Å
315R94.3Very high96.6Very high107 Ų10724.7 Ų24.740%0.40413%0.132SC..Hα-helixtrans-62.7-29.2172-68.8167.462.7-156.62.3113L265 E266 R311 N312 G313L265-R315 HydrophobicContact CD2-CB 4.06Å; E266-R315 PolarHBondContact N-O 3.08Å; E266-R315 VanDerWaalsContact N-O 3.11Å; R311-R315 WeakPolarHBondContact O-CG 3.45Å; R311-R315 PolarHBondContact O-N 3.02Å; N312-R315 PolarHBondContact O-N 3.18Å; N312-R315 PolarHBondContact OD1-NH1 3.32Å; G313-R315 VanDerWaalsContact C-N 3.34Å; G313-R315 PolarHBondContact O-N 3.26Å
316S96.9Very high96.8Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-81.6-15.4-179.1-49.70000113.9W262 E264 E266 Q267 Y268 N312 G313 L314W262-S316 PolarHBondContact NE1-OG 2.78Å; E264-S316 WeakPolarHBondContact O-CA 3.31Å; E264-S316 WeakPolarHBondContact O-CB 3.37Å; E264-S316 PolarHBondContact O-OG 3.06Å; E266-S316 CarbonylContact C-O 3.51Å; E266-S316 WeakPolarHBondContact CA-O 3.28Å; E266-S316 PolarHBondContact N-O 3.21Å; Q267-S316 PolarHBondContact N-O 3.27Å; Y268-S316 PolarHBondContact N-O 3.5Å; Y268-S316 VanDerWaalsContact N-O 3.16Å; N312-S316 WeakPolarHBondContact O-CB 3.47Å; N312-S316 PolarHBondContact O-N 2.79Å; N312-S316 PolarHBondContact O-OG 3.04Å; G313-S316 WeakPolarHBondContact O-CA 3.41Å; G313-S316 VanDerWaalsContact O-CB 3.32Å; G313-S316 WeakPolarHBondContact O-CB 3.5Å; G313-S316 PolarHBondContact O-N 2.81Å; L314-S316 PolarHBondContact O-N 2.89Å
317L97.5Very high96.8Very high0 Ų021.9 Ų21.90%012%0.115CC..EExtended strand (participates in β ladder)trans-74.8138.3178-74.1174.7000111.7Y268 I271 G313 L314 L323 K399Y268-L317 WeakPolarHBondContact O-CA 3.4Å; I271-L317 HydrophobicContact CB-CD2 4.24Å; I271-L317 HydrophobicContact CD1-CD2 3.7Å; I271-L317 HydrophobicContact CD1-CG 3.81Å; I271-L317 HydrophobicContact CG1-CD2 3.6Å; I271-L317 HydrophobicContact CG1-CG 4.25Å; G313-L317 PolarHBondContact O-N 3.25Å; L314-L317 HydrophobicContact CD2-CD1 4.13Å; L314-L317 PolarHBondContact O-N 2.97Å; L317-L323 HydrophobicContact CD1-CB 3.92Å; L317-K399 HydrophobicContact CB-CB 4.29Å; L317-K399 HydrophobicContact CB-CD 3.82Å; L317-K399 HydrophobicContact CD1-CB 3.95Å; L317-K399 PolarHBondContact O-NZ 2.72Å
318K96.7Very high96.7Very high63 Ų6323 Ų2327%0.27412%0.124SC..EExtended strand (participates in β ladder)trans-63.3153.6160.8-63.5-178.5-149.6151.50109.9T195 E266 Q267 Y268 D269 G320 G321T195-K318 PolarHBondContact OG1-NZ 3.4Å; T195-K318 VanDerWaalsContact OG1-NZ 3.08Å; E266-K318 VanDerWaalsContact O-CG 3.29Å; E266-K318 WeakPolarHBondContact O-CG 3.03Å; Q267-K318 WeakPolarHBondContact O-CE 3.21Å; Y268-K318 PolarHBondContact O-N 3.47Å; D269-K318 WeakPolarHBondContact OD1-CD 3.29Å; D269-K318 WeakPolarHBondContact OD1-CE 3.26Å; D269-K318 IonicContact OD1-NZ 2.67Å; D269-K318 PolarHBondContact OD1-NZ 2.84Å; D269-K318 IonicContact OD2-NZ 2.78Å; D269-K318 PolarHBondContact OD2-NZ 2.93Å; K318-G320 PolarHBondContact O-N 3.23Å; K318-G321 WeakPolarHBondContact O-CA 3.32Å; K318-G321 PolarHBondContact O-N 2.97Å
319P94.7Very high96.6Very high71 Ų7120.7 Ų20.746%0.46111%0.108SC..EExtended strand (participates in β ladder)trans-52132.9168.3-25.834.8000111.6G321P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.17Å
320G94.6Very high96.4Very high34 Ų3420.4 Ų20.435%0.35111%0.107SC..EExtended strand (participates in β ladder)trans81-5.7-172.900000115.2K318 K399K318-G320 PolarHBondContact O-N 3.23Å; G320-K399 CarbonylContact C-O 3.6Å; G320-K399 WeakPolarHBondContact CA-O 3.44Å; G320-K399 PolarHBondContact N-O 3.13Å
321G96.9Very high96.2Very high4 Ų421 Ų214%0.04111%0.111CC..EExtended strand (participates in β ladder)trans-71.9164.7175.700000113.1D269 K318 P319 K399D269-G321 CarbonylContact O-C 3.55Å; D269-G321 WeakPolarHBondContact O-CA 3.47Å; K318-G321 WeakPolarHBondContact O-CA 3.32Å; K318-G321 PolarHBondContact O-N 2.97Å; P319-G321 VanDerWaalsContact C-N 3.25Å; P319-G321 PolarHBondContact O-N 3.17Å; G321-K399 PolarHBondContact O-N 3.45Å
322S97.7Very high96Very high0 Ų018.8 Ų18.80%011%0.109CC..EExtended strand (participates in β ladder)trans-133.5142.218064.60000113.7D269 K270 I271 K396 L397D269-S322 PolarHBondContact O-N 3.17Å; K270-S322 WeakPolarHBondContact CA-O 3.27Å; K270-S322 WeakPolarHBondContact CD-OG 3.37Å; K270-S322 PolarHBondContact NZ-OG 2.87Å; I271-S322 PolarHBondContact N-O 2.64Å; S322-K396 WeakPolarHBondContact OG-CE 3.39Å; S322-L397 CarbonylContact C-O 3.58Å; S322-L397 WeakPolarHBondContact CA-O 3.46Å; S322-L397 WeakPolarHBondContact CB-O 3.43Å
323L98.4Very high95.8Very high0 Ų019.7 Ų19.70%011%0.114CC..EExtended strand (participates in β ladder)trans-110.6133.4176.3178.8151.7000109.8I271 V273 I310 L314 L317 K396 L397I271-L323 HydrophobicContact CB-CB 4.38Å; I271-L323 HydrophobicContact CB-CD1 4.34Å; I271-L323 HydrophobicContact CB-CG 4.3Å; I271-L323 HydrophobicContact CG2-CD1 4.11Å; I271-L323 HydrophobicContact CG2-CG 4.34Å; I271-L323 CarbonylContact O-C 3.47Å; I271-L323 VanDerWaalsContact O-CA 3.29Å; I271-L323 WeakPolarHBondContact O-CA 3.39Å; V273-L323 HydrophobicContact CG2-CD1 3.71Å; V273-L323 HydrophobicContact CG2-CD2 4.12Å; V273-L323 HydrophobicContact CG2-CG 3.96Å; I310-L323 HydrophobicContact CG2-CD2 4.35Å; L314-L323 HydrophobicContact CD2-CB 4.44Å; L317-L323 HydrophobicContact CD1-CB 3.92Å; L323-K396 CarbonylContact O-C 3.56Å; L323-K396 WeakPolarHBondContact O-CA 3.28Å; L323-L397 HydrophobicContact CD2-CD1 4.33Å; L323-L397 PolarHBondContact N-O 3.05Å; L323-L397 PolarHBondContact O-N 2.75Å
324V98.6Very high95.7Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-106.2120.1167.71730000108.8P184 A187 L188 I271 L272 V273 V394 C395 K396P184-V324 HydrophobicContact CB-CG1 4.1Å; A187-V324 HydrophobicContact CB-CG1 4.21Å; A187-V324 HydrophobicContact CB-CG2 3.93Å; L188-V324 HydrophobicContact CB-CG2 4.47Å; L188-V324 HydrophobicContact CD2-CB 3.81Å; L188-V324 HydrophobicContact CD2-CG2 3.74Å; L188-V324 HydrophobicContact CG-CB 4.21Å; L188-V324 HydrophobicContact CG-CG2 4Å; I271-V324 PolarHBondContact O-N 2.84Å; L272-V324 HydrophobicContact CD1-CB 4.23Å; L272-V324 HydrophobicContact CD1-CG1 4.09Å; V273-V324 PolarHBondContact N-O 3.3Å; V324-V394 HydrophobicContact CG1-CG1 3.69Å; V324-C395 CarbonylContact C-O 3.49Å; V324-C395 WeakPolarHBondContact CA-O 3.34Å; V324-K396 HydrophobicContact CG2-CB 4.15Å; V324-K396 HydrophobicContact CG2-CG 4.14Å
325Y98.6Very high95.7Very high0 Ų019.9 Ų19.90%012%0.115CC..EExtended strand (participates in β ladder)trans-96.4132.9170.8174-105.9000109.6V273 A275 Q306 I310 T327 Q334 V338 I339 Y393 V394 C395V273-Y325 HydrophobicContact CB-CD2 4.21Å; V273-Y325 HydrophobicContact CG1-CD2 3.95Å; V273-Y325 HydrophobicContact CG1-CE2 4.44Å; A275-Y325 HydrophobicContact CB-CD2 4.36Å; A275-Y325 HydrophobicContact CB-CE2 3.58Å; Q306-Y325 HydrophobicContact CB-CE2 4.26Å; Q306-Y325 HydrophobicContact CG-CE2 4.47Å; Q306-Y325 WeakPolarHBondContact CG-OH 3.36Å; Q306-Y325 PolarHBondContact OE1-OH 3Å; I310-Y325 HydrophobicContact CD1-CD1 4.25Å; I310-Y325 HydrophobicContact CD1-CD2 3.53Å; I310-Y325 HydrophobicContact CD1-CE1 4.48Å; I310-Y325 HydrophobicContact CD1-CE2 3.78Å; I310-Y325 HydrophobicContact CD1-CG 3.75Å; I310-Y325 HydrophobicContact CG1-CD2 3.61Å; I310-Y325 HydrophobicContact CG1-CE2 4.1Å; I310-Y325 HydrophobicContact CG1-CG 4.12Å; Y325-T327 HydrophobicContact CE1-CG2 3.76Å; Y325-T327 HydrophobicContact CE2-CG2 4.17Å; Y325-T327 VanDerWaalsContact CZ-CG2 3.43Å; Y325-T327 WeakPolarHBondContact OH-CG2 3.27Å; Y325-Q334 PolarHBondContact OH-O 3.37Å; Y325-V338 HydrophobicContact CE1-CG1 4.43Å; Y325-I339 HydrophobicContact CD1-CD1 3.79Å; Y325-I339 HydrophobicContact CD1-CG1 4.49Å; Y325-I339 HydrophobicContact CE1-CD1 4.44Å; Y325-I339 HydrophobicContact CG-CD1 4.23Å; Y325-Y393 AromaticContact CD1-CD1 3.98Å; Y325-Y393 HydrophobicContact CD1-CD1 3.98Å; Y325-Y393 AromaticContact CD1-CE1 3.71Å; Y325-Y393 HydrophobicContact CD1-CE1 3.71Å; Y325-Y393 AromaticContact CE1-CD1 3.92Å; Y325-Y393 HydrophobicContact CE1-CD1 3.92Å; Y325-Y393 AromaticContact CE1-CE1 3.84Å; Y325-Y393 HydrophobicContact CE1-CE1 3.84Å; Y325-V394 CarbonylContact O-C 3.58Å; Y325-V394 WeakPolarHBondContact O-CA 3.42Å; Y325-C395 PolarHBondContact N-O 3.13Å; Y325-C395 PolarHBondContact O-N 2.91Å
326S98.2Very high95.6Very high0 Ų016 Ų160%010%0.103CC..EExtended strand (participates in β ladder)trans-143.5151176.360.40000113.1V273 D274 A275 Y393V273-S326 PolarHBondContact O-N 2.86Å; D274-S326 PolarHBondContact OD1-OG 3.45Å; A275-S326 PolarHBondContact N-O 2.88Å; S326-Y393 WeakPolarHBondContact CA-O 3.43Å; S326-Y393 WeakPolarHBondContact CB-O 3.45Å
327T97.3Very high95.4Very high0 Ų017.7 Ų17.70%012%0.116CC..EExtended strand (participates in β ladder)trans-140.3156.7173.773.30000110C277 Y325 T329 N335 M392 Y393C277-T327 HydrophobicContact CB-CG2 4.34Å; Y325-T327 HydrophobicContact CE1-CG2 3.76Å; Y325-T327 HydrophobicContact CE2-CG2 4.17Å; Y325-T327 VanDerWaalsContact CZ-CG2 3.43Å; Y325-T327 WeakPolarHBondContact OH-CG2 3.27Å; T327-T329 WeakPolarHBondContact OG1-CG2 3.16Å; T327-N335 PolarHBondContact OG1-OD1 2.84Å; T327-M392 CarbonylContact O-C 3.36Å; T327-M392 WeakPolarHBondContact O-CA 3.2Å; T327-Y393 PolarHBondContact N-O 3.14Å; T327-Y393 VanDerWaalsContact N-O 3.17Å; T327-Y393 PolarHBondContact O-N 2.94Å
328C95Very high95.3Very high39 Ų3917.8 Ų17.826%0.26412%0.117SC..SBendtrans-10242.5169.860.60000112.1C277 D280 P391 M392C277-C328 PolarHBondContact SG-N 2.85Å; C277-C328 VanDerWaalsContact SG-N 3.37Å; C277-C328 PolarHBondContact SG-SG 3.25Å; D280-C328 PolarHBondContact N-O 3.42Å; C328-P391 VanDerWaalsContact CA-O 3.28Å; C328-P391 WeakPolarHBondContact CA-O 3.42Å; C328-P391 WeakPolarHBondContact CB-O 3.49Å; C328-P391 WeakPolarHBondContact O-CG 3.48Å; C328-M392 HydrophobicContact CB-CE 4.42Å
329T93.7Very high95.2Very high0 Ų014.8 Ų14.80%010%0.104CC..  trans-124.8151.5174.4-178.10000111.5Y3 C277 T278 D280 T327 S331 Q334 N335 Q380Y3-T329 PolarHBondContact OH-OG1 3.33Å; C277-T329 HydrophobicContact CB-CG2 3.95Å; T278-T329 WeakPolarHBondContact OG1-CB 3.45Å; T278-T329 PolarHBondContact OG1-OG1 3.08Å; D280-T329 VanDerWaalsContact CG-OG1 3.24Å; D280-T329 WeakPolarHBondContact OD1-CB 3.38Å; D280-T329 PolarHBondContact OD1-OG1 3.34Å; D280-T329 PolarHBondContact OD2-OG1 2.86Å; D280-T329 VanDerWaalsContact OD2-OG1 3.05Å; T327-T329 WeakPolarHBondContact OG1-CG2 3.16Å; T329-S331 VanDerWaalsContact C-N 3.32Å; T329-S331 VanDerWaalsContact OG1-CB 3.31Å; T329-S331 WeakPolarHBondContact OG1-CB 3.03Å; T329-S331 PolarHBondContact OG1-N 3.32Å; T329-S331 VanDerWaalsContact OG1-N 3.11Å; T329-Q334 HydrophobicContact CG2-CB 3.75Å; T329-Q334 HydrophobicContact CG2-CG 4.48Å; T329-N335 PolarHBondContact O-ND2 3.3Å; T329-Q380 PolarHBondContact O-OE1 3.43Å
330L92.8Very high95.1Very high0 Ų013.3 Ų13.30%09%0.09CC..  trans-86.6-2.8171.6-68.6172.7000112.8Y3 Y7 W11 I14 L18 D280 P332 Q380 I382 P391Y3-L330 HydrophobicContact CD1-CB 4.45Å; Y3-L330 HydrophobicContact CD2-CB 4.12Å; Y3-L330 HydrophobicContact CD2-CD1 4.02Å; Y3-L330 HydrophobicContact CE1-CB 4.22Å; Y3-L330 HydrophobicContact CE2-CB 3.82Å; Y3-L330 HydrophobicContact CE2-CD1 4.14Å; Y3-L330 HydrophobicContact CG-CB 4.43Å; Y7-L330 HydrophobicContact CE1-CD2 4.31Å; Y7-L330 HydrophobicContact CE2-CB 3.82Å; Y7-L330 HydrophobicContact CE2-CD1 4.48Å; Y7-L330 HydrophobicContact CE2-CD2 4.34Å; Y7-L330 HydrophobicContact CE2-CG 4.45Å; Y7-L330 WeakPolarHBondContact OH-CA 3.25Å; Y7-L330 WeakPolarHBondContact OH-CB 3.31Å; Y7-L330 WeakPolarHBondContact OH-CD2 3.45Å; Y7-L330 PolarHBondContact OH-O 2.78Å; W11-L330 HydrophobicContact CZ3-CD1 4.17Å; I14-L330 HydrophobicContact CG2-CD1 3.49Å; I14-L330 VanDerWaalsContact CG2-CD1 3.49Å; L18-L330 HydrophobicContact CD1-CD1 3.8Å; D280-L330 PolarHBondContact OD2-N 3.28Å; L330-P332 VanDerWaalsContact O-CD 3.23Å; L330-P332 WeakPolarHBondContact O-CD 3.23Å; L330-Q380 HydrophobicContact CD2-CG 4.34Å; L330-I382 HydrophobicContact CD2-CG2 3.92Å; L330-P391 HydrophobicContact CD2-CB 3.63Å; L330-P391 HydrophobicContact CG-CB 3.7Å; L330-P391 HydrophobicContact CG-CG 4.14Å
331S92.5Very high95Very high12 Ų1213.1 Ų13.18%0.0848%0.084CC..  trans-74.3112.1-172.7173.10000112.3T329 V333 Q334 N335T329-S331 VanDerWaalsContact C-N 3.32Å; T329-S331 VanDerWaalsContact OG1-CB 3.31Å; T329-S331 WeakPolarHBondContact OG1-CB 3.03Å; T329-S331 PolarHBondContact OG1-N 3.32Å; T329-S331 VanDerWaalsContact OG1-N 3.11Å; S331-V333 PolarHBondContact O-N 3.42Å; S331-V333 VanDerWaalsContact O-N 3.11Å; S331-Q334 PolarHBondContact O-N 3.27Å; S331-N335 PolarHBondContact O-N 3.12Å
332P92.1Very high94.8Very high49 Ų4913 Ų1332%0.3188%0.082SC..G310 helixtrans-58.5-30.3177.8-24.636.1000113.3V6 L330 Q334 N335 D336 A337V6-P332 HydrophobicContact CB-CG 4.46Å; V6-P332 HydrophobicContact CG1-CG 3.69Å; V6-P332 HydrophobicContact CG2-CG 3.91Å; L330-P332 VanDerWaalsContact O-CD 3.23Å; L330-P332 WeakPolarHBondContact O-CD 3.23Å; P332-Q334 PolarHBondContact O-N 3.24Å; P332-N335 CarbonylContact O-C 3.46Å; P332-N335 PolarHBondContact O-N 2.88Å; P332-D336 PolarHBondContact O-N 2.76Å; P332-A337 WeakPolarHBondContact O-CB 3.5Å; P332-A337 PolarHBondContact O-N 3.21Å
333V92Very high94.4Very high27 Ų2714 Ų1416%0.1649%0.087CC..G310 helixtrans-59.9-30.1175.4168.10000113I108 P303 S331I108-V333 HydrophobicContact CD1-CB 4.27Å; I108-V333 HydrophobicContact CD1-CG1 3.3Å; I108-V333 HydrophobicContact CD1-CG2 3.92Å; P303-V333 HydrophobicContact CG-CG1 3.78Å; S331-V333 PolarHBondContact O-N 3.42Å; S331-V333 VanDerWaalsContact O-N 3.11Å
334Q94.9Very high93.9Very high9 Ų918.1 Ų18.14%0.04211%0.107CC..G310 helixtrans-99.91.3177.2-72.1175.783.800111.3C277 T278 P303 Q306 Y325 T329 S331 P332C277-Q334 VanDerWaalsContact CA-OE1 3.29Å; T278-Q334 VanDerWaalsContact CG2-NE2 3.27Å; T278-Q334 VanDerWaalsContact N-OE1 3.1Å; T278-Q334 PolarHBondContact OG1-NE2 3.47Å; P303-Q334 HydrophobicContact CG-CG 4.1Å; Q306-Q334 VanDerWaalsContact NE2-OE1 3.17Å; Q306-Q334 PolarHBondContact OE1-O 2.82Å; Y325-Q334 PolarHBondContact OH-O 3.37Å; T329-Q334 HydrophobicContact CG2-CB 3.75Å; T329-Q334 HydrophobicContact CG2-CG 4.48Å; S331-Q334 PolarHBondContact O-N 3.27Å; P332-Q334 PolarHBondContact O-N 3.24Å
335N95.9Very high92.9Very high3 Ų322.6 Ų22.62%0.01613%0.127CC..THydrogen-bonded Turntrans-121-105-172.9-65.2-8.9000109.3T327 T329 S331 P332 A337 V338 I339 Q380 Y393T327-N335 PolarHBondContact OG1-OD1 2.84Å; T329-N335 PolarHBondContact O-ND2 3.3Å; S331-N335 PolarHBondContact O-N 3.12Å; P332-N335 CarbonylContact O-C 3.46Å; P332-N335 PolarHBondContact O-N 2.88Å; N335-A337 PolarHBondContact O-N 2.53Å; N335-V338 WeakPolarHBondContact O-CB 3.38Å; N335-V338 PolarHBondContact O-N 2.81Å; N335-V338 VanDerWaalsContact O-N 3.09Å; N335-I339 PolarHBondContact O-N 3.1Å; N335-Q380 PolarHBondContact ND2-OE1 3.13Å; N335-Y393 HydrophobicContact CB-CD1 3.71Å; N335-Y393 HydrophobicContact CB-CD2 3.74Å; N335-Y393 HydrophobicContact CB-CE1 3.85Å; N335-Y393 HydrophobicContact CB-CE2 3.9Å; N335-Y393 HydrophobicContact CB-CG 3.65Å; N335-Y393 VanDerWaalsContact CG-CG 3.45Å; N335-Y393 WeakPolarHBondContact ND2-CB 3.14Å
336D92.9Very high91.6Very high26 Ų2624.6 Ų24.614%0.13914%0.137CC..Hα-helixtrans-55.8-35.5-179.7-79.3-26.7000113.1P332 V338 I339 E340 C375 R376 Y377 Y393P332-D336 PolarHBondContact O-N 2.76Å; D336-V338 VanDerWaalsContact C-N 3.33Å; D336-V338 PolarHBondContact O-N 2.95Å; D336-I339 PolarHBondContact O-N 3.19Å; D336-E340 WeakPolarHBondContact O-CB 3.22Å; D336-E340 PolarHBondContact O-N 2.66Å; D336-C375 WeakPolarHBondContact OD2-CB 3.46Å; D336-R376 PolarHBondContact OD2-N 3.1Å; D336-Y377 HydrophobicContact CB-CD2 4.02Å; D336-Y377 PolarHBondContact OD1-N 2.8Å; D336-Y393 PolarHBondContact OD1-OH 3.23Å
337A92.9Very high89.9Confident35 Ų3530.6 Ų30.629%0.28917%0.169SC..Hα-helixtrans-68.6-32.1-179.900000112.8P332 N335 S341P332-A337 WeakPolarHBondContact O-CB 3.5Å; P332-A337 PolarHBondContact O-N 3.21Å; N335-A337 PolarHBondContact O-N 2.53Å; A337-S341 WeakPolarHBondContact O-CB 3.11Å; A337-S341 PolarHBondContact O-N 2.94Å; A337-S341 PolarHBondContact O-OG 3.03Å
338V95Very high87.9Confident1 Ų135.4 Ų35.41%0.00621%0.208CC..Hα-helixtrans-67.2-45.3172.7163.70000109.6P303 Q306 I307 I310 Y325 N335 D336 S341 V342P303-V338 HydrophobicContact CB-CG2 4.09Å; Q306-V338 HydrophobicContact CB-CG1 4.02Å; Q306-V338 HydrophobicContact CB-CG2 4.09Å; I307-V338 HydrophobicContact CG1-CB 4.42Å; I307-V338 HydrophobicContact CG1-CG1 3.95Å; I307-V338 HydrophobicContact CG1-CG2 4.38Å; I310-V338 HydrophobicContact CD1-CG1 3.38Å; Y325-V338 HydrophobicContact CE1-CG1 4.43Å; N335-V338 WeakPolarHBondContact O-CB 3.38Å; N335-V338 PolarHBondContact O-N 2.81Å; N335-V338 VanDerWaalsContact O-N 3.09Å; D336-V338 VanDerWaalsContact C-N 3.33Å; D336-V338 PolarHBondContact O-N 2.95Å; V338-S341 PolarHBondContact O-N 3.36Å; V338-V342 WeakPolarHBondContact O-CG2 3.41Å; V338-V342 PolarHBondContact O-N 3.05Å
339I95.1Very high85.9Confident0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-61.2-46.8176.6-57.9-56.6000110.7I310 Y325 N335 D336 S341 V342 M343 V354 Y377 Y393 C395 L397I310-I339 HydrophobicContact CD1-CD1 3.98Å; Y325-I339 HydrophobicContact CD1-CD1 3.79Å; Y325-I339 HydrophobicContact CD1-CG1 4.49Å; Y325-I339 HydrophobicContact CE1-CD1 4.44Å; Y325-I339 HydrophobicContact CG-CD1 4.23Å; N335-I339 PolarHBondContact O-N 3.1Å; D336-I339 PolarHBondContact O-N 3.19Å; I339-S341 VanDerWaalsContact C-N 3.31Å; I339-S341 PolarHBondContact O-N 3.22Å; I339-V342 PolarHBondContact O-N 3.38Å; I339-M343 HydrophobicContact CG2-CE 4.25Å; I339-M343 HydrophobicContact CG2-CG 4.24Å; I339-M343 VanDerWaalsContact O-CG 3.23Å; I339-M343 WeakPolarHBondContact O-CG 3.27Å; I339-M343 PolarHBondContact O-N 2.73Å; I339-V354 HydrophobicContact CG2-CG2 4.31Å; I339-Y377 HydrophobicContact CB-CD2 4.03Å; I339-Y377 HydrophobicContact CB-CG 4.36Å; I339-Y377 HydrophobicContact CG2-CD2 3.95Å; I339-Y377 HydrophobicContact CG2-CG 3.84Å; I339-Y393 HydrophobicContact CG1-CE1 4.36Å; I339-C395 HydrophobicContact CD1-CB 4.02Å; I339-C395 HydrophobicContact CG1-CB 4.11Å; I339-L397 HydrophobicContact CG2-CD2 4.38Å
340E92.3Very high84.5Confident40 Ų4043.6 Ų43.619%0.18725%0.254CS..Hα-helixtrans-57.6-45.3176.8-171.3160-134.300111.8D336 V342 M343 Q344 R376 Y377D336-E340 WeakPolarHBondContact O-CB 3.22Å; D336-E340 PolarHBondContact O-N 2.66Å; E340-V342 VanDerWaalsContact C-N 3.35Å; E340-V342 PolarHBondContact O-N 3.5Å; E340-M343 PolarHBondContact O-N 3.11Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.34Å; E340-Q344 PolarHBondContact O-N 3.22Å; E340-R376 IonicContact OE1-CZ 3.48Å; E340-R376 IonicContact OE1-NH1 2.7Å; E340-R376 PolarHBondContact OE1-NH1 2.93Å; E340-R376 IonicContact OE1-NH2 3.59Å; E340-R376 IonicContact OE2-NH1 3.84Å; E340-Y377 HydrophobicContact CB-CE2 3.87Å; E340-Y377 HydrophobicContact CG-CE2 4.46Å
341S92.1Very high84Confident31 Ų3150.3 Ų50.322%0.21728%0.283CS..Hα-helixtrans-63.6-39.6-180-57.40000112.2A337 V338 I339 Q345A337-S341 WeakPolarHBondContact O-CB 3.11Å; A337-S341 PolarHBondContact O-N 2.94Å; A337-S341 PolarHBondContact O-OG 3.03Å; V338-S341 PolarHBondContact O-N 3.36Å; I339-S341 VanDerWaalsContact C-N 3.31Å; I339-S341 PolarHBondContact O-N 3.22Å; S341-Q345 WeakPolarHBondContact O-CG 3.38Å; S341-Q345 PolarHBondContact O-N 2.77Å
342V92.9Very high84Confident0 Ų050.5 Ų50.50%028%0.284CS..Hα-helixtrans-63.3-49.8173.5170.90000110I307 I310 R311 L314 V338 I339 E340 Q344 Q345 E346I307-V342 HydrophobicContact CB-CG2 4.38Å; I307-V342 HydrophobicContact CG1-CG2 4.35Å; I307-V342 HydrophobicContact CG2-CG2 4.02Å; I310-V342 HydrophobicContact CB-CG2 3.99Å; I310-V342 HydrophobicContact CD1-CG2 4.14Å; I310-V342 HydrophobicContact CG2-CB 4.44Å; I310-V342 HydrophobicContact CG2-CG1 3.88Å; I310-V342 HydrophobicContact CG2-CG2 3.94Å; R311-V342 HydrophobicContact CG-CG1 4.47Å; R311-V342 HydrophobicContact CG-CG2 4.38Å; L314-V342 HydrophobicContact CD1-CG1 3.82Å; V338-V342 WeakPolarHBondContact O-CG2 3.41Å; V338-V342 PolarHBondContact O-N 3.05Å; I339-V342 PolarHBondContact O-N 3.38Å; E340-V342 VanDerWaalsContact C-N 3.35Å; E340-V342 PolarHBondContact O-N 3.5Å; V342-Q344 VanDerWaalsContact C-N 3.26Å; V342-Q344 PolarHBondContact O-N 3.32Å; V342-Q345 PolarHBondContact O-N 2.9Å; V342-E346 HydrophobicContact CG1-CG 4.48Å; V342-E346 PolarHBondContact O-N 3.01Å
343M90.1Very high84.1Confident22 Ų2248.1 Ų48.111%0.10827%0.269CS..Hα-helixtrans-64.8-26.3-177.4-65-65.1159.500113.8V135 I339 E340 V352 V354 L397V135-M343 HydrophobicContact CG1-CG 3.97Å; V135-M343 HydrophobicContact CG1-SD 4.19Å; V135-M343 HydrophobicContact CG2-CB 3.79Å; V135-M343 HydrophobicContact CG2-CG 4.05Å; I339-M343 HydrophobicContact CG2-CE 4.25Å; I339-M343 HydrophobicContact CG2-CG 4.24Å; I339-M343 VanDerWaalsContact O-CG 3.23Å; I339-M343 WeakPolarHBondContact O-CG 3.27Å; I339-M343 PolarHBondContact O-N 2.73Å; E340-M343 PolarHBondContact O-N 3.11Å; M343-V352 HydrophobicContact CE-CG1 3.79Å; M343-V352 HydrophobicContact SD-CB 4.42Å; M343-V352 HydrophobicContact SD-CG1 4.32Å; M343-V354 HydrophobicContact CE-CG2 3.92Å; M343-L397 HydrophobicContact CE-CD1 3.74Å; M343-L397 HydrophobicContact CE-CD2 3.27Å; M343-L397 HydrophobicContact CE-CG 4.05Å
344Q86Confident84.2Confident87 Ų8746.9 Ų46.941%0.40726%0.261SS..Hα-helixtrans-73.9-25.9174.3-75.2176.70.900113.5P133 E340 V342P133-Q344 HydrophobicContact CB-CG 4.23Å; P133-Q344 HydrophobicContact CG-CG 3.58Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.34Å; E340-Q344 PolarHBondContact O-N 3.22Å; V342-Q344 VanDerWaalsContact C-N 3.26Å; V342-Q344 PolarHBondContact O-N 3.32Å
345Q79.3Confident84.2Confident93 Ų9346.5 Ų46.544%0.43526%0.259SS..Hα-helixtrans-99.6-11-173.3-68.9177.5-1.900113.4S341 V342S341-Q345 WeakPolarHBondContact O-CG 3.38Å; S341-Q345 PolarHBondContact O-N 2.77Å; V342-Q345 PolarHBondContact O-N 2.9Å
346E71Confident84.1Confident43 Ų4347.1 Ų47.120%0.20126%0.263CS..SBendtrans-70.8128.2172.9-70.5-60.1140.100109.4V342 S350 V352V342-E346 HydrophobicContact CG1-CG 4.48Å; V342-E346 PolarHBondContact O-N 3.01Å; E346-S350 WeakPolarHBondContact OE2-CB 3.03Å; E346-S350 PolarHBondContact OE2-OG 3.09Å; E346-V352 HydrophobicContact CG-CG2 4.42Å
347D62Low84.1Confident126 Ų12646 Ų4667%0.67426%0.257SS*.  trans-59.5151174.7-75.2-42.7000109.9D349 S350D347-D349 PolarHBondContact O-N 3.17Å; D347-S350 PolarHBondContact O-N 2.8Å
348A55.9Low83.9Confident100 Ų10044.4 Ų44.483%0.82624%0.244SC*.THydrogen-bonded Turntrans-54.7-20.8179.300000113.7
349D53.4Low83.5Confident154 Ų15445.6 Ų45.682%0.82425%0.252SS*.THydrogen-bonded Turntrans-84.2-24.1176.4-69-28.1000113.6D347 K351D347-D349 PolarHBondContact O-N 3.17Å; D349-K351 PolarHBondContact O-N 3.17Å
350S62.9Low83.2Confident57 Ų5745.7 Ų45.740%0.39925%0.252SS..SBendtrans-8083.6172-76.10000110E346 D347 V352E346-S350 WeakPolarHBondContact OE2-CB 3.03Å; E346-S350 PolarHBondContact OE2-OG 3.09Å; D347-S350 PolarHBondContact O-N 2.8Å; S350-V352 PolarHBondContact O-N 2.83Å
351K83.3Confident83.1Confident141 Ų14143.8 Ų43.861%0.61324%0.243SC*.  trans-7188178.4-68.1178.9-173.8170.60110.9D349 M400D349-K351 PolarHBondContact O-N 3.17Å; K351-M400 HydrophobicContact CB-CB 3.62Å; K351-M400 HydrophobicContact CB-CG 3.86Å; K351-M400 WeakPolarHBondContact O-CB 3.33Å; K351-M400 WeakPolarHBondContact O-CG 3.08Å; K351-M400 PolarHBondContact O-N 2.94Å
352V92.5Very high82.8Confident16 Ų1645 Ų4510%0.09724%0.243CC..EExtended strand (participates in β ladder)trans-103.4132.3169.9-174.30000109.3L314 M343 E346 S350 L397 L398L314-V352 HydrophobicContact CD1-CG1 4.38Å; L314-V352 HydrophobicContact CD1-CG2 4.21Å; L314-V352 HydrophobicContact CD2-CG1 3.94Å; L314-V352 HydrophobicContact CD2-CG2 4.23Å; M343-V352 HydrophobicContact CE-CG1 3.79Å; M343-V352 HydrophobicContact SD-CB 4.42Å; M343-V352 HydrophobicContact SD-CG1 4.32Å; E346-V352 HydrophobicContact CG-CG2 4.42Å; S350-V352 PolarHBondContact O-N 2.83Å; V352-L397 HydrophobicContact CG1-CB 4.01Å; V352-L398 WeakPolarHBondContact CA-O 3.22Å
353A93.5Very high82.6Confident0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-116.7148.1176.100000111.8S136 V138 L397 L398 M400S136-A353 WeakPolarHBondContact O-CA 3.36Å; S136-A353 WeakPolarHBondContact OG-CA 3.47Å; S136-A353 VanDerWaalsContact OG-CB 3.31Å; S136-A353 WeakPolarHBondContact OG-CB 3.46Å; V138-A353 HydrophobicContact CG1-CB 4.08Å; V138-A353 HydrophobicContact CG2-CB 4.1Å; A353-L397 CarbonylContact O-C 3.53Å; A353-L397 WeakPolarHBondContact O-CA 3.47Å; A353-L398 PolarHBondContact N-O 3.43Å; A353-L398 PolarHBondContact O-N 3.5Å; A353-M400 HydrophobicContact CB-CE 4Å; A353-M400 HydrophobicContact CB-SD 4.26Å
354V95.1Very high82.6Confident0 Ų045.7 Ų45.70%025%0.249CC..EExtended strand (participates in β ladder)trans-83.9129.8168.5174.30000108.5L67 V135 S136 I137 V138 I339 M343 Y377 L397L67-V354 HydrophobicContact CD1-CG1 3.98Å; V135-V354 HydrophobicContact CG1-CB 4.26Å; V135-V354 HydrophobicContact CG1-CG2 3.49Å; V135-V354 VanDerWaalsContact CG1-CG2 3.49Å; S136-V354 PolarHBondContact O-N 2.97Å; I137-V354 CarbonylContact C-O 3.52Å; I137-V354 VanDerWaalsContact CA-O 3.25Å; I137-V354 WeakPolarHBondContact CA-O 3.29Å; I137-V354 HydrophobicContact CG1-CB 4.16Å; I137-V354 HydrophobicContact CG1-CG1 4.4Å; V138-V354 PolarHBondContact N-O 3.09Å; I339-V354 HydrophobicContact CG2-CG2 4.31Å; M343-V354 HydrophobicContact CE-CG2 3.92Å; V354-Y377 WeakPolarHBondContact CG1-O 3.45Å; V354-Y377 HydrophobicContact CG2-CD1 4.16Å; V354-L397 HydrophobicContact CG2-CD2 3.8Å
355C95.1Very high82.9Confident1 Ų144.8 Ų44.81%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-86.9125.6175-68.50000110.3V138 Y140 L357 K396V138-C355 CarbonylContact O-C 3.58Å; V138-C355 WeakPolarHBondContact O-CA 3.29Å; Y140-C355 HydrophobicContact CD2-CB 4.03Å; Y140-C355 WeakPolarHBondContact CD2-SG 3.26Å; Y140-C355 HydrophobicContact CG-CB 3.93Å; C355-L357 PolarHBondContact O-N 2.84Å; C355-K396 HydrophobicContact CB-CB 3.84Å; C355-K396 HydrophobicContact CB-CD 3.82Å; C355-K396 HydrophobicContact CB-CG 3.78Å; C355-K396 PolarHBondContact N-O 3.18Å
356D93.7Very high83.3Confident16 Ų1648 Ų489%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-72111.8171.2-170.9-20.7000110.3L66 L67 I137 V138 Y140 S358L66-D356 WeakPolarHBondContact CD2-OD2 3.35Å; L67-D356 HydrophobicContact CD1-CB 4.35Å; L67-D356 PolarHBondContact N-OD2 2.89Å; L67-D356 VanDerWaalsContact N-OD2 3.16Å; I137-D356 HydrophobicContact CG2-CB 3.92Å; V138-D356 PolarHBondContact O-N 2.73Å; Y140-D356 PolarHBondContact N-O 2.96Å; D356-S358 VanDerWaalsContact C-N 3.35Å; D356-S358 WeakPolarHBondContact OD1-CB 3.29Å; D356-S358 PolarHBondContact OD1-N 2.7Å; D356-S358 PolarHBondContact OD1-OG 2.64Å
357L93Very high84.1Confident3 Ų346.8 Ų46.82%0.01625%0.249CC..  trans-92.917-179-62.4178.5000113.4V142 A187 C355 S359 V360 A361 L379 V394 K396V142-L357 HydrophobicContact CG2-CD2 4.43Å; A187-L357 HydrophobicContact CB-CD1 3.88Å; A187-L357 HydrophobicContact CB-CD2 4.47Å; C355-L357 PolarHBondContact O-N 2.84Å; L357-S359 PolarHBondContact O-N 2.77Å; L357-V360 HydrophobicContact CD2-CG2 4.45Å; L357-V360 WeakPolarHBondContact O-CA 3.34Å; L357-V360 WeakPolarHBondContact O-CB 3.46Å; L357-V360 PolarHBondContact O-N 2.76Å; L357-A361 PolarHBondContact O-N 3.5Å; L357-L379 HydrophobicContact CB-CD1 3.58Å; L357-L379 HydrophobicContact CB-CG 3.99Å; L357-L379 HydrophobicContact CD1-CD1 4.31Å; L357-V394 HydrophobicContact CD1-CG1 4.17Å; L357-K396 HydrophobicContact CD1-CB 4.03Å; L357-K396 HydrophobicContact CD2-CB 4.11Å; L357-K396 HydrophobicContact CD2-CD 4.12Å; L357-K396 HydrophobicContact CG-CB 4.28Å
358S88.2Confident85.4Confident2 Ų242.2 Ų42.21%0.01423%0.232CC..Hα-helixtrans-54.4-36177-65.90000113.4F65 L66 D356 V360 A361 W362F65-S358 WeakPolarHBondContact CB-OG 3.12Å; F65-S358 PolarHBondContact O-OG 2.9Å; L66-S358 VanDerWaalsContact CA-OG 3.26Å; L66-S358 WeakPolarHBondContact CA-OG 3.32Å; L66-S358 PolarHBondContact N-OG 2.78Å; L66-S358 VanDerWaalsContact N-OG 3.16Å; D356-S358 VanDerWaalsContact C-N 3.35Å; D356-S358 WeakPolarHBondContact OD1-CB 3.29Å; D356-S358 PolarHBondContact OD1-N 2.7Å; D356-S358 PolarHBondContact OD1-OG 2.64Å; S358-V360 PolarHBondContact O-N 3.07Å; S358-A361 PolarHBondContact O-N 2.89Å; S358-W362 PolarHBondContact O-N 3.01Å
359S85.9Confident87.1Confident26 Ų2637.4 Ų37.418%0.18219%0.192CC..Hα-helixtrans-60.9-26.8175.864.80000112.9Y140 L357 P363Y140-S359 PolarHBondContact O-OG 3.39Å; L357-S359 PolarHBondContact O-N 2.77Å; S359-P363 WeakPolarHBondContact O-CD 3.28Å; S359-P363 VanDerWaalsContact O-CG 3.31Å; S359-P363 WeakPolarHBondContact O-CG 3.18Å
360V88.8Confident89Confident1 Ų130.2 Ų30.21%0.00615%0.154CC..Hα-helixtrans-87.7-43.8175.4-1800000110.9V142 L183 I186 L357 S358 W362 L364V142-V360 HydrophobicContact CB-CG2 3.61Å; V142-V360 HydrophobicContact CG1-CG2 4.36Å; V142-V360 HydrophobicContact CG2-CG2 3.35Å; L183-V360 HydrophobicContact CD1-CG1 3.6Å; I186-V360 HydrophobicContact CG2-CG1 4Å; L357-V360 HydrophobicContact CD2-CG2 4.45Å; L357-V360 WeakPolarHBondContact O-CA 3.34Å; L357-V360 WeakPolarHBondContact O-CB 3.46Å; L357-V360 PolarHBondContact O-N 2.76Å; S358-V360 PolarHBondContact O-N 3.07Å; V360-W362 PolarHBondContact O-N 3.28Å; V360-L364 HydrophobicContact CG1-CD1 3.69Å; V360-L364 WeakPolarHBondContact O-CD1 3.44Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.48Å; V360-L364 PolarHBondContact O-N 2.85Å
361A89.8Confident90.5Very high0 Ų030.1 Ų30.10%015%0.147CC..Hα-helixtrans-63.6-43.2-17500000112.2F65 L357 S358 L364 Q365 F372 L379F65-A361 HydrophobicContact CD1-CB 3.47Å; F65-A361 VanDerWaalsContact CD1-CB 3.47Å; F65-A361 HydrophobicContact CE1-CB 3.68Å; F65-A361 HydrophobicContact CG-CB 4.31Å; L357-A361 PolarHBondContact O-N 3.5Å; S358-A361 PolarHBondContact O-N 2.89Å; A361-L364 PolarHBondContact O-N 2.95Å; A361-Q365 WeakPolarHBondContact O-CB 3.48Å; A361-Q365 PolarHBondContact O-N 3.26Å; A361-F372 HydrophobicContact CB-CD2 4.28Å; A361-F372 HydrophobicContact CB-CE1 4.43Å; A361-F372 HydrophobicContact CB-CE2 4.12Å; A361-F372 HydrophobicContact CB-CZ 4.2Å; A361-F372 VanDerWaalsContact O-CE2 3.29Å; A361-F372 WeakPolarHBondContact O-CE2 3.4Å; A361-L379 HydrophobicContact CB-CD1 3.78Å; A361-L379 HydrophobicContact CB-CD2 3.73Å; A361-L379 HydrophobicContact CB-CG 4.4Å
362W86.6Confident91Very high58 Ų5824.2 Ų24.222%0.2212%0.121CC..Hα-helixtrans-65.2-51.8-173.4173.8-119.5000113.7G60 N62 F65 S358 V360 L364 Q365 R366G60-W362 PolarHBondContact O-NE1 3.34Å; G60-W362 VanDerWaalsContact O-NE1 3.08Å; N62-W362 HydrophobicContact CB-CD2 3.56Å; N62-W362 HydrophobicContact CB-CE3 3.54Å; N62-W362 HydrophobicContact CB-CG 4.09Å; N62-W362 HydrophobicContact CB-CH2 4.08Å; N62-W362 HydrophobicContact CB-CZ2 4.11Å; N62-W362 HydrophobicContact CB-CZ3 3.82Å; N62-W362 VanDerWaalsContact ND2-CH2 3.35Å; N62-W362 WeakPolarHBondContact ND2-CH2 3.29Å; N62-W362 WeakPolarHBondContact ND2-CZ3 3.4Å; F65-W362 HydrophobicContact CD2-CE3 4.18Å; F65-W362 AromaticContact CE2-CE3 3.51Å; F65-W362 HydrophobicContact CE2-CE3 3.51Å; F65-W362 HydrophobicContact CE2-CZ3 4.05Å; F65-W362 HydrophobicContact CZ-CE3 4.22Å; S358-W362 PolarHBondContact O-N 3.01Å; V360-W362 PolarHBondContact O-N 3.28Å; W362-L364 VanDerWaalsContact C-N 3.29Å; W362-L364 PolarHBondContact O-N 3.38Å; W362-Q365 PolarHBondContact O-N 3.43Å; W362-R366 HydrophobicContact CD2-CG 4.27Å; W362-R366 HydrophobicContact CE3-CG 4.43Å; W362-R366 HydrophobicContact CH2-CG 4.38Å; W362-R366 HydrophobicContact CZ2-CG 4.19Å; W362-R366 HydrophobicContact CZ3-CG 4.48Å; W362-R366 WeakPolarHBondContact O-CG 3.36Å; W362-R366 PolarHBondContact O-N 3.12Å; W362-R366 VanDerWaalsContact O-N 3.08Å
363P88.3Confident90.9Very high34 Ų3425.3 Ų25.322%0.22113%0.125CC..Hα-helixtrans-59.3-39.5174.9-23.533.7000112.9I53 S359 R366 S367I53-P363 HydrophobicContact CG1-CB 4.29Å; I53-P363 HydrophobicContact CG2-CB 3.75Å; S359-P363 WeakPolarHBondContact O-CD 3.28Å; S359-P363 VanDerWaalsContact O-CG 3.31Å; S359-P363 WeakPolarHBondContact O-CG 3.18Å; P363-R366 PolarHBondContact O-N 3.21Å; P363-S367 PolarHBondContact O-N 2.87Å
364L91.3Very high90.5Very high2 Ų229.4 Ų29.41%0.0114%0.144CC..Hα-helixtrans-66.9-39.2177.8-71.2173.4000112.3L49 I53 L183 V360 A361 W362 R366 S367 F370 F372L49-L364 HydrophobicContact CD1-CD2 4.39Å; L49-L364 HydrophobicContact CD2-CD2 4.14Å; L49-L364 HydrophobicContact CG-CD2 4.42Å; I53-L364 HydrophobicContact CD1-CD2 3.52Å; I53-L364 HydrophobicContact CD1-CG 4.25Å; L183-L364 HydrophobicContact CD1-CD1 3.59Å; V360-L364 HydrophobicContact CG1-CD1 3.69Å; V360-L364 WeakPolarHBondContact O-CD1 3.44Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.48Å; V360-L364 PolarHBondContact O-N 2.85Å; A361-L364 PolarHBondContact O-N 2.95Å; W362-L364 VanDerWaalsContact C-N 3.29Å; W362-L364 PolarHBondContact O-N 3.38Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.08Å; L364-S367 WeakPolarHBondContact O-CB 3.35Å; L364-S367 PolarHBondContact O-N 3.22Å; L364-S367 PolarHBondContact O-OG 3.24Å; L364-F370 HydrophobicContact CB-CB 4.26Å; L364-F370 HydrophobicContact CB-CD2 3.82Å; L364-F370 HydrophobicContact CB-CE2 4.35Å; L364-F370 HydrophobicContact CB-CG 4.04Å; L364-F370 HydrophobicContact CD2-CD2 4.02Å; L364-F370 HydrophobicContact CD2-CE2 3.68Å; L364-F370 HydrophobicContact CD2-CZ 4.16Å; L364-F370 HydrophobicContact CG-CD2 4.4Å; L364-F370 HydrophobicContact CG-CE2 4.46Å; L364-F372 HydrophobicContact CB-CE2 4.13Å; L364-F372 HydrophobicContact CB-CZ 4.23Å; L364-F372 HydrophobicContact CD1-CZ 4.47Å
365Q90.8Very high90.2Very high68 Ų6830 Ų3032%0.31815%0.148SC..Hα-helixtrans-65.3-36.5175.3-174.4159.6-58.800111.6F65 A361 W362 S367 G368 F372F65-Q365 HydrophobicContact CZ-CB 4Å; F65-Q365 VanDerWaalsContact CZ-CD 3.42Å; F65-Q365 HydrophobicContact CZ-CG 4.28Å; A361-Q365 WeakPolarHBondContact O-CB 3.48Å; A361-Q365 PolarHBondContact O-N 3.26Å; W362-Q365 PolarHBondContact O-N 3.43Å; Q365-S367 PolarHBondContact O-N 3.25Å; Q365-G368 PolarHBondContact O-N 2.89Å; Q365-F372 HydrophobicContact CB-CD2 4.01Å; Q365-F372 HydrophobicContact CB-CE2 4.18Å
366R88.6Confident89.8Confident161 Ų16131.8 Ų31.861%0.60816%0.155SC*.Hα-helixtrans-64.3-22.1177.7-73.8-169.366.4-174.5-1.7114W362 P363 L364 G368W362-R366 HydrophobicContact CD2-CG 4.27Å; W362-R366 HydrophobicContact CE3-CG 4.43Å; W362-R366 HydrophobicContact CH2-CG 4.38Å; W362-R366 HydrophobicContact CZ2-CG 4.19Å; W362-R366 HydrophobicContact CZ3-CG 4.48Å; W362-R366 WeakPolarHBondContact O-CG 3.36Å; W362-R366 PolarHBondContact O-N 3.12Å; W362-R366 VanDerWaalsContact O-N 3.08Å; P363-R366 PolarHBondContact O-N 3.21Å; L364-R366 VanDerWaalsContact C-N 3.3Å; L364-R366 PolarHBondContact O-N 3.08Å; R366-G368 PolarHBondContact O-N 3.49Å
367S86.9Confident89.8Confident16 Ų1631 Ų3111%0.11215%0.151CC..THydrogen-bonded Turntrans-65.8-15.2171.574.90000113.3P363 L364 Q365 I369P363-S367 PolarHBondContact O-N 2.87Å; L364-S367 WeakPolarHBondContact O-CB 3.35Å; L364-S367 PolarHBondContact O-N 3.22Å; L364-S367 PolarHBondContact O-OG 3.24Å; Q365-S367 PolarHBondContact O-N 3.25Å; S367-I369 PolarHBondContact O-N 3.11Å; S367-I369 WeakPolarHBondContact OG-CB 3.42Å; S367-I369 PolarHBondContact OG-N 3.03Å
368G89.2Confident89.7Confident30 Ų3031 Ų3131%0.30915%0.152SC..THydrogen-bonded Turntrans74.7-5.2-173.500000114.3Q365 R366 H371 S387Q365-G368 PolarHBondContact O-N 2.89Å; R366-G368 PolarHBondContact O-N 3.49Å; G368-H371 PolarHBondContact O-CE1 2.94Å; G368-S387 PolarHBondContact O-OG 3.38Å
369I92.2Very high90Very high0 Ų031.3 Ų31.30%015%0.153CC..SBendtrans-79.6-47.2178.7-58.9-67.4000110.9F47 L152 P155 V179 S367 H371 S387F47-I369 HydrophobicContact CE1-CD1 4.29Å; F47-I369 HydrophobicContact CZ-CD1 4.02Å; F47-I369 HydrophobicContact CZ-CG1 3.92Å; L152-I369 HydrophobicContact CD1-CD1 4.43Å; L152-I369 HydrophobicContact CD1-CG1 4.16Å; L152-I369 HydrophobicContact CD1-CG2 4.27Å; P155-I369 HydrophobicContact CG-CD1 3.87Å; P155-I369 HydrophobicContact CG-CG1 4.47Å; V179-I369 HydrophobicContact CG1-CG2 3.9Å; V179-I369 HydrophobicContact CG2-CG2 4.23Å; S367-I369 PolarHBondContact O-N 3.11Å; S367-I369 WeakPolarHBondContact OG-CB 3.42Å; S367-I369 PolarHBondContact OG-N 3.03Å; I369-H371 PolarHBondContact O-ND1 3.49Å; I369-S387 WeakPolarHBondContact O-CB 3.49Å
370F94.1Very high90.5Very high3 Ų330.1 Ų30.11%0.01314%0.144CC..  trans-94.6131.4-173.8-64.8-100.6000111.5L49 V179 L364 F372 V381L49-F370 HydrophobicContact CD1-CE2 4.17Å; L49-F370 HydrophobicContact CD2-CE2 3.82Å; L49-F370 HydrophobicContact CD2-CZ 4.14Å; V179-F370 HydrophobicContact CG2-CE2 4.13Å; V179-F370 HydrophobicContact CG2-CZ 3.75Å; L364-F370 HydrophobicContact CB-CB 4.26Å; L364-F370 HydrophobicContact CB-CD2 3.82Å; L364-F370 HydrophobicContact CB-CE2 4.35Å; L364-F370 HydrophobicContact CB-CG 4.04Å; L364-F370 HydrophobicContact CD2-CD2 4.02Å; L364-F370 HydrophobicContact CD2-CE2 3.68Å; L364-F370 HydrophobicContact CD2-CZ 4.16Å; L364-F370 HydrophobicContact CG-CD2 4.4Å; L364-F370 HydrophobicContact CG-CE2 4.46Å; F370-F372 HydrophobicContact CB-CD2 4.24Å; F370-F372 HydrophobicContact CB-CE2 3.5Å; F370-F372 HydrophobicContact CB-CZ 3.82Å; F370-F372 HydrophobicContact CD1-CZ 4.18Å; F370-F372 HydrophobicContact CG-CE2 4.36Å; F370-F372 HydrophobicContact CG-CZ 4.26Å; F370-V381 HydrophobicContact CD1-CG1 4.37Å; F370-V381 HydrophobicContact CD1-CG2 4.04Å
371H94Very high90.9Very high54 Ų5430.1 Ų30.125%0.2514%0.144CC..  trans-116.2115.3174-61.677.6000108.2G368 I369 V381 I382G368-H371 PolarHBondContact O-CE1 2.94Å; I369-H371 PolarHBondContact O-ND1 3.49Å; H371-V381 WeakPolarHBondContact O-CA 3.4Å; H371-I382 HydrophobicContact CB-CG1 4.02Å; H371-I382 VanDerWaalsContact O-CG1 3.31Å; H371-I382 WeakPolarHBondContact O-CG1 3.46Å; H371-I382 PolarHBondContact O-N 3.32Å
372F93.5Very high91.2Very high17 Ų1730.8 Ų30.88%0.07515%0.148CC..EExtended strand (participates in β ladder)trans-99.4143.8-177.3-65.1-83000112.4F65 L183 A361 L364 Q365 F370 L379 Q380 V381F65-F372 HydrophobicContact CE1-CB 3.84Å; F65-F372 AromaticContact CE1-CD2 3.87Å; F65-F372 HydrophobicContact CE1-CD2 3.87Å; F65-F372 HydrophobicContact CE1-CG 4.06Å; F65-F372 HydrophobicContact CZ-CD2 4.49Å; L183-F372 HydrophobicContact CD2-CE1 3.8Å; L183-F372 HydrophobicContact CD2-CZ 4.35Å; A361-F372 HydrophobicContact CB-CD2 4.28Å; A361-F372 HydrophobicContact CB-CE1 4.43Å; A361-F372 HydrophobicContact CB-CE2 4.12Å; A361-F372 HydrophobicContact CB-CZ 4.2Å; A361-F372 VanDerWaalsContact O-CE2 3.29Å; A361-F372 WeakPolarHBondContact O-CE2 3.4Å; L364-F372 HydrophobicContact CB-CE2 4.13Å; L364-F372 HydrophobicContact CB-CZ 4.23Å; L364-F372 HydrophobicContact CD1-CZ 4.47Å; Q365-F372 HydrophobicContact CB-CD2 4.01Å; Q365-F372 HydrophobicContact CB-CE2 4.18Å; F370-F372 HydrophobicContact CB-CD2 4.24Å; F370-F372 HydrophobicContact CB-CE2 3.5Å; F370-F372 HydrophobicContact CB-CZ 3.82Å; F370-F372 HydrophobicContact CD1-CZ 4.18Å; F370-F372 HydrophobicContact CG-CE2 4.36Å; F370-F372 HydrophobicContact CG-CZ 4.26Å; F372-L379 HydrophobicContact CD1-CB 4.09Å; F372-L379 HydrophobicContact CE1-CB 4.12Å; F372-L379 HydrophobicContact CE1-CD1 4.24Å; F372-Q380 CarbonylContact C-O 3.59Å; F372-Q380 VanDerWaalsContact CA-O 3.31Å; F372-Q380 WeakPolarHBondContact CA-O 3.47Å; F372-V381 HydrophobicContact CD1-CG2 4.03Å; F372-V381 HydrophobicContact CE1-CG2 3.58Å; F372-V381 HydrophobicContact CZ-CG2 4.28Å
373H91.4Very high91.6Very high40 Ų4028.1 Ų28.119%0.18514%0.138CC..EExtended strand (participates in β ladder)trans-103.8138.4162.3-177.577.2000108.7Y7 C375 Q380 I382Y7-H373 AromaticContact CD1-CE1 3.91Å; Y7-H373 AromaticContact CD1-CG 3.95Å; Y7-H373 AromaticContact CD1-ND1 3.81Å; Y7-H373 HydrophobicContact CE1-CB 4.11Å; Y7-H373 AromaticContact CE1-CD2 3.66Å; Y7-H373 AromaticContact CE1-CG 3.69Å; Y7-H373 AromaticContact CE1-NE2 3.98Å; H373-C375 PolarHBondContact O-N 3.08Å; H373-Q380 HydrophobicContact CB-CB 4.16Å; H373-Q380 HydrophobicContact CB-CG 4.2Å; H373-Q380 PolarHBondContact N-O 3.33Å; H373-I382 HydrophobicContact CB-CD1 4.47Å; H373-I382 HydrophobicContact CB-CG2 3.69Å
374H84.1Confident91.8Very high85 Ų8527.1 Ų27.139%0.39413%0.132SC..EExtended strand (participates in β ladder)trans-66.6129.1176.9178.3-84.5000109.6
375C87.9Confident91.7Very high13 Ų1330.4 Ų30.49%0.08815%0.151CC..  trans-125.3165.7174.7-74.40000108.8L67 D336 H373 G378 Q380 Y393L67-C375 WeakPolarHBondContact CD2-O 3.21Å; D336-C375 WeakPolarHBondContact OD2-CB 3.46Å; H373-C375 PolarHBondContact O-N 3.08Å; C375-G378 WeakPolarHBondContact CB-O 3.5Å; C375-Q380 WeakPolarHBondContact SG-CB 3.36Å; C375-Y393 HydrophobicContact CB-CE2 4.29Å
376R88.3Confident91.6Very high38 Ų3832.2 Ų32.214%0.14316%0.163CC..SBendtrans-78.6-37.2-175.1-172.4171.4173.7-157.5-13.1112.7D336 E340D336-R376 PolarHBondContact OD2-N 3.1Å; E340-R376 IonicContact OE1-CZ 3.48Å; E340-R376 IonicContact OE1-NH1 2.7Å; E340-R376 PolarHBondContact OE1-NH1 2.93Å; E340-R376 IonicContact OE1-NH2 3.59Å; E340-R376 IonicContact OE2-NH1 3.84Å
377Y92Very high91.7Very high1 Ų124.6 Ų24.60%0.00413%0.134CC..SBendtrans-122.9-22-175.7-55.2-64.1000114L67 V135 D336 I339 E340 V354 C395L67-Y377 WeakPolarHBondContact CD1-O 3.31Å; V135-Y377 HydrophobicContact CB-CE1 3.76Å; V135-Y377 HydrophobicContact CG1-CD1 4.13Å; V135-Y377 HydrophobicContact CG1-CE1 3.85Å; V135-Y377 HydrophobicContact CG2-CE1 3.71Å; D336-Y377 HydrophobicContact CB-CD2 4.02Å; D336-Y377 PolarHBondContact OD1-N 2.8Å; I339-Y377 HydrophobicContact CB-CD2 4.03Å; I339-Y377 HydrophobicContact CB-CG 4.36Å; I339-Y377 HydrophobicContact CG2-CD2 3.95Å; I339-Y377 HydrophobicContact CG2-CG 3.84Å; E340-Y377 HydrophobicContact CB-CE2 3.87Å; E340-Y377 HydrophobicContact CG-CE2 4.46Å; V354-Y377 WeakPolarHBondContact CG1-O 3.45Å; V354-Y377 HydrophobicContact CG2-CD1 4.16Å; Y377-C395 PolarHBondContact O-SG 2.93Å
378G92.5Very high92Very high3 Ų324.2 Ų24.23%0.03113%0.131CC..SBendtrans-127.4-167-177.800000114.7C375 Y393 V394C375-G378 WeakPolarHBondContact CB-O 3.5Å; G378-Y393 PolarHBondContact N-OH 3.24Å; G378-V394 CarbonylContact C-O 3.57Å; G378-V394 WeakPolarHBondContact CA-O 3.21Å
379L94.7Very high92.2Very high8 Ų822.8 Ų22.84%0.04212%0.116CC..EExtended strand (participates in β ladder)trans-110.6132.8170.8-60.1177.4000109L183 L357 A361 F372 Y393 V394L183-L379 HydrophobicContact CD2-CB 4.46Å; L183-L379 HydrophobicContact CD2-CD1 4.41Å; L357-L379 HydrophobicContact CB-CD1 3.58Å; L357-L379 HydrophobicContact CB-CG 3.99Å; L357-L379 HydrophobicContact CD1-CD1 4.31Å; A361-L379 HydrophobicContact CB-CD1 3.78Å; A361-L379 HydrophobicContact CB-CD2 3.73Å; A361-L379 HydrophobicContact CB-CG 4.4Å; F372-L379 HydrophobicContact CD1-CB 4.09Å; F372-L379 HydrophobicContact CE1-CB 4.12Å; F372-L379 HydrophobicContact CE1-CD1 4.24Å; L379-Y393 CarbonylContact O-C 3.59Å; L379-Y393 VanDerWaalsContact O-CA 3.32Å; L379-Y393 WeakPolarHBondContact O-CA 3.3Å; L379-V394 PolarHBondContact N-O 3.47Å; L379-V394 PolarHBondContact O-N 3.45Å
380Q96Very high92.3Very high1 Ų122.8 Ų22.81%0.00512%0.117CC..EExtended strand (participates in β ladder)trans-113.3108.3173.6177.571.17000110.5T329 L330 N335 F372 H373 C375 I382 M392T329-Q380 PolarHBondContact O-OE1 3.43Å; L330-Q380 HydrophobicContact CD2-CG 4.34Å; N335-Q380 PolarHBondContact ND2-OE1 3.13Å; F372-Q380 CarbonylContact C-O 3.59Å; F372-Q380 VanDerWaalsContact CA-O 3.31Å; F372-Q380 WeakPolarHBondContact CA-O 3.47Å; H373-Q380 HydrophobicContact CB-CB 4.16Å; H373-Q380 HydrophobicContact CB-CG 4.2Å; H373-Q380 PolarHBondContact N-O 3.33Å; C375-Q380 WeakPolarHBondContact SG-CB 3.36Å; Q380-I382 HydrophobicContact CG-CG2 3.92Å; Q380-I382 PolarHBondContact O-N 2.93Å; Q380-M392 PolarHBondContact NE2-O 3.13Å
381V96.6Very high92.4Very high0 Ų022.8 Ų22.80%012%0.117CC..EExtended strand (participates in β ladder)trans-73125165.8-175.90000108.3A180 L183 F370 H371 F372 P391 M392A180-V381 HydrophobicContact CB-CB 4.36Å; A180-V381 HydrophobicContact CB-CG1 4.06Å; L183-V381 HydrophobicContact CD2-CG2 3.77Å; F370-V381 HydrophobicContact CD1-CG1 4.37Å; F370-V381 HydrophobicContact CD1-CG2 4.04Å; H371-V381 WeakPolarHBondContact O-CA 3.4Å; F372-V381 HydrophobicContact CD1-CG2 4.03Å; F372-V381 HydrophobicContact CE1-CG2 3.58Å; F372-V381 HydrophobicContact CZ-CG2 4.28Å; V381-P391 WeakPolarHBondContact O-CA 3.15Å; V381-M392 HydrophobicContact CB-CB 4.15Å; V381-M392 HydrophobicContact CG2-CB 4.33Å; V381-M392 PolarHBondContact N-O 3.12Å; V381-M392 PolarHBondContact O-N 3.31Å
382I95.3Very high92.5Very high15 Ų1520.3 Ų20.38%0.07711%0.106CC..  trans-108.3137.4177.556.1168.3000110.9Y7 K10 I14 L330 H371 H373 Q380Y7-I382 HydrophobicContact CD1-CG2 4.34Å; Y7-I382 HydrophobicContact CE1-CG2 3.81Å; K10-I382 HydrophobicContact CD-CD1 4.46Å; I14-I382 HydrophobicContact CD1-CB 4.03Å; I14-I382 HydrophobicContact CD1-CD1 3.88Å; I14-I382 HydrophobicContact CD1-CG2 4Å; I14-I382 HydrophobicContact CG1-CB 4.1Å; I14-I382 HydrophobicContact CG1-CD1 4.08Å; L330-I382 HydrophobicContact CD2-CG2 3.92Å; H371-I382 HydrophobicContact CB-CG1 4.02Å; H371-I382 VanDerWaalsContact O-CG1 3.31Å; H371-I382 WeakPolarHBondContact O-CG1 3.46Å; H371-I382 PolarHBondContact O-N 3.32Å; H373-I382 HydrophobicContact CB-CD1 4.47Å; H373-I382 HydrophobicContact CB-CG2 3.69Å; Q380-I382 HydrophobicContact CG-CG2 3.92Å; Q380-I382 PolarHBondContact O-N 2.93Å
383P95.4Very high92.7Very high1 Ų119.5 Ų19.51%0.00610%0.102CC..  trans-55.8137.7173.1-3136.8000113.8L18 C389 P391L18-P383 HydrophobicContact CD2-CG 3.79Å; L18-P383 HydrophobicContact CG-CB 4.47Å; L18-P383 HydrophobicContact CG-CG 4.02Å; P383-C389 WeakPolarHBondContact CA-O 3.26Å; P383-P391 HydrophobicContact CG-CB 4.42Å
384S92.6Very high93Very high14 Ų1417.6 Ų17.610%0.0989%0.093CC..  trans-143.6135.5175.7175.50000109.7L386 S387 N388S384-L386 PolarHBondContact O-N 2.81Å; S384-L386 VanDerWaalsContact O-N 3.14Å; S384-S387 CarbonylContact O-C 3.5Å; S384-S387 PolarHBondContact O-N 3.31Å; S384-N388 WeakPolarHBondContact O-CA 3.31Å; S384-N388 WeakPolarHBondContact O-CB 3.37Å; S384-N388 PolarHBondContact O-N 2.77Å
385V90Very high93.7Very high70 Ų7013.6 Ų13.642%0.4247%0.074SC..THydrogen-bonded Turntrans-61.3-24.8-177.6-67.20000113.9L16 S387L16-V385 HydrophobicContact CB-CG1 4.41Å; L16-V385 HydrophobicContact CD2-CG1 3.8Å; L16-V385 HydrophobicContact CG-CG1 3.74Å; V385-S387 VanDerWaalsContact C-N 3.34Å
386L88.6Confident94.1Very high107 Ų10713 Ų1356%0.567%0.07SC*.THydrogen-bonded Turntrans-73.2-26.7177.2-66.4175.6000112.7G156 S384G156-L386 PolarHBondContact N-O 3.33Å; S384-L386 PolarHBondContact O-N 2.81Å; S384-L386 VanDerWaalsContact O-N 3.14Å
387S90.4Very high94.5Very high1 Ų111.1 Ų11.11%0.0076%0.063CC..SBendtrans-156.883.6177-74.70000108G368 I369 S384 V385 C389G368-S387 PolarHBondContact O-OG 3.38Å; I369-S387 WeakPolarHBondContact O-CB 3.49Å; S384-S387 CarbonylContact O-C 3.5Å; S384-S387 PolarHBondContact O-N 3.31Å; V385-S387 VanDerWaalsContact C-N 3.34Å; S387-C389 PolarHBondContact O-N 3.49Å
388N94.1Very high94.7Very high7 Ų712.7 Ų12.74%0.0377%0.072CC..  trans-81.565.7-162.3-165.316.7000113.2G17 S20 D21 P22 K23 R281 S384G17-N388 WeakPolarHBondContact CA-OD1 3.39Å; G17-N388 PolarHBondContact O-ND2 2.81Å; G17-N388 PolarHBondContact O-OD1 3.49Å; S20-N388 PolarHBondContact O-ND2 3.39Å; D21-N388 PolarHBondContact O-ND2 2.89Å; P22-N388 CarbonylContact C-O 3.56Å; P22-N388 WeakPolarHBondContact CA-O 3.3Å; K23-N388 PolarHBondContact N-O 3.2Å; R281-N388 PolarHBondContact NH2-OD1 2.94Å; S384-N388 WeakPolarHBondContact O-CA 3.31Å; S384-N388 WeakPolarHBondContact O-CB 3.37Å; S384-N388 PolarHBondContact O-N 2.77Å
389C93.6Very high94.8Very high0 Ų014.4 Ų14.40%08%0.078CC..  trans-100.2161.2176.6670000112.5D178 V179 A180 P383 S387D178-C389 WeakPolarHBondContact OD1-CA 3.48Å; D178-C389 WeakPolarHBondContact OD1-CB 3.28Å; V179-C389 HydrophobicContact CG1-CB 3.14Å; A180-C389 HydrophobicContact CB-CB 4.12Å; P383-C389 WeakPolarHBondContact CA-O 3.26Å; S387-C389 PolarHBondContact O-N 3.49Å
390G92.8Very high94.5Very high1 Ų117.3 Ų17.31%0.019%0.092CC..  trans73.1-166.1178.700000113.5D178 R281D178-G390 VanDerWaalsContact CG-N 3.31Å; D178-G390 PolarHBondContact OD1-N 3.31Å; D178-G390 VanDerWaalsContact OD2-CA 3.26Å; D178-G390 WeakPolarHBondContact OD2-CA 3.32Å; D178-G390 PolarHBondContact OD2-N 2.96Å; R281-G390 VanDerWaalsContact CZ-O 3.3Å; R281-G390 PolarHBondContact NE-O 3.48Å; R281-G390 PolarHBondContact NH2-O 2.85Å
391P95.7Very high93.8Very high3 Ų325.1 Ų25.12%0.01914%0.14CC..  cis-69.7148.712.328.8-35.4000113.5L18 D280 C328 L330 V381 P383L18-P391 HydrophobicContact CD2-CG 4.14Å; D280-P391 HydrophobicContact CB-CG 4.31Å; C328-P391 VanDerWaalsContact CA-O 3.28Å; C328-P391 WeakPolarHBondContact CA-O 3.42Å; C328-P391 WeakPolarHBondContact CB-O 3.49Å; C328-P391 WeakPolarHBondContact O-CG 3.48Å; L330-P391 HydrophobicContact CD2-CB 3.63Å; L330-P391 HydrophobicContact CG-CB 3.7Å; L330-P391 HydrophobicContact CG-CG 4.14Å; V381-P391 WeakPolarHBondContact O-CA 3.15Å; P383-P391 HydrophobicContact CG-CB 4.42Å
392M97Very high93.6Very high2 Ų226.4 Ų26.41%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-146.3118.6173.5-174.567.752.600110.1A180 S181 P184 T327 C328 Q380 V381 V394A180-M392 HydrophobicContact CB-CB 3.63Å; A180-M392 HydrophobicContact CB-CG 4.41Å; A180-M392 WeakPolarHBondContact O-CG 3.11Å; S181-M392 WeakPolarHBondContact OG-CE 3.37Å; P184-M392 HydrophobicContact CG-CG 4.23Å; P184-M392 HydrophobicContact CG-SD 3.81Å; T327-M392 CarbonylContact O-C 3.36Å; T327-M392 WeakPolarHBondContact O-CA 3.2Å; C328-M392 HydrophobicContact CB-CE 4.42Å; Q380-M392 PolarHBondContact NE2-O 3.13Å; V381-M392 HydrophobicContact CB-CB 4.15Å; V381-M392 HydrophobicContact CG2-CB 4.33Å; V381-M392 PolarHBondContact N-O 3.12Å; V381-M392 PolarHBondContact O-N 3.31Å; M392-V394 HydrophobicContact CG-CG2 3.82Å
393Y98Very high93.6Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-94.6140167.5177.4-105.5000109.7Y325 S326 T327 N335 D336 I339 C375 G378 L379 C395Y325-Y393 AromaticContact CD1-CD1 3.98Å; Y325-Y393 HydrophobicContact CD1-CD1 3.98Å; Y325-Y393 AromaticContact CD1-CE1 3.71Å; Y325-Y393 HydrophobicContact CD1-CE1 3.71Å; Y325-Y393 AromaticContact CE1-CD1 3.92Å; Y325-Y393 HydrophobicContact CE1-CD1 3.92Å; Y325-Y393 AromaticContact CE1-CE1 3.84Å; Y325-Y393 HydrophobicContact CE1-CE1 3.84Å; S326-Y393 WeakPolarHBondContact CA-O 3.43Å; S326-Y393 WeakPolarHBondContact CB-O 3.45Å; T327-Y393 PolarHBondContact N-O 3.14Å; T327-Y393 VanDerWaalsContact N-O 3.17Å; T327-Y393 PolarHBondContact O-N 2.94Å; N335-Y393 HydrophobicContact CB-CD1 3.71Å; N335-Y393 HydrophobicContact CB-CD2 3.74Å; N335-Y393 HydrophobicContact CB-CE1 3.85Å; N335-Y393 HydrophobicContact CB-CE2 3.9Å; N335-Y393 HydrophobicContact CB-CG 3.65Å; N335-Y393 VanDerWaalsContact CG-CG 3.45Å; N335-Y393 WeakPolarHBondContact ND2-CB 3.14Å; D336-Y393 PolarHBondContact OD1-OH 3.23Å; I339-Y393 HydrophobicContact CG1-CE1 4.36Å; C375-Y393 HydrophobicContact CB-CE2 4.29Å; G378-Y393 PolarHBondContact N-OH 3.24Å; L379-Y393 CarbonylContact O-C 3.59Å; L379-Y393 VanDerWaalsContact O-CA 3.32Å; L379-Y393 WeakPolarHBondContact O-CA 3.3Å; Y393-C395 HydrophobicContact CE1-CB 3.81Å; Y393-C395 WeakPolarHBondContact OH-CB 3.46Å
394V97.9Very high93.5Very high0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-140.5125.2177.5-174.30000110.1L183 P184 A187 V324 Y325 L357 G378 L379 M392L183-V394 HydrophobicContact CB-CG2 4.14Å; L183-V394 HydrophobicContact CD2-CB 4.16Å; L183-V394 HydrophobicContact CD2-CG2 3.66Å; L183-V394 HydrophobicContact CG-CB 4.27Å; L183-V394 HydrophobicContact CG-CG2 3.73Å; P184-V394 HydrophobicContact CB-CG2 4.47Å; P184-V394 HydrophobicContact CG-CG2 3.75Å; A187-V394 HydrophobicContact CB-CG1 3.7Å; V324-V394 HydrophobicContact CG1-CG1 3.69Å; Y325-V394 CarbonylContact O-C 3.58Å; Y325-V394 WeakPolarHBondContact O-CA 3.42Å; L357-V394 HydrophobicContact CD1-CG1 4.17Å; G378-V394 CarbonylContact C-O 3.57Å; G378-V394 WeakPolarHBondContact CA-O 3.21Å; L379-V394 PolarHBondContact N-O 3.47Å; L379-V394 PolarHBondContact O-N 3.45Å; M392-V394 HydrophobicContact CG-CG2 3.82Å
395C97.7Very high93.5Very high0 Ų029.3 Ų29.30%016%0.163CC..EExtended strand (participates in β ladder)trans-130133.5173179.20000109.1V324 Y325 I339 Y377 Y393V324-C395 CarbonylContact C-O 3.49Å; V324-C395 WeakPolarHBondContact CA-O 3.34Å; Y325-C395 PolarHBondContact N-O 3.13Å; Y325-C395 PolarHBondContact O-N 2.91Å; I339-C395 HydrophobicContact CD1-CB 4.02Å; I339-C395 HydrophobicContact CG1-CB 4.11Å; Y377-C395 PolarHBondContact O-SG 2.93Å; Y393-C395 HydrophobicContact CE1-CB 3.81Å; Y393-C395 WeakPolarHBondContact OH-CB 3.46Å
396K97.7Very high93.7Very high0 Ų026.8 Ų26.80%015%0.147CC..EExtended strand (participates in β ladder)trans-107.4128.5176.5178.8179.3-163.11510109.9Y140 A187 L188 S322 L323 V324 C355 L357Y140-K396 HydrophobicContact CD1-CD 4.14Å; Y140-K396 HydrophobicContact CE1-CD 4.05Å; Y140-K396 HydrophobicContact CE2-CD 4.46Å; Y140-K396 HydrophobicContact CG-CD 4.41Å; Y140-K396 VanDerWaalsContact CZ-CE 3.49Å; Y140-K396 PolarHBondContact OH-NZ 3.44Å; A187-K396 VanDerWaalsContact O-CD 3.28Å; A187-K396 WeakPolarHBondContact O-CD 3.41Å; A187-K396 WeakPolarHBondContact O-CE 3.43Å; A187-K396 PolarHBondContact O-NZ 3.2Å; L188-K396 PolarHBondContact O-NZ 3.28Å; L188-K396 VanDerWaalsContact O-NZ 3.16Å; S322-K396 WeakPolarHBondContact OG-CE 3.39Å; L323-K396 CarbonylContact O-C 3.56Å; L323-K396 WeakPolarHBondContact O-CA 3.28Å; V324-K396 HydrophobicContact CG2-CB 4.15Å; V324-K396 HydrophobicContact CG2-CG 4.14Å; C355-K396 HydrophobicContact CB-CB 3.84Å; C355-K396 HydrophobicContact CB-CD 3.82Å; C355-K396 HydrophobicContact CB-CG 3.78Å; C355-K396 PolarHBondContact N-O 3.18Å; L357-K396 HydrophobicContact CD1-CB 4.03Å; L357-K396 HydrophobicContact CD2-CB 4.11Å; L357-K396 HydrophobicContact CD2-CD 4.12Å; L357-K396 HydrophobicContact CG-CB 4.28Å
397L96.9Very high94.1Very high0 Ų021.4 Ų21.40%012%0.119CC..EExtended strand (participates in β ladder)trans-112.6136.5176.6-53.7-173.5000109.4I310 L314 S322 L323 I339 M343 V352 A353 V354I310-L397 HydrophobicContact CG2-CD1 3.77Å; L314-L397 HydrophobicContact CD1-CD1 4.37Å; L314-L397 HydrophobicContact CD2-CB 4.21Å; L314-L397 HydrophobicContact CD2-CD1 4.26Å; S322-L397 CarbonylContact C-O 3.58Å; S322-L397 WeakPolarHBondContact CA-O 3.46Å; S322-L397 WeakPolarHBondContact CB-O 3.43Å; L323-L397 HydrophobicContact CD2-CD1 4.33Å; L323-L397 PolarHBondContact N-O 3.05Å; L323-L397 PolarHBondContact O-N 2.75Å; I339-L397 HydrophobicContact CG2-CD2 4.38Å; M343-L397 HydrophobicContact CE-CD1 3.74Å; M343-L397 HydrophobicContact CE-CD2 3.27Å; M343-L397 HydrophobicContact CE-CG 4.05Å; V352-L397 HydrophobicContact CG1-CB 4.01Å; A353-L397 CarbonylContact O-C 3.53Å; A353-L397 WeakPolarHBondContact O-CA 3.47Å; V354-L397 HydrophobicContact CG2-CD2 3.8Å
398L95.6Very high94.3Very high34 Ų3422.9 Ų22.918%0.17813%0.127CC..EExtended strand (participates in β ladder)trans-112.3122.2177.3-179.767.4000109.2V138 V352 A353 M400V138-L398 HydrophobicContact CG2-CD2 4.48Å; V352-L398 WeakPolarHBondContact CA-O 3.22Å; A353-L398 PolarHBondContact N-O 3.43Å; A353-L398 PolarHBondContact O-N 3.5Å; L398-M400 HydrophobicContact CD2-SD 3.8Å; L398-M400 HydrophobicContact CG-SD 4.25Å; L398-M400 PolarHBondContact O-N 2.89Å
399K94.1Very high94.3Very high39 Ų3924.1 Ų24.117%0.1713%0.134CC..EExtended strand (participates in β ladder)trans-79.8108.1168.8-177.8175.2175-177.40107.2E266 L317 G320 G321E266-K399 IonicContact OE1-NZ 2.83Å; E266-K399 PolarHBondContact OE1-NZ 2.81Å; L317-K399 HydrophobicContact CB-CB 4.29Å; L317-K399 HydrophobicContact CB-CD 3.82Å; L317-K399 HydrophobicContact CD1-CB 3.95Å; L317-K399 PolarHBondContact O-NZ 2.72Å; G320-K399 CarbonylContact C-O 3.6Å; G320-K399 WeakPolarHBondContact CA-O 3.44Å; G320-K399 PolarHBondContact N-O 3.13Å; G321-K399 PolarHBondContact O-N 3.45Å
400M87.7Confident94.4Very high69 Ų6926.1 Ų26.134%0.3415%0.145SC..  trans-66.4156.4179.5-55-72.7-125.900110.2V138 K351 A353 L398V138-M400 HydrophobicContact CG1-CE 4.29Å; K351-M400 HydrophobicContact CB-CB 3.62Å; K351-M400 HydrophobicContact CB-CG 3.86Å; K351-M400 WeakPolarHBondContact O-CB 3.33Å; K351-M400 WeakPolarHBondContact O-CG 3.08Å; K351-M400 PolarHBondContact O-N 2.94Å; A353-M400 HydrophobicContact CB-CE 4Å; A353-M400 HydrophobicContact CB-SD 4.26Å; L398-M400 HydrophobicContact CD2-SD 3.8Å; L398-M400 HydrophobicContact CG-SD 4.25Å; L398-M400 PolarHBondContact O-N 2.89Å
401T81.9Confident94.6Very high165 Ų16528.4 Ų28.4100%1.01216%0.157SC*.  trans-730-179.354.50000113.7

Retrieved 401 of 401 residues in 113.9 ms (Link to these results)

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