A0A087YCJ7_POEFO Loading...

Nucleotide-binding oligomerization domain containing 2

AlphaFold DB , UniProt , Accession A0A087YCJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 991 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
1M40.9Very low68.2Low242 Ų24298.1 Ų98.1100%1.19250%0.503SS*.  0127.90-76.1173.6173.500106.9T3M1-T3 PolarHBondContact O-N 3.22Å
2K42.5Very low69.4Low212 Ų212104.1 Ų104.192%0.92252%0.523SS*.  trans-63.1120.5-177.9-73.7179.7174.5-177.80108.9C4K2-C4 PolarHBondContact O-N 3.07Å
3T51.5Low70.3Confident135 Ų135101.3 Ų101.383%0.82850%0.503SS*.  trans-58.4115.8169.137.20000107.7M1 L5M1-T3 PolarHBondContact O-N 3.22Å; T3-L5 PolarHBondContact O-N 3.31Å
4C60.7Low71.5Confident68 Ų6897.4 Ų97.446%0.45948%0.479SS..  trans-70.7123.8174.4-168.40000107K2K2-C4 PolarHBondContact O-N 3.07Å
5L73.4Confident72.1Confident99 Ų9995.5 Ų95.552%0.51849%0.485SS..  trans-61.8138.3177.3-77.6157.6000109T3 Q7 E8 L9T3-L5 PolarHBondContact O-N 3.31Å; L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.09Å; L5-E8 HydrophobicContact CB-CG 4.18Å; L5-E8 WeakPolarHBondContact O-CA 3.37Å; L5-E8 WeakPolarHBondContact O-CB 3.19Å; L5-E8 PolarHBondContact O-N 2.87Å; L5-L9 PolarHBondContact O-N 3.08Å; L5-L9 VanDerWaalsContact O-N 3.1Å
6P75.8Confident72.8Confident17 Ų1794.8 Ų94.811%0.1148%0.48CS..Hα-helixtrans-50.5-37.3-179-29.434.1000113.9L9 L10 C77 E78 F81P6-L9 PolarHBondContact O-N 3.06Å; P6-L10 PolarHBondContact O-N 2.98Å; P6-C77 HydrophobicContact CB-CB 3.67Å; P6-E78 HydrophobicContact CB-CG 3.84Å; P6-E78 HydrophobicContact CG-CG 3.37Å; P6-E78 WeakPolarHBondContact CG-OE1 3.43Å; P6-F81 WeakPolarHBondContact O-CE2 3.48Å
7Q80.9Confident73.4Confident55 Ų5589.4 Ų89.426%0.25745%0.452SS..Hα-helixtrans-64.7-38.4175.2-76.8175.7-39.900113.5L5 L10 L11 Y70 G73 C77L5-Q7 PolarHBondContact O-N 3.35Å; L5-Q7 VanDerWaalsContact O-N 3.09Å; Q7-L10 PolarHBondContact O-N 3.4Å; Q7-L11 PolarHBondContact O-N 3.3Å; Q7-Y70 HydrophobicContact CB-CD2 4.14Å; Q7-Y70 HydrophobicContact CB-CE2 3.86Å; Q7-Y70 HydrophobicContact CG-CD2 4.21Å; Q7-Y70 HydrophobicContact CG-CE2 4.28Å; Q7-Y70 PolarHBondContact NE2-O 3.22Å; Q7-G73 VanDerWaalsContact NE2-CA 3.34Å; Q7-C77 VanDerWaalsContact CG-SG 3.55Å
8E79.3Confident74.2Confident113 Ų11384.6 Ų84.653%0.52843%0.428SS..Hα-helixtrans-69.3-36.9176-67.3-178.8159.100111.1L5 L11 K12L5-E8 HydrophobicContact CB-CG 4.18Å; L5-E8 WeakPolarHBondContact O-CA 3.37Å; L5-E8 WeakPolarHBondContact O-CB 3.19Å; L5-E8 PolarHBondContact O-N 2.87Å; E8-L11 PolarHBondContact O-N 2.93Å; E8-K12 WeakPolarHBondContact O-CB 3.34Å; E8-K12 PolarHBondContact O-N 3.48Å
9L80.3Confident74.6Confident50 Ų5087.2 Ų87.226%0.26244%0.438SS..Hα-helixtrans-65.8-41.7175.9-172.466.9000111.5L5 P6 L11 K12 R13 F81L5-L9 PolarHBondContact O-N 3.08Å; L5-L9 VanDerWaalsContact O-N 3.1Å; P6-L9 PolarHBondContact O-N 3.06Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.2Å; L9-K12 PolarHBondContact O-N 3.3Å; L9-R13 HydrophobicContact CD1-CG 4.19Å; L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 PolarHBondContact O-N 3.26Å; L9-F81 HydrophobicContact CB-CE2 4.36Å; L9-F81 HydrophobicContact CB-CZ 4.25Å; L9-F81 HydrophobicContact CD2-CE2 4.17Å; L9-F81 HydrophobicContact CD2-CZ 4.1Å; L9-F81 HydrophobicContact CG-CE2 4.45Å; L9-F81 HydrophobicContact CG-CZ 4.07Å
10L82.4Confident74.9Confident2 Ų282.9 Ų82.91%0.0142%0.417CS..Hα-helixtrans-60.3-43.1177.1-166.178.3000111.4P6 Q7 R14 I17 L66 Y70 F80 F81P6-L10 PolarHBondContact O-N 2.98Å; Q7-L10 PolarHBondContact O-N 3.4Å; L10-R14 WeakPolarHBondContact O-CA 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.02Å; L10-R14 PolarHBondContact O-N 2.72Å; L10-R14 VanDerWaalsContact O-N 3.08Å; L10-I17 HydrophobicContact CD1-CD1 4.08Å; L10-L66 HydrophobicContact CD1-CD2 3.68Å; L10-L66 HydrophobicContact CD2-CD2 4.44Å; L10-L66 HydrophobicContact CG-CD2 4.21Å; L10-Y70 HydrophobicContact CD2-CD2 4.41Å; L10-F80 HydrophobicContact CD1-CD1 3.71Å; L10-F80 HydrophobicContact CD1-CE1 3.6Å; L10-F81 HydrophobicContact CB-CE2 4.25Å; L10-F81 HydrophobicContact CB-CZ 3.88Å; L10-F81 HydrophobicContact CD1-CE1 3.96Å; L10-F81 HydrophobicContact CD1-CE2 4.19Å; L10-F81 HydrophobicContact CD1-CZ 3.63Å; L10-F81 HydrophobicContact CG-CZ 4.4Å
11L83.1Confident75.2Confident86 Ų8679 Ų7945%0.4540%0.397SS..Hα-helixtrans-65.7-42.8175.1-72.5175000112Q7 E8 L9 R14 Y70Q7-L11 PolarHBondContact O-N 3.3Å; E8-L11 PolarHBondContact O-N 2.93Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 3.2Å; L11-R14 WeakPolarHBondContact O-CB 3.42Å; L11-Y70 HydrophobicContact CD1-CD2 4.46Å; L11-Y70 HydrophobicContact CD1-CE2 3.53Å; L11-Y70 HydrophobicContact CD2-CD2 4.34Å; L11-Y70 HydrophobicContact CD2-CE2 4.11Å; L11-Y70 HydrophobicContact CG-CD2 4.13Å; L11-Y70 HydrophobicContact CG-CE2 3.66Å
12K82.1Confident77.2Confident170 Ų17068.7 Ų68.774%0.73935%0.349SS*.Hα-helixtrans-67.8-36.6-177.2-169.1175.7-179.5-179.90113E8 L9E8-K12 WeakPolarHBondContact O-CB 3.34Å; E8-K12 PolarHBondContact O-N 3.48Å; L9-K12 PolarHBondContact O-N 3.3Å
13R81.4Confident78.9Confident68 Ų6861.7 Ų61.726%0.25733%0.326SS..THydrogen-bonded Turntrans-101.48.7-177.5-66.2-77-172.7169.97.6113.4L9 A15 E16 I17L9-R13 HydrophobicContact CD1-CG 4.19Å; L9-R13 WeakPolarHBondContact O-CB 3.34Å; L9-R13 PolarHBondContact O-N 3.26Å; R13-A15 VanDerWaalsContact C-N 3.31Å; R13-A15 PolarHBondContact O-N 3.34Å; R13-E16 WeakPolarHBondContact CD-OE2 3.4Å; R13-E16 IonicContact CZ-OE2 3.69Å; R13-E16 IonicContact NE-OE2 3.51Å; R13-E16 IonicContact NH1-OE1 2.69Å; R13-E16 PolarHBondContact NH1-OE1 2.75Å; R13-E16 IonicContact NH1-OE2 2.74Å; R13-E16 PolarHBondContact NH1-OE2 3.09Å; R13-E16 PolarHBondContact O-N 3.04Å; R13-I17 HydrophobicContact CB-CD1 3.93Å; R13-I17 HydrophobicContact CB-CG1 4.28Å; R13-I17 WeakPolarHBondContact O-CG1 3.37Å; R13-I17 PolarHBondContact O-N 3.29Å
14R86.6Confident79.7Confident46 Ų4657.8 Ų57.817%0.17431%0.305CS..Hα-helixtrans-52.6-44.1-170.7-164.7175.3178.6139.7-2.1113.9L10 L11 L18 R63 L66 D67L10-R14 WeakPolarHBondContact O-CA 3.31Å; L10-R14 WeakPolarHBondContact O-CB 3.02Å; L10-R14 PolarHBondContact O-N 2.72Å; L10-R14 VanDerWaalsContact O-N 3.08Å; L11-R14 WeakPolarHBondContact O-CB 3.42Å; R14-L18 HydrophobicContact CG-CD1 4.18Å; R14-L18 WeakPolarHBondContact O-CB 3.45Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.39Å; R14-L18 PolarHBondContact O-N 3.01Å; R14-R63 PolarHBondContact NH2-O 3.31Å; R14-R63 VanDerWaalsContact NH2-O 3.09Å; R14-L66 HydrophobicContact CG-CD1 3.99Å; R14-D67 IonicContact CZ-OD1 3.34Å; R14-D67 IonicContact NH1-OD1 2.78Å; R14-D67 PolarHBondContact NH1-OD1 3.09Å; R14-D67 IonicContact NH2-OD1 2.67Å; R14-D67 PolarHBondContact NH2-OD1 2.84Å; R14-D67 IonicContact NH2-OD2 3.84Å; R14-D67 PolarHBondContact NH2-OD2 3.19Å
15A81.1Confident80Confident69 Ų6958 Ų5857%0.5732%0.318SS*.Hα-helixtrans-67-38.5-178.900000112.6R13 H19R13-A15 VanDerWaalsContact C-N 3.31Å; R13-A15 PolarHBondContact O-N 3.34Å; A15-H19 WeakPolarHBondContact O-CB 3.42Å; A15-H19 PolarHBondContact O-N 3.21Å
16E82.1Confident80.1Confident85 Ų8554.7 Ų54.740%0.39730%0.303SS..Hα-helixtrans-71-41.7-179.4-59.8171.4-162.200111R13 H19 A20 L96R13-E16 WeakPolarHBondContact CD-OE2 3.4Å; R13-E16 IonicContact CZ-OE2 3.69Å; R13-E16 IonicContact NE-OE2 3.51Å; R13-E16 IonicContact NH1-OE1 2.69Å; R13-E16 PolarHBondContact NH1-OE1 2.75Å; R13-E16 IonicContact NH1-OE2 2.74Å; R13-E16 PolarHBondContact NH1-OE2 3.09Å; R13-E16 PolarHBondContact O-N 3.04Å; E16-H19 PolarHBondContact O-N 3.44Å; E16-A20 WeakPolarHBondContact O-CB 3.43Å; E16-A20 PolarHBondContact O-N 3.1Å; E16-L96 HydrophobicContact CB-CD2 3.56Å
17I84.5Confident80.4Confident3 Ų354.9 Ų54.92%0.01531%0.306CS..Hα-helixtrans-64.5-43.6175.7-61.3162.8000110.7L10 R13 H19 A20 L21 L66 F80 F81L10-I17 HydrophobicContact CD1-CD1 4.08Å; R13-I17 HydrophobicContact CB-CD1 3.93Å; R13-I17 HydrophobicContact CB-CG1 4.28Å; R13-I17 WeakPolarHBondContact O-CG1 3.37Å; R13-I17 PolarHBondContact O-N 3.29Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.42Å; I17-A20 PolarHBondContact O-N 3.26Å; I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.42Å; I17-L66 HydrophobicContact CG2-CD2 4.01Å; I17-F80 HydrophobicContact CG2-CE1 4Å; I17-F80 HydrophobicContact CG2-CZ 3.87Å; I17-F81 HydrophobicContact CD1-CE1 3.68Å; I17-F81 HydrophobicContact CD1-CZ 4.35Å
18L86.3Confident80.3Confident2 Ų255 Ų551%0.0131%0.307CS..Hα-helixtrans-59.1-45.5175.5-80.1170.1000111.7R14 C22 Y59 A62 R63 L66R14-L18 HydrophobicContact CG-CD1 4.18Å; R14-L18 WeakPolarHBondContact O-CB 3.45Å; R14-L18 VanDerWaalsContact O-CG 3.23Å; R14-L18 WeakPolarHBondContact O-CG 3.39Å; R14-L18 PolarHBondContact O-N 3.01Å; L18-C22 WeakPolarHBondContact O-CB 3.23Å; L18-C22 PolarHBondContact O-N 3.27Å; L18-C22 PolarHBondContact O-SG 3.35Å; L18-Y59 HydrophobicContact CB-CD2 4.49Å; L18-Y59 HydrophobicContact CB-CE2 3.71Å; L18-Y59 HydrophobicContact CD1-CE1 4.02Å; L18-Y59 HydrophobicContact CD1-CE2 4.41Å; L18-Y59 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y59 HydrophobicContact CG-CE2 4.46Å; L18-A62 HydrophobicContact CD2-CB 3.66Å; L18-R63 HydrophobicContact CD2-CB 4.17Å; L18-L66 HydrophobicContact CD1-CD1 4.21Å; L18-L66 HydrophobicContact CD2-CD1 3.53Å; L18-L66 HydrophobicContact CG-CD1 3.5Å; L18-L66 VanDerWaalsContact CG-CD1 3.5Å
19H82.1Confident80.5Confident134 Ų13451.2 Ų51.262%0.6229%0.289SS*.Hα-helixtrans-63.5-44.3177.3-174.8-85.2000111.4A15 E16 I17 C22 S23A15-H19 WeakPolarHBondContact O-CB 3.42Å; A15-H19 PolarHBondContact O-N 3.21Å; E16-H19 PolarHBondContact O-N 3.44Å; I17-H19 VanDerWaalsContact C-N 3.33Å; I17-H19 PolarHBondContact O-N 3.42Å; H19-C22 PolarHBondContact O-N 2.77Å; H19-S23 WeakPolarHBondContact O-CA 3.36Å; H19-S23 WeakPolarHBondContact O-CB 3.45Å; H19-S23 PolarHBondContact O-N 3.5Å
20A80.9Confident80.8Confident2 Ų248.9 Ų48.92%0.01728%0.277CS..Hα-helixtrans-62.6-47.4-179.800000112.4E16 I17 C22 S23 L88 L96E16-A20 WeakPolarHBondContact O-CB 3.43Å; E16-A20 PolarHBondContact O-N 3.1Å; I17-A20 PolarHBondContact O-N 3.26Å; A20-C22 PolarHBondContact O-N 3.44Å; A20-S23 WeakPolarHBondContact O-CB 3.4Å; A20-S23 PolarHBondContact O-N 3.32Å; A20-S23 PolarHBondContact O-OG 2.87Å; A20-L88 HydrophobicContact CB-CD1 3.67Å; A20-L88 HydrophobicContact CB-CD2 4.12Å; A20-L96 HydrophobicContact CB-CD1 4.2Å
21L81.6Confident80.9Confident1 Ų150.1 Ų50.11%0.00528%0.283CS..Hα-helixtrans-65.5-25178.1-69.5175.6000113.5I17 H29 L30 V33 F80 V84I17-L21 HydrophobicContact CG2-CD1 3.94Å; I17-L21 HydrophobicContact CG2-CG 4.35Å; I17-L21 WeakPolarHBondContact O-CG 3.39Å; I17-L21 PolarHBondContact O-N 3.42Å; L21-H29 HydrophobicContact CD2-CB 4.33Å; L21-L30 HydrophobicContact CD1-CD1 4.28Å; L21-V33 HydrophobicContact CD2-CG2 3.97Å; L21-F80 HydrophobicContact CD1-CZ 4.16Å; L21-V84 HydrophobicContact CD2-CG2 4.47Å
22C83.8Confident80.9Confident25 Ų2550.1 Ų50.117%0.16928%0.277CS..Hα-helixtrans-99.6-3.6-179.9-57.90000113.6L18 H19 A20 S24 G25 L58L18-C22 WeakPolarHBondContact O-CB 3.23Å; L18-C22 PolarHBondContact O-N 3.27Å; L18-C22 PolarHBondContact O-SG 3.35Å; H19-C22 PolarHBondContact O-N 2.77Å; A20-C22 PolarHBondContact O-N 3.44Å; C22-S24 VanDerWaalsContact C-N 3.28Å; C22-S24 PolarHBondContact O-N 2.69Å; C22-G25 PolarHBondContact O-N 3.49Å; C22-G25 VanDerWaalsContact O-N 3.13Å; C22-L58 HydrophobicContact CB-CD2 4.17Å; C22-L58 HydrophobicContact CB-CG 4.48Å
23S76.1Confident81Confident65 Ų6542 Ų4246%0.45524%0.242SC..THydrogen-bonded Turntrans-64.6-25.2-168.260.80000114.8H19 A20 G25H19-S23 WeakPolarHBondContact O-CA 3.36Å; H19-S23 WeakPolarHBondContact O-CB 3.45Å; H19-S23 PolarHBondContact O-N 3.5Å; A20-S23 WeakPolarHBondContact O-CB 3.4Å; A20-S23 PolarHBondContact O-N 3.32Å; A20-S23 PolarHBondContact O-OG 2.87Å; S23-G25 VanDerWaalsContact C-N 3.29Å; S23-G25 PolarHBondContact O-N 2.78Å
24S68.9Low81.2Confident53 Ų5339 Ų3937%0.37123%0.23SC..THydrogen-bonded Turntrans-79.4-6.6177.756.30000114.5C22 S26 H29C22-S24 VanDerWaalsContact C-N 3.28Å; C22-S24 PolarHBondContact O-N 2.69Å; S24-S26 PolarHBondContact O-N 3.14Å; S24-S26 VanDerWaalsContact O-N 3.07Å; S24-S26 PolarHBondContact OG-O 2.86Å; S24-S26 PolarHBondContact OG-OG 3.24Å; S24-H29 PolarHBondContact OG-ND1 3.32Å
25G67Low81Confident72 Ų7237.3 Ų37.374%0.74223%0.225SC*.SBendtrans67.20.4-171.400000114.3C22 S23C22-G25 PolarHBondContact O-N 3.49Å; C22-G25 VanDerWaalsContact O-N 3.13Å; S23-G25 VanDerWaalsContact C-N 3.29Å; S23-G25 PolarHBondContact O-N 2.78Å
26S76.9Confident81Confident30 Ų3035.1 Ų35.121%0.2120%0.203CC..SBendtrans-117.4156.117872.50000110.5S24 E28 L58S24-S26 PolarHBondContact O-N 3.14Å; S24-S26 VanDerWaalsContact O-N 3.07Å; S24-S26 PolarHBondContact OG-O 2.86Å; S24-S26 PolarHBondContact OG-OG 3.24Å; S26-E28 PolarHBondContact O-N 3.44Å; S26-E28 VanDerWaalsContact O-N 3.15Å; S26-E28 WeakPolarHBondContact OG-CB 3.41Å; S26-L58 VanDerWaalsContact O-CD2 3.29Å; S26-L58 WeakPolarHBondContact O-CD2 3.37Å
27A80.4Confident81Confident21 Ų2131.1 Ų31.117%0.17418%0.184CC..SBendtrans-73.73.8176.100000114H29 L30 E31 L58A27-H29 PolarHBondContact O-N 2.89Å; A27-L30 WeakPolarHBondContact O-CB 3.45Å; A27-L30 PolarHBondContact O-N 2.95Å; A27-E31 HydrophobicContact CB-CG 4.27Å; A27-E31 WeakPolarHBondContact O-CB 3.25Å; A27-E31 WeakPolarHBondContact O-CG 3.3Å; A27-E31 PolarHBondContact O-N 3.09Å; A27-L58 HydrophobicContact CB-CD1 3.77Å
28E79.9Confident80.9Confident59 Ų5931.9 Ų31.928%0.27619%0.188SC..Hα-helixtrans-64.8-45-166.4-169.3-177.716500113.8S26 L30 E31 R32S26-E28 PolarHBondContact O-N 3.44Å; S26-E28 VanDerWaalsContact O-N 3.15Å; S26-E28 WeakPolarHBondContact OG-CB 3.41Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 3.28Å; E28-E31 PolarHBondContact O-N 3.32Å; E28-R32 WeakPolarHBondContact O-CB 3.34Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 2.91Å
29H83.3Confident80.6Confident33 Ų3333.3 Ų33.315%0.15320%0.2CC..Hα-helixtrans-64-39.5176.7-67.1100.8000111.4L21 S24 A27 V33 V87L21-H29 HydrophobicContact CD2-CB 4.33Å; S24-H29 PolarHBondContact OG-ND1 3.32Å; A27-H29 PolarHBondContact O-N 2.89Å; H29-V33 WeakPolarHBondContact O-CG2 3.48Å; H29-V33 PolarHBondContact O-N 2.91Å; H29-V87 HydrophobicContact CB-CG1 4.13Å
30L85.5Confident80.5Confident0 Ų030.9 Ų30.90%019%0.189CC..Hα-helixtrans-65.3-49.1177.5-177.967.5000111.3L21 A27 E28 R32 V33 M34 L52 L58 N61 A62 L65L21-L30 HydrophobicContact CD1-CD1 4.28Å; A27-L30 WeakPolarHBondContact O-CB 3.45Å; A27-L30 PolarHBondContact O-N 2.95Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 3.28Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 3.3Å; L30-V33 PolarHBondContact O-N 3.28Å; L30-M34 HydrophobicContact CG-SD 4.21Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.49Å; L30-L52 HydrophobicContact CD2-CD2 4.15Å; L30-L58 HydrophobicContact CB-CD1 4.39Å; L30-L58 HydrophobicContact CD2-CD1 3.78Å; L30-N61 HydrophobicContact CD2-CB 3.75Å; L30-A62 HydrophobicContact CD1-CB 4.03Å; L30-A62 HydrophobicContact CD2-CB 4.32Å; L30-L65 HydrophobicContact CD1-CB 4.24Å; L30-L65 HydrophobicContact CD1-CD2 3.39Å; L30-L65 HydrophobicContact CD1-CG 4.45Å
31E85Confident80.2Confident28 Ų2833.7 Ų33.713%0.13122%0.219CC..Hα-helixtrans-61.6-39.4178.9-73.3172.2-168.300111.9A27 E28 M34 D35 L52 Q164 R167A27-E31 HydrophobicContact CB-CG 4.27Å; A27-E31 WeakPolarHBondContact O-CB 3.25Å; A27-E31 WeakPolarHBondContact O-CG 3.3Å; A27-E31 PolarHBondContact O-N 3.09Å; E28-E31 PolarHBondContact O-N 3.32Å; E31-M34 PolarHBondContact O-N 2.97Å; E31-D35 VanDerWaalsContact O-CG 3.26Å; E31-D35 PolarHBondContact O-N 3.1Å; E31-L52 HydrophobicContact CG-CD1 4.07Å; E31-L52 HydrophobicContact CG-CD2 4.27Å; E31-Q164 PolarHBondContact OE1-NE2 2.93Å; E31-Q164 WeakPolarHBondContact OE2-CG 3.43Å; E31-R167 IonicContact OE2-CZ 2.72Å; E31-R167 IonicContact OE2-NE 3.7Å; E31-R167 IonicContact OE2-NH1 3.04Å; E31-R167 PolarHBondContact OE2-NH1 3.45Å
32R83.3Confident80.3Confident87 Ų8736 Ų3633%0.32823%0.23SC..Hα-helixtrans-64.7-43.1176.3-74.4179.572.4177.7-1112.8E28 L30 M34 D35 M36 V87E28-R32 WeakPolarHBondContact O-CB 3.34Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 2.91Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 3.3Å; R32-M34 VanDerWaalsContact C-N 3.27Å; R32-M34 PolarHBondContact O-N 3.28Å; R32-D35 PolarHBondContact O-N 3.34Å; R32-M36 WeakPolarHBondContact O-CG 3.43Å; R32-M36 PolarHBondContact O-N 3.13Å; R32-M36 VanDerWaalsContact O-N 3.14Å; R32-V87 HydrophobicContact CB-CG1 3.88Å; R32-V87 HydrophobicContact CB-CG2 3.76Å
33V85.1Confident80.3Confident0 Ų035.1 Ų35.10%022%0.223CC..Hα-helixtrans-62.4-40175.2170.10000110.2L21 H29 L30 M36 L37 L65 F80 A83 V84 V87L21-V33 HydrophobicContact CD2-CG2 3.97Å; H29-V33 WeakPolarHBondContact O-CG2 3.48Å; H29-V33 PolarHBondContact O-N 2.91Å; L30-V33 PolarHBondContact O-N 3.28Å; V33-M36 PolarHBondContact O-N 2.94Å; V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 2.83Å; V33-L37 VanDerWaalsContact O-N 3.12Å; V33-L65 HydrophobicContact CG1-CD2 4.36Å; V33-F80 HydrophobicContact CG1-CD2 3.82Å; V33-F80 HydrophobicContact CG1-CE2 3.77Å; V33-A83 HydrophobicContact CG1-CB 4.04Å; V33-V84 HydrophobicContact CG1-CG2 4.13Å; V33-V84 HydrophobicContact CG2-CG2 3.98Å; V33-V87 HydrophobicContact CG2-CB 3.94Å; V33-V87 HydrophobicContact CG2-CG1 4.1Å; V33-V87 HydrophobicContact CG2-CG2 3.91Å
34M84.3Confident80.5Confident3 Ų333.7 Ų33.72%0.01522%0.218CC..Hα-helixtrans-66.4-40175.6-69.8177.56200112.8L30 E31 R32 M36 L37 L38 L43 C48 V51 L52 L65L30-M34 HydrophobicContact CG-SD 4.21Å; L30-M34 WeakPolarHBondContact O-CG 3.4Å; L30-M34 PolarHBondContact O-N 3.49Å; E31-M34 PolarHBondContact O-N 2.97Å; R32-M34 VanDerWaalsContact C-N 3.27Å; R32-M34 PolarHBondContact O-N 3.28Å; M34-M36 VanDerWaalsContact C-N 3.28Å; M34-M36 PolarHBondContact O-N 2.94Å; M34-L37 PolarHBondContact O-N 3.35Å; M34-L38 VanDerWaalsContact O-CB 3.23Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 PolarHBondContact O-N 3.25Å; M34-L43 HydrophobicContact CG-CD1 4.42Å; M34-C48 VanDerWaalsContact CE-CA 3.43Å; M34-C48 HydrophobicContact CE-CB 3.59Å; M34-V51 HydrophobicContact CE-CB 3.92Å; M34-V51 HydrophobicContact CE-CG1 3.92Å; M34-V51 HydrophobicContact SD-CB 4.35Å; M34-V51 HydrophobicContact SD-CG1 3.67Å; M34-L52 HydrophobicContact CE-CD1 3.7Å; M34-L52 HydrophobicContact CE-CG 3.8Å; M34-L52 HydrophobicContact SD-CD1 3.88Å; M34-L52 HydrophobicContact SD-CD2 4.12Å; M34-L52 HydrophobicContact SD-CG 3.82Å; M34-L65 HydrophobicContact CG-CD1 3.98Å; M34-L65 HydrophobicContact CG-CD2 3.74Å; M34-L65 HydrophobicContact CG-CG 4.5Å; M34-L65 HydrophobicContact SD-CD2 4.39Å
35D82.6Confident80.9Confident12 Ų1234.6 Ų34.66%0.06421%0.214CC..Hα-helixtrans-59.6-40.6176.3-73-34.7000111.2E31 R32 A39 R123 P124 R167E31-D35 VanDerWaalsContact O-CG 3.26Å; E31-D35 PolarHBondContact O-N 3.1Å; R32-D35 PolarHBondContact O-N 3.34Å; D35-A39 VanDerWaalsContact O-CB 3.3Å; D35-A39 WeakPolarHBondContact O-CB 3.28Å; D35-A39 PolarHBondContact O-N 2.79Å; D35-R123 IonicContact OD1-CZ 3.5Å; D35-R123 IonicContact OD1-NE 3.7Å; D35-R123 PolarHBondContact OD1-NE 2.82Å; D35-R123 IonicContact OD1-NH2 2.76Å; D35-P124 HydrophobicContact CB-CG 4.48Å; D35-R167 IonicContact OD2-CZ 3.56Å; D35-R167 IonicContact OD2-NE 3.55Å; D35-R167 PolarHBondContact OD2-NE 3.1Å; D35-R167 IonicContact OD2-NH2 3.61Å
36M80.6Confident81.5Confident23 Ų2338.2 Ų38.211%0.11321%0.211CC..Hα-helixtrans-67.1-43.4177.3-67.7178.570.800112.3R32 V33 M34 L38 A39 Q40 A83 Q86 V87 P124R32-M36 WeakPolarHBondContact O-CG 3.43Å; R32-M36 PolarHBondContact O-N 3.13Å; R32-M36 VanDerWaalsContact O-N 3.14Å; V33-M36 PolarHBondContact O-N 2.94Å; M34-M36 VanDerWaalsContact C-N 3.28Å; M34-M36 PolarHBondContact O-N 2.94Å; M36-L38 VanDerWaalsContact C-N 3.35Å; M36-A39 PolarHBondContact O-N 3.01Å; M36-Q40 WeakPolarHBondContact O-CB 3.22Å; M36-Q40 VanDerWaalsContact O-CG 3.24Å; M36-Q40 WeakPolarHBondContact O-CG 3.42Å; M36-Q40 PolarHBondContact O-N 3.41Å; M36-A83 HydrophobicContact CB-CB 3.91Å; M36-A83 HydrophobicContact CE-CB 3.97Å; M36-A83 HydrophobicContact SD-CB 3.83Å; M36-Q86 HydrophobicContact CE-CB 3.96Å; M36-Q86 VanDerWaalsContact CE-CD 3.41Å; M36-Q86 HydrophobicContact CE-CG 4.2Å; M36-Q86 HydrophobicContact SD-CB 4.3Å; M36-V87 HydrophobicContact SD-CG2 3.77Å; M36-P124 HydrophobicContact CG-CG 4.32Å
37L82.9Confident81.8Confident1 Ų138.4 Ų38.41%0.00521%0.21CC..Hα-helixtrans-69.2-34177.6-68.9172.1000112.6V33 M34 G41 E42 L43 V69 L79 F80V33-L37 HydrophobicContact CG1-CD1 4.1Å; V33-L37 WeakPolarHBondContact O-CG 3.2Å; V33-L37 PolarHBondContact O-N 2.83Å; V33-L37 VanDerWaalsContact O-N 3.12Å; M34-L37 PolarHBondContact O-N 3.35Å; L37-G41 PolarHBondContact O-N 3.1Å; L37-E42 HydrophobicContact CB-CB 4.45Å; L37-E42 HydrophobicContact CD2-CB 4.21Å; L37-E42 PolarHBondContact O-N 2.96Å; L37-L43 HydrophobicContact CB-CB 4.43Å; L37-L43 HydrophobicContact CB-CD1 3.67Å; L37-L43 HydrophobicContact CB-CG 3.79Å; L37-L43 HydrophobicContact CD1-CD1 3.9Å; L37-L43 HydrophobicContact CD1-CG 4.39Å; L37-L43 HydrophobicContact CG-CD1 4.46Å; L37-L43 PolarHBondContact O-N 2.93Å; L37-V69 HydrophobicContact CD1-CG2 4.29Å; L37-L79 HydrophobicContact CD2-CB 4.06Å; L37-F80 HydrophobicContact CD1-CB 4.34Å; L37-F80 HydrophobicContact CD1-CD2 3.94Å; L37-F80 HydrophobicContact CD2-CB 4.4Å
38L82.4Confident81.9Confident18 Ų1837.9 Ų37.99%0.09421%0.205CC..Hα-helixtrans-66.7-44.3173.1-17185.4000110.6M34 M36 Q40 G41 L43 W45 L120M34-L38 VanDerWaalsContact O-CB 3.23Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 PolarHBondContact O-N 3.25Å; M36-L38 VanDerWaalsContact C-N 3.35Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 PolarHBondContact O-N 3.21Å; L38-G41 PolarHBondContact O-N 2.75Å; L38-G41 VanDerWaalsContact O-N 3.14Å; L38-L43 WeakPolarHBondContact CD1-O 3.3Å; L38-W45 HydrophobicContact CD1-CE3 3.96Å; L38-W45 HydrophobicContact CD2-CE3 3.78Å; L38-W45 HydrophobicContact CD2-CZ3 3.72Å; L38-L120 HydrophobicContact CD2-CD2 3.91Å
39A80.3Confident81.9Confident32 Ų3240.6 Ų40.626%0.26422%0.217SC..Hα-helixtrans-64.9-30.1177.600000112.8D35 M36 G41 L120 P124D35-A39 VanDerWaalsContact O-CB 3.3Å; D35-A39 WeakPolarHBondContact O-CB 3.28Å; D35-A39 PolarHBondContact O-N 2.79Å; M36-A39 PolarHBondContact O-N 3.01Å; A39-G41 VanDerWaalsContact C-N 3.32Å; A39-L120 WeakPolarHBondContact CB-O 3.36Å; A39-P124 HydrophobicContact CB-CG 4.22Å
40Q79Confident81.8Confident83 Ų8343.6 Ų43.639%0.38824%0.235SC..THydrogen-bonded Turntrans-82.4-4.7176.1-71170.3-2.500113.7M36 L38 E42M36-Q40 WeakPolarHBondContact O-CB 3.22Å; M36-Q40 VanDerWaalsContact O-CG 3.24Å; M36-Q40 WeakPolarHBondContact O-CG 3.42Å; M36-Q40 PolarHBondContact O-N 3.41Å; L38-Q40 VanDerWaalsContact C-N 3.26Å; L38-Q40 PolarHBondContact O-N 3.21Å; Q40-E42 VanDerWaalsContact C-N 3.27Å; Q40-E42 HydrophobicContact CB-CG 4.5Å; Q40-E42 PolarHBondContact O-N 2.83Å
41G75.7Confident81.8Confident62 Ų6243.7 Ų43.764%0.63924%0.235SC*.THydrogen-bonded Turntrans78.24.9-17900000114.9L37 L38 A39L37-G41 PolarHBondContact O-N 3.1Å; L38-G41 PolarHBondContact O-N 2.75Å; L38-G41 VanDerWaalsContact O-N 3.14Å; A39-G41 VanDerWaalsContact C-N 3.32Å
42E83Confident81.7Confident49 Ų4945 Ų4523%0.22924%0.243CC..SBendtrans-75.6-31.4179.4-74.8-60.7135.400112.9L37 Q40 K72 S76 L79L37-E42 HydrophobicContact CB-CB 4.45Å; L37-E42 HydrophobicContact CD2-CB 4.21Å; L37-E42 PolarHBondContact O-N 2.96Å; Q40-E42 VanDerWaalsContact C-N 3.27Å; Q40-E42 HydrophobicContact CB-CG 4.5Å; Q40-E42 PolarHBondContact O-N 2.83Å; E42-K72 WeakPolarHBondContact O-CD 3.38Å; E42-K72 PolarHBondContact O-NZ 3.44Å; E42-S76 WeakPolarHBondContact OE2-CA 3.41Å; E42-S76 VanDerWaalsContact OE2-CB 3.3Å; E42-S76 WeakPolarHBondContact OE2-CB 3.35Å; E42-S76 PolarHBondContact OE2-OG 3.4Å; E42-L79 VanDerWaalsContact CD-CD1 3.5Å; E42-L79 HydrophobicContact CG-CB 4.26Å; E42-L79 HydrophobicContact CG-CD1 3.29Å; E42-L79 HydrophobicContact CG-CG 4.39Å; E42-L79 WeakPolarHBondContact OE1-CD1 3.23Å
43L83.5Confident81.5Confident7 Ų743.1 Ų43.14%0.03724%0.241CC..SBendtrans-109.7134.9172.3-65.3179.8000109.9M34 L37 L38 D47 L65 L68M34-L43 HydrophobicContact CG-CD1 4.42Å; L37-L43 HydrophobicContact CB-CB 4.43Å; L37-L43 HydrophobicContact CB-CD1 3.67Å; L37-L43 HydrophobicContact CB-CG 3.79Å; L37-L43 HydrophobicContact CD1-CD1 3.9Å; L37-L43 HydrophobicContact CD1-CG 4.39Å; L37-L43 HydrophobicContact CG-CD1 4.46Å; L37-L43 PolarHBondContact O-N 2.93Å; L38-L43 WeakPolarHBondContact CD1-O 3.3Å; L43-D47 HydrophobicContact CB-CB 4.36Å; L43-D47 HydrophobicContact CD2-CB 4.15Å; L43-L65 HydrophobicContact CD1-CD1 3.81Å; L43-L68 HydrophobicContact CD2-CD2 3.52Å; L43-L68 HydrophobicContact CD2-CG 4.26Å
44G81.3Confident80.8Confident34 Ų3449.1 Ų49.135%0.35128%0.28SS..  trans-79.4164.6165.500000111E46 D47 C48G44-E46 VanDerWaalsContact C-N 3.27Å; G44-E46 PolarHBondContact O-N 3.17Å; G44-D47 PolarHBondContact N-OD2 2.98Å; G44-D47 VanDerWaalsContact O-CB 3.29Å; G44-D47 WeakPolarHBondContact O-CB 3.45Å; G44-D47 PolarHBondContact O-N 2.91Å; G44-D47 VanDerWaalsContact O-N 3.17Å; G44-C48 PolarHBondContact O-N 2.95Å
45W77.3Confident80Confident72 Ų7253.2 Ų53.227%0.27332%0.323SS..Hα-helixtrans-63.7-35.2176.3-171.2-108.9000113L38 D47 C48 Q49 D171 R174L38-W45 HydrophobicContact CD1-CE3 3.96Å; L38-W45 HydrophobicContact CD2-CE3 3.78Å; L38-W45 HydrophobicContact CD2-CZ3 3.72Å; W45-D47 VanDerWaalsContact C-N 3.28Å; W45-D47 PolarHBondContact O-N 2.81Å; W45-C48 PolarHBondContact O-N 3.46Å; W45-Q49 VanDerWaalsContact NE1-NE2 3.14Å; W45-Q49 PolarHBondContact O-N 3.05Å; W45-D171 HydrophobicContact CH2-CB 4.33Å; W45-D171 WeakPolarHBondContact CH2-OD1 3.46Å; W45-D171 HydrophobicContact CZ2-CB 4.3Å; W45-R174 VanDerWaalsContact CD1-NH2 3.32Å; W45-R174 VanDerWaalsContact CZ3-NH1 3.34Å; W45-R174 VanDerWaalsContact NE1-NH2 3.14Å
46E78.8Confident80Confident148 Ų14857.8 Ų57.869%0.69234%0.339SS*.Hα-helixtrans-62.2-37.5175.1-63.5-176.8176.400111.5G44 C48 Q49 N50G44-E46 VanDerWaalsContact C-N 3.27Å; G44-E46 PolarHBondContact O-N 3.17Å; E46-C48 VanDerWaalsContact C-N 3.35Å; E46-C48 PolarHBondContact O-N 3.12Å; E46-Q49 PolarHBondContact O-N 3.31Å; E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 PolarHBondContact O-N 3.34Å; E46-N50 PolarHBondContact O-ND2 3.16Å
47D84.6Confident80.1Confident34 Ų3459.6 Ų59.618%0.18236%0.358CS..Hα-helixtrans-61.6-44.4174.6-67.5-36.1000111.2L43 G44 W45 N50 V51 L68 K72L43-D47 HydrophobicContact CB-CB 4.36Å; L43-D47 HydrophobicContact CD2-CB 4.15Å; G44-D47 PolarHBondContact N-OD2 2.98Å; G44-D47 VanDerWaalsContact O-CB 3.29Å; G44-D47 WeakPolarHBondContact O-CB 3.45Å; G44-D47 PolarHBondContact O-N 2.91Å; G44-D47 VanDerWaalsContact O-N 3.17Å; W45-D47 VanDerWaalsContact C-N 3.28Å; W45-D47 PolarHBondContact O-N 2.81Å; D47-N50 PolarHBondContact O-N 3.46Å; D47-V51 VanDerWaalsContact O-CG2 3.32Å; D47-V51 WeakPolarHBondContact O-CG2 3.35Å; D47-V51 PolarHBondContact O-N 3.2Å; D47-L68 HydrophobicContact CB-CD2 3.65Å; D47-K72 WeakPolarHBondContact OD2-CE 3.28Å; D47-K72 IonicContact OD2-NZ 2.81Å; D47-K72 PolarHBondContact OD2-NZ 3.45Å
48C81.2Confident80.1Confident10 Ų1061.3 Ų61.37%0.06837%0.367CS..Hα-helixtrans-65.2-40.9179.6-67.70000112.6M34 G44 W45 E46 N50 V51 L52M34-C48 VanDerWaalsContact CE-CA 3.43Å; M34-C48 HydrophobicContact CE-CB 3.59Å; G44-C48 PolarHBondContact O-N 2.95Å; W45-C48 PolarHBondContact O-N 3.46Å; E46-C48 VanDerWaalsContact C-N 3.35Å; E46-C48 PolarHBondContact O-N 3.12Å; C48-N50 VanDerWaalsContact C-N 3.33Å; C48-V51 PolarHBondContact O-N 2.91Å; C48-L52 PolarHBondContact O-N 3.16Å
49Q79.9Confident80.3Confident116 Ų11665.3 Ų65.354%0.54238%0.382SS..Hα-helixtrans-65.8-36.8175.5-71.8-174.1-25.900112.2W45 E46 V51W45-Q49 VanDerWaalsContact NE1-NE2 3.14Å; W45-Q49 PolarHBondContact O-N 3.05Å; E46-Q49 PolarHBondContact O-N 3.31Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 PolarHBondContact O-N 3.46Å
50N82.1Confident80.5Confident96 Ų9666.6 Ų66.651%0.51339%0.389SS..Hα-helixtrans-68-29.9177.1-74.8-32.9000112.6E46 D47 C48 V53 Q64E46-N50 WeakPolarHBondContact O-CB 3.41Å; E46-N50 PolarHBondContact O-N 3.34Å; E46-N50 PolarHBondContact O-ND2 3.16Å; D47-N50 PolarHBondContact O-N 3.46Å; C48-N50 VanDerWaalsContact C-N 3.33Å; N50-V53 WeakPolarHBondContact O-CG2 3.43Å; N50-Q64 VanDerWaalsContact O-CD 3.26Å; N50-Q64 PolarHBondContact O-NE2 3.17Å; N50-Q64 PolarHBondContact O-OE1 3.35Å; N50-Q64 VanDerWaalsContact O-OE1 3.09Å
51V86Confident80.9Confident2 Ų263.2 Ų63.21%0.01237%0.373CS..Hα-helixtrans-83.1-44177.6171.20000112M34 D47 C48 Q49 V53 N61 Q64 L65 L68M34-V51 HydrophobicContact CE-CB 3.92Å; M34-V51 HydrophobicContact CE-CG1 3.92Å; M34-V51 HydrophobicContact SD-CB 4.35Å; M34-V51 HydrophobicContact SD-CG1 3.67Å; D47-V51 VanDerWaalsContact O-CG2 3.32Å; D47-V51 WeakPolarHBondContact O-CG2 3.35Å; D47-V51 PolarHBondContact O-N 3.2Å; C48-V51 PolarHBondContact O-N 2.91Å; Q49-V51 VanDerWaalsContact C-N 3.29Å; Q49-V51 PolarHBondContact O-N 3.46Å; V51-V53 PolarHBondContact O-N 3.2Å; V51-N61 WeakPolarHBondContact O-CB 3.12Å; V51-N61 PolarHBondContact O-OD1 2.98Å; V51-N61 VanDerWaalsContact O-OD1 3.07Å; V51-Q64 HydrophobicContact CG2-CG 4.36Å; V51-L65 HydrophobicContact CG1-CB 3.99Å; V51-L68 HydrophobicContact CG2-CD2 4.24Å
52L81.4Confident81.6Confident57 Ų5760.3 Ų60.330%0.29834%0.343SS..SBendtrans-94.863.5-175.6-67.2171.2000112.1L30 E31 M34 C48 P54L30-L52 HydrophobicContact CD2-CD2 4.15Å; E31-L52 HydrophobicContact CG-CD1 4.07Å; E31-L52 HydrophobicContact CG-CD2 4.27Å; M34-L52 HydrophobicContact CE-CD1 3.7Å; M34-L52 HydrophobicContact CE-CG 3.8Å; M34-L52 HydrophobicContact SD-CD1 3.88Å; M34-L52 HydrophobicContact SD-CD2 4.12Å; M34-L52 HydrophobicContact SD-CG 3.82Å; C48-L52 PolarHBondContact O-N 3.16Å; L52-P54 WeakPolarHBondContact O-CD 3.25Å
53V80.7Confident81.8Confident47 Ų4764 Ų6429%0.28536%0.355SS..  trans-78.8123.8-179.9-176.70000110.7N50 V51 G55 R56N50-V53 WeakPolarHBondContact O-CG2 3.43Å; V51-V53 PolarHBondContact O-N 3.2Å; V53-G55 PolarHBondContact O-N 3.14Å; V53-R56 HydrophobicContact CB-CB 4.09Å; V53-R56 WeakPolarHBondContact O-CB 3.17Å; V53-R56 PolarHBondContact O-N 3.11Å; V53-R56 VanDerWaalsContact O-N 3.14Å
54P70.2Confident82.1Confident125 Ų12566.3 Ų66.381%0.81237%0.366SS*.THydrogen-bonded Turntrans-56.3132.5177.2-24.934.1000112.2L52 R56L52-P54 WeakPolarHBondContact O-CD 3.25Å; P54-R56 VanDerWaalsContact C-N 3.28Å; P54-R56 PolarHBondContact O-N 3.29Å
55G67.4Low82.5Confident90 Ų9064.7 Ų64.793%0.92835%0.349SS*.THydrogen-bonded Turntrans81.2-4.4-179.600000115.4V53V53-G55 PolarHBondContact O-N 3.14Å
56R80.9Confident83.1Confident107 Ų10761.3 Ų61.340%0.40434%0.336SS..SBendtrans-81.3138.9172.2-173.1175.8-69.2171.84110.3V53 P54 N61V53-R56 HydrophobicContact CB-CB 4.09Å; V53-R56 WeakPolarHBondContact O-CB 3.17Å; V53-R56 PolarHBondContact O-N 3.11Å; V53-R56 VanDerWaalsContact O-N 3.14Å; P54-R56 VanDerWaalsContact C-N 3.28Å; P54-R56 PolarHBondContact O-N 3.29Å; R56-N61 WeakPolarHBondContact CB-OD1 3.46Å; R56-N61 WeakPolarHBondContact CD-OD1 3.13Å; R56-N61 WeakPolarHBondContact CG-OD1 3.35Å
57A82.9Confident83.6Confident61 Ų6157.5 Ų57.550%0.50432%0.32SS..  trans-59.6139.5179.400000111.4Y59 S60 N61A57-Y59 PolarHBondContact O-N 2.91Å; A57-S60 WeakPolarHBondContact O-CA 3.47Å; A57-S60 VanDerWaalsContact O-CB 3.28Å; A57-S60 WeakPolarHBondContact O-CB 3.37Å; A57-S60 PolarHBondContact O-N 3.36Å; A57-N61 PolarHBondContact O-N 2.94Å; A57-N61 VanDerWaalsContact O-N 3.11Å
58L83.3Confident83.9Confident37 Ų3757.5 Ų57.519%0.19432%0.32CS..Hα-helixtrans-54-40.8-177.2178.660.4000112.8C22 S26 A27 L30 S60 N61 A62C22-L58 HydrophobicContact CB-CD2 4.17Å; C22-L58 HydrophobicContact CB-CG 4.48Å; S26-L58 VanDerWaalsContact O-CD2 3.29Å; S26-L58 WeakPolarHBondContact O-CD2 3.37Å; A27-L58 HydrophobicContact CB-CD1 3.77Å; L30-L58 HydrophobicContact CB-CD1 4.39Å; L30-L58 HydrophobicContact CD2-CD1 3.78Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.04Å; L58-N61 PolarHBondContact O-N 3.03Å; L58-A62 PolarHBondContact O-N 3.03Å
59Y85.9Confident84.2Confident103 Ų10357.2 Ų57.240%0.40432%0.318SS..Hα-helixtrans-62.8-34.6177.7-161.8-91.3000112.6L18 A57 R63L18-Y59 HydrophobicContact CB-CD2 4.49Å; L18-Y59 HydrophobicContact CB-CE2 3.71Å; L18-Y59 HydrophobicContact CD1-CE1 4.02Å; L18-Y59 HydrophobicContact CD1-CE2 4.41Å; L18-Y59 WeakPolarHBondContact CD1-OH 3.19Å; L18-Y59 HydrophobicContact CG-CE2 4.46Å; A57-Y59 PolarHBondContact O-N 2.91Å; Y59-R63 VanDerWaalsContact O-CB 3.31Å; Y59-R63 WeakPolarHBondContact O-CB 3.33Å; Y59-R63 PolarHBondContact O-N 3Å
60S86.1Confident84.6Confident59 Ų5955.8 Ų55.841%0.41331%0.308SS..Hα-helixtrans-70.3-40175.1-59.20000111.5A57 L58 R63 Q64A57-S60 WeakPolarHBondContact O-CA 3.47Å; A57-S60 VanDerWaalsContact O-CB 3.28Å; A57-S60 WeakPolarHBondContact O-CB 3.37Å; A57-S60 PolarHBondContact O-N 3.36Å; L58-S60 VanDerWaalsContact C-N 3.27Å; L58-S60 PolarHBondContact O-N 3.04Å; S60-R63 PolarHBondContact O-N 2.89Å; S60-Q64 WeakPolarHBondContact O-CB 3.35Å; S60-Q64 PolarHBondContact O-N 3.34Å
61N87.6Confident84.8Confident12 Ų1256.1 Ų56.16%0.06431%0.314CS..Hα-helixtrans-63.7-47.4174.6-64.2-9000110.9L30 V51 R56 A57 L58 R63 Q64 L65L30-N61 HydrophobicContact CD2-CB 3.75Å; V51-N61 WeakPolarHBondContact O-CB 3.12Å; V51-N61 PolarHBondContact O-OD1 2.98Å; V51-N61 VanDerWaalsContact O-OD1 3.07Å; R56-N61 WeakPolarHBondContact CB-OD1 3.46Å; R56-N61 WeakPolarHBondContact CD-OD1 3.13Å; R56-N61 WeakPolarHBondContact CG-OD1 3.35Å; A57-N61 PolarHBondContact O-N 2.94Å; A57-N61 VanDerWaalsContact O-N 3.11Å; L58-N61 PolarHBondContact O-N 3.03Å; N61-R63 VanDerWaalsContact C-N 3.31Å; N61-R63 PolarHBondContact O-N 3.42Å; N61-Q64 PolarHBondContact O-N 2.82Å; N61-L65 PolarHBondContact O-N 3.48Å
62A88.8Confident84.8Confident0 Ų060.1 Ų60.10%033%0.331CS..Hα-helixtrans-61.9-37.7177.400000112.3L18 L30 L58 L65 L66L18-A62 HydrophobicContact CD2-CB 3.66Å; L30-A62 HydrophobicContact CD1-CB 4.03Å; L30-A62 HydrophobicContact CD2-CB 4.32Å; L58-A62 PolarHBondContact O-N 3.03Å; A62-L65 PolarHBondContact O-N 3.19Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 2.96Å; A62-L66 VanDerWaalsContact O-N 3.17Å
63R88.8Confident84.9Confident126 Ų12658.2 Ų58.248%0.47533%0.326SS..Hα-helixtrans-64.3-41.3175.8-174.7176.3-98.1169.3-4.8111.9R14 L18 Y59 S60 N61 L66 D67R14-R63 PolarHBondContact NH2-O 3.31Å; R14-R63 VanDerWaalsContact NH2-O 3.09Å; L18-R63 HydrophobicContact CD2-CB 4.17Å; Y59-R63 VanDerWaalsContact O-CB 3.31Å; Y59-R63 WeakPolarHBondContact O-CB 3.33Å; Y59-R63 PolarHBondContact O-N 3Å; S60-R63 PolarHBondContact O-N 2.89Å; N61-R63 VanDerWaalsContact C-N 3.31Å; N61-R63 PolarHBondContact O-N 3.42Å; R63-L66 WeakPolarHBondContact O-CB 3.34Å; R63-L66 PolarHBondContact O-N 2.77Å; R63-D67 PolarHBondContact O-N 3.4Å
64Q89.6Confident84.8Confident57 Ų5757.4 Ų57.427%0.26632%0.324SS..Hα-helixtrans-68.9-37.3179.4-166.6-177.6-1.200112.3N50 V51 S60 N61 L66 D67 L68N50-Q64 VanDerWaalsContact O-CD 3.26Å; N50-Q64 PolarHBondContact O-NE2 3.17Å; N50-Q64 PolarHBondContact O-OE1 3.35Å; N50-Q64 VanDerWaalsContact O-OE1 3.09Å; V51-Q64 HydrophobicContact CG2-CG 4.36Å; S60-Q64 WeakPolarHBondContact O-CB 3.35Å; S60-Q64 PolarHBondContact O-N 3.34Å; N61-Q64 PolarHBondContact O-N 2.82Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.07Å; Q64-D67 PolarHBondContact O-N 3.42Å; Q64-L68 WeakPolarHBondContact O-CB 3.24Å; Q64-L68 PolarHBondContact O-N 3.39Å
65L90Very high85.2Confident0 Ų057.1 Ų57.10%032%0.316CS..Hα-helixtrans-58.9-45171.2-178.862.1000111.1L30 V33 M34 L43 V51 N61 A62 L68 V69 F80L30-L65 HydrophobicContact CD1-CB 4.24Å; L30-L65 HydrophobicContact CD1-CD2 3.39Å; L30-L65 HydrophobicContact CD1-CG 4.45Å; V33-L65 HydrophobicContact CG1-CD2 4.36Å; M34-L65 HydrophobicContact CG-CD1 3.98Å; M34-L65 HydrophobicContact CG-CD2 3.74Å; M34-L65 HydrophobicContact CG-CG 4.5Å; M34-L65 HydrophobicContact SD-CD2 4.39Å; L43-L65 HydrophobicContact CD1-CD1 3.81Å; V51-L65 HydrophobicContact CG1-CB 3.99Å; N61-L65 PolarHBondContact O-N 3.48Å; A62-L65 PolarHBondContact O-N 3.19Å; L65-L68 PolarHBondContact O-N 3.34Å; L65-V69 HydrophobicContact CD1-CG2 4.17Å; L65-V69 HydrophobicContact CG-CG2 4.42Å; L65-V69 WeakPolarHBondContact O-CB 3.44Å; L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 3.38Å; L65-F80 HydrophobicContact CD2-CE2 3.96Å; L65-F80 HydrophobicContact CG-CE2 4.27Å
66L89.8Confident85.9Confident0 Ų053.3 Ų53.30%028%0.275CS..Hα-helixtrans-64.4-39.9178.4-69.1168.9000112.6L10 R14 I17 L18 A62 R63 Q64 Y70 F80L10-L66 HydrophobicContact CD1-CD2 3.68Å; L10-L66 HydrophobicContact CD2-CD2 4.44Å; L10-L66 HydrophobicContact CG-CD2 4.21Å; R14-L66 HydrophobicContact CG-CD1 3.99Å; I17-L66 HydrophobicContact CG2-CD2 4.01Å; L18-L66 HydrophobicContact CD1-CD1 4.21Å; L18-L66 HydrophobicContact CD2-CD1 3.53Å; L18-L66 HydrophobicContact CG-CD1 3.5Å; L18-L66 VanDerWaalsContact CG-CD1 3.5Å; A62-L66 WeakPolarHBondContact O-CG 3.36Å; A62-L66 PolarHBondContact O-N 2.96Å; A62-L66 VanDerWaalsContact O-N 3.17Å; R63-L66 WeakPolarHBondContact O-CB 3.34Å; R63-L66 PolarHBondContact O-N 2.77Å; Q64-L66 VanDerWaalsContact C-N 3.32Å; Q64-L66 PolarHBondContact O-N 3.07Å; L66-Y70 VanDerWaalsContact O-CB 3.25Å; L66-Y70 WeakPolarHBondContact O-CB 3.46Å; L66-Y70 PolarHBondContact O-N 2.99Å; L66-F80 HydrophobicContact CD2-CE1 3.59Å; L66-F80 HydrophobicContact CD2-CE2 4.14Å; L66-F80 HydrophobicContact CD2-CZ 3.34Å; L66-F80 HydrophobicContact CG-CZ 4.42Å
67D88.7Confident86Confident68 Ų6848.2 Ų48.236%0.36426%0.256SS..Hα-helixtrans-64.2-43.4174.7-72.6-37.3000111.3R14 R63 Q64 Y70 T71R14-D67 IonicContact CZ-OD1 3.34Å; R14-D67 IonicContact NH1-OD1 2.78Å; R14-D67 PolarHBondContact NH1-OD1 3.09Å; R14-D67 IonicContact NH2-OD1 2.67Å; R14-D67 PolarHBondContact NH2-OD1 2.84Å; R14-D67 IonicContact NH2-OD2 3.84Å; R14-D67 PolarHBondContact NH2-OD2 3.19Å; R63-D67 PolarHBondContact O-N 3.4Å; Q64-D67 PolarHBondContact O-N 3.42Å; D67-Y70 WeakPolarHBondContact O-CB 3.35Å; D67-Y70 PolarHBondContact O-N 3.12Å; D67-T71 WeakPolarHBondContact O-CG2 3.4Å; D67-T71 PolarHBondContact O-N 3.47Å; D67-T71 PolarHBondContact O-OG1 3.21Å
68L89.6Confident85.9Confident35 Ų3549.9 Ų49.918%0.18325%0.253CS..Hα-helixtrans-62.2-50.9179-177.667.6000111.4L43 D47 V51 Q64 L65 Y70 T71 K72L43-L68 HydrophobicContact CD2-CD2 3.52Å; L43-L68 HydrophobicContact CD2-CG 4.26Å; D47-L68 HydrophobicContact CB-CD2 3.65Å; V51-L68 HydrophobicContact CG2-CD2 4.24Å; Q64-L68 WeakPolarHBondContact O-CB 3.24Å; Q64-L68 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.34Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 3.45Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-N 2.85Å; L68-T71 VanDerWaalsContact O-N 3.13Å; L68-T71 PolarHBondContact O-OG1 2.96Å; L68-K72 PolarHBondContact O-N 3.34Å; L68-K72 VanDerWaalsContact O-N 3.1Å
69V88.7Confident85.9Confident3 Ų350 Ų502%0.01825%0.253CS..Hα-helixtrans-59.7-41.3177.5171.30000110.9L37 L65 T71 K72 S76 C77 F80L37-V69 HydrophobicContact CD1-CG2 4.29Å; L65-V69 HydrophobicContact CD1-CG2 4.17Å; L65-V69 HydrophobicContact CG-CG2 4.42Å; L65-V69 WeakPolarHBondContact O-CB 3.44Å; L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.44Å; L65-V69 PolarHBondContact O-N 3.38Å; V69-T71 PolarHBondContact O-N 3.46Å; V69-K72 PolarHBondContact O-N 3.12Å; V69-S76 WeakPolarHBondContact CG1-O 3.39Å; V69-C77 HydrophobicContact CG1-CB 4.43Å; V69-F80 HydrophobicContact CG1-CB 3.62Å; V69-F80 HydrophobicContact CG1-CD2 4.45Å; V69-F80 HydrophobicContact CG1-CG 3.98Å; V69-F80 HydrophobicContact CG2-CB 4.28Å; V69-F80 HydrophobicContact CG2-CD2 3.95Å; V69-F80 HydrophobicContact CG2-CG 4.3Å
70Y88.1Confident85.9Confident86 Ų8645 Ų4534%0.33723%0.234SC..Hα-helixtrans-59.8-44.2175.3-178.5-93.8000112.1Q7 L10 L11 L66 D67 L68 K72Q7-Y70 HydrophobicContact CB-CD2 4.14Å; Q7-Y70 HydrophobicContact CB-CE2 3.86Å; Q7-Y70 HydrophobicContact CG-CD2 4.21Å; Q7-Y70 HydrophobicContact CG-CE2 4.28Å; Q7-Y70 PolarHBondContact NE2-O 3.22Å; L10-Y70 HydrophobicContact CD2-CD2 4.41Å; L11-Y70 HydrophobicContact CD1-CD2 4.46Å; L11-Y70 HydrophobicContact CD1-CE2 3.53Å; L11-Y70 HydrophobicContact CD2-CD2 4.34Å; L11-Y70 HydrophobicContact CD2-CE2 4.11Å; L11-Y70 HydrophobicContact CG-CD2 4.13Å; L11-Y70 HydrophobicContact CG-CE2 3.66Å; L66-Y70 VanDerWaalsContact O-CB 3.25Å; L66-Y70 WeakPolarHBondContact O-CB 3.46Å; L66-Y70 PolarHBondContact O-N 2.99Å; D67-Y70 WeakPolarHBondContact O-CB 3.35Å; D67-Y70 PolarHBondContact O-N 3.12Å; L68-Y70 VanDerWaalsContact C-N 3.29Å; L68-Y70 PolarHBondContact O-N 3.45Å; Y70-K72 VanDerWaalsContact C-N 3.32Å; Y70-K72 PolarHBondContact O-N 3.25Å
71T86.6Confident85.8Confident104 Ų10443.2 Ų43.264%0.63822%0.219SC*.Hα-helixtrans-68.6-26.5-179.655.60000114D67 L68 V69D67-T71 WeakPolarHBondContact O-CG2 3.4Å; D67-T71 PolarHBondContact O-N 3.47Å; D67-T71 PolarHBondContact O-OG1 3.21Å; L68-T71 WeakPolarHBondContact CA-OG1 3.25Å; L68-T71 PolarHBondContact O-N 2.85Å; L68-T71 VanDerWaalsContact O-N 3.13Å; L68-T71 PolarHBondContact O-OG1 2.96Å; V69-T71 PolarHBondContact O-N 3.46Å
72K85.1Confident85.5Confident85 Ų8545.1 Ų45.137%0.3723%0.233SC..Hα-helixtrans-77.2-22.4-179.1-72.3-162177.8-161.50114.2E42 D47 L68 V69 Y70 S76E42-K72 WeakPolarHBondContact O-CD 3.38Å; E42-K72 PolarHBondContact O-NZ 3.44Å; D47-K72 WeakPolarHBondContact OD2-CE 3.28Å; D47-K72 IonicContact OD2-NZ 2.81Å; D47-K72 PolarHBondContact OD2-NZ 3.45Å; L68-K72 PolarHBondContact O-N 3.34Å; L68-K72 VanDerWaalsContact O-N 3.1Å; V69-K72 PolarHBondContact O-N 3.12Å; Y70-K72 VanDerWaalsContact C-N 3.32Å; Y70-K72 PolarHBondContact O-N 3.25Å; K72-S76 VanDerWaalsContact CB-OG 3.26Å; K72-S76 WeakPolarHBondContact CB-OG 3.44Å
73G83.1Confident85.2Confident18 Ų1845.1 Ų45.119%0.18623%0.233CC..  trans131-173.6171.500000114.2Q7 C77Q7-G73 VanDerWaalsContact NE2-CA 3.34Å; G73-C77 PolarHBondContact O-N 3.49Å; G73-C77 PolarHBondContact O-SG 3.01Å
74A79.1Confident84.9Confident29 Ų2939.1 Ų39.124%0.2421%0.21CC..Hα-helixtrans-68.2-38.917900000112.3C77 E78A74-C77 WeakPolarHBondContact O-CB 3.34Å; A74-C77 PolarHBondContact O-N 2.95Å; A74-E78 PolarHBondContact O-N 3.42Å; A74-E78 VanDerWaalsContact O-N 3.07Å
75D78.7Confident84.4Confident120 Ų12041.6 Ų41.664%0.64222%0.22SC*.Hα-helixtrans-65.8-43.9-177.5-56.8-22.3000111.7C77 E78 L79D75-C77 VanDerWaalsContact C-N 3.27Å; D75-C77 PolarHBondContact O-N 3.49Å; D75-E78 PolarHBondContact O-N 3.34Å; D75-E78 VanDerWaalsContact O-N 3.12Å; D75-L79 PolarHBondContact O-N 2.96Å; D75-L79 VanDerWaalsContact O-N 3.1Å
76S82.9Confident83.9Confident10 Ų1047.7 Ų47.77%0.0725%0.249CC..Hα-helixtrans-62.8-34.3173.9-49.70000112.3E42 V69 K72 F80E42-S76 WeakPolarHBondContact OE2-CA 3.41Å; E42-S76 VanDerWaalsContact OE2-CB 3.3Å; E42-S76 WeakPolarHBondContact OE2-CB 3.35Å; E42-S76 PolarHBondContact OE2-OG 3.4Å; V69-S76 WeakPolarHBondContact CG1-O 3.39Å; K72-S76 VanDerWaalsContact CB-OG 3.26Å; K72-S76 WeakPolarHBondContact CB-OG 3.44Å; S76-F80 VanDerWaalsContact O-CB 3.28Å; S76-F80 WeakPolarHBondContact O-CB 3.4Å; S76-F80 PolarHBondContact O-N 2.83Å
77C82.8Confident83.4Confident0 Ų048.1 Ų48.10%025%0.251CS..Hα-helixtrans-65.2-40.2174-66.90000111.7P6 Q7 V69 G73 A74 D75 F80 F81P6-C77 HydrophobicContact CB-CB 3.67Å; Q7-C77 VanDerWaalsContact CG-SG 3.55Å; V69-C77 HydrophobicContact CG1-CB 4.43Å; G73-C77 PolarHBondContact O-N 3.49Å; G73-C77 PolarHBondContact O-SG 3.01Å; A74-C77 WeakPolarHBondContact O-CB 3.34Å; A74-C77 PolarHBondContact O-N 2.95Å; D75-C77 VanDerWaalsContact C-N 3.27Å; D75-C77 PolarHBondContact O-N 3.49Å; C77-F80 PolarHBondContact O-N 3.24Å; C77-F81 HydrophobicContact CB-CE2 4.5Å; C77-F81 WeakPolarHBondContact O-CD2 3.22Å; C77-F81 WeakPolarHBondContact O-CG 3.41Å; C77-F81 PolarHBondContact O-N 3.29Å
78E81.6Confident83Confident95 Ų9545.4 Ų45.444%0.44424%0.237SC..Hα-helixtrans-64.7-45177.4-67.8-164.4165.400112.2P6 A74 D75 F80 F81 S82P6-E78 HydrophobicContact CB-CG 3.84Å; P6-E78 HydrophobicContact CG-CG 3.37Å; P6-E78 WeakPolarHBondContact CG-OE1 3.43Å; A74-E78 PolarHBondContact O-N 3.42Å; A74-E78 VanDerWaalsContact O-N 3.07Å; D75-E78 PolarHBondContact O-N 3.34Å; D75-E78 VanDerWaalsContact O-N 3.12Å; E78-F80 VanDerWaalsContact C-N 3.34Å; E78-F80 PolarHBondContact O-N 3.16Å; E78-F81 PolarHBondContact O-N 2.93Å; E78-S82 PolarHBondContact O-N 2.89Å
79L81.4Confident81.7Confident39 Ų3947.3 Ų47.320%0.20425%0.251CS..Hα-helixtrans-65.3-38.7177.5-69.7171.1000111.7L37 E42 D75 F81 S82 A83L37-L79 HydrophobicContact CD2-CB 4.06Å; E42-L79 VanDerWaalsContact CD-CD1 3.5Å; E42-L79 HydrophobicContact CG-CB 4.26Å; E42-L79 HydrophobicContact CG-CD1 3.29Å; E42-L79 HydrophobicContact CG-CG 4.39Å; E42-L79 WeakPolarHBondContact OE1-CD1 3.23Å; D75-L79 PolarHBondContact O-N 2.96Å; D75-L79 VanDerWaalsContact O-N 3.1Å; L79-F81 PolarHBondContact O-N 3.49Å; L79-S82 PolarHBondContact O-N 3.25Å; L79-A83 WeakPolarHBondContact O-CB 3.07Å; L79-A83 PolarHBondContact O-N 2.94Å
80F87.6Confident80.2Confident0 Ų055.2 Ų55.20%029%0.288CS..Hα-helixtrans-60-44.8172171.9-92.3000111.9L10 I17 L21 V33 L37 L65 L66 V69 S76 C77 E78 S82 A83 V84L10-F80 HydrophobicContact CD1-CD1 3.71Å; L10-F80 HydrophobicContact CD1-CE1 3.6Å; I17-F80 HydrophobicContact CG2-CE1 4Å; I17-F80 HydrophobicContact CG2-CZ 3.87Å; L21-F80 HydrophobicContact CD1-CZ 4.16Å; V33-F80 HydrophobicContact CG1-CD2 3.82Å; V33-F80 HydrophobicContact CG1-CE2 3.77Å; L37-F80 HydrophobicContact CD1-CB 4.34Å; L37-F80 HydrophobicContact CD1-CD2 3.94Å; L37-F80 HydrophobicContact CD2-CB 4.4Å; L65-F80 HydrophobicContact CD2-CE2 3.96Å; L65-F80 HydrophobicContact CG-CE2 4.27Å; L66-F80 HydrophobicContact CD2-CE1 3.59Å; L66-F80 HydrophobicContact CD2-CE2 4.14Å; L66-F80 HydrophobicContact CD2-CZ 3.34Å; L66-F80 HydrophobicContact CG-CZ 4.42Å; V69-F80 HydrophobicContact CG1-CB 3.62Å; V69-F80 HydrophobicContact CG1-CD2 4.45Å; V69-F80 HydrophobicContact CG1-CG 3.98Å; V69-F80 HydrophobicContact CG2-CB 4.28Å; V69-F80 HydrophobicContact CG2-CD2 3.95Å; V69-F80 HydrophobicContact CG2-CG 4.3Å; S76-F80 VanDerWaalsContact O-CB 3.28Å; S76-F80 WeakPolarHBondContact O-CB 3.4Å; S76-F80 PolarHBondContact O-N 2.83Å; C77-F80 PolarHBondContact O-N 3.24Å; E78-F80 VanDerWaalsContact C-N 3.34Å; E78-F80 PolarHBondContact O-N 3.16Å; F80-S82 PolarHBondContact O-N 3.2Å; F80-A83 PolarHBondContact O-N 3.15Å; F80-V84 HydrophobicContact CD1-CG2 4.12Å; F80-V84 HydrophobicContact CD2-CG2 4.35Å; F80-V84 HydrophobicContact CE1-CG2 3.64Å; F80-V84 HydrophobicContact CE2-CG2 3.9Å; F80-V84 HydrophobicContact CG-CG2 4.44Å; F80-V84 HydrophobicContact CZ-CG2 3.51Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.42Å; F80-V84 PolarHBondContact O-N 2.99Å
81F82.8Confident78.5Confident20 Ų2055.4 Ų55.49%0.08831%0.307CS..Hα-helixtrans-65.3-38.9177.7-75.9-55.6000112.9P6 L9 L10 I17 C77 E78 L79 A83 V84 K85 F97P6-F81 WeakPolarHBondContact O-CE2 3.48Å; L9-F81 HydrophobicContact CB-CE2 4.36Å; L9-F81 HydrophobicContact CB-CZ 4.25Å; L9-F81 HydrophobicContact CD2-CE2 4.17Å; L9-F81 HydrophobicContact CD2-CZ 4.1Å; L9-F81 HydrophobicContact CG-CE2 4.45Å; L9-F81 HydrophobicContact CG-CZ 4.07Å; L10-F81 HydrophobicContact CB-CE2 4.25Å; L10-F81 HydrophobicContact CB-CZ 3.88Å; L10-F81 HydrophobicContact CD1-CE1 3.96Å; L10-F81 HydrophobicContact CD1-CE2 4.19Å; L10-F81 HydrophobicContact CD1-CZ 3.63Å; L10-F81 HydrophobicContact CG-CZ 4.4Å; I17-F81 HydrophobicContact CD1-CE1 3.68Å; I17-F81 HydrophobicContact CD1-CZ 4.35Å; C77-F81 HydrophobicContact CB-CE2 4.5Å; C77-F81 WeakPolarHBondContact O-CD2 3.22Å; C77-F81 WeakPolarHBondContact O-CG 3.41Å; C77-F81 PolarHBondContact O-N 3.29Å; E78-F81 PolarHBondContact O-N 2.93Å; L79-F81 PolarHBondContact O-N 3.49Å; F81-A83 VanDerWaalsContact C-N 3.34Å; F81-V84 PolarHBondContact O-N 3.38Å; F81-K85 WeakPolarHBondContact O-CB 3.31Å; F81-K85 PolarHBondContact O-N 3.39Å; F81-F97 HydrophobicContact CB-CE1 3.91Å; F81-F97 HydrophobicContact CB-CZ 4.41Å; F81-F97 AromaticContact CD1-CE1 3.49Å; F81-F97 HydrophobicContact CD1-CE1 3.49Å; F81-F97 VanDerWaalsContact CD1-CE1 3.49Å; F81-F97 HydrophobicContact CD1-CZ 4.06Å; F81-F97 HydrophobicContact CE1-CE1 4.24Å; F81-F97 AromaticContact CG-CE1 3.98Å; F81-F97 HydrophobicContact CG-CE1 3.98Å
82S81.3Confident77.1Confident53 Ų5354.4 Ų54.437%0.37130%0.297SS..Hα-helixtrans-60.3-44.3173-1740000111.5E78 L79 F80 K85 Q86E78-S82 PolarHBondContact O-N 2.89Å; L79-S82 PolarHBondContact O-N 3.25Å; F80-S82 PolarHBondContact O-N 3.2Å; S82-K85 PolarHBondContact O-N 3.37Å; S82-Q86 WeakPolarHBondContact O-CG 3.47Å; S82-Q86 PolarHBondContact O-N 2.97Å
83A83.4Confident75.7Confident0 Ų050.4 Ų50.40%028%0.281CS..Hα-helixtrans-64.5-45.4177.200000112.6V33 M36 L79 F80 F81 K85 Q86 V87V33-A83 HydrophobicContact CG1-CB 4.04Å; M36-A83 HydrophobicContact CB-CB 3.91Å; M36-A83 HydrophobicContact CE-CB 3.97Å; M36-A83 HydrophobicContact SD-CB 3.83Å; L79-A83 WeakPolarHBondContact O-CB 3.07Å; L79-A83 PolarHBondContact O-N 2.94Å; F80-A83 PolarHBondContact O-N 3.15Å; F81-A83 VanDerWaalsContact C-N 3.34Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.4Å; A83-Q86 PolarHBondContact O-N 3.1Å; A83-V87 WeakPolarHBondContact O-CB 3.29Å; A83-V87 VanDerWaalsContact O-CG2 3.29Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.2Å; A83-V87 VanDerWaalsContact O-N 3.09Å
84V82.3Confident74.5Confident0 Ų054.4 Ų54.40%030%0.298CS..Hα-helixtrans-60.1-40.2176.8170.40000111.5L21 V33 F80 F81 Q86 V87 L88 F97L21-V84 HydrophobicContact CD2-CG2 4.47Å; V33-V84 HydrophobicContact CG1-CG2 4.13Å; V33-V84 HydrophobicContact CG2-CG2 3.98Å; F80-V84 HydrophobicContact CD1-CG2 4.12Å; F80-V84 HydrophobicContact CD2-CG2 4.35Å; F80-V84 HydrophobicContact CE1-CG2 3.64Å; F80-V84 HydrophobicContact CE2-CG2 3.9Å; F80-V84 HydrophobicContact CG-CG2 4.44Å; F80-V84 HydrophobicContact CZ-CG2 3.51Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.42Å; F80-V84 PolarHBondContact O-N 2.99Å; F81-V84 PolarHBondContact O-N 3.38Å; V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å; V84-V87 PolarHBondContact O-N 3.08Å; V84-L88 HydrophobicContact CG1-CD1 3.47Å; V84-L88 VanDerWaalsContact CG1-CD1 3.47Å; V84-L88 HydrophobicContact CG1-CG 4.21Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 WeakPolarHBondContact O-CG 3.34Å; V84-L88 PolarHBondContact O-N 3.35Å; V84-F97 HydrophobicContact CG1-CZ 4.34Å
85K79.6Confident73.4Confident109 Ų10956.3 Ų56.347%0.47431%0.314SS..Hα-helixtrans-64.5-35.8177.9-170.1175.5-179177.60112.7F81 S82 A83 F97F81-K85 WeakPolarHBondContact O-CB 3.31Å; F81-K85 PolarHBondContact O-N 3.39Å; S82-K85 PolarHBondContact O-N 3.37Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.4Å; K85-F97 HydrophobicContact CB-CD2 4.35Å; K85-F97 HydrophobicContact CB-CE2 3.72Å; K85-F97 HydrophobicContact CB-CZ 4.21Å; K85-F97 HydrophobicContact CD-CD2 4.21Å; K85-F97 HydrophobicContact CD-CE2 4.42Å; K85-F97 HydrophobicContact CG-CD2 4.2Å; K85-F97 HydrophobicContact CG-CE2 4.02Å
86Q78Confident72.6Confident127 Ų12751.3 Ų51.359%0.59329%0.287SS*.Hα-helixtrans-77.8-24.4178.5-68.4-179.437.200113.2M36 S82 A83 V84M36-Q86 HydrophobicContact CE-CB 3.96Å; M36-Q86 VanDerWaalsContact CE-CD 3.41Å; M36-Q86 HydrophobicContact CE-CG 4.2Å; M36-Q86 HydrophobicContact SD-CB 4.3Å; S82-Q86 WeakPolarHBondContact O-CG 3.47Å; S82-Q86 PolarHBondContact O-N 2.97Å; A83-Q86 PolarHBondContact O-N 3.1Å; V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å
87V80.9Confident71.6Confident10 Ų1052.9 Ų52.96%0.06129%0.293CS..Hα-helixtrans-92.3-30.9-175.1171.30000112.8H29 R32 V33 M36 A83 V84H29-V87 HydrophobicContact CB-CG1 4.13Å; R32-V87 HydrophobicContact CB-CG1 3.88Å; R32-V87 HydrophobicContact CB-CG2 3.76Å; V33-V87 HydrophobicContact CG2-CB 3.94Å; V33-V87 HydrophobicContact CG2-CG1 4.1Å; V33-V87 HydrophobicContact CG2-CG2 3.91Å; M36-V87 HydrophobicContact SD-CG2 3.77Å; A83-V87 WeakPolarHBondContact O-CB 3.29Å; A83-V87 VanDerWaalsContact O-CG2 3.29Å; A83-V87 WeakPolarHBondContact O-CG2 3.46Å; A83-V87 PolarHBondContact O-N 3.2Å; A83-V87 VanDerWaalsContact O-N 3.09Å; V84-V87 PolarHBondContact O-N 3.08Å
88L78.7Confident69.9Low11 Ų1160.4 Ų60.46%0.05833%0.332CS..SBendtrans-88.5151.4-179.4-67.1174.7000112.6A20 V84 L96A20-L88 HydrophobicContact CB-CD1 3.67Å; A20-L88 HydrophobicContact CB-CD2 4.12Å; V84-L88 HydrophobicContact CG1-CD1 3.47Å; V84-L88 VanDerWaalsContact CG1-CD1 3.47Å; V84-L88 HydrophobicContact CG1-CG 4.21Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 WeakPolarHBondContact O-CG 3.34Å; V84-L88 PolarHBondContact O-N 3.35Å; L88-L96 HydrophobicContact CD1-CD1 3.82Å
89P63.5Low68.1Low74 Ų7462.1 Ų62.148%0.48136%0.355SS..  trans-59.2143.5175.3-20.330.9000112.7A91 L92 G93P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 2.81Å; P89-A91 VanDerWaalsContact O-N 3.08Å; P89-L92 HydrophobicContact CG-CD1 4.44Å; P89-L92 PolarHBondContact O-N 3.22Å; P89-G93 PolarHBondContact O-N 3.25Å
90E57Low66.2Low170 Ų17063.4 Ų63.479%0.79438%0.377SS*.Hα-helixtrans-48.5-42-174.8-73.1179.4160.100113.9L92 G93 D94E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.06Å; E90-G93 PolarHBondContact O-N 3.24Å; E90-D94 PolarHBondContact O-N 3.31Å
91A52.2Low63.6Low90 Ų9068.9 Ų68.974%0.74441%0.414SS*.Hα-helixtrans-65.5-28.8179.500000114.6P89P89-A91 VanDerWaalsContact C-N 3.27Å; P89-A91 PolarHBondContact O-N 2.81Å; P89-A91 VanDerWaalsContact O-N 3.08Å
92L56.3Low61.2Low82 Ų8277.3 Ų77.343%0.42945%0.453SS..Hα-helixtrans-92.1-34.1176.8-90.7141.6000111.5P89 E90 L96P89-L92 HydrophobicContact CG-CD1 4.44Å; P89-L92 PolarHBondContact O-N 3.22Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.06Å; L92-L96 WeakPolarHBondContact O-CD1 3.14Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å
93G57.6Low58.7Low2 Ų279 Ų792%0.02147%0.465CS..Hα-helixtrans-61.8-55.4174.700000111.3P89 E90 A95 L96 F97P89-G93 PolarHBondContact O-N 3.25Å; E90-G93 PolarHBondContact O-N 3.24Å; G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.4Å; G93-L96 PolarHBondContact O-N 3.35Å; G93-F97 WeakPolarHBondContact O-CD2 3.22Å
94D56.9Low56.1Low102 Ų10285.4 Ų85.455%0.54550%0.504SS..Hα-helixtrans-67.8-23.7-175.9-73.1-22.2000113.5E90 L96 F97E90-D94 PolarHBondContact O-N 3.31Å; D94-L96 VanDerWaalsContact C-N 3.3Å; D94-L96 PolarHBondContact O-N 3.19Å; D94-F97 VanDerWaalsContact O-O 3.13Å
95A56.6Low53.7Low69 Ų6991.8 Ų91.857%0.5754%0.538SS*.Hα-helixtrans-69.8-25.1173.300000113.4G93G93-A95 VanDerWaalsContact C-N 3.26Å; G93-A95 PolarHBondContact O-N 3.4Å
96L60.9Low51.2Low15 Ų1593.7 Ų93.78%0.07955%0.553CS.*Hα-helixtrans-86.7-16.5-179.5-68.4168000113E16 A20 L88 L92 G93 D94E16-L96 HydrophobicContact CB-CD2 3.56Å; A20-L96 HydrophobicContact CB-CD1 4.2Å; L88-L96 HydrophobicContact CD1-CD1 3.82Å; L92-L96 WeakPolarHBondContact O-CD1 3.14Å; L92-L96 WeakPolarHBondContact O-CG 3.39Å; G93-L96 PolarHBondContact O-N 3.35Å; D94-L96 VanDerWaalsContact C-N 3.3Å; D94-L96 PolarHBondContact O-N 3.19Å
97F61.5Low49Very low43 Ų4398.8 Ų98.819%0.18957%0.568CS.*  trans-122.1132.1-171.2-58.4-66.6000113.1F81 V84 K85 G93 D94F81-F97 HydrophobicContact CB-CE1 3.91Å; F81-F97 HydrophobicContact CB-CZ 4.41Å; F81-F97 AromaticContact CD1-CE1 3.49Å; F81-F97 HydrophobicContact CD1-CE1 3.49Å; F81-F97 VanDerWaalsContact CD1-CE1 3.49Å; F81-F97 HydrophobicContact CD1-CZ 4.06Å; F81-F97 HydrophobicContact CE1-CE1 4.24Å; F81-F97 AromaticContact CG-CE1 3.98Å; F81-F97 HydrophobicContact CG-CE1 3.98Å; V84-F97 HydrophobicContact CG1-CZ 4.34Å; K85-F97 HydrophobicContact CB-CD2 4.35Å; K85-F97 HydrophobicContact CB-CE2 3.72Å; K85-F97 HydrophobicContact CB-CZ 4.21Å; K85-F97 HydrophobicContact CD-CD2 4.21Å; K85-F97 HydrophobicContact CD-CE2 4.42Å; K85-F97 HydrophobicContact CG-CD2 4.2Å; K85-F97 HydrophobicContact CG-CE2 4.02Å; G93-F97 WeakPolarHBondContact O-CD2 3.22Å; D94-F97 VanDerWaalsContact O-O 3.13Å
98L48.8Very low46.5Very low157 Ų157104.6 Ų104.682%0.82260%0.604SS**  trans-84.1131.3165.7-76.4165.4000108.6G100L98-G100 PolarHBondContact O-N 3.23Å
99S43.9Very low44.7Very low132 Ų132112.9 Ų112.992%0.92364%0.643SS**SBendtrans-53118.9-176.664.90000112.2
100G41.1Very low43.4Very low65 Ų65118.1 Ų118.167%0.6766%0.658SS**  trans14276.9167.900000113.5L98L98-G100 PolarHBondContact O-N 3.23Å
101C32.2Very low42.7Very low116 Ų116115.4 Ų115.478%0.78466%0.655SS**  trans-16698.6147.2-960000107.1
102H31.8Very low42.5Very low196 Ų196120.8 Ų120.891%0.90766%0.664SS**  trans-98.4110.3164.4-76.1-72.9000107
103S28.8Very low42.7Very low88 Ų88123.6 Ų123.662%0.61567%0.67SS**  trans-12399161.144.40000107.5L105S103-L105 PolarHBondContact O-N 3.41Å
104T30Very low43.4Very low135 Ų135126.4 Ų126.483%0.82869%0.686SS**  trans-68.6112.4158.741.30000107
105L31.6Very low44.3Very low135 Ų135122.5 Ų122.571%0.70767%0.667SS**  trans-94.3111.4172.9-82.6162.2000108.9S103S103-L105 PolarHBondContact O-N 3.41Å
106D27Very low45.2Very low148 Ų148120.5 Ų120.579%0.79165%0.647SS**  trans-59.4130169.2-81.2-39.6000110.6T108D106-T108 PolarHBondContact O-N 3.33Å; D106-T108 VanDerWaalsContact O-N 3.17Å
107Y30.7Very low45.9Very low234 Ų234124.4 Ų124.492%0.91867%0.666SS**  trans-67.9109.9167.5-73.4-84.7000109
108T30Very low46.7Very low132 Ų132125.7 Ų125.781%0.8167%0.672SS**  trans-82.6125.7166.739.20000109.2D106D106-T108 PolarHBondContact O-N 3.33Å; D106-T108 VanDerWaalsContact O-N 3.17Å
109E39.4Very low48.2Very low186 Ų186118.5 Ų118.587%0.86963%0.634SS**  trans-63.4139.6176.9-72-177.114700112.9
110K36.3Very low49.9Very low184 Ų184114.7 Ų114.780%0.860%0.603SS**  trans156.8167.5144.6-88.7162.3-173.3-178.40111.6
111P42.1Very low51.6Low112 Ų112113.3 Ų113.373%0.72758%0.584SS**  cis-105.9-168-49.428.9-8.9000110R113P111-R113 PolarHBondContact O-N 3.46Å
112Q49.3Very low53.9Low203 Ų203110.9 Ų110.995%0.94956%0.561SS**  trans-47.7111.2179.2-81.3-178.9-27.400112.1
113R60.7Low56.2Low142 Ų142102 Ų10254%0.53652%0.519SS..  trans-83.6144.2178.9-67.7-177.2-179.6172.21.4110.1P111 E117 S121P111-R113 PolarHBondContact O-N 3.46Å; R113-E117 HydrophobicContact CB-CB 4.18Å; R113-S121 PolarHBondContact NH1-OG 2.86Å
114T72.7Confident58.6Low60 Ų6099.5 Ų99.537%0.36850%0.501SS..  trans-68.2155.6165.356.50000110.2T116 E117 E118 E178T114-T116 PolarHBondContact O-N 3.09Å; T114-T116 PolarHBondContact OG1-OG1 3.41Å; T114-E117 PolarHBondContact N-OE2 3.23Å; T114-E117 PolarHBondContact O-N 3.26Å; T114-E117 VanDerWaalsContact O-N 3.08Å; T114-E117 WeakPolarHBondContact OG1-CB 3.42Å; T114-E117 WeakPolarHBondContact OG1-CG 3.33Å; T114-E117 PolarHBondContact OG1-N 3.15Å; T114-E117 PolarHBondContact OG1-OE2 2.69Å; T114-E118 PolarHBondContact O-N 2.87Å; T114-E178 VanDerWaalsContact CB-OE1 3.29Å; T114-E178 WeakPolarHBondContact CB-OE1 3.44Å
115S75.4Confident60.8Low20 Ų2097.5 Ų97.514%0.1449%0.485CS..Hα-helixtrans-61.5-29.6179.519.50000112.3E118 L119 E178S115-E118 PolarHBondContact O-N 3.3Å; S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 3.27Å; S115-E178 WeakPolarHBondContact CA-OE2 3.31Å; S115-E178 WeakPolarHBondContact CB-OE2 3.45Å; S115-E178 PolarHBondContact N-OE2 3.22Å; S115-E178 PolarHBondContact OG-O 3.19Å; S115-E178 PolarHBondContact OG-OE2 3.34Å
116T75.7Confident63.2Low27 Ų2791.2 Ų91.217%0.16645%0.452CS..Hα-helixtrans-69.9-37.3172.559.60000113.2T114 L120 R174 E178 S181T114-T116 PolarHBondContact O-N 3.09Å; T114-T116 PolarHBondContact OG1-OG1 3.41Å; T116-L120 PolarHBondContact O-N 2.85Å; T116-R174 HydrophobicContact CG2-CG 4.4Å; T116-E178 WeakPolarHBondContact CB-OE1 3.47Å; T116-E178 HydrophobicContact CG2-CG 4.41Å; T116-E178 WeakPolarHBondContact CG2-OE1 3.37Å; T116-E178 PolarHBondContact N-OE2 2.62Å; T116-E178 VanDerWaalsContact N-OE2 3.1Å; T116-E178 PolarHBondContact OG1-OE1 3.23Å; T116-S181 VanDerWaalsContact CG2-OG 3.26Å; T116-S181 WeakPolarHBondContact CG2-OG 3.16Å
117E74.9Confident65.8Low98 Ų9884.3 Ų84.346%0.45842%0.415SS..Hα-helixtrans-69.4-34.5173.5-73.9166.4158.400111.8R113 T114 L120 S121R113-E117 HydrophobicContact CB-CB 4.18Å; T114-E117 PolarHBondContact N-OE2 3.23Å; T114-E117 PolarHBondContact O-N 3.26Å; T114-E117 VanDerWaalsContact O-N 3.08Å; T114-E117 WeakPolarHBondContact OG1-CB 3.42Å; T114-E117 WeakPolarHBondContact OG1-CG 3.33Å; T114-E117 PolarHBondContact OG1-N 3.15Å; T114-E117 PolarHBondContact OG1-OE2 2.69Å; E117-L120 PolarHBondContact O-N 3.26Å; E117-S121 WeakPolarHBondContact O-CB 3.36Å; E117-S121 PolarHBondContact O-N 3.14Å; E117-S121 PolarHBondContact O-OG 3.17Å
118E78.1Confident68Low69 Ų6976.9 Ų76.932%0.32239%0.391SS..Hα-helixtrans-65.4-45.1174.5-171.8157.4-161.600111.5T114 S115 L120 S121 Q122 L185T114-E118 PolarHBondContact O-N 2.87Å; S115-E118 PolarHBondContact O-N 3.3Å; E118-L120 PolarHBondContact O-N 2.8Å; E118-S121 PolarHBondContact O-N 3.28Å; E118-S121 PolarHBondContact O-OG 2.77Å; E118-Q122 PolarHBondContact O-N 2.95Å; E118-Q122 PolarHBondContact OE1-NE2 2.97Å; E118-L185 HydrophobicContact CB-CD1 4.23Å; E118-L185 HydrophobicContact CG-CD1 4.29Å
119L80.6Confident70.3Confident6 Ų675.3 Ų75.33%0.03137%0.373CS..Hα-helixtrans-55.7-38.2172.4-75.7-174.5000113S115 R123 L126 L170 V173 S181 L185S115-L119 WeakPolarHBondContact O-CG 3.46Å; S115-L119 PolarHBondContact O-N 3.27Å; L119-R123 VanDerWaalsContact O-CA 3.27Å; L119-R123 WeakPolarHBondContact O-CA 3.22Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.35Å; L119-R123 PolarHBondContact O-N 3.21Å; L119-R123 VanDerWaalsContact O-N 3.1Å; L119-L126 HydrophobicContact CD2-CD1 3.54Å; L119-L170 HydrophobicContact CD2-CD2 3.91Å; L119-V173 HydrophobicContact CD1-CG1 3.79Å; L119-S181 VanDerWaalsContact CD1-CB 3.46Å; L119-S181 WeakPolarHBondContact CD1-OG 3.19Å; L119-L185 HydrophobicContact CD2-CD1 4.3Å; L119-L185 HydrophobicContact CD2-CD2 3.78Å; L119-L185 HydrophobicContact CD2-CG 3.81Å; L119-L185 HydrophobicContact CG-CD1 4.39Å; L119-L185 HydrophobicContact CG-CG 4.41Å
120L78.9Confident72.3Confident52 Ų5266.4 Ų66.427%0.27233%0.332SS..Hα-helixtrans-71.7-46178.4-78.1172.3000111.9L38 A39 T116 E117 E118 Q122 R123L38-L120 HydrophobicContact CD2-CD2 3.91Å; A39-L120 WeakPolarHBondContact CB-O 3.36Å; T116-L120 PolarHBondContact O-N 2.85Å; E117-L120 PolarHBondContact O-N 3.26Å; E118-L120 PolarHBondContact O-N 2.8Å; L120-Q122 VanDerWaalsContact C-N 3.34Å; L120-Q122 PolarHBondContact O-N 2.72Å; L120-R123 WeakPolarHBondContact O-CB 3.45Å; L120-R123 PolarHBondContact O-N 2.48Å
121S76.6Confident74.3Confident37 Ų3761.1 Ų61.126%0.25931%0.31SS..Hα-helixtrans-68.1-32.3-178.268.70000113.4R113 E117 E118R113-S121 PolarHBondContact NH1-OG 2.86Å; E117-S121 WeakPolarHBondContact O-CB 3.36Å; E117-S121 PolarHBondContact O-N 3.14Å; E117-S121 PolarHBondContact O-OG 3.17Å; E118-S121 PolarHBondContact O-N 3.28Å; E118-S121 PolarHBondContact O-OG 2.77Å
122Q80.4Confident75.5Confident64 Ų6459 Ų5930%0.29931%0.308SS..THydrogen-bonded Turntrans-102.211.8179.1-61.7-178.220.100112.7E118 L120 P124 D125 L126E118-Q122 PolarHBondContact O-N 2.95Å; E118-Q122 PolarHBondContact OE1-NE2 2.97Å; L120-Q122 VanDerWaalsContact C-N 3.34Å; L120-Q122 PolarHBondContact O-N 2.72Å; Q122-P124 VanDerWaalsContact C-CD 3.47Å; Q122-D125 PolarHBondContact O-N 3.19Å; Q122-D125 VanDerWaalsContact O-N 3.09Å; Q122-L126 HydrophobicContact CB-CD1 3.95Å; Q122-L126 HydrophobicContact CB-CG 4.11Å; Q122-L126 WeakPolarHBondContact O-CG 3.33Å; Q122-L126 PolarHBondContact O-N 3.32Å
123R82.1Confident77Confident9 Ų951.1 Ų51.13%0.03428%0.275CS..Hα-helixtrans-51.5-45.8-173.6-174179.1176.392.2-2.3113.6D35 L119 L120 D125 L126 V127 L170 D171D35-R123 IonicContact OD1-CZ 3.5Å; D35-R123 IonicContact OD1-NE 3.7Å; D35-R123 PolarHBondContact OD1-NE 2.82Å; D35-R123 IonicContact OD1-NH2 2.76Å; L119-R123 VanDerWaalsContact O-CA 3.27Å; L119-R123 WeakPolarHBondContact O-CA 3.22Å; L119-R123 VanDerWaalsContact O-CB 3.3Å; L119-R123 WeakPolarHBondContact O-CB 3.35Å; L119-R123 PolarHBondContact O-N 3.21Å; L119-R123 VanDerWaalsContact O-N 3.1Å; L120-R123 WeakPolarHBondContact O-CB 3.45Å; L120-R123 PolarHBondContact O-N 2.48Å; R123-D125 VanDerWaalsContact C-N 3.34Å; R123-D125 PolarHBondContact O-N 3.17Å; R123-L126 PolarHBondContact O-N 3.01Å; R123-V127 HydrophobicContact CG-CG2 4.37Å; R123-V127 VanDerWaalsContact O-CG2 3.28Å; R123-V127 WeakPolarHBondContact O-CG2 3.42Å; R123-V127 PolarHBondContact O-N 3.42Å; R123-L170 HydrophobicContact CG-CD1 4.31Å; R123-D171 IonicContact CZ-OD1 3.89Å; R123-D171 IonicContact NH1-OD1 3.7Å; R123-D171 PolarHBondContact NH1-OD1 3.07Å; R123-D171 IonicContact NH2-OD1 2.75Å; R123-D171 PolarHBondContact NH2-OD1 3.44Å; R123-D171 IonicContact NH2-OD2 2.77Å
124P78Confident78.1Confident37 Ų3744.8 Ų44.824%0.2425%0.252CS..Hα-helixtrans-59.9-43.1179.4-23.935.6000112.9D35 M36 A39 Q122 L128D35-P124 HydrophobicContact CB-CG 4.48Å; M36-P124 HydrophobicContact CG-CG 4.32Å; A39-P124 HydrophobicContact CB-CG 4.22Å; Q122-P124 VanDerWaalsContact C-CD 3.47Å; P124-L128 WeakPolarHBondContact O-CG 3.28Å; P124-L128 PolarHBondContact O-N 2.85Å
125D76.9Confident78.4Confident93 Ų9346.5 Ų46.550%0.49726%0.259SS..Hα-helixtrans-72.4-37.9-179.6-68.2-25.8000111.9Q122 R123 L128 K129Q122-D125 PolarHBondContact O-N 3.19Å; Q122-D125 VanDerWaalsContact O-N 3.09Å; R123-D125 VanDerWaalsContact C-N 3.34Å; R123-D125 PolarHBondContact O-N 3.17Å; D125-L128 PolarHBondContact O-N 3.26Å; D125-K129 WeakPolarHBondContact O-CG 3.35Å; D125-K129 PolarHBondContact O-N 3.43Å
126L81.6Confident78.7Confident2 Ų246.4 Ų46.41%0.0126%0.262CS..Hα-helixtrans-67.5-38.7178-71.6170.7000112.2L119 Q122 R123 L128 K129 L130 L170 L185 V188L119-L126 HydrophobicContact CD2-CD1 3.54Å; Q122-L126 HydrophobicContact CB-CD1 3.95Å; Q122-L126 HydrophobicContact CB-CG 4.11Å; Q122-L126 WeakPolarHBondContact O-CG 3.33Å; Q122-L126 PolarHBondContact O-N 3.32Å; R123-L126 PolarHBondContact O-N 3.01Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 PolarHBondContact O-N 3.23Å; L126-K129 PolarHBondContact O-N 3.02Å; L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.6Å; L126-L170 HydrophobicContact CB-CD1 4.02Å; L126-L185 HydrophobicContact CD1-CD2 4.1Å; L126-L185 HydrophobicContact CD2-CD2 4.21Å; L126-V188 HydrophobicContact CD2-CG1 4.14Å; L126-V188 HydrophobicContact CD2-CG2 4.31Å
127V81.4Confident79Confident3 Ų345.2 Ų45.22%0.01825%0.254CS..Hα-helixtrans-60.2-41.4173.4170.90000110.6R123 Q131 A166 R167 L170R123-V127 HydrophobicContact CG-CG2 4.37Å; R123-V127 VanDerWaalsContact O-CG2 3.28Å; R123-V127 WeakPolarHBondContact O-CG2 3.42Å; R123-V127 PolarHBondContact O-N 3.42Å; V127-Q131 PolarHBondContact O-N 2.99Å; V127-A166 HydrophobicContact CG1-CB 4.3Å; V127-R167 HydrophobicContact CG1-CG 4.12Å; V127-R167 HydrophobicContact CG2-CG 3.72Å; V127-L170 HydrophobicContact CG2-CD1 3.63Å
128L76.6Confident79.5Confident79 Ų7940.8 Ų40.841%0.41423%0.233SC..Hα-helixtrans-67.7-37.2177.4-72172.5000113.1P124 D125 L126 Q131P124-L128 WeakPolarHBondContact O-CG 3.28Å; P124-L128 PolarHBondContact O-N 2.85Å; D125-L128 PolarHBondContact O-N 3.26Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 PolarHBondContact O-N 3.23Å; L128-Q131 VanDerWaalsContact O-CG 3.3Å; L128-Q131 WeakPolarHBondContact O-CG 3.19Å; L128-Q131 PolarHBondContact O-NE2 2.91Å
129K79.4Confident79.8Confident98 Ų9844.4 Ų44.443%0.42624%0.244SC..Hα-helixtrans-72.7-41.7177.3-71.3173.6-176.7177.30111.9D125 L126 C133 V188D125-K129 WeakPolarHBondContact O-CG 3.35Å; D125-K129 PolarHBondContact O-N 3.43Å; L126-K129 PolarHBondContact O-N 3.02Å; K129-C133 PolarHBondContact O-SG 3.31Å; K129-V188 HydrophobicContact CB-CG1 4.38Å; K129-V188 HydrophobicContact CD-CG1 3.89Å
130L80Confident79.9Confident0 Ų045.4 Ų45.40%025%0.253CS..Hα-helixtrans-77-25.4-174-74.1167.3000113.9L126 G132 C133 I134 A137 A166 L169 L170 V184 F187 V188L126-L130 VanDerWaalsContact O-CB 3.25Å; L126-L130 WeakPolarHBondContact O-CB 3.44Å; L126-L130 VanDerWaalsContact O-CG 3.32Å; L126-L130 WeakPolarHBondContact O-CG 3.32Å; L126-L130 PolarHBondContact O-N 2.6Å; L130-G132 PolarHBondContact O-N 2.92Å; L130-C133 PolarHBondContact O-N 2.88Å; L130-I134 WeakPolarHBondContact O-CG1 3.46Å; L130-I134 PolarHBondContact O-N 2.96Å; L130-A137 HydrophobicContact CD2-CB 3.91Å; L130-A166 HydrophobicContact CB-CB 3.91Å; L130-L169 HydrophobicContact CD1-CD2 4.31Å; L130-L169 HydrophobicContact CD2-CD2 4.37Å; L130-L170 HydrophobicContact CD1-CD1 4.32Å; L130-L170 HydrophobicContact CD1-CD2 3.61Å; L130-L170 HydrophobicContact CD1-CG 3.96Å; L130-V184 HydrophobicContact CD1-CG1 4.05Å; L130-V184 HydrophobicContact CD2-CG1 4.28Å; L130-F187 HydrophobicContact CD2-CD1 4.46Å; L130-V188 HydrophobicContact CD2-CG2 3.66Å; L130-V188 HydrophobicContact CG-CG2 4.07Å
131Q78.3Confident80.2Confident72 Ų7243 Ų4334%0.33624%0.241SC..THydrogen-bonded Turntrans-57.3-20.1-177.273.5-168-22.800114.4V127 L128 P162 S163V127-Q131 PolarHBondContact O-N 2.99Å; L128-Q131 VanDerWaalsContact O-CG 3.3Å; L128-Q131 WeakPolarHBondContact O-CG 3.19Å; L128-Q131 PolarHBondContact O-NE2 2.91Å; Q131-P162 HydrophobicContact CB-CB 4.13Å; Q131-P162 WeakPolarHBondContact O-CB 3.41Å; Q131-S163 PolarHBondContact OE1-OG 3.42Å
132G69Low80.7Confident68 Ų6844.4 Ų44.470%0.70125%0.247SC*.THydrogen-bonded Turntrans-98.3-9.9178.400000115.4L130L130-G132 PolarHBondContact O-N 2.92Å
133C80.4Confident80.9Confident38 Ų3848.5 Ų48.526%0.25727%0.267SS..THydrogen-bonded Turntrans-138.525.8-170.659.40000113.5K129 L130 D135 G136 A137 F187K129-C133 PolarHBondContact O-SG 3.31Å; L130-C133 PolarHBondContact O-N 2.88Å; C133-D135 VanDerWaalsContact C-N 3.32Å; C133-D135 PolarHBondContact O-N 2.98Å; C133-G136 WeakPolarHBondContact O-CA 3.47Å; C133-G136 PolarHBondContact O-N 3.5Å; C133-A137 PolarHBondContact O-N 3.33Å; C133-F187 HydrophobicContact CB-CE1 4.17Å; C133-F187 HydrophobicContact CB-CZ 4.23Å
134I82.5Confident80.9Confident9 Ų950.6 Ų50.65%0.04628%0.283CS..Hα-helixtrans-54.4-44.8-177-54.9-176.8000112L130 G136 A137 L138 I155 P162 Q165 A166L130-I134 WeakPolarHBondContact O-CG1 3.46Å; L130-I134 PolarHBondContact O-N 2.96Å; I134-G136 VanDerWaalsContact C-N 3.29Å; I134-G136 PolarHBondContact O-N 3.41Å; I134-A137 PolarHBondContact O-N 3.46Å; I134-L138 HydrophobicContact CG2-CD1 3.91Å; I134-L138 HydrophobicContact CG2-CG 4.27Å; I134-L138 WeakPolarHBondContact O-CB 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.07Å; I134-L138 PolarHBondContact O-N 3.34Å; I134-I155 HydrophobicContact CG2-CG2 4.46Å; I134-P162 HydrophobicContact CD1-CB 4.35Å; I134-P162 WeakPolarHBondContact CD1-O 3.26Å; I134-Q165 HydrophobicContact CD1-CB 3.44Å; I134-Q165 VanDerWaalsContact CD1-CB 3.44Å; I134-Q165 HydrophobicContact CD1-CG 4.49Å; I134-A166 HydrophobicContact CD1-CB 4.49Å
135D80.3Confident81.1Confident95 Ų9551.8 Ų51.851%0.50830%0.302SS..Hα-helixtrans-66.1-33.2-179.9-63.4-27.8000112.4C133 R139 Q156C133-D135 VanDerWaalsContact C-N 3.32Å; C133-D135 PolarHBondContact O-N 2.98Å; D135-R139 VanDerWaalsContact O-CB 3.32Å; D135-R139 WeakPolarHBondContact O-CB 3.01Å; D135-R139 PolarHBondContact O-N 2.95Å; D135-Q156 PolarHBondContact OD1-NE2 3.42Å
136G81.1Confident81.6Confident19 Ų1950 Ų5020%0.19629%0.29CS..Hα-helixtrans-68.7-44.8173.900000111.6C133 I134 R139 A140 F187C133-G136 WeakPolarHBondContact O-CA 3.47Å; C133-G136 PolarHBondContact O-N 3.5Å; I134-G136 VanDerWaalsContact C-N 3.29Å; I134-G136 PolarHBondContact O-N 3.41Å; G136-R139 PolarHBondContact O-N 3.09Å; G136-A140 PolarHBondContact O-N 2.87Å; G136-F187 VanDerWaalsContact C-CE2 3.44Å
137A82.8Confident82Confident1 Ų150.4 Ų50.41%0.00829%0.292CS..Hα-helixtrans-64.5-42.2177.300000112L130 C133 I134 A140 L141 L169 F187L130-A137 HydrophobicContact CD2-CB 3.91Å; C133-A137 PolarHBondContact O-N 3.33Å; I134-A137 PolarHBondContact O-N 3.46Å; A137-A140 PolarHBondContact O-N 3.37Å; A137-L141 WeakPolarHBondContact O-CB 3.26Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.02Å; A137-L169 HydrophobicContact CB-CD2 3.82Å; A137-F187 HydrophobicContact CB-CD1 3.72Å; A137-F187 HydrophobicContact CB-CE1 3.63Å; A137-F187 HydrophobicContact CB-CG 4.48Å; A137-F187 HydrophobicContact CB-CZ 4.34Å; A137-F187 VanDerWaalsContact N-CZ 3.29Å
138L85.5Confident82.1Confident5 Ų552.5 Ų52.53%0.02631%0.307CS..Hα-helixtrans-63.2-42.2175.3-74.3173.7000111.5I134 L141 V142 F147 I155 Q156 L169I134-L138 HydrophobicContact CG2-CD1 3.91Å; I134-L138 HydrophobicContact CG2-CG 4.27Å; I134-L138 WeakPolarHBondContact O-CB 3.24Å; I134-L138 WeakPolarHBondContact O-CG 3.07Å; I134-L138 PolarHBondContact O-N 3.34Å; L138-L141 PolarHBondContact O-N 3.28Å; L138-V142 WeakPolarHBondContact O-CG2 3.26Å; L138-V142 PolarHBondContact O-N 3.17Å; L138-F147 HydrophobicContact CD2-CD2 3.74Å; L138-F147 HydrophobicContact CD2-CE2 3.74Å; L138-I155 HydrophobicContact CD1-CG2 4.46Å; L138-I155 HydrophobicContact CD2-CD1 3.87Å; L138-Q156 HydrophobicContact CD1-CG 3.68Å; L138-L169 HydrophobicContact CD2-CD1 3.59Å; L138-L169 HydrophobicContact CG-CD1 4.26Å
139R83Confident81.9Confident146 Ų14652.9 Ų52.955%0.55132%0.316SS*.Hα-helixtrans-62.9-46.2176.6-167.9-177.5-56.3122.37.4111.6D135 G136 L141 V142 E143D135-R139 VanDerWaalsContact O-CB 3.32Å; D135-R139 WeakPolarHBondContact O-CB 3.01Å; D135-R139 PolarHBondContact O-N 2.95Å; G136-R139 PolarHBondContact O-N 3.09Å; R139-L141 PolarHBondContact O-N 3.22Å; R139-V142 PolarHBondContact O-N 2.86Å; R139-V142 VanDerWaalsContact O-N 3.15Å; R139-E143 HydrophobicContact CG-CG 4.36Å; R139-E143 WeakPolarHBondContact CG-OE1 3.34Å; R139-E143 WeakPolarHBondContact O-CB 3.28Å; R139-E143 WeakPolarHBondContact O-CG 3.47Å; R139-E143 PolarHBondContact O-N 3.26Å
140A83.5Confident81.9Confident27 Ų2753.2 Ų53.222%0.22333%0.326CS..Hα-helixtrans-58.7-37.4175.800000112G136 A137 S144 F187G136-A140 PolarHBondContact O-N 2.87Å; A137-A140 PolarHBondContact O-N 3.37Å; A140-S144 WeakPolarHBondContact O-CB 3.38Å; A140-S144 PolarHBondContact O-N 3.44Å; A140-S144 PolarHBondContact O-OG 3.42Å; A140-F187 HydrophobicContact CB-CB 4.45Å; A140-F187 HydrophobicContact CB-CD2 3.91Å; A140-F187 HydrophobicContact CB-CG 4.37Å
141L85.5Confident82Confident1 Ų154.4 Ų54.41%0.00533%0.333CS..Hα-helixtrans-72.5-32.1176.5-75.8166.5000114.1A137 L138 R139 S144 G145 H146 F147 L169 V173 A180 A183 V184A137-L141 WeakPolarHBondContact O-CB 3.26Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.02Å; L138-L141 PolarHBondContact O-N 3.28Å; R139-L141 PolarHBondContact O-N 3.22Å; L141-S144 VanDerWaalsContact CA-OG 3.32Å; L141-S144 WeakPolarHBondContact CA-OG 3.22Å; L141-S144 PolarHBondContact O-OG 3.11Å; L141-G145 PolarHBondContact O-N 3.25Å; L141-H146 HydrophobicContact CD2-CB 4.08Å; L141-H146 PolarHBondContact O-N 3.46Å; L141-F147 HydrophobicContact CB-CB 4.02Å; L141-F147 HydrophobicContact CB-CD1 4.01Å; L141-F147 HydrophobicContact CB-CD2 4.24Å; L141-F147 HydrophobicContact CB-CG 3.84Å; L141-F147 HydrophobicContact CD1-CD1 4.18Å; L141-F147 HydrophobicContact CD1-CD2 4.16Å; L141-F147 HydrophobicContact CD1-CE1 3.99Å; L141-F147 HydrophobicContact CD1-CE2 3.9Å; L141-F147 HydrophobicContact CD1-CG 4.31Å; L141-F147 HydrophobicContact CD1-CZ 3.86Å; L141-F147 HydrophobicContact CD2-CD1 4.35Å; L141-F147 HydrophobicContact CD2-CE1 4.42Å; L141-F147 HydrophobicContact CG-CD1 4.44Å; L141-F147 PolarHBondContact O-N 2.94Å; L141-F147 VanDerWaalsContact O-N 3.08Å; L141-L169 HydrophobicContact CD1-CD1 3.66Å; L141-V173 HydrophobicContact CD1-CG2 3.67Å; L141-V173 HydrophobicContact CD2-CG2 4.41Å; L141-A180 HydrophobicContact CD2-CB 4.35Å; L141-A183 HydrophobicContact CD2-CB 4.16Å; L141-V184 HydrophobicContact CD1-CG2 3.66Å; L141-V184 HydrophobicContact CD2-CG2 3.8Å; L141-V184 HydrophobicContact CG-CG2 3.93Å
142V86.8Confident82.2Confident66 Ų6651.6 Ų51.640%0.432%0.321SS..Hα-helixtrans-73.8-43.8173.6171.90000110.5L138 R139 S144 G145 F147 C152L138-V142 WeakPolarHBondContact O-CG2 3.26Å; L138-V142 PolarHBondContact O-N 3.17Å; R139-V142 PolarHBondContact O-N 2.86Å; R139-V142 VanDerWaalsContact O-N 3.15Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 2.96Å; V142-G145 WeakPolarHBondContact O-CA 3.02Å; V142-G145 PolarHBondContact O-N 3.5Å; V142-F147 HydrophobicContact CG2-CB 3.95Å; V142-C152 VanDerWaalsContact CG2-SG 3.56Å
143E83.9Confident82.7Confident151 Ų15152.5 Ų52.571%0.70631%0.31SS*.Hα-helixtrans-64.6-35.5178.3-73.5174.2-177.400112.3R139 G145R139-E143 HydrophobicContact CG-CG 4.36Å; R139-E143 WeakPolarHBondContact CG-OE1 3.34Å; R139-E143 WeakPolarHBondContact O-CB 3.28Å; R139-E143 WeakPolarHBondContact O-CG 3.47Å; R139-E143 PolarHBondContact O-N 3.26Å; E143-G145 PolarHBondContact O-N 2.89Å
144S81.6Confident82.4Confident53 Ų5352.2 Ų52.237%0.37131%0.313SS..THydrogen-bonded Turntrans-77.6-1.3171.854.10000113.9A140 L141 V142 H146A140-S144 WeakPolarHBondContact O-CB 3.38Å; A140-S144 PolarHBondContact O-N 3.44Å; A140-S144 PolarHBondContact O-OG 3.42Å; L141-S144 VanDerWaalsContact CA-OG 3.32Å; L141-S144 WeakPolarHBondContact CA-OG 3.22Å; L141-S144 PolarHBondContact O-OG 3.11Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 2.96Å; S144-H146 VanDerWaalsContact C-N 3.32Å; S144-H146 PolarHBondContact O-N 3.42Å; S144-H146 PolarHBondContact OG-CD2 2.94Å
145G83.7Confident82.4Confident62 Ų6252 Ų5264%0.63931%0.312SS*.THydrogen-bonded Turntrans75.314.7175.900000114.9L141 V142 E143L141-G145 PolarHBondContact O-N 3.25Å; V142-G145 WeakPolarHBondContact O-CA 3.02Å; V142-G145 PolarHBondContact O-N 3.5Å; E143-G145 PolarHBondContact O-N 2.89Å
146H86.2Confident82.3Confident54 Ų5451 Ų5125%0.2531%0.305CS..SBendtrans-87-27.8-179.6-64-43.4000113L141 S144 A180L141-H146 HydrophobicContact CD2-CB 4.08Å; L141-H146 PolarHBondContact O-N 3.46Å; S144-H146 VanDerWaalsContact C-N 3.32Å; S144-H146 PolarHBondContact O-N 3.42Å; S144-H146 PolarHBondContact OG-CD2 2.94Å; H146-A180 HydrophobicContact CB-CB 4.06Å
147F89.7Confident81.8Confident12 Ų1253.4 Ų53.45%0.05331%0.312CS..  trans-118.6145.9-177.5-86.235.9000112.3L138 L141 V142 D151 I155 L169 L172 V173 K176L138-F147 HydrophobicContact CD2-CD2 3.74Å; L138-F147 HydrophobicContact CD2-CE2 3.74Å; L141-F147 HydrophobicContact CB-CB 4.02Å; L141-F147 HydrophobicContact CB-CD1 4.01Å; L141-F147 HydrophobicContact CB-CD2 4.24Å; L141-F147 HydrophobicContact CB-CG 3.84Å; L141-F147 HydrophobicContact CD1-CD1 4.18Å; L141-F147 HydrophobicContact CD1-CD2 4.16Å; L141-F147 HydrophobicContact CD1-CE1 3.99Å; L141-F147 HydrophobicContact CD1-CE2 3.9Å; L141-F147 HydrophobicContact CD1-CG 4.31Å; L141-F147 HydrophobicContact CD1-CZ 3.86Å; L141-F147 HydrophobicContact CD2-CD1 4.35Å; L141-F147 HydrophobicContact CD2-CE1 4.42Å; L141-F147 HydrophobicContact CG-CD1 4.44Å; L141-F147 PolarHBondContact O-N 2.94Å; L141-F147 VanDerWaalsContact O-N 3.08Å; V142-F147 HydrophobicContact CG2-CB 3.95Å; F147-D151 HydrophobicContact CB-CB 4.26Å; F147-D151 HydrophobicContact CD2-CB 3.88Å; F147-D151 HydrophobicContact CE2-CB 4.42Å; F147-D151 HydrophobicContact CG-CB 4.06Å; F147-I155 HydrophobicContact CD2-CD1 4.4Å; F147-I155 HydrophobicContact CE2-CD1 3.47Å; F147-I155 VanDerWaalsContact CE2-CD1 3.47Å; F147-I155 HydrophobicContact CZ-CD1 4.19Å; F147-L169 HydrophobicContact CE2-CD1 3.77Å; F147-L169 HydrophobicContact CZ-CD1 4.11Å; F147-L172 HydrophobicContact CE1-CD2 4.44Å; F147-L172 HydrophobicContact CE1-CG 4.35Å; F147-L172 HydrophobicContact CE2-CD2 3.83Å; F147-L172 HydrophobicContact CE2-CG 4.45Å; F147-L172 HydrophobicContact CZ-CB 3.99Å; F147-L172 HydrophobicContact CZ-CD2 3.73Å; F147-L172 HydrophobicContact CZ-CG 3.85Å; F147-V173 HydrophobicContact CE1-CG2 3.99Å; F147-V173 HydrophobicContact CZ-CG2 3.72Å; F147-K176 HydrophobicContact CE1-CG 4.15Å
148S84.6Confident80.3Confident47 Ų4759.5 Ų59.533%0.32935%0.352SS..  trans-100.4165.1170.164.10000111.5T150 D151 C152S148-T150 PolarHBondContact O-N 3.29Å; S148-T150 PolarHBondContact OG-OG1 3.45Å; S148-D151 WeakPolarHBondContact CB-OD2 3.47Å; S148-D151 PolarHBondContact N-OD2 3.15Å; S148-D151 WeakPolarHBondContact O-CB 3.33Å; S148-D151 PolarHBondContact O-N 3.2Å; S148-D151 PolarHBondContact OG-N 3.01Å; S148-D151 PolarHBondContact OG-OD2 2.9Å; S148-C152 PolarHBondContact O-N 3.42Å
149S72.9Confident79.2Confident87 Ų8765.3 Ų65.361%0.60838%0.382SS*.Hα-helixtrans-53.4-37.7173.8-169.50000112.3D151 C152 D153S149-D151 VanDerWaalsContact C-N 3.34Å; S149-D151 PolarHBondContact O-N 3.41Å; S149-C152 WeakPolarHBondContact O-CB 3.35Å; S149-C152 PolarHBondContact O-N 2.84Å; S149-D153 PolarHBondContact O-N 3.43Å
150T78.6Confident78.6Confident104 Ų10460.3 Ų60.364%0.63836%0.363SS*.Hα-helixtrans-68.6-31.317846.20000113.3S148 G154S148-T150 PolarHBondContact O-N 3.29Å; S148-T150 PolarHBondContact OG-OG1 3.45Å; T150-G154 PolarHBondContact O-N 3.02Å
151D82.3Confident78.1Confident26 Ų2661.2 Ų61.214%0.13937%0.366CS..Hα-helixtrans-68-39.3174.1-65.1-56000110.2F147 S148 S149 I155 L172 K176F147-D151 HydrophobicContact CB-CB 4.26Å; F147-D151 HydrophobicContact CD2-CB 3.88Å; F147-D151 HydrophobicContact CE2-CB 4.42Å; F147-D151 HydrophobicContact CG-CB 4.06Å; S148-D151 WeakPolarHBondContact CB-OD2 3.47Å; S148-D151 PolarHBondContact N-OD2 3.15Å; S148-D151 WeakPolarHBondContact O-CB 3.33Å; S148-D151 PolarHBondContact O-N 3.2Å; S148-D151 PolarHBondContact OG-N 3.01Å; S148-D151 PolarHBondContact OG-OD2 2.9Å; S149-D151 VanDerWaalsContact C-N 3.34Å; S149-D151 PolarHBondContact O-N 3.41Å; D151-I155 PolarHBondContact O-N 2.93Å; D151-L172 HydrophobicContact CB-CD2 3.73Å; D151-K176 VanDerWaalsContact CG-NZ 3.32Å; D151-K176 IonicContact OD1-NZ 3.33Å; D151-K176 PolarHBondContact OD1-NZ 3.06Å; D151-K176 IonicContact OD2-NZ 3.38Å; D151-K176 PolarHBondContact OD2-NZ 3.21Å
152C82.8Confident77.5Confident13 Ų1364.4 Ų64.49%0.08839%0.386CS..Hα-helixtrans-65.7-47.5175.9-61.20000112.1V142 S148 S149 G154 I155 Q156V142-C152 VanDerWaalsContact CG2-SG 3.56Å; S148-C152 PolarHBondContact O-N 3.42Å; S149-C152 WeakPolarHBondContact O-CB 3.35Å; S149-C152 PolarHBondContact O-N 2.84Å; C152-G154 VanDerWaalsContact C-N 3.27Å; C152-G154 PolarHBondContact O-N 3.44Å; C152-I155 PolarHBondContact O-N 3.5Å; C152-I155 VanDerWaalsContact O-N 3.09Å; C152-Q156 WeakPolarHBondContact O-CB 3.39Å; C152-Q156 PolarHBondContact O-N 2.99Å
153D78.3Confident77Confident86 Ų8661.8 Ų61.846%0.4637%0.371SS..Hα-helixtrans-59.8-38-179.5-66.2-29.5000112S149 I155 Q156 L157S149-D153 PolarHBondContact O-N 3.43Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 2.78Å; D153-Q156 PolarHBondContact O-N 2.88Å; D153-L157 WeakPolarHBondContact O-CD2 3.36Å; D153-L157 WeakPolarHBondContact O-CG 3.22Å; D153-L157 PolarHBondContact O-N 2.96Å
154G75.6Confident76.7Confident32 Ų3255.9 Ų55.933%0.3334%0.343SS..Hα-helixtrans-68.7-26.5177.700000114.4T150 C152T150-G154 PolarHBondContact O-N 3.02Å; C152-G154 VanDerWaalsContact C-N 3.27Å; C152-G154 PolarHBondContact O-N 3.44Å
155I82.1Confident76.6Confident4 Ų454.9 Ų54.92%0.02133%0.333CS..Hα-helixtrans-85.9-38.2175.8-68.7163.6000110.5I134 L138 F147 D151 C152 D153 L157 Q165 R168 L169 L172I134-I155 HydrophobicContact CG2-CG2 4.46Å; L138-I155 HydrophobicContact CD1-CG2 4.46Å; L138-I155 HydrophobicContact CD2-CD1 3.87Å; F147-I155 HydrophobicContact CD2-CD1 4.4Å; F147-I155 HydrophobicContact CE2-CD1 3.47Å; F147-I155 VanDerWaalsContact CE2-CD1 3.47Å; F147-I155 HydrophobicContact CZ-CD1 4.19Å; D151-I155 PolarHBondContact O-N 2.93Å; C152-I155 PolarHBondContact O-N 3.5Å; C152-I155 VanDerWaalsContact O-N 3.09Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 2.78Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 2.62Å; I155-Q165 HydrophobicContact CG2-CB 4.26Å; I155-Q165 WeakPolarHBondContact CG2-O 3.32Å; I155-Q165 WeakPolarHBondContact O-CG 3.17Å; I155-R168 HydrophobicContact CG1-CB 4.3Å; I155-L169 HydrophobicContact CD1-CB 4.3Å; I155-L169 HydrophobicContact CD1-CD1 3.95Å; I155-L169 HydrophobicContact CG2-CB 4.28Å; I155-L172 HydrophobicContact CD1-CB 4.33Å; I155-L172 HydrophobicContact CD1-CD2 3.7Å; I155-L172 HydrophobicContact CG1-CD2 4.31Å
156Q77.4Confident76.6Confident76 Ų7652 Ų5236%0.35530%0.303SS..SBendtrans-84.514.2-176.2-69.3176.8-39.300114.2D135 L138 C152 D153D135-Q156 PolarHBondContact OD1-NE2 3.42Å; L138-Q156 HydrophobicContact CD1-CG 3.68Å; C152-Q156 WeakPolarHBondContact O-CB 3.39Å; C152-Q156 PolarHBondContact O-N 2.99Å; D153-Q156 PolarHBondContact O-N 2.88Å
157L70.6Confident76.5Confident69 Ų6950 Ų5036%0.36129%0.293SS..  trans-58.2137178.9-65.1177.2000111D153 I155 I159 Y160D153-L157 WeakPolarHBondContact O-CD2 3.36Å; D153-L157 WeakPolarHBondContact O-CG 3.22Å; D153-L157 PolarHBondContact O-N 2.96Å; I155-L157 VanDerWaalsContact C-N 3.26Å; I155-L157 PolarHBondContact O-N 2.62Å; L157-I159 HydrophobicContact CB-CG1 4.09Å; L157-I159 PolarHBondContact O-N 3.24Å; L157-Y160 HydrophobicContact CB-CD2 3.81Å; L157-Y160 HydrophobicContact CB-CE2 3.53Å; L157-Y160 HydrophobicContact CD1-CE2 3.76Å; L157-Y160 HydrophobicContact CG-CE2 4.02Å; L157-Y160 PolarHBondContact O-N 2.83Å; L157-Y160 VanDerWaalsContact O-N 3.14Å
158P51Low76.2Confident128 Ų12854.2 Ų54.283%0.83131%0.308SS*.THydrogen-bonded Turntrans-64.9-14.2-173.1-20.430.9000114.9Y160P158-Y160 VanDerWaalsContact C-N 3.25Å; P158-Y160 PolarHBondContact O-N 2.78Å
159I63.2Low76.4Confident128 Ų12852 Ų5266%0.65629%0.293SS*.THydrogen-bonded Turntrans-78.1-9.3179.961.1172.7000112.9L157L157-I159 HydrophobicContact CB-CG1 4.09Å; L157-I159 PolarHBondContact O-N 3.24Å
160Y70.6Confident77Confident41 Ų4148 Ų4816%0.16127%0.265CS..SBendtrans-102.1135-178.3-55.7-41.7000112L157 P158 R168L157-Y160 HydrophobicContact CB-CD2 3.81Å; L157-Y160 HydrophobicContact CB-CE2 3.53Å; L157-Y160 HydrophobicContact CD1-CE2 3.76Å; L157-Y160 HydrophobicContact CG-CE2 4.02Å; L157-Y160 PolarHBondContact O-N 2.83Å; L157-Y160 VanDerWaalsContact O-N 3.14Å; P158-Y160 VanDerWaalsContact C-N 3.25Å; P158-Y160 PolarHBondContact O-N 2.78Å; Y160-R168 PolarHBondContact OH-NH1 2.78Å; Y160-R168 PolarHBondContact OH-NH2 2.9Å
161T72.8Confident77.3Confident45 Ų4544.9 Ų44.928%0.27624%0.244SC..  trans-68158.9167.668.60000110.7S163 Q164 Q165T161-S163 PolarHBondContact O-N 3.12Å; T161-Q164 CarbonylContact O-C 3.45Å; T161-Q164 WeakPolarHBondContact O-CA 3.27Å; T161-Q164 WeakPolarHBondContact O-CB 3.45Å; T161-Q164 PolarHBondContact O-N 2.93Å; T161-Q164 VanDerWaalsContact OG1-CG 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.4Å; T161-Q164 PolarHBondContact OG1-N 3.29Å; T161-Q164 PolarHBondContact OG1-OE1 3.35Å; T161-Q165 WeakPolarHBondContact O-CG 3.42Å; T161-Q165 PolarHBondContact O-N 3.32Å
162P73.6Confident77.4Confident68 Ų6845.9 Ų45.944%0.44225%0.249SC..Hα-helixtrans-54.1-38178.4-28.335.9000113.7Q131 I134 Q164 Q165 A166Q131-P162 HydrophobicContact CB-CB 4.13Å; Q131-P162 WeakPolarHBondContact O-CB 3.41Å; I134-P162 HydrophobicContact CD1-CB 4.35Å; I134-P162 WeakPolarHBondContact CD1-O 3.26Å; P162-Q164 PolarHBondContact O-N 3.47Å; P162-Q165 PolarHBondContact O-N 2.89Å; P162-A166 WeakPolarHBondContact O-CB 3.34Å; P162-A166 PolarHBondContact O-N 2.95Å
163S75.4Confident77.6Confident11 Ų1145.2 Ų45.28%0.07725%0.245CC..Hα-helixtrans-68.6-34175-390000112.3Q131 T161 A166 R167Q131-S163 PolarHBondContact OE1-OG 3.42Å; T161-S163 PolarHBondContact O-N 3.12Å; S163-A166 PolarHBondContact O-N 3.02Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 2.77Å
164Q77.4Confident77.8Confident27 Ų2743.7 Ų43.713%0.12623%0.233CC..Hα-helixtrans-69.8-37.8173.5-74175.3-32.900112.3E31 T161 P162 R167 R168E31-Q164 PolarHBondContact OE1-NE2 2.93Å; E31-Q164 WeakPolarHBondContact OE2-CG 3.43Å; T161-Q164 CarbonylContact O-C 3.45Å; T161-Q164 WeakPolarHBondContact O-CA 3.27Å; T161-Q164 WeakPolarHBondContact O-CB 3.45Å; T161-Q164 PolarHBondContact O-N 2.93Å; T161-Q164 VanDerWaalsContact OG1-CG 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.4Å; T161-Q164 PolarHBondContact OG1-N 3.29Å; T161-Q164 PolarHBondContact OG1-OE1 3.35Å; P162-Q164 PolarHBondContact O-N 3.47Å; Q164-R167 PolarHBondContact O-N 2.93Å; Q164-R168 WeakPolarHBondContact O-CB 3.43Å; Q164-R168 WeakPolarHBondContact O-CG 3.4Å; Q164-R168 PolarHBondContact O-N 3.13Å
165Q80.4Confident78.2Confident33 Ų3346.3 Ų46.315%0.15425%0.246CC..Hα-helixtrans-63.4-43172.5-65.1-176.8-26.400110.5I134 I155 T161 P162 R167 R168 L169I134-Q165 HydrophobicContact CD1-CB 3.44Å; I134-Q165 VanDerWaalsContact CD1-CB 3.44Å; I134-Q165 HydrophobicContact CD1-CG 4.49Å; I155-Q165 HydrophobicContact CG2-CB 4.26Å; I155-Q165 WeakPolarHBondContact CG2-O 3.32Å; I155-Q165 WeakPolarHBondContact O-CG 3.17Å; T161-Q165 WeakPolarHBondContact O-CG 3.42Å; T161-Q165 PolarHBondContact O-N 3.32Å; P162-Q165 PolarHBondContact O-N 2.89Å; Q165-R167 PolarHBondContact O-N 3.24Å; Q165-R168 PolarHBondContact O-N 3.05Å; Q165-L169 VanDerWaalsContact O-CB 3.31Å; Q165-L169 WeakPolarHBondContact O-CB 3.38Å; Q165-L169 PolarHBondContact O-N 3.48Å
166A83.5Confident78.2Confident0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-62.3-41.4174.300000112.7V127 L130 I134 P162 S163 L169 L170V127-A166 HydrophobicContact CG1-CB 4.3Å; L130-A166 HydrophobicContact CB-CB 3.91Å; I134-A166 HydrophobicContact CD1-CB 4.49Å; P162-A166 WeakPolarHBondContact O-CB 3.34Å; P162-A166 PolarHBondContact O-N 2.95Å; S163-A166 PolarHBondContact O-N 3.02Å; A166-L169 WeakPolarHBondContact O-CB 3.35Å; A166-L169 PolarHBondContact O-N 3.3Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3.12Å
167R84.5Confident78.4Confident13 Ų1347.9 Ų47.95%0.04926%0.258CS..Hα-helixtrans-60.7-47.5173.7-74.3176.8-170.4102.820.1112E31 D35 V127 S163 Q164 Q165 L169 L170 D171E31-R167 IonicContact OE2-CZ 2.72Å; E31-R167 IonicContact OE2-NE 3.7Å; E31-R167 IonicContact OE2-NH1 3.04Å; E31-R167 PolarHBondContact OE2-NH1 3.45Å; D35-R167 IonicContact OD2-CZ 3.56Å; D35-R167 IonicContact OD2-NE 3.55Å; D35-R167 PolarHBondContact OD2-NE 3.1Å; D35-R167 IonicContact OD2-NH2 3.61Å; V127-R167 HydrophobicContact CG1-CG 4.12Å; V127-R167 HydrophobicContact CG2-CG 3.72Å; S163-R167 WeakPolarHBondContact O-CG 3.45Å; S163-R167 PolarHBondContact O-N 2.77Å; Q164-R167 PolarHBondContact O-N 2.93Å; Q165-R167 PolarHBondContact O-N 3.24Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 2.99Å; R167-L170 PolarHBondContact O-N 3.41Å; R167-D171 PolarHBondContact O-N 3.27Å
168R83.6Confident79Confident100 Ų10048.1 Ų48.138%0.37726%0.257SS..Hα-helixtrans-64.2-38.5178.7-75.4174.6168.6-111.4-5.6112.6I155 Y160 Q164 Q165 D171 L172I155-R168 HydrophobicContact CG1-CB 4.3Å; Y160-R168 PolarHBondContact OH-NH1 2.78Å; Y160-R168 PolarHBondContact OH-NH2 2.9Å; Q164-R168 WeakPolarHBondContact O-CB 3.43Å; Q164-R168 WeakPolarHBondContact O-CG 3.4Å; Q164-R168 PolarHBondContact O-N 3.13Å; Q165-R168 PolarHBondContact O-N 3.05Å; R168-D171 PolarHBondContact O-N 3.38Å; R168-L172 WeakPolarHBondContact O-CB 3.07Å; R168-L172 PolarHBondContact O-N 3.04Å
169L87Confident80.4Confident0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-56.8-53.4171.3176.867.1000110.1L130 A137 L138 L141 F147 I155 Q165 A166 R167 D171 L172 V173L130-L169 HydrophobicContact CD1-CD2 4.31Å; L130-L169 HydrophobicContact CD2-CD2 4.37Å; A137-L169 HydrophobicContact CB-CD2 3.82Å; L138-L169 HydrophobicContact CD2-CD1 3.59Å; L138-L169 HydrophobicContact CG-CD1 4.26Å; L141-L169 HydrophobicContact CD1-CD1 3.66Å; F147-L169 HydrophobicContact CE2-CD1 3.77Å; F147-L169 HydrophobicContact CZ-CD1 4.11Å; I155-L169 HydrophobicContact CD1-CB 4.3Å; I155-L169 HydrophobicContact CD1-CD1 3.95Å; I155-L169 HydrophobicContact CG2-CB 4.28Å; Q165-L169 VanDerWaalsContact O-CB 3.31Å; Q165-L169 WeakPolarHBondContact O-CB 3.38Å; Q165-L169 PolarHBondContact O-N 3.48Å; A166-L169 WeakPolarHBondContact O-CB 3.35Å; A166-L169 PolarHBondContact O-N 3.3Å; R167-L169 VanDerWaalsContact C-N 3.33Å; R167-L169 PolarHBondContact O-N 2.99Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.14Å; L169-L172 PolarHBondContact O-N 3.02Å; L169-V173 HydrophobicContact CD1-CG2 4.11Å; L169-V173 HydrophobicContact CG-CG2 4.32Å; L169-V173 VanDerWaalsContact O-CB 3.28Å; L169-V173 WeakPolarHBondContact O-CB 3.1Å; L169-V173 WeakPolarHBondContact O-CG2 3.12Å; L169-V173 PolarHBondContact O-N 2.76Å
170L86.7Confident81.5Confident3 Ų339 Ų392%0.01621%0.208CC..Hα-helixtrans-61.2-36.8178.6-68.6176.9000112.7L119 R123 L126 V127 L130 A166 R167 R174 V184L119-L170 HydrophobicContact CD2-CD2 3.91Å; R123-L170 HydrophobicContact CG-CD1 4.31Å; L126-L170 HydrophobicContact CB-CD1 4.02Å; V127-L170 HydrophobicContact CG2-CD1 3.63Å; L130-L170 HydrophobicContact CD1-CD1 4.32Å; L130-L170 HydrophobicContact CD1-CD2 3.61Å; L130-L170 HydrophobicContact CD1-CG 3.96Å; A166-L170 VanDerWaalsContact O-CG 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.45Å; A166-L170 PolarHBondContact O-N 3.12Å; R167-L170 PolarHBondContact O-N 3.41Å; L170-R174 WeakPolarHBondContact O-CB 3.35Å; L170-R174 PolarHBondContact O-N 2.82Å; L170-V184 HydrophobicContact CD2-CG1 4.47Å
171D84.6Confident82.2Confident40 Ų4037 Ų3721%0.21420%0.201CC..Hα-helixtrans-66.8-45.2178.1-64.2-17.5000111.9W45 R123 R167 R168 L169 R174 S175W45-D171 HydrophobicContact CH2-CB 4.33Å; W45-D171 WeakPolarHBondContact CH2-OD1 3.46Å; W45-D171 HydrophobicContact CZ2-CB 4.3Å; R123-D171 IonicContact CZ-OD1 3.89Å; R123-D171 IonicContact NH1-OD1 3.7Å; R123-D171 PolarHBondContact NH1-OD1 3.07Å; R123-D171 IonicContact NH2-OD1 2.75Å; R123-D171 PolarHBondContact NH2-OD1 3.44Å; R123-D171 IonicContact NH2-OD2 2.77Å; R167-D171 PolarHBondContact O-N 3.27Å; R168-D171 PolarHBondContact O-N 3.38Å; L169-D171 VanDerWaalsContact C-N 3.29Å; L169-D171 PolarHBondContact O-N 3.14Å; D171-R174 PolarHBondContact O-N 3.19Å; D171-S175 PolarHBondContact O-N 2.99Å
172L84.3Confident82.8Confident46 Ų4638.9 Ų38.924%0.24121%0.208CC..Hα-helixtrans-70.1-42.1179.3-166.964.6000110.8F147 D151 I155 R168 L169 R174 S175 K176F147-L172 HydrophobicContact CE1-CD2 4.44Å; F147-L172 HydrophobicContact CE1-CG 4.35Å; F147-L172 HydrophobicContact CE2-CD2 3.83Å; F147-L172 HydrophobicContact CE2-CG 4.45Å; F147-L172 HydrophobicContact CZ-CB 3.99Å; F147-L172 HydrophobicContact CZ-CD2 3.73Å; F147-L172 HydrophobicContact CZ-CG 3.85Å; D151-L172 HydrophobicContact CB-CD2 3.73Å; I155-L172 HydrophobicContact CD1-CB 4.33Å; I155-L172 HydrophobicContact CD1-CD2 3.7Å; I155-L172 HydrophobicContact CG1-CD2 4.31Å; R168-L172 WeakPolarHBondContact O-CB 3.07Å; R168-L172 PolarHBondContact O-N 3.04Å; L169-L172 PolarHBondContact O-N 3.02Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 3.36Å; L172-S175 PolarHBondContact O-N 3.39Å; L172-S175 VanDerWaalsContact O-N 3.11Å; L172-S175 PolarHBondContact O-OG 3.14Å; L172-K176 VanDerWaalsContact O-CG 3.22Å; L172-K176 WeakPolarHBondContact O-CG 3.41Å; L172-K176 PolarHBondContact O-N 3.08Å
173V87.2Confident83.3Confident0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-56.3-47.2174.1168.20000110.7L119 L141 F147 L169 S175 K176 G177 A180 V184L119-V173 HydrophobicContact CD1-CG1 3.79Å; L141-V173 HydrophobicContact CD1-CG2 3.67Å; L141-V173 HydrophobicContact CD2-CG2 4.41Å; F147-V173 HydrophobicContact CE1-CG2 3.99Å; F147-V173 HydrophobicContact CZ-CG2 3.72Å; L169-V173 HydrophobicContact CD1-CG2 4.11Å; L169-V173 HydrophobicContact CG-CG2 4.32Å; L169-V173 VanDerWaalsContact O-CB 3.28Å; L169-V173 WeakPolarHBondContact O-CB 3.1Å; L169-V173 WeakPolarHBondContact O-CG2 3.12Å; L169-V173 PolarHBondContact O-N 2.76Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.43Å; V173-K176 PolarHBondContact O-N 2.82Å; V173-K176 VanDerWaalsContact O-N 3.12Å; V173-G177 PolarHBondContact O-N 3.22Å; V173-A180 HydrophobicContact CG1-CB 4.14Å; V173-A180 WeakPolarHBondContact CG1-O 3.19Å; V173-V184 HydrophobicContact CB-CG2 4.41Å; V173-V184 HydrophobicContact CG1-CB 4.46Å; V173-V184 HydrophobicContact CG1-CG2 3.89Å; V173-V184 HydrophobicContact CG2-CG2 3.63Å
174R83.3Confident83.8Confident54 Ų5435.9 Ų35.920%0.20419%0.19CC..Hα-helixtrans-62.8-38.8177.1-164.2-171.671.3-156.8-2.2111.9W45 T116 L170 D171 L172 K176 G177W45-R174 VanDerWaalsContact CD1-NH2 3.32Å; W45-R174 VanDerWaalsContact CZ3-NH1 3.34Å; W45-R174 VanDerWaalsContact NE1-NH2 3.14Å; T116-R174 HydrophobicContact CG2-CG 4.4Å; L170-R174 WeakPolarHBondContact O-CB 3.35Å; L170-R174 PolarHBondContact O-N 2.82Å; D171-R174 PolarHBondContact O-N 3.19Å; L172-R174 VanDerWaalsContact C-N 3.32Å; L172-R174 PolarHBondContact O-N 3.36Å; R174-K176 PolarHBondContact O-N 3.5Å; R174-G177 PolarHBondContact O-N 3.13Å
175S82.2Confident84.2Confident86 Ų8635.7 Ų35.760%0.60119%0.189SC*.Hα-helixtrans-66.6-24.4176.4790000113.8D171 L172 V173D171-S175 PolarHBondContact O-N 2.99Å; L172-S175 PolarHBondContact O-N 3.39Å; L172-S175 VanDerWaalsContact O-N 3.11Å; L172-S175 PolarHBondContact O-OG 3.14Å; V173-S175 VanDerWaalsContact C-N 3.32Å; V173-S175 PolarHBondContact O-N 3.43Å
176K83.4Confident84.3Confident89 Ų8938.7 Ų38.739%0.38720%0.204SC..Hα-helixtrans-86.8-10.6178.4-61.2-85.1-177.6164.20112.9F147 D151 L172 V173 R174 A180F147-K176 HydrophobicContact CE1-CG 4.15Å; D151-K176 VanDerWaalsContact CG-NZ 3.32Å; D151-K176 IonicContact OD1-NZ 3.33Å; D151-K176 PolarHBondContact OD1-NZ 3.06Å; D151-K176 IonicContact OD2-NZ 3.38Å; D151-K176 PolarHBondContact OD2-NZ 3.21Å; L172-K176 VanDerWaalsContact O-CG 3.22Å; L172-K176 WeakPolarHBondContact O-CG 3.41Å; L172-K176 PolarHBondContact O-N 3.08Å; V173-K176 PolarHBondContact O-N 2.82Å; V173-K176 VanDerWaalsContact O-N 3.12Å; R174-K176 PolarHBondContact O-N 3.5Å; K176-A180 HydrophobicContact CB-CB 3.89Å
177G81.8Confident84.5Confident24 Ų2440.2 Ų40.225%0.24721%0.21CC..  trans101.7-168.3169.300000115.6V173 R174 S179 A180 S181V173-G177 PolarHBondContact O-N 3.22Å; R174-G177 PolarHBondContact O-N 3.13Å; G177-S179 PolarHBondContact O-N 3.28Å; G177-A180 PolarHBondContact O-N 3.38Å; G177-S181 PolarHBondContact O-N 3.04Å; G177-S181 PolarHBondContact O-OG 3.24Å
178E82.4Confident84.3Confident74 Ų7440.1 Ų40.135%0.34621%0.211SC..Hα-helixtrans-61.9-41.3-170.6-71.1-59.5152.500114.3T114 S115 T116 A180 S181 L182T114-E178 VanDerWaalsContact CB-OE1 3.29Å; T114-E178 WeakPolarHBondContact CB-OE1 3.44Å; S115-E178 WeakPolarHBondContact CA-OE2 3.31Å; S115-E178 WeakPolarHBondContact CB-OE2 3.45Å; S115-E178 PolarHBondContact N-OE2 3.22Å; S115-E178 PolarHBondContact OG-O 3.19Å; S115-E178 PolarHBondContact OG-OE2 3.34Å; T116-E178 WeakPolarHBondContact CB-OE1 3.47Å; T116-E178 HydrophobicContact CG2-CG 4.41Å; T116-E178 WeakPolarHBondContact CG2-OE1 3.37Å; T116-E178 PolarHBondContact N-OE2 2.62Å; T116-E178 VanDerWaalsContact N-OE2 3.1Å; T116-E178 PolarHBondContact OG1-OE1 3.23Å; E178-A180 PolarHBondContact O-N 2.88Å; E178-S181 WeakPolarHBondContact O-CB 3.39Å; E178-S181 PolarHBondContact O-N 2.96Å; E178-L182 WeakPolarHBondContact O-CB 3.26Å; E178-L182 PolarHBondContact O-N 3.01Å
179S80.7Confident84.1Confident65 Ų6541.3 Ų41.346%0.45522%0.221SC..Hα-helixtrans-63.9-42.9-17848.90000112.6G177 S181 L182 A183G177-S179 PolarHBondContact O-N 3.28Å; S179-S181 VanDerWaalsContact C-N 3.32Å; S179-S181 PolarHBondContact O-N 3.39Å; S179-L182 PolarHBondContact O-N 3.16Å; S179-A183 PolarHBondContact O-N 3.35Å; S179-A183 VanDerWaalsContact O-N 3.08Å
180A85.2Confident83.5Confident0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-65.5-38174.600000111.6L141 H146 V173 K176 G177 E178 A183 V184L141-A180 HydrophobicContact CD2-CB 4.35Å; H146-A180 HydrophobicContact CB-CB 4.06Å; V173-A180 HydrophobicContact CG1-CB 4.14Å; V173-A180 WeakPolarHBondContact CG1-O 3.19Å; K176-A180 HydrophobicContact CB-CB 3.89Å; G177-A180 PolarHBondContact O-N 3.38Å; E178-A180 PolarHBondContact O-N 2.88Å; A180-A183 PolarHBondContact O-N 2.8Å; A180-V184 PolarHBondContact O-N 3.21Å
181S86.4Confident82.5Confident0 Ų048.3 Ų48.30%026%0.256CS..Hα-helixtrans-65.2-41.3179.2-58.50000111.8T116 L119 G177 E178 S179 V184 L185T116-S181 VanDerWaalsContact CG2-OG 3.26Å; T116-S181 WeakPolarHBondContact CG2-OG 3.16Å; L119-S181 VanDerWaalsContact CD1-CB 3.46Å; L119-S181 WeakPolarHBondContact CD1-OG 3.19Å; G177-S181 PolarHBondContact O-N 3.04Å; G177-S181 PolarHBondContact O-OG 3.24Å; E178-S181 WeakPolarHBondContact O-CB 3.39Å; E178-S181 PolarHBondContact O-N 2.96Å; S179-S181 VanDerWaalsContact C-N 3.32Å; S179-S181 PolarHBondContact O-N 3.39Å; S181-V184 PolarHBondContact O-N 3.34Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.79Å; S181-L185 VanDerWaalsContact O-N 3.14Å
182L84.7Confident81.2Confident83 Ų8350.5 Ų50.544%0.43527%0.268SS..Hα-helixtrans-66.2-39.3175.5-170136.2000112.3E178 S179 V184 L185 Q186E178-L182 WeakPolarHBondContact O-CB 3.26Å; E178-L182 PolarHBondContact O-N 3.01Å; S179-L182 PolarHBondContact O-N 3.16Å; L182-V184 PolarHBondContact O-N 3.32Å; L182-L185 PolarHBondContact O-N 3.21Å; L182-Q186 HydrophobicContact CD2-CG 4.28Å; L182-Q186 WeakPolarHBondContact O-CB 3.42Å; L182-Q186 WeakPolarHBondContact O-CG 3.28Å; L182-Q186 PolarHBondContact O-N 3.35Å
183A84.8Confident79.6Confident16 Ų1655.4 Ų55.413%0.13229%0.289CS..Hα-helixtrans-61.7-41.417700000112.7L141 S179 A180 F187L141-A183 HydrophobicContact CD2-CB 4.16Å; S179-A183 PolarHBondContact O-N 3.35Å; S179-A183 VanDerWaalsContact O-N 3.08Å; A180-A183 PolarHBondContact O-N 2.8Å; A183-F187 WeakPolarHBondContact O-CB 3.32Å; A183-F187 PolarHBondContact O-N 3.43Å
184V85.9Confident77.9Confident1 Ų158.2 Ų58.21%0.00631%0.309CS..Hα-helixtrans-69.5-41.6176.5177.70000111.9L130 L141 L170 V173 A180 S181 L182 Q186 F187 V188L130-V184 HydrophobicContact CD1-CG1 4.05Å; L130-V184 HydrophobicContact CD2-CG1 4.28Å; L141-V184 HydrophobicContact CD1-CG2 3.66Å; L141-V184 HydrophobicContact CD2-CG2 3.8Å; L141-V184 HydrophobicContact CG-CG2 3.93Å; L170-V184 HydrophobicContact CD2-CG1 4.47Å; V173-V184 HydrophobicContact CB-CG2 4.41Å; V173-V184 HydrophobicContact CG1-CB 4.46Å; V173-V184 HydrophobicContact CG1-CG2 3.89Å; V173-V184 HydrophobicContact CG2-CG2 3.63Å; A180-V184 PolarHBondContact O-N 3.21Å; S181-V184 PolarHBondContact O-N 3.34Å; L182-V184 PolarHBondContact O-N 3.32Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 2.79Å; V184-F187 PolarHBondContact O-N 3Å; V184-V188 HydrophobicContact CG1-CG2 4.42Å; V184-V188 WeakPolarHBondContact O-CG2 3.35Å; V184-V188 PolarHBondContact O-N 2.75Å
185L84.9Confident76Confident22 Ų2262.6 Ų62.612%0.11533%0.332CS..Hα-helixtrans-62.6-40.8177.4-73.3170.4000111.7E118 L119 L126 S181 L182 V188 Q189E118-L185 HydrophobicContact CB-CD1 4.23Å; E118-L185 HydrophobicContact CG-CD1 4.29Å; L119-L185 HydrophobicContact CD2-CD1 4.3Å; L119-L185 HydrophobicContact CD2-CD2 3.78Å; L119-L185 HydrophobicContact CD2-CG 3.81Å; L119-L185 HydrophobicContact CG-CD1 4.39Å; L119-L185 HydrophobicContact CG-CG 4.41Å; L126-L185 HydrophobicContact CD1-CD2 4.1Å; L126-L185 HydrophobicContact CD2-CD2 4.21Å; S181-L185 WeakPolarHBondContact O-CG 3.24Å; S181-L185 PolarHBondContact O-N 2.79Å; S181-L185 VanDerWaalsContact O-N 3.14Å; L182-L185 PolarHBondContact O-N 3.21Å; L185-V188 PolarHBondContact O-N 3.17Å; L185-Q189 WeakPolarHBondContact O-CG 3.24Å; L185-Q189 PolarHBondContact O-N 2.72Å
186Q84.3Confident74Confident97 Ų9763.3 Ų63.345%0.45334%0.337SS..Hα-helixtrans-63.7-43173.4-75.7-179.4-16.600112.3L182 V184 V188 Q189 Q190L182-Q186 HydrophobicContact CD2-CG 4.28Å; L182-Q186 WeakPolarHBondContact O-CB 3.42Å; L182-Q186 WeakPolarHBondContact O-CG 3.28Å; L182-Q186 PolarHBondContact O-N 3.35Å; V184-Q186 VanDerWaalsContact C-N 3.33Å; V184-Q186 PolarHBondContact O-N 2.79Å; Q186-V188 VanDerWaalsContact C-N 3.34Å; Q186-V188 PolarHBondContact O-N 3.45Å; Q186-Q189 PolarHBondContact O-N 2.8Å; Q186-Q190 WeakPolarHBondContact O-CB 3.14Å; Q186-Q190 WeakPolarHBondContact O-CG 3.34Å; Q186-Q190 PolarHBondContact O-N 2.86Å
187F85.8Confident71.8Confident32 Ų3263.4 Ų63.414%0.1435%0.349CS..Hα-helixtrans-59.8-43.9175.8172.9-96.2000111.8L130 C133 G136 A137 A140 A183 V184 Q190 S191L130-F187 HydrophobicContact CD2-CD1 4.46Å; C133-F187 HydrophobicContact CB-CE1 4.17Å; C133-F187 HydrophobicContact CB-CZ 4.23Å; G136-F187 VanDerWaalsContact C-CE2 3.44Å; A137-F187 HydrophobicContact CB-CD1 3.72Å; A137-F187 HydrophobicContact CB-CE1 3.63Å; A137-F187 HydrophobicContact CB-CG 4.48Å; A137-F187 HydrophobicContact CB-CZ 4.34Å; A137-F187 VanDerWaalsContact N-CZ 3.29Å; A140-F187 HydrophobicContact CB-CB 4.45Å; A140-F187 HydrophobicContact CB-CD2 3.91Å; A140-F187 HydrophobicContact CB-CG 4.37Å; A183-F187 WeakPolarHBondContact O-CB 3.32Å; A183-F187 PolarHBondContact O-N 3.43Å; V184-F187 PolarHBondContact O-N 3Å; F187-Q190 PolarHBondContact O-N 3.41Å; F187-S191 WeakPolarHBondContact O-CB 3.47Å; F187-S191 PolarHBondContact O-N 2.83Å; F187-S191 PolarHBondContact O-OG 2.88Å
188V82.1Confident69.6Low11 Ų1169.4 Ų69.47%0.06738%0.375CS..Hα-helixtrans-65.6-38.7177.9173.80000111.3L126 K129 L130 V184 L185 Q186 L192L126-V188 HydrophobicContact CD2-CG1 4.14Å; L126-V188 HydrophobicContact CD2-CG2 4.31Å; K129-V188 HydrophobicContact CB-CG1 4.38Å; K129-V188 HydrophobicContact CD-CG1 3.89Å; L130-V188 HydrophobicContact CD2-CG2 3.66Å; L130-V188 HydrophobicContact CG-CG2 4.07Å; V184-V188 HydrophobicContact CG1-CG2 4.42Å; V184-V188 WeakPolarHBondContact O-CG2 3.35Å; V184-V188 PolarHBondContact O-N 2.75Å; L185-V188 PolarHBondContact O-N 3.17Å; Q186-V188 VanDerWaalsContact C-N 3.34Å; Q186-V188 PolarHBondContact O-N 3.45Å; V188-L192 HydrophobicContact CG1-CD1 4.39Å; V188-L192 WeakPolarHBondContact O-CD1 3.49Å; V188-L192 WeakPolarHBondContact O-CG 3.34Å; V188-L192 PolarHBondContact O-N 3.33Å
189Q77.8Confident67.4Low125 Ų12574.6 Ų74.658%0.58440%0.399SS*.Hα-helixtrans-65.7-44.4174.8-78.6177.8-1300112.6L185 Q186 S191 L192 E193L185-Q189 WeakPolarHBondContact O-CG 3.24Å; L185-Q189 PolarHBondContact O-N 2.72Å; Q186-Q189 PolarHBondContact O-N 2.8Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 3.17Å; Q189-L192 PolarHBondContact O-N 3.09Å; Q189-E193 PolarHBondContact O-N 2.93Å
190Q75.7Confident65.2Low123 Ų12379.9 Ų79.958%0.57542%0.416SS*.Hα-helixtrans-66.4-35.5177.2-72174.5-0.400112.2Q186 F187 L192 E193 S194Q186-Q190 WeakPolarHBondContact O-CB 3.14Å; Q186-Q190 WeakPolarHBondContact O-CG 3.34Å; Q186-Q190 PolarHBondContact O-N 2.86Å; F187-Q190 PolarHBondContact O-N 3.41Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.3Å; Q190-E193 PolarHBondContact O-N 3.26Å; Q190-S194 PolarHBondContact O-N 3.47Å; Q190-S194 PolarHBondContact O-OG 3.31Å
191S66.1Low62.9Low26 Ų2686 Ų8618%0.18245%0.454CS..Hα-helixtrans-61.8-40.1176.2-60.20000111.4F187 Q189 E193 S194 E195F187-S191 WeakPolarHBondContact O-CB 3.47Å; F187-S191 PolarHBondContact O-N 2.83Å; F187-S191 PolarHBondContact O-OG 2.88Å; Q189-S191 VanDerWaalsContact C-N 3.33Å; Q189-S191 PolarHBondContact O-N 3.17Å; S191-E193 PolarHBondContact O-N 3.42Å; S191-S194 WeakPolarHBondContact CA-OG 3.27Å; S191-S194 PolarHBondContact O-N 3.35Å; S191-S194 PolarHBondContact O-OG 3.41Å; S191-E195 PolarHBondContact O-N 3.23Å; S191-E195 VanDerWaalsContact O-N 3.08Å
192L57.2Low60.6Low86 Ų8691.6 Ų91.645%0.4548%0.484SS..Hα-helixtrans-66-33.1176.8-72.8160.6000113.3V188 Q189 Q190V188-L192 HydrophobicContact CG1-CD1 4.39Å; V188-L192 WeakPolarHBondContact O-CD1 3.49Å; V188-L192 WeakPolarHBondContact O-CG 3.34Å; V188-L192 PolarHBondContact O-N 3.33Å; Q189-L192 PolarHBondContact O-N 3.09Å; Q190-L192 VanDerWaalsContact C-N 3.31Å; Q190-L192 PolarHBondContact O-N 3.3Å
193E50.6Low58.7Low149 Ų14990.7 Ų90.770%0.69648%0.483SS*.Hα-helixtrans-75.1-36.3175.4-69.1-179171.100111.5Q189 Q190 S191 S196Q189-E193 PolarHBondContact O-N 2.93Å; Q190-E193 PolarHBondContact O-N 3.26Å; S191-E193 PolarHBondContact O-N 3.42Å; E193-S196 PolarHBondContact O-N 3.05Å; E193-S196 PolarHBondContact O-OG 3.34Å
194S49.7Very low57.4Low60 Ų6098.2 Ų98.242%0.4252%0.521SS..Hα-helixtrans-72.8-29.617963.30000114.7Q190 S191 S196 S197Q190-S194 PolarHBondContact O-N 3.47Å; Q190-S194 PolarHBondContact O-OG 3.31Å; S191-S194 WeakPolarHBondContact CA-OG 3.27Å; S191-S194 PolarHBondContact O-N 3.35Å; S191-S194 PolarHBondContact O-OG 3.41Å; S194-S196 PolarHBondContact O-N 3.01Å; S194-S197 PolarHBondContact O-N 3.41Å; S194-S197 VanDerWaalsContact O-N 3.14Å; S194-S197 PolarHBondContact O-OG 3.37Å
195E45Very low56.7Low146 Ų146100.2 Ų100.268%0.68253%0.531SS*.G310 helixtrans-63.7-20.6175.7-81.7-176.4165.500113.3S191 S197S191-E195 PolarHBondContact O-N 3.23Å; S191-E195 VanDerWaalsContact O-N 3.08Å; E195-S197 VanDerWaalsContact C-N 3.27Å; E195-S197 PolarHBondContact O-N 3.09Å
196S40.2Very low56.5Low101 Ų101101.8 Ų101.871%0.70654%0.542SS*.G310 helixtrans-77.1-6.9175.872.30000114.7E193 S194E193-S196 PolarHBondContact O-N 3.05Å; E193-S196 PolarHBondContact O-OG 3.34Å; S194-S196 PolarHBondContact O-N 3.01Å
197S37Very low56.4Low91 Ų91103.3 Ų103.364%0.63655%0.553SS**G310 helixtrans-118.32.1-169.464.30000115.7S194 E195S194-S197 PolarHBondContact O-N 3.41Å; S194-S197 VanDerWaalsContact O-N 3.14Å; S194-S197 PolarHBondContact O-OG 3.37Å; E195-S197 VanDerWaalsContact C-N 3.27Å; E195-S197 PolarHBondContact O-N 3.09Å
198L35.1Very low56.4Low150 Ų150103.9 Ų103.979%0.78556%0.556SS**  trans-110.920.9-179.9-74.9169.7000114.3Q200L198-Q200 PolarHBondContact O-N 2.9Å
199E36.8Very low56.7Low183 Ų183103.5 Ų103.586%0.85555%0.554SS**  trans-85.180.4165.7-74-169.416700110.6
200Q34.1Very low57.3Low175 Ų17599.7 Ų99.782%0.81854%0.539SS*.  trans-131.8115.6152.5-73.9-168.5-2.500111.2L198L198-Q200 PolarHBondContact O-N 2.9Å
201T35.8Very low57.9Low129 Ų12999 Ų9979%0.79153%0.534SS*.SBendtrans63.179.5158.962.50000117.3
202N39.1Very low59.2Low117 Ų11798 Ų9863%0.62653%0.526SS*.  trans-137146.8144.8-90.2-41.6000108.3
203P44.7Very low60.9Low65 Ų6595.1 Ų95.142%0.42251%0.511SS..  trans-54.6154.8174.924.3-32.5000109.6L205P203-L205 HydrophobicContact CG-CD2 4.38Å; P203-L205 WeakPolarHBondContact O-CG 3.38Å; P203-L205 PolarHBondContact O-N 3.36Å
204N56.7Low62.9Low174 Ų17494.5 Ų94.593%0.9351%0.506SS*.  trans-5382.9177.1-88.7-25.7000111.6
205L71.4Confident65Low42 Ų4295 Ų9522%0.2250%0.5CS..  trans-76.7129.3178.5-65.9176.9000107.8P203 F209 V210 L310 F350P203-L205 HydrophobicContact CG-CD2 4.38Å; P203-L205 WeakPolarHBondContact O-CG 3.38Å; P203-L205 PolarHBondContact O-N 3.36Å; L205-F209 HydrophobicContact CB-CD1 4.13Å; L205-F209 HydrophobicContact CD1-CD1 4Å; L205-F209 HydrophobicContact CD1-CE1 3.95Å; L205-F209 HydrophobicContact CD2-CD1 3.69Å; L205-F209 HydrophobicContact CD2-CE1 3.76Å; L205-F209 HydrophobicContact CD2-CG 4.31Å; L205-F209 HydrophobicContact CD2-CZ 4.43Å; L205-F209 HydrophobicContact CG-CD1 4.14Å; L205-F209 HydrophobicContact CG-CE1 4.37Å; L205-V210 HydrophobicContact CB-CG2 4.2Å; L205-L310 HydrophobicContact CD1-CD1 4.32Å; L205-F350 HydrophobicContact CD2-CD2 4.23Å; L205-F350 HydrophobicContact CD2-CE2 3.32Å; L205-F350 HydrophobicContact CD2-CZ 3.57Å
206T80.4Confident67.2Low56 Ų5688.1 Ų88.134%0.34447%0.468SS..  trans-72.4154.8178.6620000111.4E208 F209 V210 E346T206-E208 PolarHBondContact O-N 2.93Å; T206-E208 VanDerWaalsContact O-N 3.17Å; T206-F209 WeakPolarHBondContact O-CB 3.36Å; T206-F209 PolarHBondContact O-N 3.41Å; T206-V210 PolarHBondContact O-N 3.1Å; T206-V210 VanDerWaalsContact O-N 3.12Å; T206-E346 WeakPolarHBondContact CB-OE1 3.43Å; T206-E346 WeakPolarHBondContact CG2-OE1 3.32Å; T206-E346 PolarHBondContact OG1-OE1 2.89Å
207N82.9Confident69.8Low129 Ų12985.8 Ų85.869%0.6945%0.445SS*.Hα-helixtrans-56.8-33178.9-77.7-23.3000112.5K211N207-K211 VanDerWaalsContact O-CG 3.3Å; N207-K211 WeakPolarHBondContact O-CG 3.49Å; N207-K211 PolarHBondContact O-N 3.13Å; N207-K211 VanDerWaalsContact O-N 3.12Å
208E85.6Confident72.4Confident43 Ų4385.4 Ų85.420%0.20144%0.442CS..Hα-helixtrans-71.8-36.9177.5-62.3-53.3129.400112.1T206 K211 Y212 R342T206-E208 PolarHBondContact O-N 2.93Å; T206-E208 VanDerWaalsContact O-N 3.17Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-K211 IonicContact OE1-NZ 3.53Å; E208-K211 PolarHBondContact OE1-NZ 3.33Å; E208-K211 IonicContact OE2-NZ 2.81Å; E208-Y212 PolarHBondContact O-N 3.32Å; E208-R342 WeakPolarHBondContact OE2-CB 3.46Å
209F89.5Confident75Confident3 Ų379 Ų791%0.01341%0.411CS..Hα-helixtrans-61-46.9172.2-179-90.2000111.9L205 T206 K211 Y212 Q213 L310 L311 F350L205-F209 HydrophobicContact CB-CD1 4.13Å; L205-F209 HydrophobicContact CD1-CD1 4Å; L205-F209 HydrophobicContact CD1-CE1 3.95Å; L205-F209 HydrophobicContact CD2-CD1 3.69Å; L205-F209 HydrophobicContact CD2-CE1 3.76Å; L205-F209 HydrophobicContact CD2-CG 4.31Å; L205-F209 HydrophobicContact CD2-CZ 4.43Å; L205-F209 HydrophobicContact CG-CD1 4.14Å; L205-F209 HydrophobicContact CG-CE1 4.37Å; T206-F209 WeakPolarHBondContact O-CB 3.36Å; T206-F209 PolarHBondContact O-N 3.41Å; F209-K211 VanDerWaalsContact C-N 3.31Å; F209-K211 PolarHBondContact O-N 2.98Å; F209-Y212 WeakPolarHBondContact O-CB 3.41Å; F209-Y212 PolarHBondContact O-N 3.32Å; F209-Y212 VanDerWaalsContact O-N 3.15Å; F209-Q213 HydrophobicContact CE1-CB 4.43Å; F209-Q213 WeakPolarHBondContact O-CB 3.4Å; F209-Q213 PolarHBondContact O-N 3.37Å; F209-L310 HydrophobicContact CE1-CD1 4.25Å; F209-L310 HydrophobicContact CZ-CB 4.38Å; F209-L310 HydrophobicContact CZ-CD1 4.33Å; F209-L311 HydrophobicContact CE2-CD1 3.84Å; F209-L311 HydrophobicContact CE2-CD2 4.32Å; F209-L311 HydrophobicContact CE2-CG 4.27Å; F209-L311 HydrophobicContact CZ-CD1 4.09Å; F209-L311 HydrophobicContact CZ-CD2 4.08Å; F209-L311 HydrophobicContact CZ-CG 4.04Å; F209-F350 HydrophobicContact CD2-CB 4.38Å; F209-F350 AromaticContact CD2-CD1 3.83Å; F209-F350 HydrophobicContact CD2-CD1 3.83Å; F209-F350 HydrophobicContact CD2-CD2 4.42Å; F209-F350 HydrophobicContact CD2-CE1 4.23Å; F209-F350 AromaticContact CD2-CG 3.93Å; F209-F350 HydrophobicContact CD2-CG 3.93Å; F209-F350 HydrophobicContact CE1-CE1 4.28Å; F209-F350 HydrophobicContact CE1-CZ 4.36Å; F209-F350 HydrophobicContact CE2-CB 4.46Å; F209-F350 AromaticContact CE2-CD1 3.14Å; F209-F350 HydrophobicContact CE2-CD1 3.14Å; F209-F350 HydrophobicContact CE2-CD2 4.38Å; F209-F350 AromaticContact CE2-CE1 3.31Å; F209-F350 HydrophobicContact CE2-CE1 3.31Å; F209-F350 AromaticContact CE2-CG 3.74Å; F209-F350 HydrophobicContact CE2-CG 3.74Å; F209-F350 HydrophobicContact CE2-CZ 4.03Å; F209-F350 AromaticContact CZ-CD1 3.74Å; F209-F350 HydrophobicContact CZ-CD1 3.74Å; F209-F350 AromaticContact CZ-CE1 3.34Å; F209-F350 HydrophobicContact CZ-CE1 3.34Å; F209-F350 AromaticContact CZ-CZ 3.83Å; F209-F350 HydrophobicContact CZ-CZ 3.83Å
210V89.1Confident77.6Confident46 Ų4670.4 Ų70.428%0.27937%0.37SS..Hα-helixtrans-62.3-39.9179.6176.90000111.2L205 T206 Q213 K214L205-V210 HydrophobicContact CB-CG2 4.2Å; T206-V210 PolarHBondContact O-N 3.1Å; T206-V210 VanDerWaalsContact O-N 3.12Å; V210-Q213 PolarHBondContact O-N 3.37Å; V210-K214 HydrophobicContact CG1-CD 4.48Å; V210-K214 WeakPolarHBondContact O-CG 3.43Å; V210-K214 PolarHBondContact O-N 3.42Å
211K89.6Confident80.3Confident108 Ų10863.4 Ų63.447%0.4734%0.341SS..Hα-helixtrans-61.6-46.4173.4-73.3172-171.1170.10111.5N207 E208 F209 Q213 K214 K215N207-K211 VanDerWaalsContact O-CG 3.3Å; N207-K211 WeakPolarHBondContact O-CG 3.49Å; N207-K211 PolarHBondContact O-N 3.13Å; N207-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-K211 IonicContact OE1-NZ 3.53Å; E208-K211 PolarHBondContact OE1-NZ 3.33Å; E208-K211 IonicContact OE2-NZ 2.81Å; F209-K211 VanDerWaalsContact C-N 3.31Å; F209-K211 PolarHBondContact O-N 2.98Å; K211-Q213 PolarHBondContact O-N 3.4Å; K211-K214 PolarHBondContact O-N 3.47Å; K211-K215 PolarHBondContact O-N 3.32Å
212Y92.9Very high82.6Confident4 Ų460.4 Ų60.42%0.01633%0.329CS..Hα-helixtrans-61.6-44.3177.6179.5-114000112.2E208 F209 K214 K215 L216 L311 F313 C338 P340 I347E208-Y212 PolarHBondContact O-N 3.32Å; F209-Y212 WeakPolarHBondContact O-CB 3.41Å; F209-Y212 PolarHBondContact O-N 3.32Å; F209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-K214 VanDerWaalsContact C-N 3.34Å; Y212-K214 PolarHBondContact O-N 3.47Å; Y212-K215 WeakPolarHBondContact O-CB 3.3Å; Y212-K215 PolarHBondContact O-N 2.99Å; Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.97Å; Y212-L311 HydrophobicContact CD1-CD2 4.17Å; Y212-L311 HydrophobicContact CE1-CD2 4.22Å; Y212-F313 HydrophobicContact CE1-CZ 4.24Å; Y212-F313 VanDerWaalsContact OH-CE1 3.26Å; Y212-F313 WeakPolarHBondContact OH-CE1 3.48Å; Y212-C338 HydrophobicContact CE2-CB 4.41Å; Y212-C338 WeakPolarHBondContact CE2-O 3.32Å; Y212-C338 PolarHBondContact OH-O 2.92Å; Y212-P340 HydrophobicContact CD2-CB 3.68Å; Y212-P340 HydrophobicContact CD2-CG 3.85Å; Y212-P340 HydrophobicContact CE2-CB 3.93Å; Y212-P340 HydrophobicContact CE2-CG 3.59Å; Y212-P340 HydrophobicContact CG-CB 4.34Å; Y212-I347 HydrophobicContact CD1-CD1 4.33Å; Y212-I347 HydrophobicContact CD1-CG2 3.53Å; Y212-I347 HydrophobicContact CD2-CD1 4.46Å; Y212-I347 HydrophobicContact CE1-CG2 3.71Å; Y212-I347 HydrophobicContact CG-CD1 3.91Å; Y212-I347 HydrophobicContact CG-CG2 4.17Å
213Q93.3Very high84.7Confident26 Ų2657.7 Ų57.712%0.12131%0.312CS..Hα-helixtrans-58.1-46.2176.6-174.1-175.140.600111.5F209 V210 K211 L216 K217 L310 L311F209-Q213 HydrophobicContact CE1-CB 4.43Å; F209-Q213 WeakPolarHBondContact O-CB 3.4Å; F209-Q213 PolarHBondContact O-N 3.37Å; V210-Q213 PolarHBondContact O-N 3.37Å; K211-Q213 PolarHBondContact O-N 3.4Å; Q213-L216 PolarHBondContact O-N 3.17Å; Q213-K217 WeakPolarHBondContact O-CG 3.26Å; Q213-K217 PolarHBondContact O-N 3.13Å; Q213-L310 WeakPolarHBondContact CG-O 3.32Å; Q213-L310 PolarHBondContact NE2-O 2.96Å; Q213-L311 HydrophobicContact CB-CD2 4.33Å; Q213-L311 HydrophobicContact CG-CD2 4.35Å
214K92.2Very high86.8Confident137 Ų13754.8 Ų54.860%0.59629%0.294SS*.Hα-helixtrans-62.2-43.1176.2-73.5179.1-179.6-177.60111.7V210 K211 Y212 K217 S218V210-K214 HydrophobicContact CG1-CD 4.48Å; V210-K214 WeakPolarHBondContact O-CG 3.43Å; V210-K214 PolarHBondContact O-N 3.42Å; K211-K214 PolarHBondContact O-N 3.47Å; Y212-K214 VanDerWaalsContact C-N 3.34Å; Y212-K214 PolarHBondContact O-N 3.47Å; K214-K217 PolarHBondContact O-N 3.33Å; K214-S218 WeakPolarHBondContact O-CB 3.36Å; K214-S218 PolarHBondContact O-N 3.39Å
215K93Very high88.2Confident71 Ų7152.4 Ų52.431%0.30927%0.272SS..Hα-helixtrans-60.8-46.7176.2-174.9-179-178.3179.40111.6K211 Y212 S218 S219 W339 D341K211-K215 PolarHBondContact O-N 3.32Å; Y212-K215 WeakPolarHBondContact O-CB 3.3Å; Y212-K215 PolarHBondContact O-N 2.99Å; K215-S218 PolarHBondContact O-N 2.86Å; K215-S219 WeakPolarHBondContact O-CB 3.46Å; K215-S219 PolarHBondContact O-N 3.07Å; K215-W339 WeakPolarHBondContact CE-O 3.39Å; K215-W339 PolarHBondContact NZ-O 3.12Å; K215-D341 IonicContact NZ-OD1 3.38Å; K215-D341 PolarHBondContact NZ-OD1 2.82Å; K215-D341 IonicContact NZ-OD2 3.61Å
216L92.8Very high88.8Confident0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-61.6-49.3178-178.163.9000111Y212 Q213 S218 S219 V220 W300 L311 F313 C338Y212-L216 WeakPolarHBondContact O-CB 3.42Å; Y212-L216 PolarHBondContact O-N 2.97Å; Q213-L216 PolarHBondContact O-N 3.17Å; L216-S218 PolarHBondContact O-N 2.93Å; L216-S219 PolarHBondContact O-N 2.86Å; L216-V220 HydrophobicContact CD1-CG2 4.13Å; L216-V220 HydrophobicContact CG-CG2 4.43Å; L216-V220 WeakPolarHBondContact O-CB 3.32Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.46Å; L216-V220 PolarHBondContact O-N 3.14Å; L216-W300 HydrophobicContact CD2-CH2 4.23Å; L216-W300 HydrophobicContact CG-CH2 4.19Å; L216-L311 HydrophobicContact CD2-CB 4.09Å; L216-L311 HydrophobicContact CD2-CD2 3.76Å; L216-F313 HydrophobicContact CD2-CE1 4.37Å; L216-F313 HydrophobicContact CD2-CZ 4.26Å; L216-C338 HydrophobicContact CD1-CB 3.61Å
217K93.9Very high88.6Confident53 Ų5352.6 Ų52.623%0.2327%0.268CS..Hα-helixtrans-57.3-46.3176-77.5-174.5175.1-173.20112.1Q213 K214 V220 S221 W300Q213-K217 WeakPolarHBondContact O-CG 3.26Å; Q213-K217 PolarHBondContact O-N 3.13Å; K214-K217 PolarHBondContact O-N 3.33Å; K217-V220 PolarHBondContact O-N 3.21Å; K217-S221 VanDerWaalsContact O-CB 3.24Å; K217-S221 WeakPolarHBondContact O-CB 3.35Å; K217-S221 PolarHBondContact O-N 2.71Å; K217-W300 HydrophobicContact CG-CH2 3.56Å; K217-W300 HydrophobicContact CG-CZ2 4.04Å; K217-W300 HydrophobicContact CG-CZ3 3.85Å
218S91.8Very high87.7Confident82 Ų8249.1 Ų49.157%0.57325%0.253SS*.Hα-helixtrans-61.5-45.2177.8-176.10000111.9K214 K215 L216 S221 A222K214-S218 WeakPolarHBondContact O-CB 3.36Å; K214-S218 PolarHBondContact O-N 3.39Å; K215-S218 PolarHBondContact O-N 2.86Å; L216-S218 PolarHBondContact O-N 2.93Å; S218-S221 PolarHBondContact O-N 2.98Å; S218-A222 WeakPolarHBondContact O-CB 3.34Å; S218-A222 PolarHBondContact O-N 2.94Å
219S89.6Confident86.3Confident17 Ų1747.7 Ų47.712%0.11925%0.248CC..Hα-helixtrans-60.4-50.8176.8-175.90000112K215 L216 S221 A222 Q223K215-S219 WeakPolarHBondContact O-CB 3.46Å; K215-S219 PolarHBondContact O-N 3.07Å; L216-S219 PolarHBondContact O-N 2.86Å; S219-S221 VanDerWaalsContact C-N 3.34Å; S219-S221 PolarHBondContact O-N 3.43Å; S219-A222 PolarHBondContact O-N 3.32Å; S219-Q223 VanDerWaalsContact O-CG 3.3Å; S219-Q223 WeakPolarHBondContact O-CG 3.48Å; S219-Q223 PolarHBondContact O-N 3.33Å; S219-Q223 PolarHBondContact OG-NE2 3.28Å
220V90.8Very high84.2Confident1 Ų148.7 Ų48.71%0.00625%0.251CS..Hα-helixtrans-62.9-41.1179.3174.40000111.2L216 K217 Q223 S224 H297 W300 A301 P314L216-V220 HydrophobicContact CD1-CG2 4.13Å; L216-V220 HydrophobicContact CG-CG2 4.43Å; L216-V220 WeakPolarHBondContact O-CB 3.32Å; L216-V220 VanDerWaalsContact O-CG2 3.3Å; L216-V220 WeakPolarHBondContact O-CG2 3.46Å; L216-V220 PolarHBondContact O-N 3.14Å; K217-V220 PolarHBondContact O-N 3.21Å; V220-Q223 PolarHBondContact O-N 3.31Å; V220-S224 VanDerWaalsContact O-CB 3.24Å; V220-S224 WeakPolarHBondContact O-CB 3.39Å; V220-S224 PolarHBondContact O-N 2.9Å; V220-S224 PolarHBondContact O-OG 2.95Å; V220-H297 HydrophobicContact CG1-CB 3.75Å; V220-W300 HydrophobicContact CB-CE3 4.49Å; V220-W300 HydrophobicContact CB-CZ3 4.03Å; V220-W300 HydrophobicContact CG1-CE3 4.12Å; V220-W300 HydrophobicContact CG1-CZ3 4.14Å; V220-W300 HydrophobicContact CG2-CZ3 4.06Å; V220-A301 HydrophobicContact CB-CB 4.39Å; V220-A301 HydrophobicContact CG1-CB 4.19Å; V220-P314 HydrophobicContact CG2-CG 4.05Å
221S90.8Very high81.9Confident29 Ų2948.3 Ų48.320%0.20326%0.257CS..Hα-helixtrans-59.6-50.1175-175.10000111.5K217 S218 S219 Q223 S224 R225K217-S221 VanDerWaalsContact O-CB 3.24Å; K217-S221 WeakPolarHBondContact O-CB 3.35Å; K217-S221 PolarHBondContact O-N 2.71Å; S218-S221 PolarHBondContact O-N 2.98Å; S219-S221 VanDerWaalsContact C-N 3.34Å; S219-S221 PolarHBondContact O-N 3.43Å; S221-Q223 VanDerWaalsContact C-N 3.32Å; S221-Q223 PolarHBondContact O-N 2.94Å; S221-S224 PolarHBondContact O-N 3.38Å; S221-R225 VanDerWaalsContact O-CB 3.31Å; S221-R225 WeakPolarHBondContact O-CB 3.15Å; S221-R225 PolarHBondContact O-N 3.22Å
222A85.6Confident79.8Confident65 Ų6545.7 Ų45.754%0.53726%0.261SS..Hα-helixtrans-61.5-39.3179.900000112.4S218 S219S218-A222 WeakPolarHBondContact O-CB 3.34Å; S218-A222 PolarHBondContact O-N 2.94Å; S219-A222 PolarHBondContact O-N 3.32Å
223Q83.1Confident77.2Confident60 Ų6051.8 Ų51.828%0.2830%0.298SS..Hα-helixtrans-69.5-35.9177.9-69.9175.615.600112.6S219 V220 S221 K570S219-Q223 VanDerWaalsContact O-CG 3.3Å; S219-Q223 WeakPolarHBondContact O-CG 3.48Å; S219-Q223 PolarHBondContact O-N 3.33Å; S219-Q223 PolarHBondContact OG-NE2 3.28Å; V220-Q223 PolarHBondContact O-N 3.31Å; S221-Q223 VanDerWaalsContact C-N 3.32Å; S221-Q223 PolarHBondContact O-N 2.94Å; Q223-K570 PolarHBondContact O-NZ 3.33Å
224S88.9Confident75.2Confident4 Ų453 Ų533%0.02831%0.31CS..Hα-helixtrans-93.4-18.1-170.8-51.20000114.2V220 S221 F226 Q294 H297V220-S224 VanDerWaalsContact O-CB 3.24Å; V220-S224 WeakPolarHBondContact O-CB 3.39Å; V220-S224 PolarHBondContact O-N 2.9Å; V220-S224 PolarHBondContact O-OG 2.95Å; S221-S224 PolarHBondContact O-N 3.38Å; S224-F226 VanDerWaalsContact C-N 3.31Å; S224-F226 PolarHBondContact O-N 3.33Å; S224-Q294 PolarHBondContact O-NE2 2.99Å; S224-H297 VanDerWaalsContact OG-CB 3.24Å; S224-H297 WeakPolarHBondContact OG-CB 3.45Å
225R85.6Confident73.8Confident124 Ų12452 Ų5247%0.46831%0.307SS..SBendtrans-61.6-33.6-173.7-176174.2-176.5108.41.1114.4S221 L238 L298S221-R225 VanDerWaalsContact O-CB 3.31Å; S221-R225 WeakPolarHBondContact O-CB 3.15Å; S221-R225 PolarHBondContact O-N 3.22Å; R225-L238 PolarHBondContact O-N 3.27Å; R225-L298 HydrophobicContact CB-CD1 4.37Å
226F82.6Confident73Confident67 Ų6750.6 Ų50.629%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-122138-172.6-60.1-71.8000111.7S224 H235 P237 Q294S224-F226 VanDerWaalsContact C-N 3.31Å; S224-F226 PolarHBondContact O-N 3.33Å; F226-H235 HydrophobicContact CB-CB 4.22Å; F226-H235 HydrophobicContact CD1-CB 3.61Å; F226-H235 HydrophobicContact CE1-CB 4.06Å; F226-H235 HydrophobicContact CG-CB 3.93Å; F226-P237 HydrophobicContact CE1-CG 4.24Å; F226-Q294 PolarHBondContact O-NE2 3.43Å
227L77.8Confident72.8Confident36 Ų3652.6 Ų52.619%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-76.6132.4164-69.7172.6000108.9T229 M236 L238 T291L227-T229 PolarHBondContact O-N 3.15Å; L227-T229 VanDerWaalsContact O-N 3.16Å; L227-M236 PolarHBondContact N-O 3.3Å; L227-M236 VanDerWaalsContact N-O 3.09Å; L227-L238 HydrophobicContact CD1-CD1 3.91Å; L227-L238 HydrophobicContact CD2-CD1 3.95Å; L227-L238 HydrophobicContact CG-CD1 3.87Å; L227-T291 HydrophobicContact CD2-CG2 4.14Å
228S63.3Low72.5Confident56 Ų5650.1 Ų50.139%0.39230%0.304SS..EExtended strand (participates in β ladder)trans-66.1111.1168.9-52.10000107.4
229T55.2Low72.3Confident13 Ų1348.9 Ų48.98%0.0829%0.292CS..  trans-100.1159.3171.776.20000110.1L227 G231 G232 S234 M236L227-T229 PolarHBondContact O-N 3.15Å; L227-T229 VanDerWaalsContact O-N 3.16Å; T229-G231 PolarHBondContact O-N 3.03Å; T229-G232 PolarHBondContact O-N 3.23Å; T229-S234 WeakPolarHBondContact OG1-CB 3.14Å; T229-S234 PolarHBondContact OG1-O 3.37Å; T229-S234 PolarHBondContact OG1-OG 3.29Å; T229-M236 HydrophobicContact CG2-CB 4.11Å; T229-M236 HydrophobicContact CG2-CG 3.87Å; T229-M236 HydrophobicContact CG2-SD 3.72Å
230Y46.2Very low72.2Confident23 Ų2352.9 Ų52.99%0.0931%0.312CS..THydrogen-bonded Turntrans-56.3131.9-179.1-75.7-90.1000111.7W474 F505 G564 L583 L587Y230-W474 AromaticContact CD2-CH2 3.09Å; Y230-W474 HydrophobicContact CD2-CH2 3.09Å; Y230-W474 AromaticContact CD2-CZ2 3.56Å; Y230-W474 HydrophobicContact CD2-CZ2 3.56Å; Y230-W474 AromaticContact CD2-CZ3 3.93Å; Y230-W474 HydrophobicContact CD2-CZ3 3.93Å; Y230-W474 HydrophobicContact CE2-CE3 4.38Å; Y230-W474 AromaticContact CE2-CH2 2.96Å; Y230-W474 HydrophobicContact CE2-CH2 2.96Å; Y230-W474 AromaticContact CE2-CZ2 3.82Å; Y230-W474 HydrophobicContact CE2-CZ2 3.82Å; Y230-W474 AromaticContact CE2-CZ3 3.27Å; Y230-W474 HydrophobicContact CE2-CZ3 3.27Å; Y230-W474 HydrophobicContact CG-CH2 4.4Å; Y230-F505 VanDerWaalsContact CB-CE1 3.43Å; Y230-F505 HydrophobicContact CD1-CD1 4.46Å; Y230-F505 HydrophobicContact CD1-CD2 4.37Å; Y230-F505 AromaticContact CD1-CE1 3.57Å; Y230-F505 HydrophobicContact CD1-CE1 3.57Å; Y230-F505 AromaticContact CD1-CE2 3.37Å; Y230-F505 HydrophobicContact CD1-CE2 3.37Å; Y230-F505 AromaticContact CD1-CZ 2.96Å; Y230-F505 HydrophobicContact CD1-CZ 2.96Å; Y230-F505 HydrophobicContact CD2-CE1 4.08Å; Y230-F505 HydrophobicContact CD2-CE2 4.31Å; Y230-F505 AromaticContact CD2-CZ 3.4Å; Y230-F505 HydrophobicContact CD2-CZ 3.4Å; Y230-F505 HydrophobicContact CE1-CD2 4.32Å; Y230-F505 HydrophobicContact CE1-CE1 4.28Å; Y230-F505 AromaticContact CE1-CE2 3.21Å; Y230-F505 HydrophobicContact CE1-CE2 3.21Å; Y230-F505 AromaticContact CE1-CZ 3.26Å; Y230-F505 HydrophobicContact CE1-CZ 3.26Å; Y230-F505 HydrophobicContact CE2-CE2 4.12Å; Y230-F505 AromaticContact CE2-CZ 3.6Å; Y230-F505 HydrophobicContact CE2-CZ 3.6Å; Y230-F505 AromaticContact CG-CE1 3.45Å; Y230-F505 HydrophobicContact CG-CE1 3.45Å; Y230-F505 VanDerWaalsContact CG-CE1 3.45Å; Y230-F505 AromaticContact CG-CE2 3.94Å; Y230-F505 HydrophobicContact CG-CE2 3.94Å; Y230-F505 AromaticContact CG-CZ 3.04Å; Y230-F505 HydrophobicContact CG-CZ 3.04Å; Y230-F505 AromaticContact CZ-CE2 3.6Å; Y230-F505 AromaticContact CZ-CZ 3.55Å; Y230-G564 WeakPolarHBondContact CD1-O 3.33Å; Y230-L583 HydrophobicContact CD1-CD2 4.01Å; Y230-L583 HydrophobicContact CD2-CD2 3.29Å; Y230-L583 HydrophobicContact CE1-CB 3.85Å; Y230-L583 HydrophobicContact CE1-CD2 3.64Å; Y230-L583 HydrophobicContact CE1-CG 4.3Å; Y230-L583 HydrophobicContact CE2-CD2 2.86Å; Y230-L583 HydrophobicContact CE2-CG 4.19Å; Y230-L583 HydrophobicContact CG-CD2 3.88Å; Y230-L583 WeakPolarHBondContact OH-CD2 3.45Å; Y230-L587 HydrophobicContact CE1-CD2 3.86Å; Y230-L587 VanDerWaalsContact OH-CD2 3.27Å; Y230-L587 WeakPolarHBondContact OH-CD2 3.41Å
231G41.4Very low72.1Confident38 Ų3853.5 Ų53.539%0.39232%0.315SS..THydrogen-bonded Turntrans95.8-1117800000115.7T229 T233T229-G231 PolarHBondContact O-N 3.03Å; G231-T233 PolarHBondContact O-N 3.43Å
232G45.8Very low72.2Confident54 Ų5452.8 Ų52.856%0.55731%0.308SS*.SBendtrans64.94.6-17800000114.5T229T229-G232 PolarHBondContact O-N 3.23Å
233T37.5Very low72.5Confident131 Ų13150.1 Ų50.180%0.80428%0.284SS*.SBendtrans-98.8-23-174.948.60000113.6G231G231-T233 PolarHBondContact O-N 3.43Å
234S51.5Low72.7Confident52 Ų5251.7 Ų51.736%0.36429%0.292SS..  trans-112.6126.1174.238.90000110.8T229T229-S234 WeakPolarHBondContact OG1-CB 3.14Å; T229-S234 PolarHBondContact OG1-O 3.37Å; T229-S234 PolarHBondContact OG1-OG 3.29Å
235H62.6Low72.6Confident117 Ų11752.1 Ų52.154%0.54229%0.294SS..EExtended strand (participates in β ladder)trans-108.3110.4171.1-70-58.4000107.8F226 P237F226-H235 HydrophobicContact CB-CB 4.22Å; F226-H235 HydrophobicContact CD1-CB 3.61Å; F226-H235 HydrophobicContact CE1-CB 4.06Å; F226-H235 HydrophobicContact CG-CB 3.93Å; H235-P237 WeakPolarHBondContact O-CD 3.47Å
236M76.9Confident72.4Confident41 Ų4148.7 Ų48.720%0.20228%0.284CS..EExtended strand (participates in β ladder)trans-87.3120172.4-74.9173.1173.100108.5L227 T229 L238 I241L227-M236 PolarHBondContact N-O 3.3Å; L227-M236 VanDerWaalsContact N-O 3.09Å; T229-M236 HydrophobicContact CG2-CB 4.11Å; T229-M236 HydrophobicContact CG2-CG 3.87Å; T229-M236 HydrophobicContact CG2-SD 3.72Å; M236-L238 PolarHBondContact O-N 2.95Å; M236-I241 HydrophobicContact CB-CD1 3.44Å; M236-I241 VanDerWaalsContact CB-CD1 3.44Å; M236-I241 HydrophobicContact CB-CG1 4.34Å; M236-I241 HydrophobicContact CE-CD1 4.24Å; M236-I241 HydrophobicContact CG-CD1 3.47Å; M236-I241 VanDerWaalsContact CG-CD1 3.47Å; M236-I241 HydrophobicContact SD-CD1 3.19Å; M236-I241 WeakPolarHBondContact SD-CD1 3.38Å
237P87.2Confident72.5Confident42 Ų4246.5 Ų46.527%0.27328%0.275SS..EExtended strand (participates in β ladder)trans-60.7129.9174.5-2133.7000109.9F226 H235 D239 D240 I241F226-P237 HydrophobicContact CE1-CG 4.24Å; H235-P237 WeakPolarHBondContact O-CD 3.47Å; P237-D239 PolarHBondContact O-N 3.05Å; P237-D240 HydrophobicContact CB-CB 4.38Å; P237-D240 WeakPolarHBondContact CB-OD2 3.21Å; P237-D240 VanDerWaalsContact CG-OD2 3.31Å; P237-D240 WeakPolarHBondContact CG-OD2 3.44Å; P237-D240 PolarHBondContact O-N 3.32Å; P237-D240 VanDerWaalsContact O-N 3.16Å; P237-I241 PolarHBondContact O-N 3.43Å
238L88.9Confident72.4Confident0 Ų046.2 Ų46.20%027%0.272CS..Hα-helixtrans-61.6-36.7-178.7179.961.1000111.3R225 L227 M236 D240 I241 Y242 T291 Q294 R295 L298R225-L238 PolarHBondContact O-N 3.27Å; L227-L238 HydrophobicContact CD1-CD1 3.91Å; L227-L238 HydrophobicContact CD2-CD1 3.95Å; L227-L238 HydrophobicContact CG-CD1 3.87Å; M236-L238 PolarHBondContact O-N 2.95Å; L238-D240 PolarHBondContact O-N 3.1Å; L238-I241 PolarHBondContact O-N 3.38Å; L238-Y242 HydrophobicContact CD1-CD2 4.12Å; L238-Y242 WeakPolarHBondContact O-CB 3.38Å; L238-Y242 PolarHBondContact O-N 3.05Å; L238-T291 HydrophobicContact CD1-CG2 3.86Å; L238-Q294 HydrophobicContact CD2-CB 4.26Å; L238-Q294 HydrophobicContact CD2-CG 3.86Å; L238-R295 HydrophobicContact CD2-CB 4.34Å; L238-L298 HydrophobicContact CB-CD2 4.08Å; L238-L298 HydrophobicContact CD2-CD2 4.1Å; L238-L298 HydrophobicContact CG-CD2 4.37Å
239D87.9Confident73.1Confident57 Ų5744.5 Ų44.531%0.30526%0.258SS..Hα-helixtrans-56.9-35.9177-88.5-51.6000112.8P237 R295 Q302P237-D239 PolarHBondContact O-N 3.05Å; D239-R295 IonicContact OD1-CZ 3.82Å; D239-R295 IonicContact OD1-NH1 3.68Å; D239-R295 PolarHBondContact OD1-NH1 3.49Å; D239-R295 IonicContact OD1-NH2 3.39Å; D239-R295 PolarHBondContact OD1-NH2 2.81Å; D239-Q302 PolarHBondContact OD2-NE2 3.17Å; D239-Q302 VanDerWaalsContact OD2-NE2 3.16Å
240D87.6Confident73.5Confident101 Ų10146.9 Ų46.954%0.5427%0.274SS..Hα-helixtrans-80.7-32.6-173.5-61.7-18000112P237 L238 K442P237-D240 HydrophobicContact CB-CB 4.38Å; P237-D240 WeakPolarHBondContact CB-OD2 3.21Å; P237-D240 VanDerWaalsContact CG-OD2 3.31Å; P237-D240 WeakPolarHBondContact CG-OD2 3.44Å; P237-D240 PolarHBondContact O-N 3.32Å; P237-D240 VanDerWaalsContact O-N 3.16Å; L238-D240 PolarHBondContact O-N 3.1Å; D240-K442 WeakPolarHBondContact O-CD 3.39Å
241I88.3Confident73.9Confident14 Ų1448.2 Ų48.27%0.07229%0.287CS..Hα-helixtrans-103.3-25.4-173.1-58.1-162.7000112.9M236 P237 L238 T243 F439M236-I241 HydrophobicContact CB-CD1 3.44Å; M236-I241 VanDerWaalsContact CB-CD1 3.44Å; M236-I241 HydrophobicContact CB-CG1 4.34Å; M236-I241 HydrophobicContact CE-CD1 4.24Å; M236-I241 HydrophobicContact CG-CD1 3.47Å; M236-I241 VanDerWaalsContact CG-CD1 3.47Å; M236-I241 HydrophobicContact SD-CD1 3.19Å; M236-I241 WeakPolarHBondContact SD-CD1 3.38Å; P237-I241 PolarHBondContact O-N 3.43Å; L238-I241 PolarHBondContact O-N 3.38Å; I241-T243 PolarHBondContact O-N 2.81Å; I241-T243 PolarHBondContact O-OG1 3.3Å; I241-T243 VanDerWaalsContact O-OG1 3.06Å; I241-F439 HydrophobicContact CG2-CD2 4.25Å; I241-F439 HydrophobicContact CG2-CE2 3.71Å; I241-F439 HydrophobicContact CG2-CZ 4.49Å
242Y91.8Very high74.1Confident14 Ų1452.9 Ų52.96%0.05530%0.303CS..  trans-55129.1-176.1-176.6-93.1000110.7L238 E244 T291 R295 K442L238-Y242 HydrophobicContact CD1-CD2 4.12Å; L238-Y242 WeakPolarHBondContact O-CB 3.38Å; L238-Y242 PolarHBondContact O-N 3.05Å; Y242-E244 WeakPolarHBondContact CE1-OE1 3.12Å; Y242-E244 PolarHBondContact OH-OE2 3.16Å; Y242-T291 HydrophobicContact CD2-CG2 4.14Å; Y242-T291 HydrophobicContact CE2-CG2 4.45Å; Y242-R295 HydrophobicContact CD1-CG 4.06Å; Y242-R295 HydrophobicContact CD2-CB 3.84Å; Y242-R295 HydrophobicContact CD2-CG 3.95Å; Y242-R295 HydrophobicContact CE1-CG 3.84Å; Y242-R295 HydrophobicContact CE2-CB 3.55Å; Y242-R295 HydrophobicContact CE2-CG 3.73Å; Y242-R295 HydrophobicContact CG-CB 4.47Å; Y242-R295 HydrophobicContact CG-CG 4.12Å; Y242-K442 PolarHBondContact O-NZ 3.45Å
243T92.4Very high73.9Confident8 Ų853.1 Ų53.15%0.04930%0.296CS..  trans-130.3134.7-178.4-60.10000107.8I241 V245 F431 G435 C438 F439I241-T243 PolarHBondContact O-N 2.81Å; I241-T243 PolarHBondContact O-OG1 3.3Å; I241-T243 VanDerWaalsContact O-OG1 3.06Å; T243-V245 PolarHBondContact O-N 3.28Å; T243-F431 HydrophobicContact CG2-CD1 4.33Å; T243-F431 HydrophobicContact CG2-CE1 4.11Å; T243-G435 WeakPolarHBondContact CG2-O 3.48Å; T243-C438 HydrophobicContact CG2-CB 4.01Å; T243-F439 HydrophobicContact CG2-CB 4.27Å
244E88.1Confident74Confident93 Ų9351.7 Ų51.744%0.43529%0.291SS..PPolyproline II helixtrans-61.8133.3-173-66.9-59.9158.900112Y242Y242-E244 WeakPolarHBondContact CE1-OE1 3.12Å; Y242-E244 PolarHBondContact OH-OE2 3.16Å
245V86.3Confident73.4Confident13 Ų1356.1 Ų56.18%0.07931%0.311CS..PPolyproline II helixtrans-93.8140.4177.61770000108.7T243 M247 L428 G430 F431T243-V245 PolarHBondContact O-N 3.28Å; V245-M247 PolarHBondContact O-N 3.25Å; V245-L428 HydrophobicContact CB-CD2 4.37Å; V245-L428 HydrophobicContact CG1-CB 4.33Å; V245-L428 HydrophobicContact CG1-CD2 3.89Å; V245-G430 WeakPolarHBondContact CG1-O 3.23Å; V245-F431 HydrophobicContact CG2-CD1 4.49Å; V245-F431 HydrophobicContact CG2-CE1 4.29Å
246Q82.1Confident72.7Confident53 Ų5352.2 Ų52.225%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-65.5122.5173.9-66.9-171.6-46.900110K429 G430 S432Q246-K429 HydrophobicContact CB-CB 4.18Å; Q246-K429 PolarHBondContact O-N 3.1Å; Q246-G430 PolarHBondContact N-O 2.87Å; Q246-S432 VanDerWaalsContact NE2-CB 3.27Å
247M83.1Confident71.3Confident21 Ų2154.8 Ų54.810%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-112.7139.2178.2-72.4177.3-77.800110V245 M260 I265 I426 H427 L428V245-M247 PolarHBondContact O-N 3.25Å; M247-M260 HydrophobicContact CB-CE 4.25Å; M247-I265 HydrophobicContact CE-CD1 4.46Å; M247-I265 HydrophobicContact SD-CD1 3.97Å; M247-I426 HydrophobicContact CB-CG2 4.09Å; M247-I426 HydrophobicContact CG-CG2 4.22Å; M247-H427 CarbonylContact C-O 3.58Å; M247-H427 WeakPolarHBondContact CA-O 3.41Å; M247-L428 HydrophobicContact CG-CD2 3.52Å; M247-L428 HydrophobicContact SD-CD2 4.19Å
248E77.4Confident69.4Low30 Ų3060.9 Ų60.914%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-130.8133.8178-68-179.2-179.100111.1Y257 H427 K429E248-Y257 VanDerWaalsContact CD-OH 3.32Å; E248-Y257 HydrophobicContact CG-CE1 3.78Å; E248-Y257 WeakPolarHBondContact CG-OH 3.42Å; E248-Y257 PolarHBondContact OE1-OH 2.77Å; E248-H427 HydrophobicContact CB-CB 4.33Å; E248-H427 PolarHBondContact N-O 3.06Å; E248-H427 PolarHBondContact O-N 3.49Å; E248-K429 HydrophobicContact CG-CG 4.2Å; E248-K429 WeakPolarHBondContact OE2-CE 3.38Å
249L77.1Confident67.8Low19 Ų1965.4 Ų65.410%0.09936%0.356CS..  trans-85141168.6-70.9168.6000109.9S251 M260 V269 K424 I426L249-S251 PolarHBondContact O-N 2.92Å; L249-M260 HydrophobicContact CD1-CE 4.28Å; L249-M260 HydrophobicContact CD1-SD 3.84Å; L249-M260 HydrophobicContact CD2-CE 4.11Å; L249-M260 HydrophobicContact CD2-SD 4.41Å; L249-M260 HydrophobicContact CG-CE 3.87Å; L249-M260 HydrophobicContact CG-SD 4.11Å; L249-V269 HydrophobicContact CD1-CG1 4.35Å; L249-K424 HydrophobicContact CD2-CD 4.05Å; L249-K424 HydrophobicContact CD2-CG 4.2Å; L249-I426 HydrophobicContact CD2-CG1 3.98Å
250P63.5Low66.7Low63 Ų6363.8 Ų63.841%0.40935%0.347SS..SBendtrans-63.1-17.1178.5-17.424.1000114.8E425P250-E425 WeakPolarHBondContact CD-O 3.25Å; P250-E425 HydrophobicContact CG-CB 3.9Å; P250-E425 HydrophobicContact CG-CG 4.07Å; P250-E425 WeakPolarHBondContact CG-O 3.41Å
251S55.7Low66.1Low51 Ų5161 Ų6136%0.35734%0.336SS..SBendtrans-93.2143-172.851.40000114.2L249 S253 N256L249-S251 PolarHBondContact O-N 2.92Å; S251-S253 PolarHBondContact O-N 2.95Å; S251-N256 PolarHBondContact O-ND2 3.26Å
252N44.8Very low65.6Low136 Ų13661.3 Ų61.373%0.72734%0.336SS*.  trans-74.234.3-174.4-69.3-34.9000115.2
253S41.3Very low65Low59 Ų5964.5 Ų64.541%0.41335%0.352SS..  trans-76.8129.9172.439.80000110.3S251 D255 N256S251-S253 PolarHBondContact O-N 2.95Å; S253-D255 PolarHBondContact O-N 3.23Å; S253-N256 PolarHBondContact O-N 3.03Å; S253-N256 PolarHBondContact O-ND2 3.18Å; S253-N256 PolarHBondContact O-OD1 2.65Å; S253-N256 PolarHBondContact OG-OD1 2.84Å
254S40.1Very low64.3Low101 Ų10167.6 Ų67.671%0.70637%0.366SS*.THydrogen-bonded Turntrans-622-179.643.70000115.6
255D39.3Very low63.9Low146 Ų14663.2 Ų63.278%0.78135%0.345SS*.THydrogen-bonded Turntrans-108.828.8-178.8-74.9-28.4000113.4S253 Y257S253-D255 PolarHBondContact O-N 3.23Å; D255-Y257 VanDerWaalsContact C-N 3.31Å; D255-Y257 PolarHBondContact O-N 3.26Å
256N46.3Very low63.6Low35 Ų3563.4 Ų63.419%0.18735%0.346CS..THydrogen-bonded Turntrans-74.27.2-163.7-86.4-3.3000118.1S251 S253S251-N256 PolarHBondContact O-ND2 3.26Å; S253-N256 PolarHBondContact O-N 3.03Å; S253-N256 PolarHBondContact O-ND2 3.18Å; S253-N256 PolarHBondContact O-OD1 2.65Å; S253-N256 PolarHBondContact OG-OD1 2.84Å
257Y49.3Very low63.5Low94 Ų9461.9 Ų61.937%0.36934%0.344SS..THydrogen-bonded Turntrans-146.355.4-175-61.3-79.1000115.4E248 D255 R833E248-Y257 VanDerWaalsContact CD-OH 3.32Å; E248-Y257 HydrophobicContact CG-CE1 3.78Å; E248-Y257 WeakPolarHBondContact CG-OH 3.42Å; E248-Y257 PolarHBondContact OE1-OH 2.77Å; D255-Y257 VanDerWaalsContact C-N 3.31Å; D255-Y257 PolarHBondContact O-N 3.26Å; Y257-R833 VanDerWaalsContact CD2-NH2 3.3Å
258K47.5Very low63.1Low171 Ų17166.1 Ų66.174%0.74337%0.373SS*.SBendtrans-82.3145.1142.6-86.8178.9175.4175.90108.5M260K258-M260 PolarHBondContact O-N 3.33Å
259S54.7Low63.2Low94 Ų9468.5 Ų68.566%0.65739%0.389SS*.  trans-54.1104.5163.4177.80000106.8S261S259-S261 PolarHBondContact O-N 3.41Å
260M65.1Low63.1Low23 Ų2368.5 Ų68.511%0.11339%0.394CS..  trans-67.1128.4-178.5-76.8-167.4-6700108.8M247 L249 K258 E264 I265 I426M247-M260 HydrophobicContact CB-CE 4.25Å; L249-M260 HydrophobicContact CD1-CE 4.28Å; L249-M260 HydrophobicContact CD1-SD 3.84Å; L249-M260 HydrophobicContact CD2-CE 4.11Å; L249-M260 HydrophobicContact CD2-SD 4.41Å; L249-M260 HydrophobicContact CG-CE 3.87Å; L249-M260 HydrophobicContact CG-SD 4.11Å; K258-M260 PolarHBondContact O-N 3.33Å; M260-E264 VanDerWaalsContact CA-OE2 3.25Å; M260-E264 WeakPolarHBondContact CA-OE2 3.3Å; M260-E264 HydrophobicContact CB-CB 4.31Å; M260-E264 HydrophobicContact CG-CB 4.49Å; M260-I265 HydrophobicContact CB-CG1 4.25Å; M260-I426 HydrophobicContact CE-CG2 4.33Å
261S74.4Confident64Low44 Ų4467.1 Ų67.131%0.30838%0.384SS..  trans-71.2161.4170.988.40000109.9S259 E263 E264 I265S259-S261 PolarHBondContact O-N 3.41Å; S261-E263 WeakPolarHBondContact CB-OE2 3.36Å; S261-E263 PolarHBondContact O-N 2.75Å; S261-E263 WeakPolarHBondContact OG-CB 3.22Å; S261-E263 PolarHBondContact OG-N 2.92Å; S261-E263 PolarHBondContact OG-OE2 2.92Å; S261-E264 PolarHBondContact N-OE2 2.99Å; S261-E264 PolarHBondContact O-N 3.36Å; S261-E264 VanDerWaalsContact O-N 3.07Å; S261-E264 PolarHBondContact OG-N 3.08Å; S261-I265 WeakPolarHBondContact O-CD1 3.2Å; S261-I265 WeakPolarHBondContact O-CG1 3.45Å; S261-I265 PolarHBondContact O-N 3.14Å
262F78.3Confident65.3Low19 Ų1969.7 Ų69.78%0.08340%0.398CS..Hα-helixtrans-61.3-27.5175.5-74.1-74.2000112.1I265 I266 W292 R295 L296 L299 L306F262-I265 HydrophobicContact CD1-CD1 3.88Å; F262-I265 HydrophobicContact CE1-CD1 4.37Å; F262-I265 HydrophobicContact CG-CD1 4.42Å; F262-I265 WeakPolarHBondContact O-CB 3.47Å; F262-I266 PolarHBondContact O-N 2.87Å; F262-W292 HydrophobicContact CD1-CZ2 4.31Å; F262-W292 HydrophobicContact CE1-CD2 4.33Å; F262-W292 AromaticContact CE1-CE2 3.67Å; F262-W292 AromaticContact CE1-CZ2 3.97Å; F262-W292 HydrophobicContact CE1-CZ2 3.97Å; F262-W292 AromaticContact CE1-NE1 3.52Å; F262-W292 AromaticContact CZ-NE1 3.95Å; F262-R295 HydrophobicContact CE2-CG 4.02Å; F262-R295 HydrophobicContact CZ-CB 4.3Å; F262-R295 HydrophobicContact CZ-CG 3.88Å; F262-L296 HydrophobicContact CD1-CB 3.91Å; F262-L296 HydrophobicContact CD1-CD1 3.75Å; F262-L296 HydrophobicContact CD1-CG 3.86Å; F262-L296 HydrophobicContact CE1-CB 3.65Å; F262-L296 HydrophobicContact CE1-CD1 4.11Å; F262-L296 HydrophobicContact CE1-CG 4.13Å; F262-L296 HydrophobicContact CZ-CB 4.27Å; F262-L299 HydrophobicContact CD2-CD1 3.56Å; F262-L299 HydrophobicContact CE2-CD1 3.4Å; F262-L299 VanDerWaalsContact CE2-CD1 3.4Å; F262-L299 HydrophobicContact CZ-CD1 4.45Å; F262-L306 HydrophobicContact CB-CD2 4.37Å; F262-L306 HydrophobicContact CB-CG 4.34Å
263E78.1Confident67.2Low81 Ų8165.6 Ų65.638%0.37938%0.376SS..Hα-helixtrans-68.2-42.1172.9-59.969-14900111.4S261 I265 I266 G267 A305 L306S261-E263 WeakPolarHBondContact CB-OE2 3.36Å; S261-E263 PolarHBondContact O-N 2.75Å; S261-E263 WeakPolarHBondContact OG-CB 3.22Å; S261-E263 PolarHBondContact OG-N 2.92Å; S261-E263 PolarHBondContact OG-OE2 2.92Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.37Å; E263-I266 PolarHBondContact O-N 3.28Å; E263-G267 WeakPolarHBondContact O-CA 3.29Å; E263-G267 PolarHBondContact O-N 3.19Å; E263-A305 VanDerWaalsContact OE1-CA 3.27Å; E263-A305 WeakPolarHBondContact OE1-CA 3.35Å; E263-A305 VanDerWaalsContact OE1-CB 3.26Å; E263-A305 WeakPolarHBondContact OE1-CB 3.41Å; E263-L306 PolarHBondContact OE1-N 2.78Å
264E79.4Confident69.2Low74 Ų7469 Ų6935%0.34639%0.39SS..Hα-helixtrans-67.2-33.6176.4-68178169.500112.1M260 S261 I266 G267 K424M260-E264 VanDerWaalsContact CA-OE2 3.25Å; M260-E264 WeakPolarHBondContact CA-OE2 3.3Å; M260-E264 HydrophobicContact CB-CB 4.31Å; M260-E264 HydrophobicContact CG-CB 4.49Å; S261-E264 PolarHBondContact N-OE2 2.99Å; S261-E264 PolarHBondContact O-N 3.36Å; S261-E264 VanDerWaalsContact O-N 3.07Å; S261-E264 PolarHBondContact OG-N 3.08Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 2.9Å; E264-G267 PolarHBondContact O-N 3.29Å; E264-K424 PolarHBondContact O-NZ 3.43Å
265I79.3Confident71.2Confident1 Ų170.6 Ų70.61%0.00539%0.39CS..Hα-helixtrans-59.8-43.8175.5-74.4155.7000111.1M247 M260 S261 F262 E263 V279 W292 K424 I426M247-I265 HydrophobicContact CE-CD1 4.46Å; M247-I265 HydrophobicContact SD-CD1 3.97Å; M260-I265 HydrophobicContact CB-CG1 4.25Å; S261-I265 WeakPolarHBondContact O-CD1 3.2Å; S261-I265 WeakPolarHBondContact O-CG1 3.45Å; S261-I265 PolarHBondContact O-N 3.14Å; F262-I265 HydrophobicContact CD1-CD1 3.88Å; F262-I265 HydrophobicContact CE1-CD1 4.37Å; F262-I265 HydrophobicContact CG-CD1 4.42Å; F262-I265 WeakPolarHBondContact O-CB 3.47Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.37Å; I265-V279 HydrophobicContact CG2-CG1 4.37Å; I265-W292 HydrophobicContact CD1-CZ2 3.63Å; I265-W292 HydrophobicContact CG1-CZ2 4.41Å; I265-W292 HydrophobicContact CG2-CH2 4.15Å; I265-W292 HydrophobicContact CG2-CZ2 4.08Å; I265-K424 WeakPolarHBondContact O-CD 3.23Å; I265-K424 WeakPolarHBondContact O-CE 3.32Å; I265-K424 PolarHBondContact O-NZ 3.04Å; I265-I426 HydrophobicContact CB-CD1 4.13Å; I265-I426 HydrophobicContact CG1-CD1 3.99Å; I265-I426 HydrophobicContact CG2-CD1 3.57Å
266I80.1Confident73.6Confident17 Ų1764.1 Ų64.19%0.08736%0.357CS..Hα-helixtrans-87.7-21.1179.5-59.3-171.3000112.3F262 E263 E264 L306 F309 L359 R404 V406F262-I266 PolarHBondContact O-N 2.87Å; E263-I266 PolarHBondContact O-N 3.28Å; E264-I266 VanDerWaalsContact C-N 3.33Å; E264-I266 PolarHBondContact O-N 2.9Å; I266-L306 HydrophobicContact CD1-CD1 3.74Å; I266-L306 HydrophobicContact CD1-CD2 3.61Å; I266-L306 HydrophobicContact CD1-CG 4.32Å; I266-L306 HydrophobicContact CG1-CD2 4.25Å; I266-F309 HydrophobicContact CD1-CE2 4Å; I266-F309 HydrophobicContact CG2-CE2 4.05Å; I266-F309 HydrophobicContact CG2-CZ 3.94Å; I266-L359 HydrophobicContact CD1-CD1 4.36Å; I266-L359 HydrophobicContact CD1-CD2 4.16Å; I266-R404 HydrophobicContact CG2-CG 3.73Å; I266-V406 HydrophobicContact CD1-CG2 4.31Å
267G78.8Confident75.8Confident20 Ų2063.5 Ų63.521%0.20635%0.353CS..SBendtrans-74-169.4-178.400000115E263 E264 V269 K424E263-G267 WeakPolarHBondContact O-CA 3.29Å; E263-G267 PolarHBondContact O-N 3.19Å; E264-G267 PolarHBondContact O-N 3.29Å; G267-V269 PolarHBondContact O-N 3.28Å; G267-K424 WeakPolarHBondContact O-CE 3.38Å; G267-K424 PolarHBondContact O-NZ 3.38Å
268P76Confident78Confident110 Ų11059.1 Ų59.171%0.71434%0.336SS*.SBendtrans-79.1-11.9-170.731-36.1000114.8G270 T271P268-G270 PolarHBondContact O-N 3.48Å; P268-T271 WeakPolarHBondContact CA-OG1 3.48Å; P268-T271 WeakPolarHBondContact O-CB 3.44Å; P268-T271 PolarHBondContact O-N 3.25Å; P268-T271 PolarHBondContact O-OG1 3.34Å; P268-T271 VanDerWaalsContact O-OG1 3.06Å
269V78.8Confident80.2Confident80 Ų8051 Ų5149%0.48530%0.301SS..THydrogen-bonded Turntrans-69.6120.7-175.11790000110.5L249 G267 T271 K424L249-V269 HydrophobicContact CD1-CG1 4.35Å; G267-V269 PolarHBondContact O-N 3.28Å; V269-T271 VanDerWaalsContact C-N 3.32Å; V269-K424 WeakPolarHBondContact O-CE 3.36Å; V269-K424 PolarHBondContact O-NZ 3.25Å
270G74.1Confident82.2Confident19 Ų1946.5 Ų46.520%0.19627%0.27CS..THydrogen-bonded Turntrans7815-179.200000114.3P268P268-G270 PolarHBondContact O-N 3.48Å
271T82.8Confident83.6Confident34 Ų3445.4 Ų45.421%0.20926%0.264CS..  trans-63.8133.1175.5-64.70000111.4P268 V269 D274 H423P268-T271 WeakPolarHBondContact CA-OG1 3.48Å; P268-T271 WeakPolarHBondContact O-CB 3.44Å; P268-T271 PolarHBondContact O-N 3.25Å; P268-T271 PolarHBondContact O-OG1 3.34Å; P268-T271 VanDerWaalsContact O-OG1 3.06Å; V269-T271 VanDerWaalsContact C-N 3.32Å; T271-D274 WeakPolarHBondContact CG2-OD1 3.39Å; T271-H423 WeakPolarHBondContact CG2-CE1 3.45Å; T271-H423 PolarHBondContact OG1-NE2 3.05Å
272V82.8Confident84.4Confident106 Ų10643.3 Ų43.364%0.64225%0.25SC*.SBendtrans-101.5-33.5-179.6-177.30000110.9H423V272-H423 PolarHBondContact N-O 3.13Å
273N84.1Confident84.9Confident50 Ų5042.7 Ų42.727%0.26725%0.249SC..  trans-144.9106.6179.9-177.7-3.2000110.7D275 A276 K420 L422 H423N273-D275 PolarHBondContact O-N 3.3Å; N273-D275 WeakPolarHBondContact OD1-CB 3.45Å; N273-D275 PolarHBondContact OD1-N 2.74Å; N273-A276 HydrophobicContact CB-CB 4.1Å; N273-A276 PolarHBondContact O-N 3.16Å; N273-K420 PolarHBondContact ND2-O 3.29Å; N273-L422 WeakPolarHBondContact CB-O 3.35Å; N273-H423 PolarHBondContact N-O 3.49Å; N273-H423 WeakPolarHBondContact O-CA 3.25Å; N273-H423 PolarHBondContact O-ND1 3.14Å
274D83.8Confident85.3Confident131 Ų13141.7 Ų41.770%0.70124%0.244SC*.THydrogen-bonded Turntrans-65.6-25.2-179.5-65.5-55.5000113.4T271 A276T271-D274 WeakPolarHBondContact CG2-OD1 3.39Å; D274-A276 VanDerWaalsContact C-N 3.31Å; D274-A276 PolarHBondContact O-N 2.94Å
275D83.4Confident85.7Confident134 Ų13439.1 Ų39.172%0.71724%0.236SC*.THydrogen-bonded Turntrans-80.7-12.2-179.3-68.3-38.7000113.6N273N273-D275 PolarHBondContact O-N 3.3Å; N273-D275 WeakPolarHBondContact OD1-CB 3.45Å; N273-D275 PolarHBondContact OD1-N 2.74Å
276A89.3Confident86.1Confident10 Ų1039.4 Ų39.48%0.08324%0.238CC..  trans-94.7152.1179.800000112N273 D274 H421 H423N273-A276 HydrophobicContact CB-CB 4.1Å; N273-A276 PolarHBondContact O-N 3.16Å; D274-A276 VanDerWaalsContact C-N 3.31Å; D274-A276 PolarHBondContact O-N 2.94Å; A276-H421 WeakPolarHBondContact CB-O 3.44Å; A276-H423 HydrophobicContact CB-CB 4.21Å; A276-H423 VanDerWaalsContact O-CB 3.29Å; A276-H423 WeakPolarHBondContact O-CB 3.22Å; A276-H423 VanDerWaalsContact O-CG 3.32Å; A276-H423 PolarHBondContact O-ND1 2.91Å
277D91.6Very high86.5Confident21 Ų2138.9 Ų38.911%0.11224%0.236CC..  trans-107.2-4-178.8-59.1-49.9000113.6G402 V403 R404 K405D277-G402 PolarHBondContact OD2-N 3.19Å; D277-V403 VanDerWaalsContact CB-O 3.24Å; D277-V403 WeakPolarHBondContact CB-O 3.42Å; D277-R404 WeakPolarHBondContact O-CD 3.22Å; D277-K405 HydrophobicContact CB-CD 4.03Å; D277-K405 PolarHBondContact O-N 3.36Å; D277-K405 IonicContact OD2-NZ 3.9Å
278T94.9Very high87.1Confident2 Ų238.5 Ų38.51%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-101.9118.4-168.6-58.30000112.5I395 K405 V407 L422 H423T278-I395 HydrophobicContact CG2-CG2 4.24Å; T278-I395 PolarHBondContact OG1-O 2.91Å; T278-K405 HydrophobicContact CG2-CB 4.3Å; T278-V407 HydrophobicContact CG2-CB 4.44Å; T278-V407 HydrophobicContact CG2-CG2 3.69Å; T278-L422 HydrophobicContact CG2-CD2 3.91Å; T278-L422 CarbonylContact O-C 3.56Å; T278-L422 WeakPolarHBondContact O-CA 3.43Å; T278-H423 WeakPolarHBondContact O-CB 3.4Å; T278-H423 PolarHBondContact O-N 3.24Å
279V95.3Very high87.9Confident0 Ų034.3 Ų34.30%020%0.203CC..EExtended strand (participates in β ladder)trans-93.9126.6168.6-178.90000108.9I265 K405 V406 V407 K424 I426I265-V279 HydrophobicContact CG2-CG1 4.37Å; V279-K405 PolarHBondContact N-O 3.36Å; V279-V406 HydrophobicContact CB-CG2 4.36Å; V279-V406 CarbonylContact O-C 3.53Å; V279-V406 WeakPolarHBondContact O-CA 3.4Å; V279-V407 PolarHBondContact O-N 2.77Å; V279-K424 WeakPolarHBondContact CA-O 3.34Å; V279-K424 HydrophobicContact CG1-CB 4.36Å; V279-K424 HydrophobicContact CG2-CB 4.36Å; V279-I426 HydrophobicContact CG1-CD1 3.98Å
280L95.3Very high88.5Confident0 Ų033.3 Ų33.30%020%0.2CC..EExtended strand (participates in β ladder)trans-104.3124.6176.2177.570.4000110.6V407 V414 L422 K424 E425 I426L280-V407 CarbonylContact C-O 3.59Å; L280-V407 WeakPolarHBondContact CA-O 3.25Å; L280-V407 HydrophobicContact CD1-CB 4.32Å; L280-V407 HydrophobicContact CD1-CG1 4.27Å; L280-V414 HydrophobicContact CD1-CG2 4.33Å; L280-V414 HydrophobicContact CD2-CB 4.24Å; L280-V414 HydrophobicContact CD2-CG1 3.48Å; L280-V414 VanDerWaalsContact CD2-CG1 3.48Å; L280-V414 HydrophobicContact CD2-CG2 3.7Å; L280-L422 HydrophobicContact CB-CD1 3.83Å; L280-L422 HydrophobicContact CB-CD2 3.82Å; L280-L422 HydrophobicContact CB-CG 4.42Å; L280-L422 HydrophobicContact CD2-CD1 3.55Å; L280-L422 HydrophobicContact CG-CD1 4.35Å; L280-K424 PolarHBondContact N-O 2.8Å; L280-E425 HydrophobicContact CD2-CG 4.21Å; L280-E425 CarbonylContact O-C 3.21Å; L280-E425 WeakPolarHBondContact O-CA 3.4Å; L280-I426 PolarHBondContact O-N 3.4Å
281A94.6Very high89.4Confident0 Ų034.7 Ų34.70%021%0.205CC..EExtended strand (participates in β ladder)trans-102.3104.2167.500000109.6W292 V407 T408 S409 I426 L428A281-W292 HydrophobicContact CB-CE3 4.32Å; A281-W292 HydrophobicContact CB-CH2 4.12Å; A281-W292 HydrophobicContact CB-CZ3 3.75Å; A281-V407 PolarHBondContact N-O 2.86Å; A281-T408 HydrophobicContact CB-CG2 4.34Å; A281-T408 VanDerWaalsContact O-CA 3.3Å; A281-T408 WeakPolarHBondContact O-CA 3.47Å; A281-S409 PolarHBondContact O-N 3.33Å; A281-S409 VanDerWaalsContact O-N 3.13Å; A281-I426 CarbonylContact C-O 3.58Å; A281-I426 WeakPolarHBondContact CA-O 3.29Å; A281-L428 HydrophobicContact CB-CD1 4.09Å
282S91.9Very high90Very high0 Ų033.1 Ų33.10%020%0.195CC..EExtended strand (participates in β ladder)trans-100.9146.5-177.561.40000112.2S409 I426 H427 L428S282-S409 VanDerWaalsContact CA-O 3.26Å; S282-S409 WeakPolarHBondContact CA-O 3.34Å; S282-I426 PolarHBondContact N-O 3.01Å; S282-I426 PolarHBondContact OG-O 3.24Å; S282-H427 CarbonylContact O-C 3.57Å; S282-H427 WeakPolarHBondContact O-CA 3.49Å; S282-H427 PolarHBondContact OG-CD2 3.31Å; S282-H427 PolarHBondContact OG-NE2 2.96Å; S282-L428 PolarHBondContact O-N 3.34Å
283G89.2Confident90.5Very high6 Ų628.2 Ų28.26%0.06217%0.165CC..  trans176.4161.6177.600000113.5K289 S409G283-K289 WeakPolarHBondContact O-CE 3.43Å; G283-K289 PolarHBondContact O-NZ 3.34Å; G283-S409 PolarHBondContact N-O 3.12Å; G283-S409 VanDerWaalsContact N-O 3.16Å
284E86.4Confident90.9Very high61 Ų6127.6 Ų27.629%0.28516%0.161SC..  trans-63165-177.1-69.8-60.3148.200113.6G286 S287 K289 N752E284-G286 PolarHBondContact O-N 3.2Å; E284-S287 WeakPolarHBondContact O-CB 3.36Å; E284-S287 PolarHBondContact O-N 2.87Å; E284-S287 VanDerWaalsContact O-N 3.16Å; E284-S287 PolarHBondContact O-OG 2.8Å; E284-S287 VanDerWaalsContact O-OG 3.07Å; E284-K289 PolarHBondContact O-NZ 3.21Å; E284-N752 WeakPolarHBondContact CG-ND2 3.44Å; E284-N752 PolarHBondContact OE1-ND2 3.25Å
285A88Confident91.4Very high20 Ų2023.1 Ų23.117%0.16513%0.134CC..THydrogen-bonded Turntrans-59.3126.3171.500000110I585 T586 I653A285-I585 HydrophobicContact CB-CG2 4.48Å; A285-T586 HydrophobicContact CB-CG2 3.92Å; A285-I653 HydrophobicContact CB-CD1 4.15Å
286G87.2Confident91.9Very high6 Ų616.7 Ų16.76%0.06210%0.1CC..THydrogen-bonded Turntrans84.52-178.400000116.1E284 G288 S469 P470 V471 H584E284-G286 PolarHBondContact O-N 3.2Å; G286-G288 PolarHBondContact O-N 3.18Å; G286-G288 VanDerWaalsContact O-N 3.15Å; G286-S469 PolarHBondContact O-OG 3.11Å; G286-P470 VanDerWaalsContact O-CD 3.3Å; G286-P470 WeakPolarHBondContact O-CD 3.46Å; G286-V471 PolarHBondContact O-N 3.49Å; G286-H584 PolarHBondContact N-CE1 3.13Å
287S88.6Confident92.2Very high6 Ų617 Ų174%0.04210%0.099CC..SBendtrans-70-4.2179.272.50000115.2E284 K289E284-S287 WeakPolarHBondContact O-CB 3.36Å; E284-S287 PolarHBondContact O-N 2.87Å; E284-S287 VanDerWaalsContact O-N 3.16Å; E284-S287 PolarHBondContact O-OG 2.8Å; E284-S287 VanDerWaalsContact O-OG 3.07Å; S287-K289 WeakPolarHBondContact OG-CG 3.18Å
288G90.8Very high92.3Very high13 Ų1316 Ų1613%0.1349%0.094CC..SBendtrans95.713.1178.400000115.8G286 S290 T291 W292G286-G288 PolarHBondContact O-N 3.18Å; G286-G288 VanDerWaalsContact O-N 3.15Å; G288-S290 PolarHBondContact O-N 3.17Å; G288-T291 PolarHBondContact O-N 3.03Å; G288-W292 WeakPolarHBondContact O-CB 3.44Å; G288-W292 PolarHBondContact O-N 3.44Å
289K93.1Very high92.3Very high21 Ų2116.8 Ų16.89%0.09110%0.098CC..Hα-helixtrans-51.1-53.9-179-56.3-171.2-67.7-73.70113.8G283 E284 S287 T291 W292 L293 T408 S409 L428G283-K289 WeakPolarHBondContact O-CE 3.43Å; G283-K289 PolarHBondContact O-NZ 3.34Å; E284-K289 PolarHBondContact O-NZ 3.21Å; S287-K289 WeakPolarHBondContact OG-CG 3.18Å; K289-T291 PolarHBondContact O-N 2.99Å; K289-W292 WeakPolarHBondContact O-CB 3.28Å; K289-W292 PolarHBondContact O-N 3.29Å; K289-L293 PolarHBondContact O-N 2.76Å; K289-T408 HydrophobicContact CB-CG2 4.29Å; K289-S409 WeakPolarHBondContact CD-O 3.48Å; K289-L428 HydrophobicContact CB-CD1 4.23Å; K289-L428 HydrophobicContact CG-CD1 3.88Å
290S92.3Very high92.3Very high60 Ų6016.8 Ų16.842%0.4210%0.098SC..Hα-helixtrans-63.3-41.2179.8-54.90000112G288 W292 L293 Q294 D363G288-S290 PolarHBondContact O-N 3.17Å; S290-W292 PolarHBondContact O-N 2.8Å; S290-L293 PolarHBondContact O-N 2.92Å; S290-Q294 VanDerWaalsContact O-CB 3.28Å; S290-Q294 WeakPolarHBondContact O-CB 3.44Å; S290-Q294 PolarHBondContact O-N 3.16Å; S290-D363 WeakPolarHBondContact CB-OD2 3.5Å; S290-D363 PolarHBondContact OG-OD1 3.21Å; S290-D363 PolarHBondContact OG-OD2 2.94Å
291T92.9Very high92.2Very high48 Ų4817.5 Ų17.529%0.29410%0.104SC..Hα-helixtrans-66.1-37.5177.2-53.40000112.2L227 L238 Y242 G288 K289 Q294 R295L227-T291 HydrophobicContact CD2-CG2 4.14Å; L238-T291 HydrophobicContact CD1-CG2 3.86Å; Y242-T291 HydrophobicContact CD2-CG2 4.14Å; Y242-T291 HydrophobicContact CE2-CG2 4.45Å; G288-T291 PolarHBondContact O-N 3.03Å; K289-T291 PolarHBondContact O-N 2.99Å; T291-Q294 PolarHBondContact O-N 3.23Å; T291-R295 WeakPolarHBondContact O-CB 3.33Å; T291-R295 PolarHBondContact O-N 3.46Å
292W93.9Very high92.1Very high1 Ų120.3 Ų20.30%0.00412%0.117CC..Hα-helixtrans-65.6-42.7174.1174.287.2000111.6F262 I265 A281 G288 K289 S290 R295 L296 V406 L428F262-W292 HydrophobicContact CD1-CZ2 4.31Å; F262-W292 HydrophobicContact CE1-CD2 4.33Å; F262-W292 AromaticContact CE1-CE2 3.67Å; F262-W292 AromaticContact CE1-CZ2 3.97Å; F262-W292 HydrophobicContact CE1-CZ2 3.97Å; F262-W292 AromaticContact CE1-NE1 3.52Å; F262-W292 AromaticContact CZ-NE1 3.95Å; I265-W292 HydrophobicContact CD1-CZ2 3.63Å; I265-W292 HydrophobicContact CG1-CZ2 4.41Å; I265-W292 HydrophobicContact CG2-CH2 4.15Å; I265-W292 HydrophobicContact CG2-CZ2 4.08Å; A281-W292 HydrophobicContact CB-CE3 4.32Å; A281-W292 HydrophobicContact CB-CH2 4.12Å; A281-W292 HydrophobicContact CB-CZ3 3.75Å; G288-W292 WeakPolarHBondContact O-CB 3.44Å; G288-W292 PolarHBondContact O-N 3.44Å; K289-W292 WeakPolarHBondContact O-CB 3.28Å; K289-W292 PolarHBondContact O-N 3.29Å; S290-W292 PolarHBondContact O-N 2.8Å; W292-R295 WeakPolarHBondContact O-CB 3.36Å; W292-R295 PolarHBondContact O-N 3.24Å; W292-L296 HydrophobicContact CH2-CD1 4.46Å; W292-L296 PolarHBondContact O-N 2.78Å; W292-V406 HydrophobicContact CH2-CG1 4.01Å; W292-V406 HydrophobicContact CZ3-CG1 3.82Å; W292-L428 HydrophobicContact CB-CD1 4.46Å; W292-L428 HydrophobicContact CD2-CD1 4.32Å; W292-L428 HydrophobicContact CE3-CD1 4.38Å; W292-L428 HydrophobicContact CG-CD1 4.37Å; W292-L428 HydrophobicContact CG-CD2 4.31Å
293L93.9Very high92.1Very high2 Ų222.1 Ų22.11%0.0114%0.135CC..Hα-helixtrans-67-41176.1-161.570.4000111.7K289 S290 R295 L296 H297 T361 D363 V406 T408K289-L293 PolarHBondContact O-N 2.76Å; S290-L293 PolarHBondContact O-N 2.92Å; L293-R295 VanDerWaalsContact C-N 3.27Å; L293-R295 PolarHBondContact O-N 3.38Å; L293-L296 VanDerWaalsContact O-CB 3.31Å; L293-L296 WeakPolarHBondContact O-CB 3.36Å; L293-L296 PolarHBondContact O-N 2.87Å; L293-L296 VanDerWaalsContact O-N 3.17Å; L293-H297 PolarHBondContact O-CD2 3.28Å; L293-H297 PolarHBondContact O-N 2.79Å; L293-H297 PolarHBondContact O-ND1 3.04Å; L293-T361 HydrophobicContact CD1-CG2 4.15Å; L293-D363 HydrophobicContact CD2-CB 3.72Å; L293-V406 HydrophobicContact CD1-CB 4.33Å; L293-V406 HydrophobicContact CD1-CG1 3.66Å; L293-T408 HydrophobicContact CB-CG2 4.32Å; L293-T408 HydrophobicContact CD1-CG2 4.31Å; L293-T408 HydrophobicContact CD2-CG2 4.11Å; L293-T408 HydrophobicContact CG-CG2 4.49Å
294Q93.4Very high92.2Very high38 Ų3828.2 Ų28.218%0.17816%0.16CC..Hα-helixtrans-61.6-35.8173.2-170.3-178.7-800111.8S224 F226 L238 S290 T291 H297 L298S224-Q294 PolarHBondContact O-NE2 2.99Å; F226-Q294 PolarHBondContact O-NE2 3.43Å; L238-Q294 HydrophobicContact CD2-CB 4.26Å; L238-Q294 HydrophobicContact CD2-CG 3.86Å; S290-Q294 VanDerWaalsContact O-CB 3.28Å; S290-Q294 WeakPolarHBondContact O-CB 3.44Å; S290-Q294 PolarHBondContact O-N 3.16Å; T291-Q294 PolarHBondContact O-N 3.23Å; Q294-H297 WeakPolarHBondContact O-CB 3.33Å; Q294-H297 PolarHBondContact O-N 2.8Å; Q294-L298 WeakPolarHBondContact O-CB 3.31Å; Q294-L298 PolarHBondContact O-N 2.6Å
295R93.8Very high92.4Very high36 Ų3625.6 Ų25.614%0.13615%0.149CC..Hα-helixtrans-63.6-44.9173.3178.461.2174167.5-5.7111.4L238 D239 Y242 F262 T291 W292 L293 H297 L298 L299L238-R295 HydrophobicContact CD2-CB 4.34Å; D239-R295 IonicContact OD1-CZ 3.82Å; D239-R295 IonicContact OD1-NH1 3.68Å; D239-R295 PolarHBondContact OD1-NH1 3.49Å; D239-R295 IonicContact OD1-NH2 3.39Å; D239-R295 PolarHBondContact OD1-NH2 2.81Å; Y242-R295 HydrophobicContact CD1-CG 4.06Å; Y242-R295 HydrophobicContact CD2-CB 3.84Å; Y242-R295 HydrophobicContact CD2-CG 3.95Å; Y242-R295 HydrophobicContact CE1-CG 3.84Å; Y242-R295 HydrophobicContact CE2-CB 3.55Å; Y242-R295 HydrophobicContact CE2-CG 3.73Å; Y242-R295 HydrophobicContact CG-CB 4.47Å; Y242-R295 HydrophobicContact CG-CG 4.12Å; F262-R295 HydrophobicContact CE2-CG 4.02Å; F262-R295 HydrophobicContact CZ-CB 4.3Å; F262-R295 HydrophobicContact CZ-CG 3.88Å; T291-R295 WeakPolarHBondContact O-CB 3.33Å; T291-R295 PolarHBondContact O-N 3.46Å; W292-R295 WeakPolarHBondContact O-CB 3.36Å; W292-R295 PolarHBondContact O-N 3.24Å; L293-R295 VanDerWaalsContact C-N 3.27Å; L293-R295 PolarHBondContact O-N 3.38Å; R295-H297 VanDerWaalsContact C-N 3.33Å; R295-H297 PolarHBondContact O-N 3.35Å; R295-L298 PolarHBondContact O-N 3.46Å; R295-L299 HydrophobicContact CG-CD1 4.14Å; R295-L299 WeakPolarHBondContact O-CG 3.29Å; R295-L299 PolarHBondContact O-N 3.2Å
296L94.1Very high92.5Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-56.8-48174.8-174.6161.4000110.7F262 W292 L293 L298 L299 W300 L306 L312 L359F262-L296 HydrophobicContact CD1-CB 3.91Å; F262-L296 HydrophobicContact CD1-CD1 3.75Å; F262-L296 HydrophobicContact CD1-CG 3.86Å; F262-L296 HydrophobicContact CE1-CB 3.65Å; F262-L296 HydrophobicContact CE1-CD1 4.11Å; F262-L296 HydrophobicContact CE1-CG 4.13Å; F262-L296 HydrophobicContact CZ-CB 4.27Å; W292-L296 HydrophobicContact CH2-CD1 4.46Å; W292-L296 PolarHBondContact O-N 2.78Å; L293-L296 VanDerWaalsContact O-CB 3.31Å; L293-L296 WeakPolarHBondContact O-CB 3.36Å; L293-L296 PolarHBondContact O-N 2.87Å; L293-L296 VanDerWaalsContact O-N 3.17Å; L296-L298 PolarHBondContact O-N 3.32Å; L296-L299 PolarHBondContact O-N 3.35Å; L296-W300 PolarHBondContact O-N 3.12Å; L296-L306 HydrophobicContact CD1-CD1 4.05Å; L296-L306 HydrophobicContact CD2-CD1 3.56Å; L296-L306 HydrophobicContact CG-CD1 3.67Å; L296-L312 HydrophobicContact CD2-CD1 3.86Å; L296-L359 HydrophobicContact CD2-CD2 4.13Å
297H94.8Very high92.6Very high15 Ų1528.8 Ų28.87%0.06916%0.159CC..Hα-helixtrans-58.1-46.8177.6-60.8160.4000112.5V220 S224 L293 Q294 R295 W300 A301 T361V220-H297 HydrophobicContact CG1-CB 3.75Å; S224-H297 VanDerWaalsContact OG-CB 3.24Å; S224-H297 WeakPolarHBondContact OG-CB 3.45Å; L293-H297 PolarHBondContact O-CD2 3.28Å; L293-H297 PolarHBondContact O-N 2.79Å; L293-H297 PolarHBondContact O-ND1 3.04Å; Q294-H297 WeakPolarHBondContact O-CB 3.33Å; Q294-H297 PolarHBondContact O-N 2.8Å; R295-H297 VanDerWaalsContact C-N 3.33Å; R295-H297 PolarHBondContact O-N 3.35Å; H297-W300 PolarHBondContact O-N 2.73Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 2.87Å; H297-T361 PolarHBondContact CE1-OG1 2.64Å; H297-T361 PolarHBondContact NE2-OG1 3.28Å
298L94Very high92.6Very high0 Ų034.8 Ų34.80%019%0.191CC..Hα-helixtrans-63.2-44.4-179.6-175.761000111.7R225 L238 Q294 R295 L296 A301 Q302R225-L298 HydrophobicContact CB-CD1 4.37Å; L238-L298 HydrophobicContact CB-CD2 4.08Å; L238-L298 HydrophobicContact CD2-CD2 4.1Å; L238-L298 HydrophobicContact CG-CD2 4.37Å; Q294-L298 WeakPolarHBondContact O-CB 3.31Å; Q294-L298 PolarHBondContact O-N 2.6Å; R295-L298 PolarHBondContact O-N 3.46Å; L296-L298 PolarHBondContact O-N 3.32Å; L298-A301 PolarHBondContact O-N 3.27Å; L298-Q302 HydrophobicContact CD1-CG 4.26Å; L298-Q302 WeakPolarHBondContact O-CB 3.45Å; L298-Q302 VanDerWaalsContact O-CG 3.26Å; L298-Q302 WeakPolarHBondContact O-CG 3.45Å; L298-Q302 PolarHBondContact O-N 3.07Å
299L94Very high92.8Very high19 Ų1935 Ų3510%0.09919%0.188CC..Hα-helixtrans-66.4-40.2179.9-69.8173.9000112.4F262 R295 L296 G303 K304 A305F262-L299 HydrophobicContact CD2-CD1 3.56Å; F262-L299 HydrophobicContact CE2-CD1 3.4Å; F262-L299 VanDerWaalsContact CE2-CD1 3.4Å; F262-L299 HydrophobicContact CZ-CD1 4.45Å; R295-L299 HydrophobicContact CG-CD1 4.14Å; R295-L299 WeakPolarHBondContact O-CG 3.29Å; R295-L299 PolarHBondContact O-N 3.2Å; L296-L299 PolarHBondContact O-N 3.35Å; L299-G303 PolarHBondContact O-N 3.14Å; L299-K304 HydrophobicContact CB-CB 4.49Å; L299-K304 HydrophobicContact CD2-CB 3.98Å; L299-K304 HydrophobicContact CD2-CD 3.92Å; L299-K304 PolarHBondContact O-N 3.08Å; L299-A305 HydrophobicContact CB-CB 3.76Å; L299-A305 HydrophobicContact CD1-CB 4.41Å; L299-A305 PolarHBondContact O-N 3.17Å
300W95.3Very high92.9Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-61.8-48.3173.517181.5000111.6L216 K217 V220 L296 H297 Q302 G303 A305 F309 L312L216-W300 HydrophobicContact CD2-CH2 4.23Å; L216-W300 HydrophobicContact CG-CH2 4.19Å; K217-W300 HydrophobicContact CG-CH2 3.56Å; K217-W300 HydrophobicContact CG-CZ2 4.04Å; K217-W300 HydrophobicContact CG-CZ3 3.85Å; V220-W300 HydrophobicContact CB-CE3 4.49Å; V220-W300 HydrophobicContact CB-CZ3 4.03Å; V220-W300 HydrophobicContact CG1-CE3 4.12Å; V220-W300 HydrophobicContact CG1-CZ3 4.14Å; V220-W300 HydrophobicContact CG2-CZ3 4.06Å; L296-W300 PolarHBondContact O-N 3.12Å; H297-W300 PolarHBondContact O-N 2.73Å; W300-Q302 VanDerWaalsContact C-N 3.28Å; W300-Q302 PolarHBondContact O-N 2.94Å; W300-G303 PolarHBondContact O-N 3.48Å; W300-A305 WeakPolarHBondContact CA-O 3.44Å; W300-F309 PolarHBondContact NE1-O 3.19Å; W300-L312 HydrophobicContact CB-CD1 3.78Å; W300-L312 HydrophobicContact CD2-CB 3.55Å; W300-L312 HydrophobicContact CD2-CD1 3.66Å; W300-L312 HydrophobicContact CD2-CG 4.24Å; W300-L312 HydrophobicContact CE3-CB 3.63Å; W300-L312 HydrophobicContact CE3-CD1 3.9Å; W300-L312 HydrophobicContact CE3-CG 4.28Å; W300-L312 HydrophobicContact CG-CB 4.26Å; W300-L312 HydrophobicContact CG-CD1 3.59Å; W300-L312 HydrophobicContact CH2-CB 3.71Å; W300-L312 HydrophobicContact CZ2-CB 3.64Å; W300-L312 HydrophobicContact CZ3-CB 3.71Å
301A93.9Very high93.1Very high15 Ų1532.1 Ų32.112%0.12417%0.169CC..Hα-helixtrans-65.2-32.2-177.700000112.8V220 H297 L298 G303V220-A301 HydrophobicContact CB-CB 4.39Å; V220-A301 HydrophobicContact CG1-CB 4.19Å; H297-A301 WeakPolarHBondContact O-CB 3.48Å; H297-A301 PolarHBondContact O-N 2.87Å; L298-A301 PolarHBondContact O-N 3.27Å; A301-G303 VanDerWaalsContact C-N 3.3Å
302Q93.3Very high93.3Very high60 Ų6029.8 Ų29.828%0.2816%0.155SC..THydrogen-bonded Turntrans-79.3-5.5174.4-71.1178.82.700114D239 L298 W300 K304D239-Q302 PolarHBondContact OD2-NE2 3.17Å; D239-Q302 VanDerWaalsContact OD2-NE2 3.16Å; L298-Q302 HydrophobicContact CD1-CG 4.26Å; L298-Q302 WeakPolarHBondContact O-CB 3.45Å; L298-Q302 VanDerWaalsContact O-CG 3.26Å; L298-Q302 WeakPolarHBondContact O-CG 3.45Å; L298-Q302 PolarHBondContact O-N 3.07Å; W300-Q302 VanDerWaalsContact C-N 3.28Å; W300-Q302 PolarHBondContact O-N 2.94Å; Q302-K304 HydrophobicContact CB-CD 4.3Å; Q302-K304 HydrophobicContact CB-CG 4.17Å
303G91.3Very high93.5Very high37 Ų3729.8 Ų29.838%0.38115%0.154SC..THydrogen-bonded Turntrans79.613.6-177.600000114.9L299 W300 A301 Q307L299-G303 PolarHBondContact O-N 3.14Å; W300-G303 PolarHBondContact O-N 3.48Å; A301-G303 VanDerWaalsContact C-N 3.3Å; G303-Q307 VanDerWaalsContact CA-NE2 3.3Å
304K91.3Very high93.5Very high134 Ų13430.6 Ų30.658%0.58316%0.16SC*.SBendtrans-93.2-25.2-172.4-69.6-179.5-179.6165.10114.5L299 Q302L299-K304 HydrophobicContact CB-CB 4.49Å; L299-K304 HydrophobicContact CD2-CB 3.98Å; L299-K304 HydrophobicContact CD2-CD 3.92Å; L299-K304 PolarHBondContact O-N 3.08Å; Q302-K304 HydrophobicContact CB-CD 4.3Å; Q302-K304 HydrophobicContact CB-CG 4.17Å
305A90.5Very high93.5Very high7 Ų729.3 Ų29.36%0.05815%0.154CC..SBendtrans-143.9159-17800000110.6E263 L299 W300 Q307E263-A305 VanDerWaalsContact OE1-CA 3.27Å; E263-A305 WeakPolarHBondContact OE1-CA 3.35Å; E263-A305 VanDerWaalsContact OE1-CB 3.26Å; E263-A305 WeakPolarHBondContact OE1-CB 3.41Å; L299-A305 HydrophobicContact CB-CB 3.76Å; L299-A305 HydrophobicContact CD1-CB 4.41Å; L299-A305 PolarHBondContact O-N 3.17Å; W300-A305 WeakPolarHBondContact CA-O 3.44Å; A305-Q307 VanDerWaalsContact C-N 3.35Å; A305-Q307 PolarHBondContact O-N 3.36Å; A305-Q307 PolarHBondContact O-NE2 2.83Å
306L90.1Very high93.4Very high7 Ų729.1 Ų29.14%0.03716%0.158CC..  trans56.939.1172-57.7-177.5000115F262 E263 I266 L296 D308 F309 L359F262-L306 HydrophobicContact CB-CD2 4.37Å; F262-L306 HydrophobicContact CB-CG 4.34Å; E263-L306 PolarHBondContact OE1-N 2.78Å; I266-L306 HydrophobicContact CD1-CD1 3.74Å; I266-L306 HydrophobicContact CD1-CD2 3.61Å; I266-L306 HydrophobicContact CD1-CG 4.32Å; I266-L306 HydrophobicContact CG1-CD2 4.25Å; L296-L306 HydrophobicContact CD1-CD1 4.05Å; L296-L306 HydrophobicContact CD2-CD1 3.56Å; L296-L306 HydrophobicContact CG-CD1 3.67Å; L306-D308 PolarHBondContact O-N 2.95Å; L306-F309 HydrophobicContact CB-CD2 4.14Å; L306-F309 HydrophobicContact CD2-CE2 4.5Å; L306-F309 PolarHBondContact O-N 2.71Å; L306-L359 HydrophobicContact CD1-CD2 3.98Å
307Q89.2Confident93.3Very high86 Ų8629.1 Ų29.140%0.40216%0.158SC..THydrogen-bonded Turntrans-70.6-11.5-176.7-63.3-52.5-72.100114.4G303 A305 F309G303-Q307 VanDerWaalsContact CA-NE2 3.3Å; A305-Q307 VanDerWaalsContact C-N 3.35Å; A305-Q307 PolarHBondContact O-N 3.36Å; A305-Q307 PolarHBondContact O-NE2 2.83Å; Q307-F309 PolarHBondContact O-N 3.26Å
308D89.7Confident93Very high132 Ų13230.1 Ų30.171%0.70616%0.161SC*.THydrogen-bonded Turntrans-66-19172.6-57.3-32.1000112.6L306L306-D308 PolarHBondContact O-N 2.95Å
309F94.4Very high92.6Very high18 Ų1834.1 Ų34.18%0.07918%0.176CC..  trans-99116.6177.3-60.1-76.9000111.3I266 W300 L306 Q307 L357 L359 R404I266-F309 HydrophobicContact CD1-CE2 4Å; I266-F309 HydrophobicContact CG2-CE2 4.05Å; I266-F309 HydrophobicContact CG2-CZ 3.94Å; W300-F309 PolarHBondContact NE1-O 3.19Å; L306-F309 HydrophobicContact CB-CD2 4.14Å; L306-F309 HydrophobicContact CD2-CE2 4.5Å; L306-F309 PolarHBondContact O-N 2.71Å; Q307-F309 PolarHBondContact O-N 3.26Å; F309-L357 CarbonylContact C-O 3.56Å; F309-L357 WeakPolarHBondContact CA-O 3.46Å; F309-L359 HydrophobicContact CB-CB 4.23Å; F309-L359 HydrophobicContact CD1-CB 3.87Å; F309-L359 HydrophobicContact CD2-CB 4.4Å; F309-L359 HydrophobicContact CD2-CD2 4.36Å; F309-L359 HydrophobicContact CE1-CB 4.35Å; F309-L359 HydrophobicContact CG-CB 3.9Å; F309-R404 HydrophobicContact CE1-CB 3.63Å; F309-R404 HydrophobicContact CE1-CG 4.37Å; F309-R404 HydrophobicContact CZ-CB 3.75Å; F309-R404 HydrophobicContact CZ-CG 3.96Å
310L95.3Very high92.4Very high19 Ų1933.5 Ų33.510%0.09917%0.173CC..SBendtrans-73.6-31.8176.7-63.8-172.3000112.8L205 F209 Q213 F350 L357L205-L310 HydrophobicContact CD1-CD1 4.32Å; F209-L310 HydrophobicContact CE1-CD1 4.25Å; F209-L310 HydrophobicContact CZ-CB 4.38Å; F209-L310 HydrophobicContact CZ-CD1 4.33Å; Q213-L310 WeakPolarHBondContact CG-O 3.32Å; Q213-L310 PolarHBondContact NE2-O 2.96Å; L310-F350 HydrophobicContact CD1-CZ 4.14Å; L310-L357 HydrophobicContact CB-CB 4.31Å; L310-L357 HydrophobicContact CD1-CB 4.42Å; L310-L357 HydrophobicContact CD1-CD1 3.68Å; L310-L357 HydrophobicContact CG-CB 4.16Å; L310-L357 HydrophobicContact CG-CD1 4.16Å; L310-L357 PolarHBondContact N-O 3.29Å
311L96.9Very high91.9Very high0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-130.8134.8-178.3-58.9175.5000111F209 Y212 Q213 L216 F313 I351 L357 V358 L359F209-L311 HydrophobicContact CE2-CD1 3.84Å; F209-L311 HydrophobicContact CE2-CD2 4.32Å; F209-L311 HydrophobicContact CE2-CG 4.27Å; F209-L311 HydrophobicContact CZ-CD1 4.09Å; F209-L311 HydrophobicContact CZ-CD2 4.08Å; F209-L311 HydrophobicContact CZ-CG 4.04Å; Y212-L311 HydrophobicContact CD1-CD2 4.17Å; Y212-L311 HydrophobicContact CE1-CD2 4.22Å; Q213-L311 HydrophobicContact CB-CD2 4.33Å; Q213-L311 HydrophobicContact CG-CD2 4.35Å; L216-L311 HydrophobicContact CD2-CB 4.09Å; L216-L311 HydrophobicContact CD2-CD2 3.76Å; L311-F313 HydrophobicContact CB-CD2 4.46Å; L311-F313 HydrophobicContact CB-CE2 3.75Å; L311-F313 HydrophobicContact CB-CZ 4.41Å; L311-F313 HydrophobicContact CD1-CE2 4.19Å; L311-F313 HydrophobicContact CD1-CZ 4.32Å; L311-I351 HydrophobicContact CD1-CD1 3.98Å; L311-I351 HydrophobicContact CD1-CG1 3.63Å; L311-L357 PolarHBondContact N-O 3.45Å; L311-V358 HydrophobicContact CB-CG1 4.45Å; L311-V358 HydrophobicContact CB-CG2 4.43Å; L311-V358 HydrophobicContact CD1-CG2 4.48Å; L311-V358 WeakPolarHBondContact O-CA 2.99Å; L311-L359 PolarHBondContact O-N 3.5Å
312L96.9Very high91.4Very high0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-128.3123.1175.3-171165.9000109.8L296 W300 P314 L359 T361L296-L312 HydrophobicContact CD2-CD1 3.86Å; W300-L312 HydrophobicContact CB-CD1 3.78Å; W300-L312 HydrophobicContact CD2-CB 3.55Å; W300-L312 HydrophobicContact CD2-CD1 3.66Å; W300-L312 HydrophobicContact CD2-CG 4.24Å; W300-L312 HydrophobicContact CE3-CB 3.63Å; W300-L312 HydrophobicContact CE3-CD1 3.9Å; W300-L312 HydrophobicContact CE3-CG 4.28Å; W300-L312 HydrophobicContact CG-CB 4.26Å; W300-L312 HydrophobicContact CG-CD1 3.59Å; W300-L312 HydrophobicContact CH2-CB 3.71Å; W300-L312 HydrophobicContact CZ2-CB 3.64Å; W300-L312 HydrophobicContact CZ3-CB 3.71Å; L312-P314 HydrophobicContact CD2-CB 4.5Å; L312-P314 WeakPolarHBondContact O-CD 3.42Å; L312-L359 CarbonylContact C-O 3.44Å; L312-L359 VanDerWaalsContact CA-O 3.31Å; L312-L359 WeakPolarHBondContact CA-O 3.13Å; L312-L359 HydrophobicContact CD1-CD2 3.77Å; L312-L359 HydrophobicContact CD1-CG 4.44Å; L312-L359 HydrophobicContact CG-CB 4.26Å; L312-L359 HydrophobicContact CG-CD2 4.04Å; L312-L359 HydrophobicContact CG-CG 4.18Å; L312-T361 HydrophobicContact CD2-CG2 4.31Å
313F96.7Very high91.1Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-111.1106.7179.1-62.7-93.1000111.5Y212 L216 L311 F315 L333 C337 I351 V358 L359 F360 T361Y212-F313 HydrophobicContact CE1-CZ 4.24Å; Y212-F313 VanDerWaalsContact OH-CE1 3.26Å; Y212-F313 WeakPolarHBondContact OH-CE1 3.48Å; L216-F313 HydrophobicContact CD2-CE1 4.37Å; L216-F313 HydrophobicContact CD2-CZ 4.26Å; L311-F313 HydrophobicContact CB-CD2 4.46Å; L311-F313 HydrophobicContact CB-CE2 3.75Å; L311-F313 HydrophobicContact CB-CZ 4.41Å; L311-F313 HydrophobicContact CD1-CE2 4.19Å; L311-F313 HydrophobicContact CD1-CZ 4.32Å; F313-F315 HydrophobicContact CB-CD2 4.47Å; F313-F315 HydrophobicContact CB-CE2 3.57Å; F313-F315 HydrophobicContact CB-CZ 3.74Å; F313-L333 HydrophobicContact CB-CD2 4.33Å; F313-L333 HydrophobicContact CD1-CB 4.28Å; F313-L333 HydrophobicContact CD1-CD2 3.93Å; F313-L333 HydrophobicContact CD2-CD2 4.24Å; F313-L333 HydrophobicContact CE1-CB 4.01Å; F313-L333 HydrophobicContact CE1-CD2 4.25Å; F313-L333 HydrophobicContact CE1-CG 4.49Å; F313-L333 HydrophobicContact CG-CD2 3.92Å; F313-L333 HydrophobicContact CZ-CD1 4.38Å; F313-C337 HydrophobicContact CD1-CB 4Å; F313-I351 HydrophobicContact CE2-CD1 4.27Å; F313-I351 HydrophobicContact CZ-CD1 3.88Å; F313-V358 HydrophobicContact CD2-CG1 3.94Å; F313-V358 HydrophobicContact CE2-CG1 3.91Å; F313-L359 PolarHBondContact N-O 3.33Å; F313-F360 HydrophobicContact CB-CD1 3.86Å; F313-F360 HydrophobicContact CB-CE1 4.24Å; F313-F360 AromaticContact CD2-CD1 3.81Å; F313-F360 HydrophobicContact CD2-CD1 3.81Å; F313-F360 AromaticContact CD2-CE1 3.52Å; F313-F360 HydrophobicContact CD2-CE1 3.52Å; F313-F360 HydrophobicContact CE2-CE1 4.16Å; F313-F360 HydrophobicContact CG-CD1 4.2Å; F313-F360 HydrophobicContact CG-CE1 4.1Å; F313-T361 PolarHBondContact O-N 3.45Å
314P95.4Very high90.7Very high20 Ų2040.4 Ų40.413%0.1320%0.199CC..EExtended strand (participates in β ladder)trans-81.3129.717331.9-36.1000113.2V220 L312 T361V220-P314 HydrophobicContact CG2-CG 4.05Å; L312-P314 HydrophobicContact CD2-CB 4.5Å; L312-P314 WeakPolarHBondContact O-CD 3.42Å; P314-T361 WeakPolarHBondContact CA-OG1 3.26Å
315F93.8Very high90.7Very high10 Ų1040.6 Ų40.64%0.04420%0.196CC..EExtended strand (participates in β ladder)trans-125.4137.2175.7-61.9-68.6000111.5F313 L320 L332 L333 C337 F360 T361 F362 D363F313-F315 HydrophobicContact CB-CD2 4.47Å; F313-F315 HydrophobicContact CB-CE2 3.57Å; F313-F315 HydrophobicContact CB-CZ 3.74Å; F315-L320 HydrophobicContact CB-CD1 3.91Å; F315-L320 HydrophobicContact CD1-CD1 4.36Å; F315-L320 HydrophobicContact CG-CD1 4.34Å; F315-L332 HydrophobicContact CD1-CD1 4.16Å; F315-L332 HydrophobicContact CD1-CG 4.46Å; F315-L332 HydrophobicContact CE1-CD1 3.98Å; F315-L332 HydrophobicContact CE1-CG 3.89Å; F315-L332 WeakPolarHBondContact CE1-O 3.13Å; F315-L332 HydrophobicContact CZ-CG 4.09Å; F315-L333 HydrophobicContact CE2-CD2 4.21Å; F315-L333 HydrophobicContact CZ-CD2 3.74Å; F315-C337 HydrophobicContact CE1-CB 3.93Å; F315-C337 HydrophobicContact CZ-CB 4.26Å; F315-F360 HydrophobicContact CE2-CD1 4.46Å; F315-F360 HydrophobicContact CE2-CG 4.47Å; F315-T361 WeakPolarHBondContact CB-O 3.41Å; F315-T361 PolarHBondContact N-O 2.9Å; F315-F362 HydrophobicContact CB-CD1 3.69Å; F315-F362 HydrophobicContact CB-CE1 3.95Å; F315-F362 HydrophobicContact CD2-CD1 4.02Å; F315-F362 AromaticContact CD2-CE1 3.52Å; F315-F362 HydrophobicContact CD2-CE1 3.52Å; F315-F362 AromaticContact CD2-CZ 3.92Å; F315-F362 HydrophobicContact CD2-CZ 3.92Å; F315-F362 HydrophobicContact CE2-CE1 4.34Å; F315-F362 HydrophobicContact CE2-CZ 4.43Å; F315-F362 HydrophobicContact CG-CD1 4.18Å; F315-F362 AromaticContact CG-CE1 3.92Å; F315-F362 HydrophobicContact CG-CE1 3.92Å; F315-F362 WeakPolarHBondContact O-CA 3.27Å; F315-D363 PolarHBondContact O-N 2.88Å
316S91.4Very high90.8Very high33 Ų3344.2 Ų44.223%0.23121%0.214CC..EExtended strand (participates in β ladder)trans-99.2115.5168.7170.80000109.1R318 R319 L320S316-R318 PolarHBondContact O-N 3.02Å; S316-R318 WeakPolarHBondContact OG-CB 3.35Å; S316-R319 PolarHBondContact O-N 3.46Å; S316-R319 VanDerWaalsContact O-N 3.1Å; S316-L320 WeakPolarHBondContact O-CG 3.32Å; S316-L320 PolarHBondContact O-N 3.35Å
317C91.7Very high91Very high0 Ų044 Ų440%021%0.213CC..Hα-helixtrans-59.8-33.3177.9-72.80000111.5R319 L320 N321 D363 G364 L368C317-R319 PolarHBondContact O-N 3.22Å; C317-L320 PolarHBondContact O-N 3.43Å; C317-N321 WeakPolarHBondContact O-CB 3.39Å; C317-N321 PolarHBondContact O-N 3.41Å; C317-D363 VanDerWaalsContact CB-O 3.29Å; C317-D363 WeakPolarHBondContact CB-O 3.49Å; C317-D363 PolarHBondContact N-O 3.38Å; C317-G364 WeakPolarHBondContact CB-O 3.31Å; C317-L368 HydrophobicContact CB-CD2 4.14Å; C317-L368 HydrophobicContact CB-CG 4.19Å
318R87.9Confident91.3Very high35 Ų3540.1 Ų40.113%0.13220%0.196CC..Hα-helixtrans-52.5-50.1171.3-158.4-179.4-72.9175.7-2.9113.7S316 N321 S322 E367 Y544 I545 E581S316-R318 PolarHBondContact O-N 3.02Å; S316-R318 WeakPolarHBondContact OG-CB 3.35Å; R318-N321 WeakPolarHBondContact O-CB 3.47Å; R318-N321 PolarHBondContact O-N 3.22Å; R318-S322 PolarHBondContact O-OG 2.87Å; R318-E367 VanDerWaalsContact CB-OE2 3.22Å; R318-E367 WeakPolarHBondContact CB-OE2 3.38Å; R318-E367 IonicContact CZ-OE1 2.64Å; R318-E367 IonicContact CZ-OE2 3.58Å; R318-E367 IonicContact NE-OE1 3.59Å; R318-E367 IonicContact NE-OE2 3.74Å; R318-E367 PolarHBondContact NE-OE2 3.12Å; R318-E367 IonicContact NH2-OE1 2.96Å; R318-E367 PolarHBondContact NH2-OE1 2.86Å; R318-E367 IonicContact NH2-OE2 2.71Å; R318-E367 PolarHBondContact NH2-OE2 2.99Å; R318-Y544 VanDerWaalsContact CD-CB 3.46Å; R318-Y544 HydrophobicContact CG-CD2 4.12Å; R318-Y544 HydrophobicContact CG-CG 4.29Å; R318-I545 HydrophobicContact CB-CD1 4.22Å; R318-I545 HydrophobicContact CG-CD1 3.83Å; R318-I545 HydrophobicContact CG-CG1 3.88Å; R318-E581 WeakPolarHBondContact CD-OE2 3.47Å; R318-E581 IonicContact CZ-OE2 3.22Å; R318-E581 IonicContact NE-OE2 2.66Å; R318-E581 IonicContact NH1-OE2 2.82Å; R318-E581 PolarHBondContact NH1-OE2 2.79Å
319R85.9Confident91.5Very high85 Ų8533.9 Ų33.932%0.32116%0.163SC..Hα-helixtrans-68.4-45.1-178.9-66.3-178.6-176.4-170.9-2.2110.6S316 C317 N321 S322 I545 S569 K570S316-R319 PolarHBondContact O-N 3.46Å; S316-R319 VanDerWaalsContact O-N 3.1Å; C317-R319 PolarHBondContact O-N 3.22Å; R319-N321 PolarHBondContact O-N 3.09Å; R319-S322 WeakPolarHBondContact O-CB 3.42Å; R319-S322 PolarHBondContact O-N 3.19Å; R319-I545 HydrophobicContact CB-CD1 4.01Å; R319-I545 HydrophobicContact CG-CD1 3.49Å; R319-I545 VanDerWaalsContact CG-CD1 3.49Å; R319-S569 VanDerWaalsContact CZ-OG 3.28Å; R319-S569 PolarHBondContact NE-OG 2.96Å; R319-S569 PolarHBondContact NH2-OG 3.5Å; R319-K570 PolarHBondContact NH1-O 3.45Å
320L88.8Confident91.5Very high5 Ų534.9 Ų34.93%0.02617%0.167CC..Hα-helixtrans-60.2-33.6176.5-72.3-175.5000112.8F315 S316 C317 S322 E323 L332 H336 V387 L391F315-L320 HydrophobicContact CB-CD1 3.91Å; F315-L320 HydrophobicContact CD1-CD1 4.36Å; F315-L320 HydrophobicContact CG-CD1 4.34Å; S316-L320 WeakPolarHBondContact O-CG 3.32Å; S316-L320 PolarHBondContact O-N 3.35Å; C317-L320 PolarHBondContact O-N 3.43Å; L320-S322 PolarHBondContact O-N 2.79Å; L320-E323 PolarHBondContact O-N 2.82Å; L320-L332 HydrophobicContact CD1-CD1 4.17Å; L320-L332 HydrophobicContact CD2-CD1 3.49Å; L320-L332 VanDerWaalsContact CD2-CD1 3.49Å; L320-H336 HydrophobicContact CD2-CB 4.39Å; L320-V387 HydrophobicContact CB-CG1 3.67Å; L320-V387 HydrophobicContact CD1-CG1 4.34Å; L320-V387 HydrophobicContact CD2-CG1 4.12Å; L320-V387 HydrophobicContact CG-CG1 4.25Å; L320-L391 HydrophobicContact CD1-CD1 3.91Å; L320-L391 HydrophobicContact CD1-CD2 3.91Å; L320-L391 HydrophobicContact CD1-CG 4.47Å
321N85.9Confident91.4Very high15 Ų1535.5 Ų35.58%0.0817%0.17CC..THydrogen-bonded Turntrans-65.9-20.2175.2-166.346.5000113.7C317 R318 R319 E367 L368 K369 S542C317-N321 WeakPolarHBondContact O-CB 3.39Å; C317-N321 PolarHBondContact O-N 3.41Å; R318-N321 WeakPolarHBondContact O-CB 3.47Å; R318-N321 PolarHBondContact O-N 3.22Å; R319-N321 PolarHBondContact O-N 3.09Å; N321-E367 PolarHBondContact ND2-O 3.32Å; N321-L368 HydrophobicContact CB-CD2 4.08Å; N321-K369 WeakPolarHBondContact OD1-CG 3.43Å; N321-K369 PolarHBondContact OD1-N 2.94Å; N321-S542 PolarHBondContact ND2-O 2.88Å
322S83.3Confident91.2Very high52 Ų5235.5 Ų35.536%0.36417%0.17SC..THydrogen-bonded Turntrans-87.2-18.2179.5-55.20000112.7R318 R319 L320 Q324R318-S322 PolarHBondContact O-OG 2.87Å; R319-S322 WeakPolarHBondContact O-CB 3.42Å; R319-S322 PolarHBondContact O-N 3.19Å; L320-S322 PolarHBondContact O-N 2.79Å; S322-Q324 PolarHBondContact O-N 2.81Å; S322-Q324 PolarHBondContact O-NE2 3.22Å
323E85.9Confident91.1Very high41 Ų4135.5 Ų35.519%0.19217%0.17CC..  trans-75.2121.2178.6179.461.1-97.100110.6L320 R325 L327 H336 V387L320-E323 PolarHBondContact O-N 2.82Å; E323-R325 VanDerWaalsContact OE1-CB 3.26Å; E323-R325 WeakPolarHBondContact OE1-CB 3.42Å; E323-R325 VanDerWaalsContact OE1-CG 3.31Å; E323-R325 WeakPolarHBondContact OE1-CG 3.45Å; E323-R325 IonicContact OE1-CZ 3.69Å; E323-R325 PolarHBondContact OE1-N 3.17Å; E323-R325 IonicContact OE1-NE 3.61Å; E323-R325 PolarHBondContact OE1-NE 3Å; E323-R325 IonicContact OE1-NH2 3.51Å; E323-R325 IonicContact OE2-CZ 2.68Å; E323-R325 IonicContact OE2-NE 2.76Å; E323-R325 PolarHBondContact OE2-NE 2.94Å; E323-R325 IonicContact OE2-NH2 3.26Å; E323-R325 PolarHBondContact OE2-NH2 3.18Å; E323-L327 HydrophobicContact CG-CD1 4.06Å; E323-L327 HydrophobicContact CG-CD2 4.38Å; E323-L327 HydrophobicContact CG-CG 4.23Å; E323-H336 IonicContact OE2-CE1 2.77Å; E323-H336 PolarHBondContact OE2-CE1 2.82Å; E323-H336 IonicContact OE2-NE2 3.57Å; E323-V387 HydrophobicContact CB-CG2 4.1Å; E323-V387 HydrophobicContact CG-CG2 4.01Å
324Q84.4Confident90.8Very high150 Ų15035.8 Ų35.870%0.70117%0.171SC*.  trans-96.7-16.3-178.2-59.1-55.5-46.700112.5S322S322-Q324 PolarHBondContact O-N 2.81Å; S322-Q324 PolarHBondContact O-NE2 3.22Å
325R90.2Very high90.5Very high137 Ų13737.7 Ų37.752%0.51718%0.178SC..SBendtrans-78.9147179.5-60.7176.3-64.3149.36110.4E323 L327E323-R325 VanDerWaalsContact OE1-CB 3.26Å; E323-R325 WeakPolarHBondContact OE1-CB 3.42Å; E323-R325 VanDerWaalsContact OE1-CG 3.31Å; E323-R325 WeakPolarHBondContact OE1-CG 3.45Å; E323-R325 IonicContact OE1-CZ 3.69Å; E323-R325 PolarHBondContact OE1-N 3.17Å; E323-R325 IonicContact OE1-NE 3.61Å; E323-R325 PolarHBondContact OE1-NE 3Å; E323-R325 IonicContact OE1-NH2 3.51Å; E323-R325 IonicContact OE2-CZ 2.68Å; E323-R325 IonicContact OE2-NE 2.76Å; E323-R325 PolarHBondContact OE2-NE 2.94Å; E323-R325 IonicContact OE2-NH2 3.26Å; E323-R325 PolarHBondContact OE2-NH2 3.18Å; R325-L327 HydrophobicContact CB-CD2 4.49Å; R325-L327 PolarHBondContact O-N 3.43Å
326D93.3Very high90.1Very high83 Ų8339.9 Ų39.944%0.44419%0.189SC..  trans-70.8129.2166.1-68-14.7000109.4R384 A385 P386D326-R384 HydrophobicContact CB-CB 4.02Å; D326-A385 WeakPolarHBondContact CA-O 3.43Å; D326-P386 WeakPolarHBondContact OD1-CD 3.45Å; D326-P386 WeakPolarHBondContact OD1-CG 3.39Å
327L93.7Very high89.9Confident2 Ų238.7 Ų38.71%0.0118%0.18CC..BIsolated β-bridgetrans-113.9155.3-179.3-58.3-176.6000110.4E323 R325 E331 L332 H336 R384 A385 V387 L390E323-L327 HydrophobicContact CG-CD1 4.06Å; E323-L327 HydrophobicContact CG-CD2 4.38Å; E323-L327 HydrophobicContact CG-CG 4.23Å; R325-L327 HydrophobicContact CB-CD2 4.49Å; R325-L327 PolarHBondContact O-N 3.43Å; L327-E331 HydrophobicContact CB-CB 4.42Å; L327-E331 HydrophobicContact CD2-CB 4.44Å; L327-L332 HydrophobicContact CD1-CD1 4.48Å; L327-H336 WeakPolarHBondContact CD1-NE2 3.16Å; L327-R384 CarbonylContact O-C 3.32Å; L327-R384 VanDerWaalsContact O-CA 3.25Å; L327-R384 WeakPolarHBondContact O-CA 3.22Å; L327-A385 PolarHBondContact N-O 2.9Å; L327-A385 PolarHBondContact O-N 2.99Å; L327-V387 HydrophobicContact CD1-CG2 3.93Å; L327-V387 HydrophobicContact CG-CG2 4.2Å; L327-L390 HydrophobicContact CB-CD1 4.07Å; L327-L390 VanDerWaalsContact O-CD1 3.28Å; L327-L390 WeakPolarHBondContact O-CD1 3.47Å
328S95.1Very high89.8Confident6 Ų639 Ų394%0.04218%0.182CC..  trans-90.5170.3159.575.80000111.3Q330 E331 L332S328-Q330 VanDerWaalsContact C-N 3.29Å; S328-Q330 PolarHBondContact O-N 3.47Å; S328-Q330 PolarHBondContact OG-N 3.23Å; S328-E331 PolarHBondContact N-OE2 2.93Å; S328-E331 PolarHBondContact O-N 3.42Å; S328-E331 WeakPolarHBondContact OG-CG 3.39Å; S328-E331 PolarHBondContact OG-N 2.79Å; S328-E331 PolarHBondContact OG-OE2 3.21Å; S328-L332 WeakPolarHBondContact O-CB 3.49Å; S328-L332 PolarHBondContact O-N 3.27Å
329V94.6Very high89.8Confident1 Ų143 Ų431%0.00620%0.198CC..Hα-helixtrans-61.8-40.3173.51780000110.3E331 L332 L333 F348 P381 L390 L399 M400V329-E331 VanDerWaalsContact C-N 3.35Å; V329-E331 PolarHBondContact O-N 3.43Å; V329-L332 WeakPolarHBondContact O-CB 3.28Å; V329-L332 PolarHBondContact O-N 3.29Å; V329-L333 HydrophobicContact CG1-CD1 4.33Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 VanDerWaalsContact O-CG 3.3Å; V329-L333 WeakPolarHBondContact O-CG 3.28Å; V329-L333 PolarHBondContact O-N 3.06Å; V329-F348 HydrophobicContact CB-CZ 4.47Å; V329-F348 HydrophobicContact CG1-CE2 4.33Å; V329-P381 HydrophobicContact CB-CB 4.1Å; V329-P381 WeakPolarHBondContact CB-O 3.41Å; V329-P381 HydrophobicContact CG2-CB 4.17Å; V329-P381 PolarHBondContact N-O 2.97Å; V329-L390 HydrophobicContact CG2-CD2 4.36Å; V329-L399 HydrophobicContact CG2-CD1 4.24Å; V329-M400 HydrophobicContact CG1-CG 4.03Å; V329-M400 HydrophobicContact CG1-SD 4.18Å
330Q94.4Very high89.9Confident38 Ų3839 Ų3918%0.17818%0.182CC..Hα-helixtrans-60.9-44.2177.8-168.5-179.33400111.8S328 L333 F334 E345 F348S328-Q330 VanDerWaalsContact C-N 3.29Å; S328-Q330 PolarHBondContact O-N 3.47Å; S328-Q330 PolarHBondContact OG-N 3.23Å; Q330-L333 PolarHBondContact O-N 3.31Å; Q330-F334 HydrophobicContact CG-CD2 3.68Å; Q330-F334 HydrophobicContact CG-CE2 3.6Å; Q330-F334 HydrophobicContact CG-CZ 4.5Å; Q330-F334 WeakPolarHBondContact O-CB 3.49Å; Q330-F334 PolarHBondContact O-N 2.81Å; Q330-E345 PolarHBondContact NE2-OE2 2.82Å; Q330-F348 HydrophobicContact CB-CD1 4.16Å; Q330-F348 HydrophobicContact CB-CD2 3.88Å; Q330-F348 HydrophobicContact CB-CE1 3.92Å; Q330-F348 HydrophobicContact CB-CE2 3.65Å; Q330-F348 HydrophobicContact CB-CG 4.14Å; Q330-F348 HydrophobicContact CB-CZ 3.67Å; Q330-F348 HydrophobicContact CG-CB 4.24Å; Q330-F348 HydrophobicContact CG-CD1 4Å; Q330-F348 HydrophobicContact CG-CD2 3.76Å; Q330-F348 HydrophobicContact CG-CE1 4.3Å; Q330-F348 HydrophobicContact CG-CE2 4.08Å; Q330-F348 HydrophobicContact CG-CG 3.73Å; Q330-F348 HydrophobicContact CG-CZ 4.34Å
331E93.1Very high89.9Confident32 Ų3243.8 Ų43.815%0.1521%0.208CC..Hα-helixtrans-65.4-40.4177.6-68.2173.1142.300111.1L327 S328 V329 Q335 R384L327-E331 HydrophobicContact CB-CB 4.42Å; L327-E331 HydrophobicContact CD2-CB 4.44Å; S328-E331 PolarHBondContact N-OE2 2.93Å; S328-E331 PolarHBondContact O-N 3.42Å; S328-E331 WeakPolarHBondContact OG-CG 3.39Å; S328-E331 PolarHBondContact OG-N 2.79Å; S328-E331 PolarHBondContact OG-OE2 3.21Å; V329-E331 VanDerWaalsContact C-N 3.35Å; V329-E331 PolarHBondContact O-N 3.43Å; E331-Q335 WeakPolarHBondContact O-CA 3.45Å; E331-Q335 WeakPolarHBondContact O-CB 3.46Å; E331-Q335 PolarHBondContact O-N 2.99Å; E331-R384 IonicContact OE1-CZ 2.8Å; E331-R384 IonicContact OE1-NE 3.91Å; E331-R384 PolarHBondContact OE1-NE 3.19Å; E331-R384 IonicContact OE1-NH2 3.43Å; E331-R384 PolarHBondContact OE1-NH2 3.43Å; E331-R384 IonicContact OE2-CZ 3.99Å; E331-R384 IonicContact OE2-NE 3.89Å; E331-R384 PolarHBondContact OE2-NE 3.39Å; E331-R384 IonicContact OE2-NH2 3.54Å
332L93.2Very high89.8Confident1 Ų151.3 Ų51.31%0.00524%0.235CC..Hα-helixtrans-57.7-49.7173-179.265.7000111.5F315 L320 L327 S328 V329 H336 L391 L394F315-L332 HydrophobicContact CD1-CD1 4.16Å; F315-L332 HydrophobicContact CD1-CG 4.46Å; F315-L332 HydrophobicContact CE1-CD1 3.98Å; F315-L332 HydrophobicContact CE1-CG 3.89Å; F315-L332 WeakPolarHBondContact CE1-O 3.13Å; F315-L332 HydrophobicContact CZ-CG 4.09Å; L320-L332 HydrophobicContact CD1-CD1 4.17Å; L320-L332 HydrophobicContact CD2-CD1 3.49Å; L320-L332 VanDerWaalsContact CD2-CD1 3.49Å; L327-L332 HydrophobicContact CD1-CD1 4.48Å; S328-L332 WeakPolarHBondContact O-CB 3.49Å; S328-L332 PolarHBondContact O-N 3.27Å; V329-L332 WeakPolarHBondContact O-CB 3.28Å; V329-L332 PolarHBondContact O-N 3.29Å; L332-H336 HydrophobicContact CD1-CB 4.38Å; L332-H336 WeakPolarHBondContact O-CB 3.43Å; L332-H336 PolarHBondContact O-N 3.35Å; L332-L391 HydrophobicContact CD2-CD1 4.28Å; L332-L394 HydrophobicContact CD2-CD1 4.07Å
333L93.7Very high90Very high0 Ų050 Ų500%023%0.23CC..Hα-helixtrans-65.6-46.2-178.9-63-174.2000112.5F313 F315 V329 Q330 C337 C338 F348 I351 F360F313-L333 HydrophobicContact CB-CD2 4.33Å; F313-L333 HydrophobicContact CD1-CB 4.28Å; F313-L333 HydrophobicContact CD1-CD2 3.93Å; F313-L333 HydrophobicContact CD2-CD2 4.24Å; F313-L333 HydrophobicContact CE1-CB 4.01Å; F313-L333 HydrophobicContact CE1-CD2 4.25Å; F313-L333 HydrophobicContact CE1-CG 4.49Å; F313-L333 HydrophobicContact CG-CD2 3.92Å; F313-L333 HydrophobicContact CZ-CD1 4.38Å; F315-L333 HydrophobicContact CE2-CD2 4.21Å; F315-L333 HydrophobicContact CZ-CD2 3.74Å; V329-L333 HydrophobicContact CG1-CD1 4.33Å; V329-L333 HydrophobicContact CG1-CG 4.29Å; V329-L333 VanDerWaalsContact O-CG 3.3Å; V329-L333 WeakPolarHBondContact O-CG 3.28Å; V329-L333 PolarHBondContact O-N 3.06Å; Q330-L333 PolarHBondContact O-N 3.31Å; L333-C337 VanDerWaalsContact O-CB 3.31Å; L333-C337 WeakPolarHBondContact O-CB 3.44Å; L333-C337 PolarHBondContact O-N 2.66Å; L333-C338 PolarHBondContact O-N 3.06Å; L333-F348 HydrophobicContact CD1-CD2 4.33Å; L333-F348 HydrophobicContact CD1-CE2 4.16Å; L333-I351 HydrophobicContact CD1-CD1 3.99Å; L333-I351 HydrophobicContact CD1-CG2 4.15Å; L333-F360 HydrophobicContact CD1-CZ 4.31Å; L333-F360 HydrophobicContact CD2-CD1 4.41Å; L333-F360 HydrophobicContact CD2-CE1 3.62Å; L333-F360 HydrophobicContact CD2-CE2 4.46Å; L333-F360 HydrophobicContact CD2-CZ 3.66Å
334F92.1Very high90.2Very high6 Ų650.8 Ų50.83%0.02623%0.233CC..Hα-helixtrans-89.8-37.2-169.5-61.4-19.7000113.4Q330 C338 W339 P340 Q344 I347 F348 I351Q330-F334 HydrophobicContact CG-CD2 3.68Å; Q330-F334 HydrophobicContact CG-CE2 3.6Å; Q330-F334 HydrophobicContact CG-CZ 4.5Å; Q330-F334 WeakPolarHBondContact O-CB 3.49Å; Q330-F334 PolarHBondContact O-N 2.81Å; F334-C338 CarbonylContact O-C 3.58Å; F334-C338 VanDerWaalsContact O-C 3.3Å; F334-W339 HydrophobicContact CB-CD2 4.4Å; F334-W339 HydrophobicContact CB-CE3 3.62Å; F334-W339 HydrophobicContact CB-CZ3 3.91Å; F334-W339 WeakPolarHBondContact O-CA 3.25Å; F334-W339 PolarHBondContact O-N 2.9Å; F334-W339 VanDerWaalsContact O-N 3.13Å; F334-P340 HydrophobicContact CD1-CG 3.78Å; F334-P340 HydrophobicContact CD2-CG 4.12Å; F334-P340 HydrophobicContact CE1-CG 3.65Å; F334-P340 HydrophobicContact CE2-CG 4Å; F334-P340 HydrophobicContact CG-CG 4.02Å; F334-P340 HydrophobicContact CZ-CG 3.77Å; F334-Q344 HydrophobicContact CD2-CB 4.47Å; F334-Q344 HydrophobicContact CE2-CB 4.09Å; F334-Q344 WeakPolarHBondContact CE2-O 3.39Å; F334-I347 HydrophobicContact CE1-CG2 4.29Å; F334-I347 HydrophobicContact CZ-CG2 4.13Å; F334-F348 HydrophobicContact CE2-CB 4.04Å; F334-F348 HydrophobicContact CZ-CB 3.89Å; F334-F348 HydrophobicContact CZ-CD2 4.36Å; F334-I351 HydrophobicContact CE1-CD1 4.37Å
335Q88.6Confident90.5Very high59 Ų5950.1 Ų50.128%0.27623%0.23SC..Hα-helixtrans-85.8-33-178.7-56.5-178.214.600112.6E331 W339E331-Q335 WeakPolarHBondContact O-CA 3.45Å; E331-Q335 WeakPolarHBondContact O-CB 3.46Å; E331-Q335 PolarHBondContact O-N 2.99Å; Q335-W339 HydrophobicContact CG-CE3 4.19Å; Q335-W339 HydrophobicContact CG-CZ3 3.83Å
336H85.3Confident90.5Very high56 Ų5647.9 Ų47.926%0.25923%0.226SC..Hα-helixtrans-103.6-1-175.7-64-91.3000114.5L320 E323 L327 L332L320-H336 HydrophobicContact CD2-CB 4.39Å; E323-H336 IonicContact OE2-CE1 2.77Å; E323-H336 PolarHBondContact OE2-CE1 2.82Å; E323-H336 IonicContact OE2-NE2 3.57Å; L327-H336 WeakPolarHBondContact CD1-NE2 3.16Å; L332-H336 HydrophobicContact CD1-CB 4.38Å; L332-H336 WeakPolarHBondContact O-CB 3.43Å; L332-H336 PolarHBondContact O-N 3.35Å
337C87.4Confident90.5Very high9 Ų944 Ų446%0.06121%0.205CC..THydrogen-bonded Turntrans-130.6-71.1173.1176.10000112.6F313 F315 L333F313-C337 HydrophobicContact CD1-CB 4Å; F315-C337 HydrophobicContact CE1-CB 3.93Å; F315-C337 HydrophobicContact CZ-CB 4.26Å; L333-C337 VanDerWaalsContact O-CB 3.31Å; L333-C337 WeakPolarHBondContact O-CB 3.44Å; L333-C337 PolarHBondContact O-N 2.66Å
338C89.1Confident90.6Very high6 Ų644.5 Ų44.54%0.04121%0.207CC..  trans-153.3118.4-178.1-175.30000112.4Y212 L216 L333 F334Y212-C338 HydrophobicContact CE2-CB 4.41Å; Y212-C338 WeakPolarHBondContact CE2-O 3.32Å; Y212-C338 PolarHBondContact OH-O 2.92Å; L216-C338 HydrophobicContact CD1-CB 3.61Å; L333-C338 PolarHBondContact O-N 3.06Å; F334-C338 CarbonylContact O-C 3.58Å; F334-C338 VanDerWaalsContact O-C 3.3Å
339W88.4Confident90.4Very high120 Ų12048.7 Ų48.746%0.45523%0.226SC..  trans-77.4128.4179.6-170.6-92.5000112.1K215 F334 Q335 Q344K215-W339 WeakPolarHBondContact CE-O 3.39Å; K215-W339 PolarHBondContact NZ-O 3.12Å; F334-W339 HydrophobicContact CB-CD2 4.4Å; F334-W339 HydrophobicContact CB-CE3 3.62Å; F334-W339 HydrophobicContact CB-CZ3 3.91Å; F334-W339 WeakPolarHBondContact O-CA 3.25Å; F334-W339 PolarHBondContact O-N 2.9Å; F334-W339 VanDerWaalsContact O-N 3.13Å; Q335-W339 HydrophobicContact CG-CE3 4.19Å; Q335-W339 HydrophobicContact CG-CZ3 3.83Å; W339-Q344 HydrophobicContact CZ2-CG 4.22Å
340P88.3Confident90.3Very high0 Ų050 Ų500%023%0.232CC..  trans-70.3134.9172-12.925.8000112.4Y212 F334 R342 Q344 I347Y212-P340 HydrophobicContact CD2-CB 3.68Å; Y212-P340 HydrophobicContact CD2-CG 3.85Å; Y212-P340 HydrophobicContact CE2-CB 3.93Å; Y212-P340 HydrophobicContact CE2-CG 3.59Å; Y212-P340 HydrophobicContact CG-CB 4.34Å; F334-P340 HydrophobicContact CD1-CG 3.78Å; F334-P340 HydrophobicContact CD2-CG 4.12Å; F334-P340 HydrophobicContact CE1-CG 3.65Å; F334-P340 HydrophobicContact CE2-CG 4Å; F334-P340 HydrophobicContact CG-CG 4.02Å; F334-P340 HydrophobicContact CZ-CG 3.77Å; P340-R342 VanDerWaalsContact C-N 3.3Å; P340-R342 PolarHBondContact O-N 3.08Å; P340-Q344 HydrophobicContact CB-CG 4.17Å; P340-Q344 HydrophobicContact CG-CG 4.16Å; P340-Q344 PolarHBondContact O-NE2 3.16Å; P340-I347 HydrophobicContact CB-CD1 3.57Å; P340-I347 HydrophobicContact CG-CD1 4.13Å
341D87Confident90.3Very high106 Ų10648.2 Ų48.257%0.56722%0.223SC*.SBendtrans-65.2-36.1-179.9-63.3-40.8000112.1K215K215-D341 IonicContact NZ-OD1 3.38Å; K215-D341 PolarHBondContact NZ-OD1 2.82Å; K215-D341 IonicContact NZ-OD2 3.61Å
342R84.4Confident90.2Very high173 Ų17349.3 Ų49.365%0.65323%0.23SC*.SBendtrans-148167.6177.1-58.2-178.1-179.9-172.5-0.7109.6E208 P340 Q344 I347E208-R342 WeakPolarHBondContact OE2-CB 3.46Å; P340-R342 VanDerWaalsContact C-N 3.3Å; P340-R342 PolarHBondContact O-N 3.08Å; R342-Q344 PolarHBondContact O-N 3.27Å; R342-I347 WeakPolarHBondContact O-CD1 3.42Å
343G87.1Confident90.1Very high24 Ų2453.8 Ų53.825%0.24725%0.254CS..  trans66.633.8171.400000114.6E345 E346 I347G343-E345 VanDerWaalsContact C-N 3.31Å; G343-E345 PolarHBondContact O-N 3.3Å; G343-E346 PolarHBondContact O-N 2.88Å; G343-I347 WeakPolarHBondContact O-CG1 3.31Å; G343-I347 PolarHBondContact O-N 2.9Å
344Q91.3Very high90Very high57 Ų5756.5 Ų56.527%0.26627%0.267SS..Hα-helixtrans-56.6-43.1-173.5-64.679.16.900112.8F334 W339 P340 R342 F348F334-Q344 HydrophobicContact CD2-CB 4.47Å; F334-Q344 HydrophobicContact CE2-CB 4.09Å; F334-Q344 WeakPolarHBondContact CE2-O 3.39Å; W339-Q344 HydrophobicContact CZ2-CG 4.22Å; P340-Q344 HydrophobicContact CB-CG 4.17Å; P340-Q344 HydrophobicContact CG-CG 4.16Å; P340-Q344 PolarHBondContact O-NE2 3.16Å; R342-Q344 PolarHBondContact O-N 3.27Å; Q344-F348 VanDerWaalsContact O-CB 3.3Å; Q344-F348 WeakPolarHBondContact O-CB 3.39Å; Q344-F348 PolarHBondContact O-N 3.45Å
345E90.7Very high90Very high136 Ų13657.4 Ų57.464%0.63627%0.273SS*.Hα-helixtrans-69.2-40179.3-61.7-66.1-172.200112.1Q330 G343 F348 Q349Q330-E345 PolarHBondContact NE2-OE2 2.82Å; G343-E345 VanDerWaalsContact C-N 3.31Å; G343-E345 PolarHBondContact O-N 3.3Å; E345-F348 PolarHBondContact O-N 3.15Å; E345-Q349 VanDerWaalsContact O-CB 3.28Å; E345-Q349 WeakPolarHBondContact O-CB 3.36Å; E345-Q349 PolarHBondContact O-N 3.34Å
346E90.8Very high90.1Very high90 Ų9060 Ų6042%0.42129%0.285SS..Hα-helixtrans-65.5-44178.6-170.5-168.1150.600111.4T206 G343 Q349 F350T206-E346 WeakPolarHBondContact CB-OE1 3.43Å; T206-E346 WeakPolarHBondContact CG2-OE1 3.32Å; T206-E346 PolarHBondContact OG1-OE1 2.89Å; G343-E346 PolarHBondContact O-N 2.88Å; E346-Q349 PolarHBondContact O-N 3.05Å; E346-F350 PolarHBondContact O-N 3.08Å
347I93.1Very high90.6Very high2 Ų258.7 Ų58.71%0.0128%0.28CS..Hα-helixtrans-65.8-42176.8-67.8164000110.4Y212 F334 P340 R342 G343 F350 I351Y212-I347 HydrophobicContact CD1-CD1 4.33Å; Y212-I347 HydrophobicContact CD1-CG2 3.53Å; Y212-I347 HydrophobicContact CD2-CD1 4.46Å; Y212-I347 HydrophobicContact CE1-CG2 3.71Å; Y212-I347 HydrophobicContact CG-CD1 3.91Å; Y212-I347 HydrophobicContact CG-CG2 4.17Å; F334-I347 HydrophobicContact CE1-CG2 4.29Å; F334-I347 HydrophobicContact CZ-CG2 4.13Å; P340-I347 HydrophobicContact CB-CD1 3.57Å; P340-I347 HydrophobicContact CG-CD1 4.13Å; R342-I347 WeakPolarHBondContact O-CD1 3.42Å; G343-I347 WeakPolarHBondContact O-CG1 3.31Å; G343-I347 PolarHBondContact O-N 2.9Å; I347-F350 PolarHBondContact O-N 2.99Å; I347-I351 HydrophobicContact CG2-CD1 4.21Å; I347-I351 VanDerWaalsContact O-CG1 3.29Å; I347-I351 WeakPolarHBondContact O-CG1 3.39Å; I347-I351 PolarHBondContact O-N 3.23Å; I347-I351 VanDerWaalsContact O-N 3.11Å
348F94.1Very high91Very high12 Ų1258.2 Ų58.25%0.05328%0.277CS..Hα-helixtrans-65.2-41.2176.8-171.3-118.3000111.5V329 Q330 L333 F334 Q344 E345 F350 I351 L352 P381V329-F348 HydrophobicContact CB-CZ 4.47Å; V329-F348 HydrophobicContact CG1-CE2 4.33Å; Q330-F348 HydrophobicContact CB-CD1 4.16Å; Q330-F348 HydrophobicContact CB-CD2 3.88Å; Q330-F348 HydrophobicContact CB-CE1 3.92Å; Q330-F348 HydrophobicContact CB-CE2 3.65Å; Q330-F348 HydrophobicContact CB-CG 4.14Å; Q330-F348 HydrophobicContact CB-CZ 3.67Å; Q330-F348 HydrophobicContact CG-CB 4.24Å; Q330-F348 HydrophobicContact CG-CD1 4Å; Q330-F348 HydrophobicContact CG-CD2 3.76Å; Q330-F348 HydrophobicContact CG-CE1 4.3Å; Q330-F348 HydrophobicContact CG-CE2 4.08Å; Q330-F348 HydrophobicContact CG-CG 3.73Å; Q330-F348 HydrophobicContact CG-CZ 4.34Å; L333-F348 HydrophobicContact CD1-CD2 4.33Å; L333-F348 HydrophobicContact CD1-CE2 4.16Å; F334-F348 HydrophobicContact CE2-CB 4.04Å; F334-F348 HydrophobicContact CZ-CB 3.89Å; F334-F348 HydrophobicContact CZ-CD2 4.36Å; Q344-F348 VanDerWaalsContact O-CB 3.3Å; Q344-F348 WeakPolarHBondContact O-CB 3.39Å; Q344-F348 PolarHBondContact O-N 3.45Å; E345-F348 PolarHBondContact O-N 3.15Å; F348-F350 PolarHBondContact O-N 3.03Å; F348-I351 WeakPolarHBondContact O-CB 3.47Å; F348-I351 PolarHBondContact O-N 3.44Å; F348-I351 VanDerWaalsContact O-N 3.17Å; F348-L352 HydrophobicContact CD1-CD1 4.08Å; F348-L352 HydrophobicContact CE1-CD1 3.84Å; F348-L352 HydrophobicContact CE1-CD2 4.5Å; F348-L352 HydrophobicContact CE1-CG 4.31Å; F348-L352 HydrophobicContact CZ-CD1 4.42Å; F348-L352 HydrophobicContact CZ-CD2 4.28Å; F348-L352 HydrophobicContact CZ-CG 4.46Å; F348-L352 WeakPolarHBondContact O-CG 3.36Å; F348-L352 PolarHBondContact O-N 2.94Å; F348-L352 VanDerWaalsContact O-N 3.08Å; F348-P381 HydrophobicContact CE1-CB 4.44Å; F348-P381 HydrophobicContact CZ-CB 3.89Å
349Q91.8Very high91.4Very high94 Ų9458 Ų5844%0.43928%0.275SS..Hα-helixtrans-61.6-42.7175.1-171.25951.500111.6E345 E346 I351 L352 D353E345-Q349 VanDerWaalsContact O-CB 3.28Å; E345-Q349 WeakPolarHBondContact O-CB 3.36Å; E345-Q349 PolarHBondContact O-N 3.34Å; E346-Q349 PolarHBondContact O-N 3.05Å; Q349-I351 VanDerWaalsContact C-N 3.29Å; Q349-I351 PolarHBondContact O-N 3.44Å; Q349-L352 WeakPolarHBondContact O-CB 3.45Å; Q349-L352 PolarHBondContact O-N 2.92Å; Q349-L352 VanDerWaalsContact O-N 3.07Å; Q349-D353 PolarHBondContact NE2-OD1 2.99Å; Q349-D353 PolarHBondContact NE2-OD2 3.12Å; Q349-D353 VanDerWaalsContact O-CG 3.26Å; Q349-D353 PolarHBondContact O-N 3.17Å
350F92.7Very high91.8Very high29 Ų2952.2 Ų52.213%0.12725%0.253CS..Hα-helixtrans-57.1-42.9173.5179.4-83.3000112.3L205 F209 L310 E346 I347 F348 L352 D353 H354 L357L205-F350 HydrophobicContact CD2-CD2 4.23Å; L205-F350 HydrophobicContact CD2-CE2 3.32Å; L205-F350 HydrophobicContact CD2-CZ 3.57Å; F209-F350 HydrophobicContact CD2-CB 4.38Å; F209-F350 AromaticContact CD2-CD1 3.83Å; F209-F350 HydrophobicContact CD2-CD1 3.83Å; F209-F350 HydrophobicContact CD2-CD2 4.42Å; F209-F350 HydrophobicContact CD2-CE1 4.23Å; F209-F350 AromaticContact CD2-CG 3.93Å; F209-F350 HydrophobicContact CD2-CG 3.93Å; F209-F350 HydrophobicContact CE1-CE1 4.28Å; F209-F350 HydrophobicContact CE1-CZ 4.36Å; F209-F350 HydrophobicContact CE2-CB 4.46Å; F209-F350 AromaticContact CE2-CD1 3.14Å; F209-F350 HydrophobicContact CE2-CD1 3.14Å; F209-F350 HydrophobicContact CE2-CD2 4.38Å; F209-F350 AromaticContact CE2-CE1 3.31Å; F209-F350 HydrophobicContact CE2-CE1 3.31Å; F209-F350 AromaticContact CE2-CG 3.74Å; F209-F350 HydrophobicContact CE2-CG 3.74Å; F209-F350 HydrophobicContact CE2-CZ 4.03Å; F209-F350 AromaticContact CZ-CD1 3.74Å; F209-F350 HydrophobicContact CZ-CD1 3.74Å; F209-F350 AromaticContact CZ-CE1 3.34Å; F209-F350 HydrophobicContact CZ-CE1 3.34Å; F209-F350 AromaticContact CZ-CZ 3.83Å; F209-F350 HydrophobicContact CZ-CZ 3.83Å; L310-F350 HydrophobicContact CD1-CZ 4.14Å; E346-F350 PolarHBondContact O-N 3.08Å; I347-F350 PolarHBondContact O-N 2.99Å; F348-F350 PolarHBondContact O-N 3.03Å; F350-L352 VanDerWaalsContact C-N 3.27Å; F350-L352 PolarHBondContact O-N 3.4Å; F350-D353 PolarHBondContact O-N 3.44Å; F350-H354 AromaticContact CD2-CD2 3.47Å; F350-H354 VanDerWaalsContact CD2-CD2 3.47Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.41Å; F350-H354 HydrophobicContact CE1-CB 4.06Å; F350-H354 AromaticContact CE2-CD2 3.29Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.42Å; F350-H354 AromaticContact CE2-NE2 3.86Å; F350-H354 HydrophobicContact CZ-CB 4.07Å; F350-H354 AromaticContact CZ-CD2 3.71Å; F350-H354 PolarHBondContact O-N 3.4Å; F350-L357 HydrophobicContact CZ-CD1 4.24Å
351I94.1Very high92.3Very high0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-62.4-37.1177.8-67.1166000110.8L311 F313 L333 F334 I347 F348 Q349 V358 M400L311-I351 HydrophobicContact CD1-CD1 3.98Å; L311-I351 HydrophobicContact CD1-CG1 3.63Å; F313-I351 HydrophobicContact CE2-CD1 4.27Å; F313-I351 HydrophobicContact CZ-CD1 3.88Å; L333-I351 HydrophobicContact CD1-CD1 3.99Å; L333-I351 HydrophobicContact CD1-CG2 4.15Å; F334-I351 HydrophobicContact CE1-CD1 4.37Å; I347-I351 HydrophobicContact CG2-CD1 4.21Å; I347-I351 VanDerWaalsContact O-CG1 3.29Å; I347-I351 WeakPolarHBondContact O-CG1 3.39Å; I347-I351 PolarHBondContact O-N 3.23Å; I347-I351 VanDerWaalsContact O-N 3.11Å; F348-I351 WeakPolarHBondContact O-CB 3.47Å; F348-I351 PolarHBondContact O-N 3.44Å; F348-I351 VanDerWaalsContact O-N 3.17Å; Q349-I351 VanDerWaalsContact C-N 3.29Å; Q349-I351 PolarHBondContact O-N 3.44Å; I351-V358 HydrophobicContact CG2-CG2 4.27Å; I351-M400 HydrophobicContact CG2-CE 3.62Å
352L90.8Very high92.7Very high56 Ų5647.2 Ų47.229%0.29323%0.226SC..Hα-helixtrans-70-38.2175.7-64.5175.7000112.6F348 Q349 F350 P381 M400F348-L352 HydrophobicContact CD1-CD1 4.08Å; F348-L352 HydrophobicContact CE1-CD1 3.84Å; F348-L352 HydrophobicContact CE1-CD2 4.5Å; F348-L352 HydrophobicContact CE1-CG 4.31Å; F348-L352 HydrophobicContact CZ-CD1 4.42Å; F348-L352 HydrophobicContact CZ-CD2 4.28Å; F348-L352 HydrophobicContact CZ-CG 4.46Å; F348-L352 WeakPolarHBondContact O-CG 3.36Å; F348-L352 PolarHBondContact O-N 2.94Å; F348-L352 VanDerWaalsContact O-N 3.08Å; Q349-L352 WeakPolarHBondContact O-CB 3.45Å; Q349-L352 PolarHBondContact O-N 2.92Å; Q349-L352 VanDerWaalsContact O-N 3.07Å; F350-L352 VanDerWaalsContact C-N 3.27Å; F350-L352 PolarHBondContact O-N 3.4Å; L352-P381 HydrophobicContact CD2-CB 3.99Å; L352-P381 HydrophobicContact CD2-CG 3.69Å; L352-M400 HydrophobicContact CD2-CE 3.91Å; L352-M400 HydrophobicContact CD2-SD 3.58Å; L352-M400 VanDerWaalsContact CD2-SD 3.58Å
353D90.6Very high93.2Very high95 Ų9540.6 Ų40.651%0.50820%0.204SC..Hα-helixtrans-79-28.7-177.3-65.2-20.6000112.5Q349 F350 P355Q349-D353 PolarHBondContact NE2-OD1 2.99Å; Q349-D353 PolarHBondContact NE2-OD2 3.12Å; Q349-D353 VanDerWaalsContact O-CG 3.26Å; Q349-D353 PolarHBondContact O-N 3.17Å; F350-D353 PolarHBondContact O-N 3.44Å; D353-P355 WeakPolarHBondContact O-CD 3.32Å
354H92.4Very high93.5Very high56 Ų5639.7 Ų39.726%0.25919%0.194SC..  trans-124.756.1-176.6-57.6-73.5000113.8F350 H356 L357F350-H354 AromaticContact CD2-CD2 3.47Å; F350-H354 VanDerWaalsContact CD2-CD2 3.47Å; F350-H354 WeakPolarHBondContact CD2-CD2 3.41Å; F350-H354 HydrophobicContact CE1-CB 4.06Å; F350-H354 AromaticContact CE2-CD2 3.29Å; F350-H354 WeakPolarHBondContact CE2-CD2 3.42Å; F350-H354 AromaticContact CE2-NE2 3.86Å; F350-H354 HydrophobicContact CZ-CB 4.07Å; F350-H354 AromaticContact CZ-CD2 3.71Å; F350-H354 PolarHBondContact O-N 3.4Å; H354-H356 VanDerWaalsContact C-N 3.27Å; H354-H356 PolarHBondContact O-N 3.29Å; H354-L357 HydrophobicContact CB-CD1 3.95Å; H354-L357 HydrophobicContact CB-CG 4.33Å; H354-L357 PolarHBondContact O-N 2.96Å; H354-L357 VanDerWaalsContact O-N 3.14Å
355P91.8Very high93.6Very high25 Ų2537.6 Ų37.616%0.16219%0.185CC..G310 helixtrans-62.9-31.1-174.225.2-34.8000113.3D353 L357 V358 K401 G402 V403D353-P355 WeakPolarHBondContact O-CD 3.32Å; P355-L357 PolarHBondContact O-N 3.45Å; P355-L357 VanDerWaalsContact O-N 3.16Å; P355-V358 WeakPolarHBondContact O-CB 3.37Å; P355-V358 PolarHBondContact O-N 3.02Å; P355-K401 WeakPolarHBondContact CB-O 3.5Å; P355-G402 CarbonylContact C-O 3.58Å; P355-V403 HydrophobicContact CB-CG2 3.49Å; P355-V403 VanDerWaalsContact CB-CG2 3.49Å; P355-V403 VanDerWaalsContact O-CA 3.29Å; P355-V403 WeakPolarHBondContact O-CA 3.26Å
356H91.9Very high93.5Very high113 Ų11331.6 Ų31.652%0.52316%0.157SC..G310 helixtrans-64.1-17.617960.3-80.8000114.3H354 V358 G402H354-H356 VanDerWaalsContact C-N 3.27Å; H354-H356 PolarHBondContact O-N 3.29Å; H356-V358 VanDerWaalsContact C-N 3.32Å; H356-G402 WeakPolarHBondContact CA-O 3.31Å
357L95.1Very high93.4Very high29 Ų2928.1 Ų28.115%0.15214%0.141CC..G310 helixtrans-91.76.1176.8-57.3179.1000112.6F309 L310 L311 F350 H354 P355F309-L357 CarbonylContact C-O 3.56Å; F309-L357 WeakPolarHBondContact CA-O 3.46Å; L310-L357 HydrophobicContact CB-CB 4.31Å; L310-L357 HydrophobicContact CD1-CB 4.42Å; L310-L357 HydrophobicContact CD1-CD1 3.68Å; L310-L357 HydrophobicContact CG-CB 4.16Å; L310-L357 HydrophobicContact CG-CD1 4.16Å; L310-L357 PolarHBondContact N-O 3.29Å; L311-L357 PolarHBondContact N-O 3.45Å; F350-L357 HydrophobicContact CZ-CD1 4.24Å; H354-L357 HydrophobicContact CB-CD1 3.95Å; H354-L357 HydrophobicContact CB-CG 4.33Å; H354-L357 PolarHBondContact O-N 2.96Å; H354-L357 VanDerWaalsContact O-N 3.14Å; P355-L357 PolarHBondContact O-N 3.45Å; P355-L357 VanDerWaalsContact O-N 3.16Å
358V96.4Very high93.1Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-119.7136.8-172.3-173.90000110.5L311 F313 I351 P355 H356 F360 V403 R404L311-V358 HydrophobicContact CB-CG1 4.45Å; L311-V358 HydrophobicContact CB-CG2 4.43Å; L311-V358 HydrophobicContact CD1-CG2 4.48Å; L311-V358 WeakPolarHBondContact O-CA 2.99Å; F313-V358 HydrophobicContact CD2-CG1 3.94Å; F313-V358 HydrophobicContact CE2-CG1 3.91Å; I351-V358 HydrophobicContact CG2-CG2 4.27Å; P355-V358 WeakPolarHBondContact O-CB 3.37Å; P355-V358 PolarHBondContact O-N 3.02Å; H356-V358 VanDerWaalsContact C-N 3.32Å; V358-F360 HydrophobicContact CG1-CD1 3.92Å; V358-F360 HydrophobicContact CG1-CE1 3.41Å; V358-F360 VanDerWaalsContact CG1-CE1 3.41Å; V358-F360 HydrophobicContact CG1-CZ 4.17Å; V358-V403 HydrophobicContact CB-CG1 4.07Å; V358-V403 HydrophobicContact CB-CG2 4.25Å; V358-V403 HydrophobicContact CG1-CG1 3.98Å; V358-V403 WeakPolarHBondContact O-CG1 3.48Å; V358-R404 PolarHBondContact O-N 3.5Å; V358-R404 VanDerWaalsContact O-N 3.14Å
359L96.9Very high92.6Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-120.4123.4176177.659.5000110.4I266 L296 L306 F309 L311 L312 F313 T361 R404 V406I266-L359 HydrophobicContact CD1-CD1 4.36Å; I266-L359 HydrophobicContact CD1-CD2 4.16Å; L296-L359 HydrophobicContact CD2-CD2 4.13Å; L306-L359 HydrophobicContact CD1-CD2 3.98Å; F309-L359 HydrophobicContact CB-CB 4.23Å; F309-L359 HydrophobicContact CD1-CB 3.87Å; F309-L359 HydrophobicContact CD2-CB 4.4Å; F309-L359 HydrophobicContact CD2-CD2 4.36Å; F309-L359 HydrophobicContact CE1-CB 4.35Å; F309-L359 HydrophobicContact CG-CB 3.9Å; L311-L359 PolarHBondContact O-N 3.5Å; L312-L359 CarbonylContact C-O 3.44Å; L312-L359 VanDerWaalsContact CA-O 3.31Å; L312-L359 WeakPolarHBondContact CA-O 3.13Å; L312-L359 HydrophobicContact CD1-CD2 3.77Å; L312-L359 HydrophobicContact CD1-CG 4.44Å; L312-L359 HydrophobicContact CG-CB 4.26Å; L312-L359 HydrophobicContact CG-CD2 4.04Å; L312-L359 HydrophobicContact CG-CG 4.18Å; F313-L359 PolarHBondContact N-O 3.33Å; L359-T361 HydrophobicContact CD2-CG2 4.41Å; L359-T361 HydrophobicContact CG-CG2 4.13Å; L359-R404 WeakPolarHBondContact CA-O 3.38Å; L359-R404 HydrophobicContact CD1-CB 3.95Å; L359-R404 HydrophobicContact CD1-CG 3.98Å; L359-R404 WeakPolarHBondContact CD1-O 3.31Å; L359-V406 HydrophobicContact CD1-CG2 4.03Å
360F97.6Very high92.2Very high0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-101.7139.6168.3-62.3-16.4000110F313 F315 L333 V358 F362 L394 M400 V403 R404 K405 V406F313-F360 HydrophobicContact CB-CD1 3.86Å; F313-F360 HydrophobicContact CB-CE1 4.24Å; F313-F360 AromaticContact CD2-CD1 3.81Å; F313-F360 HydrophobicContact CD2-CD1 3.81Å; F313-F360 AromaticContact CD2-CE1 3.52Å; F313-F360 HydrophobicContact CD2-CE1 3.52Å; F313-F360 HydrophobicContact CE2-CE1 4.16Å; F313-F360 HydrophobicContact CG-CD1 4.2Å; F313-F360 HydrophobicContact CG-CE1 4.1Å; F315-F360 HydrophobicContact CE2-CD1 4.46Å; F315-F360 HydrophobicContact CE2-CG 4.47Å; L333-F360 HydrophobicContact CD1-CZ 4.31Å; L333-F360 HydrophobicContact CD2-CD1 4.41Å; L333-F360 HydrophobicContact CD2-CE1 3.62Å; L333-F360 HydrophobicContact CD2-CE2 4.46Å; L333-F360 HydrophobicContact CD2-CZ 3.66Å; V358-F360 HydrophobicContact CG1-CD1 3.92Å; V358-F360 HydrophobicContact CG1-CE1 3.41Å; V358-F360 VanDerWaalsContact CG1-CE1 3.41Å; V358-F360 HydrophobicContact CG1-CZ 4.17Å; F360-F362 HydrophobicContact CB-CE2 3.74Å; F360-F362 HydrophobicContact CB-CZ 4.15Å; F360-F362 HydrophobicContact CD2-CE2 4.48Å; F360-F362 HydrophobicContact CD2-CZ 4.41Å; F360-L394 HydrophobicContact CD2-CD2 4.38Å; F360-L394 HydrophobicContact CE2-CD2 4.01Å; F360-M400 HydrophobicContact CE2-CB 4.35Å; F360-M400 HydrophobicContact CE2-CG 4.34Å; F360-M400 HydrophobicContact CZ-CE 4.5Å; F360-V403 HydrophobicContact CD1-CG1 3.95Å; F360-V403 HydrophobicContact CD2-CG1 3.72Å; F360-V403 HydrophobicContact CE1-CG1 4.03Å; F360-V403 HydrophobicContact CE2-CG1 3.79Å; F360-V403 HydrophobicContact CG-CG1 3.79Å; F360-V403 HydrophobicContact CZ-CG1 3.93Å; F360-R404 PolarHBondContact N-O 3.13Å; F360-K405 HydrophobicContact CB-CG 4.21Å; F360-K405 CarbonylContact O-C 3.46Å; F360-K405 VanDerWaalsContact O-CA 3.28Å; F360-K405 WeakPolarHBondContact O-CA 3.42Å; F360-V406 PolarHBondContact O-N 2.91Å
361T97.1Very high91.6Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-126.3133.6173.266.40000110.3L293 H297 L312 F313 P314 F315 L359 V406L293-T361 HydrophobicContact CD1-CG2 4.15Å; H297-T361 PolarHBondContact CE1-OG1 2.64Å; H297-T361 PolarHBondContact NE2-OG1 3.28Å; L312-T361 HydrophobicContact CD2-CG2 4.31Å; F313-T361 PolarHBondContact O-N 3.45Å; P314-T361 WeakPolarHBondContact CA-OG1 3.26Å; F315-T361 WeakPolarHBondContact CB-O 3.41Å; F315-T361 PolarHBondContact N-O 2.9Å; L359-T361 HydrophobicContact CD2-CG2 4.41Å; L359-T361 HydrophobicContact CG-CG2 4.13Å; T361-V406 CarbonylContact C-O 3.28Å; T361-V406 WeakPolarHBondContact CA-O 3.37Å; T361-V406 HydrophobicContact CG2-CB 4.18Å
362F96.4Very high91Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-123.3110.1-177.9-63.7-80.2000109F315 F360 L391 L394 K405 V406 V407 T408F315-F362 HydrophobicContact CB-CD1 3.69Å; F315-F362 HydrophobicContact CB-CE1 3.95Å; F315-F362 HydrophobicContact CD2-CD1 4.02Å; F315-F362 AromaticContact CD2-CE1 3.52Å; F315-F362 HydrophobicContact CD2-CE1 3.52Å; F315-F362 AromaticContact CD2-CZ 3.92Å; F315-F362 HydrophobicContact CD2-CZ 3.92Å; F315-F362 HydrophobicContact CE2-CE1 4.34Å; F315-F362 HydrophobicContact CE2-CZ 4.43Å; F315-F362 HydrophobicContact CG-CD1 4.18Å; F315-F362 AromaticContact CG-CE1 3.92Å; F315-F362 HydrophobicContact CG-CE1 3.92Å; F315-F362 WeakPolarHBondContact O-CA 3.27Å; F360-F362 HydrophobicContact CB-CE2 3.74Å; F360-F362 HydrophobicContact CB-CZ 4.15Å; F360-F362 HydrophobicContact CD2-CE2 4.48Å; F360-F362 HydrophobicContact CD2-CZ 4.41Å; F362-L391 HydrophobicContact CD1-CD2 4.04Å; F362-L391 HydrophobicContact CD1-CG 4.06Å; F362-L391 HydrophobicContact CE1-CD1 4.08Å; F362-L391 HydrophobicContact CE1-CD2 4.26Å; F362-L391 HydrophobicContact CE1-CG 3.81Å; F362-L394 HydrophobicContact CZ-CD1 4.02Å; F362-K405 HydrophobicContact CE2-CG 4.35Å; F362-V406 PolarHBondContact N-O 3.18Å; F362-V407 HydrophobicContact CB-CG1 4.35Å; F362-V407 HydrophobicContact CB-CG2 4.26Å; F362-V407 HydrophobicContact CD2-CG2 4.08Å; F362-V407 CarbonylContact O-C 3.53Å; F362-V407 WeakPolarHBondContact O-CA 3.46Å; F362-T408 PolarHBondContact O-N 3.2Å
363D95.4Very high90.4Very high34 Ų3433 Ų3318%0.18218%0.176CC..EExtended strand (participates in β ladder)trans-92.5122.6179.5-162.731.3000111.5S290 L293 F315 C317 T408S290-D363 WeakPolarHBondContact CB-OD2 3.5Å; S290-D363 PolarHBondContact OG-OD1 3.21Å; S290-D363 PolarHBondContact OG-OD2 2.94Å; L293-D363 HydrophobicContact CD2-CB 3.72Å; F315-D363 PolarHBondContact O-N 2.88Å; C317-D363 VanDerWaalsContact CB-O 3.29Å; C317-D363 WeakPolarHBondContact CB-O 3.49Å; C317-D363 PolarHBondContact N-O 3.38Å; D363-T408 VanDerWaalsContact CA-OG1 3.31Å; D363-T408 WeakPolarHBondContact CA-OG1 3.45Å; D363-T408 PolarHBondContact OD1-OG1 2.79Å
364G93.1Very high89.3Confident5 Ų533 Ų335%0.05218%0.176CC..  trans8152.2171.500000114.4C317 D366 E367 T408C317-G364 WeakPolarHBondContact CB-O 3.31Å; G364-D366 PolarHBondContact O-N 3.38Å; G364-D366 VanDerWaalsContact O-N 3.12Å; G364-E367 VanDerWaalsContact O-CB 3.3Å; G364-E367 WeakPolarHBondContact O-CB 3.27Å; G364-E367 PolarHBondContact O-N 2.82Å; G364-T408 PolarHBondContact N-O 3.31Å; G364-T408 PolarHBondContact N-OG1 3.34Å
365L92.4Very high88.4Confident13 Ų1339.2 Ų39.27%0.06821%0.206CC..G310 helixtrans-55.1-32.1178.8-171.272.8000112.7E367 L368 I395 V407 T408 L418L365-E367 PolarHBondContact O-N 2.95Å; L365-L368 HydrophobicContact CD1-CD1 3.7Å; L365-L368 PolarHBondContact O-N 2.85Å; L365-I395 HydrophobicContact CD1-CD1 3.74Å; L365-I395 HydrophobicContact CD2-CD1 4.21Å; L365-V407 HydrophobicContact CB-CG1 3.79Å; L365-V407 HydrophobicContact CD1-CG1 4.42Å; L365-V407 HydrophobicContact CD2-CG1 4Å; L365-V407 HydrophobicContact CG-CG1 4.28Å; L365-T408 PolarHBondContact N-O 3Å; L365-L418 HydrophobicContact CD2-CD2 3.66Å
366D89.4Confident87.9Confident10 Ų1043.1 Ų43.15%0.05322%0.222CC..G310 helixtrans-67.1-7.8176.362.6-84.4000114.7G364 S409 R410 A413G364-D366 PolarHBondContact O-N 3.38Å; G364-D366 VanDerWaalsContact O-N 3.12Å; D366-S409 WeakPolarHBondContact OD1-CA 3.06Å; D366-R410 HydrophobicContact CB-CB 4.15Å; D366-R410 PolarHBondContact OD1-N 3.3Å; D366-R410 IonicContact OD2-CZ 3.9Å; D366-R410 VanDerWaalsContact OD2-CZ 3.22Å; D366-R410 IonicContact OD2-NE 3.34Å; D366-R410 PolarHBondContact OD2-NE 3.11Å; D366-R410 IonicContact OD2-NH2 3.89Å; D366-R410 PolarHBondContact OD2-NH2 3.3Å; D366-A413 HydrophobicContact CB-CB 3.39Å
367E88.6Confident87.5Confident18 Ų1846.8 Ų46.88%0.08423%0.231CC..G310 helixtrans-93.71.7178.2-55.6-174.3159.900113R318 N321 G364 L365 Y544R318-E367 VanDerWaalsContact CB-OE2 3.22Å; R318-E367 WeakPolarHBondContact CB-OE2 3.38Å; R318-E367 IonicContact CZ-OE1 2.64Å; R318-E367 IonicContact CZ-OE2 3.58Å; R318-E367 IonicContact NE-OE1 3.59Å; R318-E367 IonicContact NE-OE2 3.74Å; R318-E367 PolarHBondContact NE-OE2 3.12Å; R318-E367 IonicContact NH2-OE1 2.96Å; R318-E367 PolarHBondContact NH2-OE1 2.86Å; R318-E367 IonicContact NH2-OE2 2.71Å; R318-E367 PolarHBondContact NH2-OE2 2.99Å; N321-E367 PolarHBondContact ND2-O 3.32Å; G364-E367 VanDerWaalsContact O-CB 3.3Å; G364-E367 WeakPolarHBondContact O-CB 3.27Å; G364-E367 PolarHBondContact O-N 2.82Å; L365-E367 PolarHBondContact O-N 2.95Å; E367-Y544 HydrophobicContact CB-CD2 3.95Å; E367-Y544 HydrophobicContact CB-CE2 3.77Å; E367-Y544 HydrophobicContact CG-CD2 4.49Å; E367-Y544 HydrophobicContact CG-CE2 4.32Å; E367-Y544 WeakPolarHBondContact O-CE2 3.24Å
368L86.6Confident87.2Confident5 Ų545.8 Ų45.83%0.02623%0.226CC..SBendtrans-76.2142.8170.1-65.6177.1000110.9C317 N321 L365 Q370 L391 F392C317-L368 HydrophobicContact CB-CD2 4.14Å; C317-L368 HydrophobicContact CB-CG 4.19Å; N321-L368 HydrophobicContact CB-CD2 4.08Å; L365-L368 HydrophobicContact CD1-CD1 3.7Å; L365-L368 PolarHBondContact O-N 2.85Å; L368-Q370 VanDerWaalsContact C-N 3.32Å; L368-Q370 PolarHBondContact O-N 3.46Å; L368-L391 HydrophobicContact CD1-CD2 4.09Å; L368-L391 HydrophobicContact CD2-CD2 4.5Å; L368-F392 HydrophobicContact CD1-CE1 3.93Å; L368-F392 HydrophobicContact CD1-CZ 4.45Å
369K82.8Confident86.6Confident73 Ų7349.5 Ų49.532%0.31725%0.251SS..SBendtrans-62.5-40.4175.2-78.3170.1-174.1-174.60112.1N321 N541 S542 T644N321-K369 WeakPolarHBondContact OD1-CG 3.43Å; N321-K369 PolarHBondContact OD1-N 2.94Å; K369-N541 WeakPolarHBondContact CE-O 3.39Å; K369-S542 WeakPolarHBondContact CE-O 3.44Å; K369-T644 WeakPolarHBondContact O-CB 3.2Å; K369-T644 WeakPolarHBondContact O-CG2 3.4Å; K369-T644 PolarHBondContact O-OG1 3.06Å
370Q84.5Confident86.1Confident77 Ų7752.1 Ų52.136%0.3627%0.268SS..SBendtrans-89.7137.1-178.6-64.176.615.600110.8L368 H388 F392L368-Q370 VanDerWaalsContact C-N 3.32Å; L368-Q370 PolarHBondContact O-N 3.46Å; Q370-H388 HydrophobicContact CB-CB 4.28Å; Q370-F392 HydrophobicContact CB-CE2 4.35Å; Q370-F392 HydrophobicContact CB-CZ 4.33Å; Q370-F392 WeakPolarHBondContact O-CZ 3.44Å
371S79.6Confident85.7Confident66 Ų6653.3 Ų53.346%0.46228%0.276SS..PPolyproline II helixtrans-76.1150.6168.355.50000110.8A373 F392S371-A373 PolarHBondContact O-N 3.45Å; S371-F392 VanDerWaalsContact O-CE2 3.24Å; S371-F392 WeakPolarHBondContact O-CE2 3.22Å; S371-F392 WeakPolarHBondContact O-CZ 3.43Å
372F82.1Confident85.3Confident28 Ų2857.1 Ų57.112%0.12330%0.303CS..PPolyproline II helixtrans-52.8125.1175-176.8-90.1000111.6F392 I395 Q396 A417 L418 H421F372-F392 HydrophobicContact CB-CE1 4.33Å; F372-F392 HydrophobicContact CB-CZ 4.49Å; F372-F392 HydrophobicContact CD2-CB 4.04Å; F372-F392 AromaticContact CD2-CD1 3.65Å; F372-F392 HydrophobicContact CD2-CD1 3.65Å; F372-F392 HydrophobicContact CD2-CE1 4.27Å; F372-F392 AromaticContact CD2-CG 3.83Å; F372-F392 HydrophobicContact CD2-CG 3.83Å; F372-F392 HydrophobicContact CE2-CB 4.01Å; F372-F392 HydrophobicContact CE2-CD1 4.39Å; F372-F392 HydrophobicContact CE2-CG 4.32Å; F372-F392 HydrophobicContact CG-CD1 4.48Å; F372-I395 HydrophobicContact CE2-CB 4.37Å; F372-I395 HydrophobicContact CE2-CG2 3.9Å; F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 HydrophobicContact CZ-CG 3.57Å; F372-A417 HydrophobicContact CD1-CB 3.99Å; F372-A417 HydrophobicContact CE1-CB 4.18Å; F372-L418 HydrophobicContact CB-CB 4.46Å; F372-L418 HydrophobicContact CD1-CB 3.96Å; F372-L418 HydrophobicContact CD2-CD1 3.93Å; F372-L418 HydrophobicContact CE1-CB 4.33Å; F372-L418 HydrophobicContact CE2-CD1 3.91Å; F372-L418 HydrophobicContact CG-CB 4.09Å; F372-L418 HydrophobicContact CG-CD1 4.28Å; F372-L418 HydrophobicContact CZ-CD1 4.24Å; F372-H421 AromaticContact CE1-CD2 3.93Å; F372-H421 AromaticContact CZ-CD2 3.67Å
373A77Confident85.1Confident45 Ų4561.7 Ų61.737%0.37232%0.324SS..  trans-135.7141.9178.500000110.3S371S371-A373 PolarHBondContact O-N 3.45Å
374D67.4Low85.1Confident95 Ų9567.3 Ų67.351%0.50834%0.343SS..SBendtrans-100.222.2-177-164.719.1000113.1Q396 H421D374-Q396 PolarHBondContact OD1-NE2 3.49Å; D374-H421 IonicContact OD2-NE2 2.8Å
375E73.4Confident85.1Confident187 Ų18767.2 Ų67.287%0.87434%0.342SS*.SBendtrans-90-29.9-170.2-63.5-176.5178.400113.1
376Q81.7Confident85.2Confident107 Ų10768.7 Ų68.750%0.535%0.352SS..  trans-114105.2-175.9-170.8175.9300111.5V389 N393Q376-V389 HydrophobicContact CB-CG1 4.31Å; Q376-V389 HydrophobicContact CG-CG1 3.93Å; Q376-N393 PolarHBondContact O-ND2 3.02Å; Q376-N393 PolarHBondContact O-OD1 3.35Å
377R83.2Confident85.3Confident191 Ų19168.5 Ų68.572%0.72135%0.351SS*.  trans-97.3126-179.9-169173.4178.9165.32.2112.2N393R377-N393 WeakPolarHBondContact CA-OD1 3.41Å
378I89.5Confident85.4Confident7 Ų770 Ų704%0.03636%0.358CS..  trans-123.6138.8173.4-56.4-175.2000107.7Q383 A385 V389 N393 S398 L399I378-Q383 HydrophobicContact CG2-CB 4.34Å; I378-Q383 HydrophobicContact CG2-CG 4.41Å; I378-A385 HydrophobicContact CD1-CB 3.34Å; I378-V389 HydrophobicContact CD1-CG1 3.52Å; I378-V389 HydrophobicContact CG1-CG1 4.11Å; I378-N393 PolarHBondContact N-OD1 3.43Å; I378-N393 PolarHBondContact O-OD1 3.19Å; I378-S398 PolarHBondContact O-OG 2.76Å; I378-L399 HydrophobicContact CB-CD1 4.41Å; I378-L399 HydrophobicContact CG2-CD1 4.33Å; I378-L399 HydrophobicContact CG2-CD2 4.28Å; I378-L399 WeakPolarHBondContact O-CG 3.37Å
379C84.6Confident85.7Confident78 Ų7870.1 Ų70.153%0.52736%0.359SS..  trans-126.2-8.4-179.5-58.10000113.3P381 L399C379-P381 WeakPolarHBondContact O-CD 3.34Å; C379-L399 VanDerWaalsContact C-CD2 3.4Å
380C86.7Confident86.2Confident55 Ų5566.6 Ų66.637%0.37234%0.344SS..  trans-98.2115.7-176.3-171.30000110.9S382 Q383C380-S382 VanDerWaalsContact C-N 3.25Å; C380-S382 PolarHBondContact O-N 2.9Å; C380-S382 PolarHBondContact SG-OG 3.43Å; C380-Q383 HydrophobicContact CB-CB 3.9Å; C380-Q383 WeakPolarHBondContact O-CB 3.35Å; C380-Q383 PolarHBondContact O-N 3.25Å; C380-Q383 VanDerWaalsContact O-N 3.13Å
381P89.1Confident86.6Confident25 Ų2563 Ų6316%0.16233%0.327CS..THydrogen-bonded Turntrans-64.9-23-177.2-25.336.5000115.1V329 F348 L352 C379 M400V329-P381 HydrophobicContact CB-CB 4.1Å; V329-P381 WeakPolarHBondContact CB-O 3.41Å; V329-P381 HydrophobicContact CG2-CB 4.17Å; V329-P381 PolarHBondContact N-O 2.97Å; F348-P381 HydrophobicContact CE1-CB 4.44Å; F348-P381 HydrophobicContact CZ-CB 3.89Å; L352-P381 HydrophobicContact CD2-CB 3.99Å; L352-P381 HydrophobicContact CD2-CG 3.69Å; C379-P381 WeakPolarHBondContact O-CD 3.34Å; P381-M400 HydrophobicContact CB-SD 4.19Å; P381-M400 HydrophobicContact CG-SD 3.98Å
382S88.6Confident87.2Confident81 Ų8160.4 Ų60.457%0.56631%0.307SS*.THydrogen-bonded Turntrans-88.2-12.3176.957.90000113.5C380 R384C380-S382 VanDerWaalsContact C-N 3.25Å; C380-S382 PolarHBondContact O-N 2.9Å; C380-S382 PolarHBondContact SG-OG 3.43Å; S382-R384 PolarHBondContact O-N 3.01Å
383Q92Very high87.8Confident96 Ų9659.1 Ų59.145%0.44930%0.302SS..SBendtrans-69.6129.8177.2-179.6176.2-5.100109.9I378 C380I378-Q383 HydrophobicContact CG2-CB 4.34Å; I378-Q383 HydrophobicContact CG2-CG 4.41Å; C380-Q383 HydrophobicContact CB-CB 3.9Å; C380-Q383 WeakPolarHBondContact O-CB 3.35Å; C380-Q383 PolarHBondContact O-N 3.25Å; C380-Q383 VanDerWaalsContact O-N 3.13Å
384R95Very high88.6Confident152 Ų15257 Ų5757%0.57428%0.284SS*.  trans-77.7137.2173.8-71.4-171.6172.61624.2111.4D326 L327 E331 S382D326-R384 HydrophobicContact CB-CB 4.02Å; L327-R384 CarbonylContact O-C 3.32Å; L327-R384 VanDerWaalsContact O-CA 3.25Å; L327-R384 WeakPolarHBondContact O-CA 3.22Å; E331-R384 IonicContact OE1-CZ 2.8Å; E331-R384 IonicContact OE1-NE 3.91Å; E331-R384 PolarHBondContact OE1-NE 3.19Å; E331-R384 IonicContact OE1-NH2 3.43Å; E331-R384 PolarHBondContact OE1-NH2 3.43Å; E331-R384 IonicContact OE2-CZ 3.99Å; E331-R384 IonicContact OE2-NE 3.89Å; E331-R384 PolarHBondContact OE2-NE 3.39Å; E331-R384 IonicContact OE2-NH2 3.54Å; S382-R384 PolarHBondContact O-N 3.01Å
385A93.3Very high89.8Confident3 Ų352.5 Ų52.53%0.02526%0.26CS..BIsolated β-bridgetrans-152.9163.1176.400000111.1D326 L327 I378 V389 L390D326-A385 WeakPolarHBondContact CA-O 3.43Å; L327-A385 PolarHBondContact N-O 2.9Å; L327-A385 PolarHBondContact O-N 2.99Å; I378-A385 HydrophobicContact CD1-CB 3.34Å; A385-V389 HydrophobicContact CB-CB 4.4Å; A385-V389 HydrophobicContact CB-CG1 4.45Å; A385-L390 HydrophobicContact CB-CD2 4.12Å; A385-L390 HydrophobicContact CB-CG 4.23Å
386P93.5Very high90.6Very high43 Ų4345 Ų4528%0.27923%0.225SC..  trans-57.3144.8171.4-23.932.9000111.2D326 H388 V389 L390D326-P386 WeakPolarHBondContact OD1-CD 3.45Å; D326-P386 WeakPolarHBondContact OD1-CG 3.39Å; P386-H388 VanDerWaalsContact C-N 3.33Å; P386-H388 PolarHBondContact O-N 3.03Å; P386-V389 HydrophobicContact CB-CG2 4.12Å; P386-V389 HydrophobicContact CG-CG2 4.27Å; P386-V389 WeakPolarHBondContact O-CA 3.36Å; P386-V389 WeakPolarHBondContact O-CB 3.3Å; P386-V389 PolarHBondContact O-N 2.93Å; P386-L390 PolarHBondContact O-N 2.79Å; P386-L390 VanDerWaalsContact O-N 3.13Å
387V91.9Very high90.9Very high7 Ų740.7 Ų40.74%0.04221%0.21CC..Hα-helixtrans-57.5-41.9-171.4179.40000113.2L320 E323 L327 V389 L390 L391L320-V387 HydrophobicContact CB-CG1 3.67Å; L320-V387 HydrophobicContact CD1-CG1 4.34Å; L320-V387 HydrophobicContact CD2-CG1 4.12Å; L320-V387 HydrophobicContact CG-CG1 4.25Å; E323-V387 HydrophobicContact CB-CG2 4.1Å; E323-V387 HydrophobicContact CG-CG2 4.01Å; L327-V387 HydrophobicContact CD1-CG2 3.93Å; L327-V387 HydrophobicContact CG-CG2 4.2Å; V387-V389 VanDerWaalsContact C-N 3.29Å; V387-V389 PolarHBondContact O-N 2.89Å; V387-L390 PolarHBondContact O-N 3.04Å; V387-L391 HydrophobicContact CG1-CD1 3.84Å; V387-L391 VanDerWaalsContact O-CD1 3.3Å; V387-L391 WeakPolarHBondContact O-CD1 3.4Å; V387-L391 PolarHBondContact O-N 2.84Å
388H90.4Very high91.1Very high50 Ų5032.5 Ų32.523%0.23118%0.182CC..Hα-helixtrans-61.9-36.217765.9-86.1000112.4Q370 P386 L391 F392Q370-H388 HydrophobicContact CB-CB 4.28Å; P386-H388 VanDerWaalsContact C-N 3.33Å; P386-H388 PolarHBondContact O-N 3.03Å; H388-L391 PolarHBondContact O-N 3.31Å; H388-F392 HydrophobicContact CB-CE2 4.33Å; H388-F392 HydrophobicContact CB-CZ 4.27Å; H388-F392 WeakPolarHBondContact O-CB 3.48Å; H388-F392 WeakPolarHBondContact O-CD1 3.3Å; H388-F392 WeakPolarHBondContact O-CD2 3.12Å; H388-F392 WeakPolarHBondContact O-CG 3.42Å; H388-F392 PolarHBondContact O-N 3.35Å
389V92.6Very high91.2Very high6 Ų632.2 Ų32.24%0.03618%0.18CC..Hα-helixtrans-67.2-44.4176.9-1770000110.5Q376 I378 A385 P386 V387 N393Q376-V389 HydrophobicContact CB-CG1 4.31Å; Q376-V389 HydrophobicContact CG-CG1 3.93Å; I378-V389 HydrophobicContact CD1-CG1 3.52Å; I378-V389 HydrophobicContact CG1-CG1 4.11Å; A385-V389 HydrophobicContact CB-CB 4.4Å; A385-V389 HydrophobicContact CB-CG1 4.45Å; P386-V389 HydrophobicContact CB-CG2 4.12Å; P386-V389 HydrophobicContact CG-CG2 4.27Å; P386-V389 WeakPolarHBondContact O-CA 3.36Å; P386-V389 WeakPolarHBondContact O-CB 3.3Å; P386-V389 PolarHBondContact O-N 2.93Å; V387-V389 VanDerWaalsContact C-N 3.29Å; V387-V389 PolarHBondContact O-N 2.89Å; V389-N393 WeakPolarHBondContact O-CB 3.25Å; V389-N393 PolarHBondContact O-N 3.4Å; V389-N393 VanDerWaalsContact O-N 3.08Å; V389-N393 PolarHBondContact O-ND2 3.36Å
390L93.8Very high91.5Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-58.5-49.2174.4-73.1-177.4000111.4L327 V329 A385 P386 V387 F392 N393 L394 L399L327-L390 HydrophobicContact CB-CD1 4.07Å; L327-L390 VanDerWaalsContact O-CD1 3.28Å; L327-L390 WeakPolarHBondContact O-CD1 3.47Å; V329-L390 HydrophobicContact CG2-CD2 4.36Å; A385-L390 HydrophobicContact CB-CD2 4.12Å; A385-L390 HydrophobicContact CB-CG 4.23Å; P386-L390 PolarHBondContact O-N 2.79Å; P386-L390 VanDerWaalsContact O-N 3.13Å; V387-L390 PolarHBondContact O-N 3.04Å; L390-F392 PolarHBondContact O-N 3.45Å; L390-N393 PolarHBondContact O-N 3.36Å; L390-L394 WeakPolarHBondContact O-CB 3.32Å; L390-L394 VanDerWaalsContact O-CG 3.28Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 3.07Å; L390-L399 HydrophobicContact CD2-CD1 3.79Å
391L93.5Very high91.6Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-61.4-45.2-177.9-95.563.7000111.7L320 L332 F362 L368 V387 H388 N393 L394 I395L320-L391 HydrophobicContact CD1-CD1 3.91Å; L320-L391 HydrophobicContact CD1-CD2 3.91Å; L320-L391 HydrophobicContact CD1-CG 4.47Å; L332-L391 HydrophobicContact CD2-CD1 4.28Å; F362-L391 HydrophobicContact CD1-CD2 4.04Å; F362-L391 HydrophobicContact CD1-CG 4.06Å; F362-L391 HydrophobicContact CE1-CD1 4.08Å; F362-L391 HydrophobicContact CE1-CD2 4.26Å; F362-L391 HydrophobicContact CE1-CG 3.81Å; L368-L391 HydrophobicContact CD1-CD2 4.09Å; L368-L391 HydrophobicContact CD2-CD2 4.5Å; V387-L391 HydrophobicContact CG1-CD1 3.84Å; V387-L391 VanDerWaalsContact O-CD1 3.3Å; V387-L391 WeakPolarHBondContact O-CD1 3.4Å; V387-L391 PolarHBondContact O-N 2.84Å; H388-L391 PolarHBondContact O-N 3.31Å; L391-N393 VanDerWaalsContact C-N 3.34Å; L391-N393 PolarHBondContact O-N 2.78Å; L391-L394 PolarHBondContact O-N 3.39Å; L391-I395 WeakPolarHBondContact O-CB 3.49Å; L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.22Å; L391-I395 PolarHBondContact O-N 2.96Å
392F92.9Very high91.5Very high12 Ų1233.5 Ų33.55%0.05318%0.176CC..Hα-helixtrans-63.5-41.3178.3-61.6-14.5000111.4L368 Q370 S371 F372 H388 L390 L394 I395 Q396L368-F392 HydrophobicContact CD1-CE1 3.93Å; L368-F392 HydrophobicContact CD1-CZ 4.45Å; Q370-F392 HydrophobicContact CB-CE2 4.35Å; Q370-F392 HydrophobicContact CB-CZ 4.33Å; Q370-F392 WeakPolarHBondContact O-CZ 3.44Å; S371-F392 VanDerWaalsContact O-CE2 3.24Å; S371-F392 WeakPolarHBondContact O-CE2 3.22Å; S371-F392 WeakPolarHBondContact O-CZ 3.43Å; F372-F392 HydrophobicContact CB-CE1 4.33Å; F372-F392 HydrophobicContact CB-CZ 4.49Å; F372-F392 HydrophobicContact CD2-CB 4.04Å; F372-F392 AromaticContact CD2-CD1 3.65Å; F372-F392 HydrophobicContact CD2-CD1 3.65Å; F372-F392 HydrophobicContact CD2-CE1 4.27Å; F372-F392 AromaticContact CD2-CG 3.83Å; F372-F392 HydrophobicContact CD2-CG 3.83Å; F372-F392 HydrophobicContact CE2-CB 4.01Å; F372-F392 HydrophobicContact CE2-CD1 4.39Å; F372-F392 HydrophobicContact CE2-CG 4.32Å; F372-F392 HydrophobicContact CG-CD1 4.48Å; H388-F392 HydrophobicContact CB-CE2 4.33Å; H388-F392 HydrophobicContact CB-CZ 4.27Å; H388-F392 WeakPolarHBondContact O-CB 3.48Å; H388-F392 WeakPolarHBondContact O-CD1 3.3Å; H388-F392 WeakPolarHBondContact O-CD2 3.12Å; H388-F392 WeakPolarHBondContact O-CG 3.42Å; H388-F392 PolarHBondContact O-N 3.35Å; L390-F392 PolarHBondContact O-N 3.45Å; F392-L394 PolarHBondContact O-N 3.31Å; F392-I395 PolarHBondContact O-N 3.45Å; F392-Q396 WeakPolarHBondContact O-CB 3.28Å; F392-Q396 WeakPolarHBondContact O-CG 3.47Å; F392-Q396 PolarHBondContact O-N 3.15Å
393N93.2Very high91.8Very high2 Ų229.7 Ų29.71%0.01115%0.149CC..Hα-helixtrans-68.5-32.9176.7-80.9-86.2000113.3Q376 R377 I378 V389 L390 L391 G397 S398 L399Q376-N393 PolarHBondContact O-ND2 3.02Å; Q376-N393 PolarHBondContact O-OD1 3.35Å; R377-N393 WeakPolarHBondContact CA-OD1 3.41Å; I378-N393 PolarHBondContact N-OD1 3.43Å; I378-N393 PolarHBondContact O-OD1 3.19Å; V389-N393 WeakPolarHBondContact O-CB 3.25Å; V389-N393 PolarHBondContact O-N 3.4Å; V389-N393 VanDerWaalsContact O-N 3.08Å; V389-N393 PolarHBondContact O-ND2 3.36Å; L390-N393 PolarHBondContact O-N 3.36Å; L391-N393 VanDerWaalsContact C-N 3.34Å; L391-N393 PolarHBondContact O-N 2.78Å; N393-G397 PolarHBondContact O-N 3.16Å; N393-G397 VanDerWaalsContact O-N 3.11Å; N393-S398 WeakPolarHBondContact CA-OG 3.24Å; N393-S398 WeakPolarHBondContact CB-OG 3.38Å; N393-S398 VanDerWaalsContact CG-OG 3.27Å; N393-S398 PolarHBondContact O-N 2.98Å; N393-S398 PolarHBondContact O-OG 3.36Å; N393-S398 PolarHBondContact OD1-OG 2.67Å; N393-L399 HydrophobicContact CB-CB 4.28Å; N393-L399 HydrophobicContact CB-CD1 3.67Å; N393-L399 HydrophobicContact CB-CG 3.88Å; N393-L399 PolarHBondContact O-N 2.73Å; N393-L399 VanDerWaalsContact O-N 3.1Å
394L94.3Very high91.9Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-66.3-42.2171.9-73.9168.4000111.8L332 F360 F362 L390 L391 F392 G397 L399 M400 K405L332-L394 HydrophobicContact CD2-CD1 4.07Å; F360-L394 HydrophobicContact CD2-CD2 4.38Å; F360-L394 HydrophobicContact CE2-CD2 4.01Å; F362-L394 HydrophobicContact CZ-CD1 4.02Å; L390-L394 WeakPolarHBondContact O-CB 3.32Å; L390-L394 VanDerWaalsContact O-CG 3.28Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 3.07Å; L391-L394 PolarHBondContact O-N 3.39Å; F392-L394 PolarHBondContact O-N 3.31Å; L394-G397 PolarHBondContact O-N 2.87Å; L394-L399 HydrophobicContact CD2-CB 3.79Å; L394-L399 HydrophobicContact CG-CB 4.16Å; L394-M400 HydrophobicContact CD2-CB 3.71Å; L394-M400 HydrophobicContact CD2-CG 3.54Å; L394-K405 WeakPolarHBondContact O-CE 3.48Å; L394-K405 PolarHBondContact O-NZ 3.16Å
395I92.6Very high92Very high1 Ų120.3 Ų20.31%0.00511%0.109CC..Hα-helixtrans-67.1-39.7177.7-72.8169.2000111.3T278 L365 F372 L391 F392 G397 V407 L418T278-I395 HydrophobicContact CG2-CG2 4.24Å; T278-I395 PolarHBondContact OG1-O 2.91Å; L365-I395 HydrophobicContact CD1-CD1 3.74Å; L365-I395 HydrophobicContact CD2-CD1 4.21Å; F372-I395 HydrophobicContact CE2-CB 4.37Å; F372-I395 HydrophobicContact CE2-CG2 3.9Å; L391-I395 WeakPolarHBondContact O-CB 3.49Å; L391-I395 VanDerWaalsContact O-CG1 3.27Å; L391-I395 WeakPolarHBondContact O-CG1 3.22Å; L391-I395 PolarHBondContact O-N 2.96Å; F392-I395 PolarHBondContact O-N 3.45Å; I395-G397 VanDerWaalsContact C-N 3.27Å; I395-G397 PolarHBondContact O-N 3.26Å; I395-V407 HydrophobicContact CD1-CG2 4.3Å; I395-V407 HydrophobicContact CG1-CG2 4.17Å; I395-L418 HydrophobicContact CG2-CD1 3.39Å
396Q89.6Confident92.2Very high28 Ų2820.1 Ų20.113%0.13111%0.108CC..Hα-helixtrans-68-25.1175.8-74172.3-9.400113.5F372 D374 F392F372-Q396 HydrophobicContact CE2-CG 4Å; F372-Q396 HydrophobicContact CZ-CG 3.57Å; D374-Q396 PolarHBondContact OD1-NE2 3.49Å; F392-Q396 WeakPolarHBondContact O-CB 3.28Å; F392-Q396 WeakPolarHBondContact O-CG 3.47Å; F392-Q396 PolarHBondContact O-N 3.15Å
397G88.3Confident92.3Very high18 Ų1818.2 Ų18.219%0.18610%0.096CC..THydrogen-bonded Turntrans80.614.4-172.100000114.2N393 L394 I395N393-G397 PolarHBondContact O-N 3.16Å; N393-G397 VanDerWaalsContact O-N 3.11Å; L394-G397 PolarHBondContact O-N 2.87Å; I395-G397 VanDerWaalsContact C-N 3.27Å; I395-G397 PolarHBondContact O-N 3.26Å
398S88.4Confident92.5Very high19 Ų1917.9 Ų17.913%0.1339%0.093CC..SBendtrans-73.5-31.816849.70000111.7I378 N393I378-S398 PolarHBondContact O-OG 2.76Å; N393-S398 WeakPolarHBondContact CA-OG 3.24Å; N393-S398 WeakPolarHBondContact CB-OG 3.38Å; N393-S398 VanDerWaalsContact CG-OG 3.27Å; N393-S398 PolarHBondContact O-N 2.98Å; N393-S398 PolarHBondContact O-OG 3.36Å; N393-S398 PolarHBondContact OD1-OG 2.67Å
399L90.6Very high92.7Very high0 Ų015.5 Ų15.50%08%0.082CC..SBendtrans-105139.7166.6-74.3172.8000110.6V329 I378 C379 L390 N393 L394 K401V329-L399 HydrophobicContact CG2-CD1 4.24Å; I378-L399 HydrophobicContact CB-CD1 4.41Å; I378-L399 HydrophobicContact CG2-CD1 4.33Å; I378-L399 HydrophobicContact CG2-CD2 4.28Å; I378-L399 WeakPolarHBondContact O-CG 3.37Å; C379-L399 VanDerWaalsContact C-CD2 3.4Å; L390-L399 HydrophobicContact CD2-CD1 3.79Å; N393-L399 HydrophobicContact CB-CB 4.28Å; N393-L399 HydrophobicContact CB-CD1 3.67Å; N393-L399 HydrophobicContact CB-CG 3.88Å; N393-L399 PolarHBondContact O-N 2.73Å; N393-L399 VanDerWaalsContact O-N 3.1Å; L394-L399 HydrophobicContact CD2-CB 3.79Å; L394-L399 HydrophobicContact CG-CB 4.16Å; L399-K401 PolarHBondContact O-N 2.8Å
400M90.9Very high92.5Very high16 Ų1615.5 Ų15.58%0.0798%0.082CC..SBendtrans5250.6173.3-53.4-61.5-70.100112.9V329 I351 L352 F360 P381 L394 V403 K405V329-M400 HydrophobicContact CG1-CG 4.03Å; V329-M400 HydrophobicContact CG1-SD 4.18Å; I351-M400 HydrophobicContact CG2-CE 3.62Å; L352-M400 HydrophobicContact CD2-CE 3.91Å; L352-M400 HydrophobicContact CD2-SD 3.58Å; L352-M400 VanDerWaalsContact CD2-SD 3.58Å; F360-M400 HydrophobicContact CE2-CB 4.35Å; F360-M400 HydrophobicContact CE2-CG 4.34Å; F360-M400 HydrophobicContact CZ-CE 4.5Å; P381-M400 HydrophobicContact CB-SD 4.19Å; P381-M400 HydrophobicContact CG-SD 3.98Å; L394-M400 HydrophobicContact CD2-CB 3.71Å; L394-M400 HydrophobicContact CD2-CG 3.54Å; M400-V403 HydrophobicContact CB-CB 4.34Å; M400-V403 HydrophobicContact CB-CG2 3.87Å; M400-V403 HydrophobicContact CE-CG2 4.16Å; M400-V403 WeakPolarHBondContact O-CB 3.41Å; M400-V403 PolarHBondContact O-N 3.39Å; M400-K405 PolarHBondContact O-NZ 3.14Å
401K88.3Confident92.1Very high144 Ų14417.7 Ų17.763%0.62610%0.096SC*.THydrogen-bonded Turntrans-60.2139.2175.7-169.2173.7-178.7179.60110.5P355 L399 V403P355-K401 WeakPolarHBondContact CB-O 3.5Å; L399-K401 PolarHBondContact O-N 2.8Å; K401-V403 VanDerWaalsContact C-N 3.3Å
402G88.3Confident91.4Very high26 Ų2622 Ų2227%0.26812%0.116SC..THydrogen-bonded Turntrans88.7-15.6-177.100000114.4D277 P355 H356D277-G402 PolarHBondContact OD2-N 3.19Å; P355-G402 CarbonylContact C-O 3.58Å; H356-G402 WeakPolarHBondContact CA-O 3.31Å
403V94.7Very high90.9Very high0 Ų022.9 Ų22.90%013%0.126CC..  trans-71.3128.7167.4177.30000108.2D277 P355 V358 F360 M400 K401 K405D277-V403 VanDerWaalsContact CB-O 3.24Å; D277-V403 WeakPolarHBondContact CB-O 3.42Å; P355-V403 HydrophobicContact CB-CG2 3.49Å; P355-V403 VanDerWaalsContact CB-CG2 3.49Å; P355-V403 VanDerWaalsContact O-CA 3.29Å; P355-V403 WeakPolarHBondContact O-CA 3.26Å; V358-V403 HydrophobicContact CB-CG1 4.07Å; V358-V403 HydrophobicContact CB-CG2 4.25Å; V358-V403 HydrophobicContact CG1-CG1 3.98Å; V358-V403 WeakPolarHBondContact O-CG1 3.48Å; F360-V403 HydrophobicContact CD1-CG1 3.95Å; F360-V403 HydrophobicContact CD2-CG1 3.72Å; F360-V403 HydrophobicContact CE1-CG1 4.03Å; F360-V403 HydrophobicContact CE2-CG1 3.79Å; F360-V403 HydrophobicContact CG-CG1 3.79Å; F360-V403 HydrophobicContact CZ-CG1 3.93Å; M400-V403 HydrophobicContact CB-CB 4.34Å; M400-V403 HydrophobicContact CB-CG2 3.87Å; M400-V403 HydrophobicContact CE-CG2 4.16Å; M400-V403 WeakPolarHBondContact O-CB 3.41Å; M400-V403 PolarHBondContact O-N 3.39Å; K401-V403 VanDerWaalsContact C-N 3.3Å; V403-K405 WeakPolarHBondContact O-CD 3.43Å; V403-K405 WeakPolarHBondContact O-CE 3.23Å; V403-K405 PolarHBondContact O-NZ 3.12Å
404R94.9Very high90.4Very high51 Ų5123.4 Ų23.419%0.19213%0.129CC..EExtended strand (participates in β ladder)trans-74.6139.9176.4-169.263.754.7-173-3.4109.5I266 D277 F309 V358 L359 F360 H423I266-R404 HydrophobicContact CG2-CG 3.73Å; D277-R404 WeakPolarHBondContact O-CD 3.22Å; F309-R404 HydrophobicContact CE1-CB 3.63Å; F309-R404 HydrophobicContact CE1-CG 4.37Å; F309-R404 HydrophobicContact CZ-CB 3.75Å; F309-R404 HydrophobicContact CZ-CG 3.96Å; V358-R404 PolarHBondContact O-N 3.5Å; V358-R404 VanDerWaalsContact O-N 3.14Å; L359-R404 WeakPolarHBondContact CA-O 3.38Å; L359-R404 HydrophobicContact CD1-CB 3.95Å; L359-R404 HydrophobicContact CD1-CG 3.98Å; L359-R404 WeakPolarHBondContact CD1-O 3.31Å; F360-R404 PolarHBondContact N-O 3.13Å; R404-H423 PolarHBondContact NH1-CD2 2.95Å
405K95.9Very high89.9Confident0 Ų024.9 Ų24.90%014%0.144CC..EExtended strand (participates in β ladder)trans-122.9134.1176.6-59.297.4-173.81730111.1D277 T278 V279 F360 F362 L394 M400 V403D277-K405 HydrophobicContact CB-CD 4.03Å; D277-K405 PolarHBondContact O-N 3.36Å; D277-K405 IonicContact OD2-NZ 3.9Å; T278-K405 HydrophobicContact CG2-CB 4.3Å; V279-K405 PolarHBondContact N-O 3.36Å; F360-K405 HydrophobicContact CB-CG 4.21Å; F360-K405 CarbonylContact O-C 3.46Å; F360-K405 VanDerWaalsContact O-CA 3.28Å; F360-K405 WeakPolarHBondContact O-CA 3.42Å; F362-K405 HydrophobicContact CE2-CG 4.35Å; L394-K405 WeakPolarHBondContact O-CE 3.48Å; L394-K405 PolarHBondContact O-NZ 3.16Å; M400-K405 PolarHBondContact O-NZ 3.14Å; V403-K405 WeakPolarHBondContact O-CD 3.43Å; V403-K405 WeakPolarHBondContact O-CE 3.23Å; V403-K405 PolarHBondContact O-NZ 3.12Å
406V96.8Very high89.5Confident0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-115.3116.5168.5178.40000108.5I266 V279 W292 L293 L359 F360 T361 F362I266-V406 HydrophobicContact CD1-CG2 4.31Å; V279-V406 HydrophobicContact CB-CG2 4.36Å; V279-V406 CarbonylContact O-C 3.53Å; V279-V406 WeakPolarHBondContact O-CA 3.4Å; W292-V406 HydrophobicContact CH2-CG1 4.01Å; W292-V406 HydrophobicContact CZ3-CG1 3.82Å; L293-V406 HydrophobicContact CD1-CB 4.33Å; L293-V406 HydrophobicContact CD1-CG1 3.66Å; L359-V406 HydrophobicContact CD1-CG2 4.03Å; F360-V406 PolarHBondContact O-N 2.91Å; T361-V406 CarbonylContact C-O 3.28Å; T361-V406 WeakPolarHBondContact CA-O 3.37Å; T361-V406 HydrophobicContact CG2-CB 4.18Å; F362-V406 PolarHBondContact N-O 3.18Å
407V96.7Very high89.3Confident2 Ų230.6 Ų30.61%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-115.9133-175.2-176.90000108.9T278 V279 L280 A281 F362 L365 I395T278-V407 HydrophobicContact CG2-CB 4.44Å; T278-V407 HydrophobicContact CG2-CG2 3.69Å; V279-V407 PolarHBondContact O-N 2.77Å; L280-V407 CarbonylContact C-O 3.59Å; L280-V407 WeakPolarHBondContact CA-O 3.25Å; L280-V407 HydrophobicContact CD1-CB 4.32Å; L280-V407 HydrophobicContact CD1-CG1 4.27Å; A281-V407 PolarHBondContact N-O 2.86Å; F362-V407 HydrophobicContact CB-CG1 4.35Å; F362-V407 HydrophobicContact CB-CG2 4.26Å; F362-V407 HydrophobicContact CD2-CG2 4.08Å; F362-V407 CarbonylContact O-C 3.53Å; F362-V407 WeakPolarHBondContact O-CA 3.46Å; L365-V407 HydrophobicContact CB-CG1 3.79Å; L365-V407 HydrophobicContact CD1-CG1 4.42Å; L365-V407 HydrophobicContact CD2-CG1 4Å; L365-V407 HydrophobicContact CG-CG1 4.28Å; I395-V407 HydrophobicContact CD1-CG2 4.3Å; I395-V407 HydrophobicContact CG1-CG2 4.17Å
408T96.1Very high89.4Confident0 Ų029.9 Ų29.90%018%0.179CC..EExtended strand (participates in β ladder)trans-102.8142.1170.6740000110.2A281 K289 L293 F362 D363 G364 L365A281-T408 HydrophobicContact CB-CG2 4.34Å; A281-T408 VanDerWaalsContact O-CA 3.3Å; A281-T408 WeakPolarHBondContact O-CA 3.47Å; K289-T408 HydrophobicContact CB-CG2 4.29Å; L293-T408 HydrophobicContact CB-CG2 4.32Å; L293-T408 HydrophobicContact CD1-CG2 4.31Å; L293-T408 HydrophobicContact CD2-CG2 4.11Å; L293-T408 HydrophobicContact CG-CG2 4.49Å; F362-T408 PolarHBondContact O-N 3.2Å; D363-T408 VanDerWaalsContact CA-OG1 3.31Å; D363-T408 WeakPolarHBondContact CA-OG1 3.45Å; D363-T408 PolarHBondContact OD1-OG1 2.79Å; G364-T408 PolarHBondContact N-O 3.31Å; G364-T408 PolarHBondContact N-OG1 3.34Å; L365-T408 PolarHBondContact N-O 3Å
409S94Very high89.4Confident0 Ų033.3 Ų33.30%019%0.192CC..EExtended strand (participates in β ladder)trans-157.1159.7177.1-163.80000112.2A281 S282 G283 K289 D366A281-S409 PolarHBondContact O-N 3.33Å; A281-S409 VanDerWaalsContact O-N 3.13Å; S282-S409 VanDerWaalsContact CA-O 3.26Å; S282-S409 WeakPolarHBondContact CA-O 3.34Å; G283-S409 PolarHBondContact N-O 3.12Å; G283-S409 VanDerWaalsContact N-O 3.16Å; K289-S409 WeakPolarHBondContact CD-O 3.48Å; D366-S409 WeakPolarHBondContact OD1-CA 3.06Å
410R89.8Confident89.3Confident6 Ų640.6 Ų40.62%0.02322%0.223CC..  trans-73.9144162.4-78.5-172.7-70.4-172.4-1.6111.6D366 E412 A413 V414 N650D366-R410 HydrophobicContact CB-CB 4.15Å; D366-R410 PolarHBondContact OD1-N 3.3Å; D366-R410 IonicContact OD2-CZ 3.9Å; D366-R410 VanDerWaalsContact OD2-CZ 3.22Å; D366-R410 IonicContact OD2-NE 3.34Å; D366-R410 PolarHBondContact OD2-NE 3.11Å; D366-R410 IonicContact OD2-NH2 3.89Å; D366-R410 PolarHBondContact OD2-NH2 3.3Å; R410-E412 WeakPolarHBondContact CB-OE2 3.21Å; R410-E412 PolarHBondContact O-N 3.41Å; R410-E412 VanDerWaalsContact O-N 3.16Å; R410-A413 PolarHBondContact O-N 2.84Å; R410-A413 VanDerWaalsContact O-N 3.14Å; R410-V414 WeakPolarHBondContact O-CG2 3.48Å; R410-N650 PolarHBondContact NH1-OD1 3.28Å; R410-N650 PolarHBondContact NH2-OD1 2.88Å
411P84.6Confident89.2Confident46 Ų4641.7 Ų41.730%0.29923%0.228SC..G310 helixtrans-55.2-34.6-177.9-25.434.5000114A413 V414P411-A413 VanDerWaalsContact C-N 3.28Å; P411-A413 PolarHBondContact O-N 3.32Å; P411-V414 PolarHBondContact O-N 3.36Å; P411-V414 VanDerWaalsContact O-N 3.13Å
412E79.5Confident89.4Confident90 Ų9035.2 Ų35.242%0.42120%0.2SC..G310 helixtrans-67-27.9-177.5-59.687.4165.200113.2R410 V414 P649R410-E412 WeakPolarHBondContact CB-OE2 3.21Å; R410-E412 PolarHBondContact O-N 3.41Å; R410-E412 VanDerWaalsContact O-N 3.16Å; E412-V414 VanDerWaalsContact C-N 3.3Å; E412-P649 HydrophobicContact CB-CG 3.97Å; E412-P649 HydrophobicContact CG-CG 4.33Å
413A81.4Confident89.5Confident32 Ų3234.5 Ų34.526%0.26419%0.19SC..G310 helixtrans-83.5-8177.300000112.8D366 R410 P411 G415D366-A413 HydrophobicContact CB-CB 3.39Å; R410-A413 PolarHBondContact O-N 2.84Å; R410-A413 VanDerWaalsContact O-N 3.14Å; P411-A413 VanDerWaalsContact C-N 3.28Å; P411-A413 PolarHBondContact O-N 3.32Å; A413-G415 PolarHBondContact O-N 3.06Å
414V83.9Confident89.3Confident13 Ų1334.5 Ų34.58%0.07919%0.19CC..  trans-94.284.3-175.7-176.80000109.5L280 R410 P411 E412 L418 K419L280-V414 HydrophobicContact CD1-CG2 4.33Å; L280-V414 HydrophobicContact CD2-CB 4.24Å; L280-V414 HydrophobicContact CD2-CG1 3.48Å; L280-V414 VanDerWaalsContact CD2-CG1 3.48Å; L280-V414 HydrophobicContact CD2-CG2 3.7Å; R410-V414 WeakPolarHBondContact O-CG2 3.48Å; P411-V414 PolarHBondContact O-N 3.36Å; P411-V414 VanDerWaalsContact O-N 3.13Å; E412-V414 VanDerWaalsContact C-N 3.3Å; V414-L418 HydrophobicContact CG1-CD2 4.14Å; V414-L418 HydrophobicContact CG2-CD2 4.47Å; V414-K419 HydrophobicContact CG1-CG 3.89Å
415G82.2Confident89.1Confident30 Ų3033 Ų3331%0.30919%0.185SC..  trans-72.1163.817700000113.9A413 A417 L418 K419A413-G415 PolarHBondContact O-N 3.06Å; G415-A417 PolarHBondContact O-N 3.28Å; G415-A417 VanDerWaalsContact O-N 3.12Å; G415-L418 PolarHBondContact O-N 3.43Å; G415-L418 VanDerWaalsContact O-N 3.11Å; G415-K419 PolarHBondContact O-N 3.1Å
416P84.6Confident88.8Confident108 Ų10833 Ų3370%0.70119%0.185SC*.Hα-helixtrans-58.1-26.3177-24.733.8000114.4
417A86.3Confident88.3Confident41 Ų4135.2 Ų35.234%0.33920%0.196SC..Hα-helixtrans-63.9-46.8175.800000111.5F372 G415 K420 H421F372-A417 HydrophobicContact CD1-CB 3.99Å; F372-A417 HydrophobicContact CE1-CB 4.18Å; G415-A417 PolarHBondContact O-N 3.28Å; G415-A417 VanDerWaalsContact O-N 3.12Å; A417-K420 PolarHBondContact O-N 3.24Å; A417-H421 PolarHBondContact O-CD2 3.35Å; A417-H421 VanDerWaalsContact O-CD2 3.3Å
418L88.9Confident87.9Confident3 Ų335.3 Ų35.32%0.01620%0.196CC..Hα-helixtrans-64.7-41.7178.217757.4000111.5L365 F372 I395 V414 G415 K420 H421 L422L365-L418 HydrophobicContact CD2-CD2 3.66Å; F372-L418 HydrophobicContact CB-CB 4.46Å; F372-L418 HydrophobicContact CD1-CB 3.96Å; F372-L418 HydrophobicContact CD2-CD1 3.93Å; F372-L418 HydrophobicContact CE1-CB 4.33Å; F372-L418 HydrophobicContact CE2-CD1 3.91Å; F372-L418 HydrophobicContact CG-CB 4.09Å; F372-L418 HydrophobicContact CG-CD1 4.28Å; F372-L418 HydrophobicContact CZ-CD1 4.24Å; I395-L418 HydrophobicContact CG2-CD1 3.39Å; V414-L418 HydrophobicContact CG1-CD2 4.14Å; V414-L418 HydrophobicContact CG2-CD2 4.47Å; G415-L418 PolarHBondContact O-N 3.43Å; G415-L418 VanDerWaalsContact O-N 3.11Å; L418-K420 PolarHBondContact O-N 3.28Å; L418-H421 PolarHBondContact O-N 3.02Å; L418-L422 HydrophobicContact CD1-CD2 4.24Å; L418-L422 HydrophobicContact CG-CD2 4.33Å
419K88.7Confident87.1Confident91 Ų9138 Ų3840%0.39621%0.207SC..Hα-helixtrans-56.6-26.7-177.3-68.3-162.1176.3-131.30114.2V414 G415 H421 L422 E425V414-K419 HydrophobicContact CG1-CG 3.89Å; G415-K419 PolarHBondContact O-N 3.1Å; K419-H421 VanDerWaalsContact C-N 3.26Å; K419-H421 PolarHBondContact O-N 2.79Å; K419-L422 HydrophobicContact CB-CD1 4.46Å; K419-L422 HydrophobicContact CG-CD1 4.28Å; K419-L422 PolarHBondContact O-N 2.96Å; K419-E425 VanDerWaalsContact NZ-CD 3.3Å; K419-E425 IonicContact NZ-OE1 3Å; K419-E425 PolarHBondContact NZ-OE1 3.46Å; K419-E425 IonicContact NZ-OE2 2.96Å; K419-E425 PolarHBondContact NZ-OE2 2.84Å
420K88.1Confident86.7Confident154 Ų15438 Ų3867%0.6721%0.207SC*.THydrogen-bonded Turntrans-67.6-25.4177.4-64.2174.2-175.6-179.20113.5N273 A417 L418N273-K420 PolarHBondContact ND2-O 3.29Å; A417-K420 PolarHBondContact O-N 3.24Å; L418-K420 PolarHBondContact O-N 3.28Å
421H89.4Confident86.6Confident39 Ų3938.1 Ų38.118%0.18121%0.208CC..THydrogen-bonded Turntrans-100.89.8-177.2-56.6-79.2000112.8A276 F372 D374 A417 L418 K419A276-H421 WeakPolarHBondContact CB-O 3.44Å; F372-H421 AromaticContact CE1-CD2 3.93Å; F372-H421 AromaticContact CZ-CD2 3.67Å; D374-H421 IonicContact OD2-NE2 2.8Å; A417-H421 PolarHBondContact O-CD2 3.35Å; A417-H421 VanDerWaalsContact O-CD2 3.3Å; L418-H421 PolarHBondContact O-N 3.02Å; K419-H421 VanDerWaalsContact C-N 3.26Å; K419-H421 PolarHBondContact O-N 2.79Å
422L92.4Very high86.6Confident7 Ų736.7 Ų36.74%0.03720%0.199CC..EExtended strand (participates in β ladder)trans-90.8127.1-179.7-59-178000110.5N273 T278 L280 L418 K419 K424 E425N273-L422 WeakPolarHBondContact CB-O 3.35Å; T278-L422 HydrophobicContact CG2-CD2 3.91Å; T278-L422 CarbonylContact O-C 3.56Å; T278-L422 WeakPolarHBondContact O-CA 3.43Å; L280-L422 HydrophobicContact CB-CD1 3.83Å; L280-L422 HydrophobicContact CB-CD2 3.82Å; L280-L422 HydrophobicContact CB-CG 4.42Å; L280-L422 HydrophobicContact CD2-CD1 3.55Å; L280-L422 HydrophobicContact CG-CD1 4.35Å; L418-L422 HydrophobicContact CD1-CD2 4.24Å; L418-L422 HydrophobicContact CG-CD2 4.33Å; K419-L422 HydrophobicContact CB-CD1 4.46Å; K419-L422 HydrophobicContact CG-CD1 4.28Å; K419-L422 PolarHBondContact O-N 2.96Å; L422-K424 VanDerWaalsContact C-N 3.34Å; L422-E425 HydrophobicContact CD1-CB 4.38Å
423H91.4Very high86.7Confident11 Ų1136 Ų365%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-63.7-44.9164.6-173.168.9000110.7T271 V272 N273 A276 T278 R404T271-H423 WeakPolarHBondContact CG2-CE1 3.45Å; T271-H423 PolarHBondContact OG1-NE2 3.05Å; V272-H423 PolarHBondContact N-O 3.13Å; N273-H423 PolarHBondContact N-O 3.49Å; N273-H423 WeakPolarHBondContact O-CA 3.25Å; N273-H423 PolarHBondContact O-ND1 3.14Å; A276-H423 HydrophobicContact CB-CB 4.21Å; A276-H423 VanDerWaalsContact O-CB 3.29Å; A276-H423 WeakPolarHBondContact O-CB 3.22Å; A276-H423 VanDerWaalsContact O-CG 3.32Å; A276-H423 PolarHBondContact O-ND1 2.91Å; T278-H423 WeakPolarHBondContact O-CB 3.4Å; T278-H423 PolarHBondContact O-N 3.24Å; R404-H423 PolarHBondContact NH1-CD2 2.95Å
424K90.5Very high86.9Confident0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-155.7148.7-174.7-174-178.4-56-179.40110.2L249 E264 I265 G267 V269 V279 L280 L422 I426L249-K424 HydrophobicContact CD2-CD 4.05Å; L249-K424 HydrophobicContact CD2-CG 4.2Å; E264-K424 PolarHBondContact O-NZ 3.43Å; I265-K424 WeakPolarHBondContact O-CD 3.23Å; I265-K424 WeakPolarHBondContact O-CE 3.32Å; I265-K424 PolarHBondContact O-NZ 3.04Å; G267-K424 WeakPolarHBondContact O-CE 3.38Å; G267-K424 PolarHBondContact O-NZ 3.38Å; V269-K424 WeakPolarHBondContact O-CE 3.36Å; V269-K424 PolarHBondContact O-NZ 3.25Å; V279-K424 WeakPolarHBondContact CA-O 3.34Å; V279-K424 HydrophobicContact CG1-CB 4.36Å; V279-K424 HydrophobicContact CG2-CB 4.36Å; L280-K424 PolarHBondContact N-O 2.8Å; L422-K424 VanDerWaalsContact C-N 3.34Å; K424-I426 HydrophobicContact CD-CD1 4.16Å; K424-I426 HydrophobicContact CD-CG1 4.17Å; K424-I426 HydrophobicContact CG-CG1 4.29Å
425E90.6Very high87.3Confident19 Ų1938.3 Ų38.39%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-121.4137.6170.7178174.2-157.900108.7P250 L280 K419 L422 H427P250-E425 WeakPolarHBondContact CD-O 3.25Å; P250-E425 HydrophobicContact CG-CB 3.9Å; P250-E425 HydrophobicContact CG-CG 4.07Å; P250-E425 WeakPolarHBondContact CG-O 3.41Å; L280-E425 HydrophobicContact CD2-CG 4.21Å; L280-E425 CarbonylContact O-C 3.21Å; L280-E425 WeakPolarHBondContact O-CA 3.4Å; K419-E425 VanDerWaalsContact NZ-CD 3.3Å; K419-E425 IonicContact NZ-OE1 3Å; K419-E425 PolarHBondContact NZ-OE1 3.46Å; K419-E425 IonicContact NZ-OE2 2.96Å; K419-E425 PolarHBondContact NZ-OE2 2.84Å; L422-E425 HydrophobicContact CD1-CB 4.38Å; E425-H427 IonicContact OE1-NE2 2.73Å
426I89.8Confident87.7Confident0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-131.1132.4179-59.6162.4000107.5M247 L249 M260 I265 V279 L280 A281 S282 K424M247-I426 HydrophobicContact CB-CG2 4.09Å; M247-I426 HydrophobicContact CG-CG2 4.22Å; L249-I426 HydrophobicContact CD2-CG1 3.98Å; M260-I426 HydrophobicContact CE-CG2 4.33Å; I265-I426 HydrophobicContact CB-CD1 4.13Å; I265-I426 HydrophobicContact CG1-CD1 3.99Å; I265-I426 HydrophobicContact CG2-CD1 3.57Å; V279-I426 HydrophobicContact CG1-CD1 3.98Å; L280-I426 PolarHBondContact O-N 3.4Å; A281-I426 CarbonylContact C-O 3.58Å; A281-I426 WeakPolarHBondContact CA-O 3.29Å; S282-I426 PolarHBondContact N-O 3.01Å; S282-I426 PolarHBondContact OG-O 3.24Å; K424-I426 HydrophobicContact CD-CD1 4.16Å; K424-I426 HydrophobicContact CD-CG1 4.17Å; K424-I426 HydrophobicContact CG-CG1 4.29Å
427H86.3Confident88.1Confident48 Ų4834.2 Ų34.222%0.22218%0.184CC..EExtended strand (participates in β ladder)trans-99122.6176.9-62.7106.5000111M247 E248 S282 E425M247-H427 CarbonylContact C-O 3.58Å; M247-H427 WeakPolarHBondContact CA-O 3.41Å; E248-H427 HydrophobicContact CB-CB 4.33Å; E248-H427 PolarHBondContact N-O 3.06Å; E248-H427 PolarHBondContact O-N 3.49Å; S282-H427 CarbonylContact O-C 3.57Å; S282-H427 WeakPolarHBondContact O-CA 3.49Å; S282-H427 PolarHBondContact OG-CD2 3.31Å; S282-H427 PolarHBondContact OG-NE2 2.96Å; E425-H427 IonicContact OE1-NE2 2.73Å
428L87.8Confident88.5Confident4 Ų434.5 Ų34.52%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-92.3110.2173.4-70.1168.4000110V245 M247 A281 S282 K289 W292V245-L428 HydrophobicContact CB-CD2 4.37Å; V245-L428 HydrophobicContact CG1-CB 4.33Å; V245-L428 HydrophobicContact CG1-CD2 3.89Å; M247-L428 HydrophobicContact CG-CD2 3.52Å; M247-L428 HydrophobicContact SD-CD2 4.19Å; A281-L428 HydrophobicContact CB-CD1 4.09Å; S282-L428 PolarHBondContact O-N 3.34Å; K289-L428 HydrophobicContact CB-CD1 4.23Å; K289-L428 HydrophobicContact CG-CD1 3.88Å; W292-L428 HydrophobicContact CB-CD1 4.46Å; W292-L428 HydrophobicContact CD2-CD1 4.32Å; W292-L428 HydrophobicContact CE3-CD1 4.38Å; W292-L428 HydrophobicContact CG-CD1 4.37Å; W292-L428 HydrophobicContact CG-CD2 4.31Å
429K78.9Confident88.8Confident55 Ų5535 Ų3524%0.23918%0.184CC..EExtended strand (participates in β ladder)trans-95.1-11-172.3-63.8-63.2-174.4165.40115.1Q246 E248 N752 S780Q246-K429 HydrophobicContact CB-CB 4.18Å; Q246-K429 PolarHBondContact O-N 3.1Å; E248-K429 HydrophobicContact CG-CG 4.2Å; E248-K429 WeakPolarHBondContact OE2-CE 3.38Å; K429-N752 PolarHBondContact NZ-OD1 2.79Å; K429-S780 VanDerWaalsContact CD-OG 3.3Å; K429-S780 WeakPolarHBondContact CD-OG 3.4Å; K429-S780 WeakPolarHBondContact CE-OG 3.46Å; K429-S780 PolarHBondContact NZ-OG 3.03Å
430G86.3Confident89.1Confident0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans99.7-157.6-176.500000112.9V245 Q246 H468V245-G430 WeakPolarHBondContact CG1-O 3.23Å; Q246-G430 PolarHBondContact N-O 2.87Å; G430-H468 CarbonylContact C-O 3.49Å; G430-H468 WeakPolarHBondContact CA-O 3.44Å
431F88Confident89.4Confident9 Ų929.4 Ų29.44%0.03916%0.157CC..  trans-79.6143.5-177.3-66.1-37.2000112.7T243 V245 I436 F439 H468 P470 C473T243-F431 HydrophobicContact CG2-CD1 4.33Å; T243-F431 HydrophobicContact CG2-CE1 4.11Å; V245-F431 HydrophobicContact CG2-CD1 4.49Å; V245-F431 HydrophobicContact CG2-CE1 4.29Å; F431-I436 HydrophobicContact CB-CG1 3.82Å; F431-I436 HydrophobicContact CD2-CG1 4.46Å; F431-F439 HydrophobicContact CE2-CB 4.03Å; F431-F439 HydrophobicContact CE2-CD1 4.27Å; F431-F439 AromaticContact CE2-CD2 3.87Å; F431-F439 HydrophobicContact CE2-CD2 3.87Å; F431-F439 HydrophobicContact CE2-CE2 4.42Å; F431-F439 AromaticContact CE2-CG 3.77Å; F431-F439 HydrophobicContact CE2-CG 3.77Å; F431-F439 HydrophobicContact CZ-CB 4.22Å; F431-F439 AromaticContact CZ-CD2 3.66Å; F431-F439 HydrophobicContact CZ-CD2 3.66Å; F431-F439 HydrophobicContact CZ-CE2 4.25Å; F431-F439 AromaticContact CZ-CG 3.99Å; F431-F439 HydrophobicContact CZ-CG 3.99Å; F431-H468 PolarHBondContact N-O 3.18Å; F431-H468 PolarHBondContact O-ND1 2.81Å; F431-P470 HydrophobicContact CD1-CG 4.13Å; F431-P470 HydrophobicContact CD2-CB 4.24Å; F431-P470 HydrophobicContact CD2-CG 4.03Å; F431-P470 HydrophobicContact CE1-CB 4.28Å; F431-P470 HydrophobicContact CE1-CG 3.95Å; F431-P470 HydrophobicContact CE2-CB 3.65Å; F431-P470 HydrophobicContact CE2-CG 3.89Å; F431-P470 HydrophobicContact CG-CG 4.16Å; F431-P470 HydrophobicContact CZ-CB 3.67Å; F431-P470 HydrophobicContact CZ-CG 3.83Å; F431-C473 HydrophobicContact CD2-CB 4.06Å; F431-C473 HydrophobicContact CE2-CB 4.03Å
432S83.6Confident89.5Confident16 Ų1632 Ų3211%0.11217%0.167CC..  trans-73.8166.1160.766.20000110.2Q246 S434 G435 I436Q246-S432 VanDerWaalsContact NE2-CB 3.27Å; S432-S434 PolarHBondContact O-N 3.46Å; S432-S434 PolarHBondContact OG-OG 2.96Å; S432-G435 CarbonylContact O-C 3.24Å; S432-G435 WeakPolarHBondContact O-CA 3.47Å; S432-G435 PolarHBondContact O-N 2.83Å; S432-G435 PolarHBondContact OG-N 3.47Å; S432-I436 WeakPolarHBondContact O-CG1 3.48Å; S432-I436 PolarHBondContact O-N 3.36Å
433P82.4Confident89.4Confident76 Ų7632.8 Ų32.849%0.49417%0.171SC..Hα-helixtrans-55.6-37.8171.8-26.636.5000113.2I436 D437 V784P433-I436 PolarHBondContact O-N 3.24Å; P433-D437 PolarHBondContact O-N 2.89Å; P433-V784 HydrophobicContact CG-CG2 4.43Å
434S85.7Confident89.3Confident88 Ų8832.9 Ų32.962%0.61517%0.171SC*.Hα-helixtrans-70.2-31.4172.854.60000113.2S432 D437 C438S432-S434 PolarHBondContact O-N 3.46Å; S432-S434 PolarHBondContact OG-OG 2.96Å; S434-D437 PolarHBondContact O-N 3.31Å; S434-C438 WeakPolarHBondContact O-CB 3.36Å; S434-C438 PolarHBondContact O-N 3.01Å
435G90.8Very high89.1Confident5 Ų539 Ų395%0.05221%0.214CC..Hα-helixtrans-66.3-39.5172.700000111.9T243 S432 C438 F439T243-G435 WeakPolarHBondContact CG2-O 3.48Å; S432-G435 CarbonylContact O-C 3.24Å; S432-G435 WeakPolarHBondContact O-CA 3.47Å; S432-G435 PolarHBondContact O-N 2.83Å; S432-G435 PolarHBondContact OG-N 3.47Å; G435-C438 PolarHBondContact O-N 2.9Å; G435-F439 VanDerWaalsContact O-CB 3.25Å; G435-F439 WeakPolarHBondContact O-CB 3.29Å; G435-F439 PolarHBondContact O-N 3.2Å
436I92Very high89.1Confident2 Ų241.2 Ų41.21%0.0123%0.226CC..Hα-helixtrans-60.6-49.3173.6-63169.8000110.1F431 S432 P433 C438 F439 V440 L457 L464 C467F431-I436 HydrophobicContact CB-CG1 3.82Å; F431-I436 HydrophobicContact CD2-CG1 4.46Å; S432-I436 WeakPolarHBondContact O-CG1 3.48Å; S432-I436 PolarHBondContact O-N 3.36Å; P433-I436 PolarHBondContact O-N 3.24Å; I436-C438 PolarHBondContact O-N 3.49Å; I436-F439 PolarHBondContact O-N 3.13Å; I436-V440 HydrophobicContact CG2-CG2 4.38Å; I436-V440 VanDerWaalsContact O-CG2 3.29Å; I436-V440 WeakPolarHBondContact O-CG2 3.3Å; I436-V440 PolarHBondContact O-N 3.26Å; I436-L457 HydrophobicContact CG2-CD1 4.16Å; I436-L464 HydrophobicContact CD1-CD1 3.99Å; I436-L464 HydrophobicContact CG2-CD1 4.41Å; I436-C467 HydrophobicContact CD1-CB 3.96Å; I436-C467 HydrophobicContact CG1-CB 4.37Å; I436-C467 WeakPolarHBondContact CG1-O 3.46Å; I436-C467 HydrophobicContact CG2-CB 4.21Å
437D93.1Very high89.2Confident51 Ų5145.4 Ų45.427%0.27325%0.254SS..Hα-helixtrans-57.5-48.9176.7-179.8-77.6000111.7P433 S434 F439 V440 R441 L454P433-D437 PolarHBondContact O-N 2.89Å; S434-D437 PolarHBondContact O-N 3.31Å; D437-F439 PolarHBondContact O-N 3.34Å; D437-V440 PolarHBondContact O-N 2.65Å; D437-R441 WeakPolarHBondContact O-CG 3.46Å; D437-R441 PolarHBondContact O-N 3.5Å; D437-R441 WeakPolarHBondContact OD1-CD 3.38Å; D437-R441 IonicContact OD1-CZ 2.83Å; D437-R441 IonicContact OD1-NE 2.65Å; D437-R441 PolarHBondContact OD1-NE 3.45Å; D437-R441 IonicContact OD1-NH2 3.46Å; D437-R441 IonicContact OD2-CZ 2.96Å; D437-R441 IonicContact OD2-NE 3.63Å; D437-R441 PolarHBondContact OD2-NE 3.37Å; D437-R441 IonicContact OD2-NH2 3.47Å; D437-R441 PolarHBondContact OD2-NH2 3.32Å; D437-L454 HydrophobicContact CB-CD2 4.37Å; D437-L454 WeakPolarHBondContact OD2-CD1 3.3Å
438C94.1Very high89.5Confident46 Ų4648 Ų4831%0.31127%0.269SS..Hα-helixtrans-59.1-46.8177.9-176.30000112.2T243 S434 G435 I436 R441 K442T243-C438 HydrophobicContact CG2-CB 4.01Å; S434-C438 WeakPolarHBondContact O-CB 3.36Å; S434-C438 PolarHBondContact O-N 3.01Å; G435-C438 PolarHBondContact O-N 2.9Å; I436-C438 PolarHBondContact O-N 3.49Å; C438-R441 PolarHBondContact O-N 3.18Å; C438-K442 WeakPolarHBondContact O-CB 3.36Å; C438-K442 WeakPolarHBondContact O-CG 3.48Å; C438-K442 PolarHBondContact O-N 3.42Å
439F94.8Very high89.7Confident13 Ų1351.1 Ų51.16%0.05728%0.284CS..Hα-helixtrans-62.1-49.3179.8177.3-91.6000111.5I241 T243 F431 G435 I436 D437 R441 K442 H443 C473 W474I241-F439 HydrophobicContact CG2-CD2 4.25Å; I241-F439 HydrophobicContact CG2-CE2 3.71Å; I241-F439 HydrophobicContact CG2-CZ 4.49Å; T243-F439 HydrophobicContact CG2-CB 4.27Å; F431-F439 HydrophobicContact CE2-CB 4.03Å; F431-F439 HydrophobicContact CE2-CD1 4.27Å; F431-F439 AromaticContact CE2-CD2 3.87Å; F431-F439 HydrophobicContact CE2-CD2 3.87Å; F431-F439 HydrophobicContact CE2-CE2 4.42Å; F431-F439 AromaticContact CE2-CG 3.77Å; F431-F439 HydrophobicContact CE2-CG 3.77Å; F431-F439 HydrophobicContact CZ-CB 4.22Å; F431-F439 AromaticContact CZ-CD2 3.66Å; F431-F439 HydrophobicContact CZ-CD2 3.66Å; F431-F439 HydrophobicContact CZ-CE2 4.25Å; F431-F439 AromaticContact CZ-CG 3.99Å; F431-F439 HydrophobicContact CZ-CG 3.99Å; G435-F439 VanDerWaalsContact O-CB 3.25Å; G435-F439 WeakPolarHBondContact O-CB 3.29Å; G435-F439 PolarHBondContact O-N 3.2Å; I436-F439 PolarHBondContact O-N 3.13Å; D437-F439 PolarHBondContact O-N 3.34Å; F439-R441 VanDerWaalsContact C-N 3.33Å; F439-R441 PolarHBondContact O-N 3.34Å; F439-K442 PolarHBondContact O-N 2.73Å; F439-H443 HydrophobicContact CE1-CB 4.43Å; F439-H443 VanDerWaalsContact O-CB 3.3Å; F439-H443 WeakPolarHBondContact O-CB 3.33Å; F439-H443 PolarHBondContact O-N 3Å; F439-C473 HydrophobicContact CD1-CB 4.37Å; F439-C473 WeakPolarHBondContact CD1-SG 3.37Å; F439-C473 HydrophobicContact CE1-CB 4.42Å; F439-W474 HydrophobicContact CE1-CB 4.29Å; F439-W474 HydrophobicContact CZ-CB 3.85Å; F439-W474 HydrophobicContact CZ-CG 4.39Å
440V94.6Very high90.4Very high0 Ų048.6 Ų48.60%027%0.273CS..Hα-helixtrans-61.3-43.2179.8174.80000110.3I436 D437 K442 H443 H444 A450 V453 L454 L457I436-V440 HydrophobicContact CG2-CG2 4.38Å; I436-V440 VanDerWaalsContact O-CG2 3.29Å; I436-V440 WeakPolarHBondContact O-CG2 3.3Å; I436-V440 PolarHBondContact O-N 3.26Å; D437-V440 PolarHBondContact O-N 2.65Å; V440-K442 VanDerWaalsContact C-N 3.35Å; V440-K442 PolarHBondContact O-N 3.47Å; V440-H443 PolarHBondContact O-N 3.34Å; V440-H444 PolarHBondContact O-CD2 3.13Å; V440-H444 VanDerWaalsContact O-CD2 3.25Å; V440-H444 PolarHBondContact O-N 3.49Å; V440-H444 VanDerWaalsContact O-N 3.15Å; V440-A450 HydrophobicContact CG1-CB 4.37Å; V440-V453 HydrophobicContact CG1-CB 4.1Å; V440-V453 HydrophobicContact CG1-CG1 3.91Å; V440-L454 HydrophobicContact CB-CD2 3.93Å; V440-L454 HydrophobicContact CB-CG 4.24Å; V440-L454 HydrophobicContact CG1-CD1 4.45Å; V440-L454 HydrophobicContact CG1-CD2 4.1Å; V440-L454 HydrophobicContact CG1-CG 3.9Å; V440-L454 HydrophobicContact CG2-CD2 4.04Å; V440-L457 HydrophobicContact CG2-CD1 4.37Å
441R94.5Very high90.8Very high129 Ų12950.8 Ų50.849%0.48729%0.291SS..Hα-helixtrans-64.9-35.4177.3-70.3-177.7-163.8-77.4-9.2113.6D437 C438 F439 A450 L454D437-R441 WeakPolarHBondContact O-CG 3.46Å; D437-R441 PolarHBondContact O-N 3.5Å; D437-R441 WeakPolarHBondContact OD1-CD 3.38Å; D437-R441 IonicContact OD1-CZ 2.83Å; D437-R441 IonicContact OD1-NE 2.65Å; D437-R441 PolarHBondContact OD1-NE 3.45Å; D437-R441 IonicContact OD1-NH2 3.46Å; D437-R441 IonicContact OD2-CZ 2.96Å; D437-R441 IonicContact OD2-NE 3.63Å; D437-R441 PolarHBondContact OD2-NE 3.37Å; D437-R441 IonicContact OD2-NH2 3.47Å; D437-R441 PolarHBondContact OD2-NH2 3.32Å; C438-R441 PolarHBondContact O-N 3.18Å; F439-R441 VanDerWaalsContact C-N 3.33Å; F439-R441 PolarHBondContact O-N 3.34Å; R441-A450 HydrophobicContact CG-CB 4.49Å; R441-L454 HydrophobicContact CG-CD1 4.3Å
442K92.4Very high91Very high94 Ų9455.9 Ų55.941%0.40931%0.313SS..Hα-helixtrans-72.1-34.3174.8-75.4173.4169.2-174.20112.4D240 Y242 C438 F439 V440D240-K442 WeakPolarHBondContact O-CD 3.39Å; Y242-K442 PolarHBondContact O-NZ 3.45Å; C438-K442 WeakPolarHBondContact O-CB 3.36Å; C438-K442 WeakPolarHBondContact O-CG 3.48Å; C438-K442 PolarHBondContact O-N 3.42Å; F439-K442 PolarHBondContact O-N 2.73Å; V440-K442 VanDerWaalsContact C-N 3.35Å; V440-K442 PolarHBondContact O-N 3.47Å
443H89.5Confident91.4Very high22 Ų2255.1 Ų55.110%0.10231%0.308CS..Hα-helixtrans-72-35.4-177.2-172.7-91.5000113F439 V440 W474 S477F439-H443 HydrophobicContact CE1-CB 4.43Å; F439-H443 VanDerWaalsContact O-CB 3.3Å; F439-H443 WeakPolarHBondContact O-CB 3.33Å; F439-H443 PolarHBondContact O-N 3Å; V440-H443 PolarHBondContact O-N 3.34Å; H443-W474 AromaticContact NE2-NE1 3.97Å; H443-S477 WeakPolarHBondContact ND1-CB 3.33Å
444H89.4Confident91.9Very high13 Ų1352 Ų526%0.0629%0.287CS..  trans-102.3119.7-177.4-67.9-85.9000111.5V440 D446 A450 S477 H480V440-H444 PolarHBondContact O-CD2 3.13Å; V440-H444 VanDerWaalsContact O-CD2 3.25Å; V440-H444 PolarHBondContact O-N 3.49Å; V440-H444 VanDerWaalsContact O-N 3.15Å; H444-D446 VanDerWaalsContact C-N 3.32Å; H444-D446 PolarHBondContact O-N 3.44Å; H444-A450 HydrophobicContact CB-CB 3.96Å; H444-S477 PolarHBondContact CE1-O 2.86Å; H444-S477 PolarHBondContact NE2-O 2.79Å; H444-H480 AromaticContact CE1-CG 3.61Å; H444-H480 AromaticContact CE1-ND1 3.5Å; H444-H480 PolarHBondContact CE1-ND1 3.47Å
445S86.8Confident92.2Very high130 Ų13054.2 Ų54.291%0.90929%0.288SS*.SBendtrans-68.2-29.2176.1-500000113.2
446D90.8Very high92.1Very high64 Ų6455.6 Ų55.634%0.34230%0.296SS..SBendtrans-88.8115.8173.7-177.2-2.5000110.6H444 N448 E449 A450H444-D446 VanDerWaalsContact C-N 3.32Å; H444-D446 PolarHBondContact O-N 3.44Å; D446-N448 PolarHBondContact O-N 3.3Å; D446-N448 WeakPolarHBondContact OD1-CB 3.38Å; D446-N448 PolarHBondContact OD1-N 2.91Å; D446-N448 PolarHBondContact OD1-ND2 3.42Å; D446-E449 HydrophobicContact CB-CB 4.22Å; D446-E449 HydrophobicContact CB-CG 4.01Å; D446-E449 PolarHBondContact O-N 3.45Å; D446-A450 PolarHBondContact O-N 3.32Å; D446-A450 VanDerWaalsContact O-N 3.16Å
447P92.1Very high92Very high88 Ų8855.5 Ų55.557%0.57130%0.296SS*.Hα-helixtrans-62.1-24.9178.626-35.3000113.4A451P447-A451 WeakPolarHBondContact O-CB 3.49Å; P447-A451 PolarHBondContact O-N 3.33Å
448N92.6Very high91.6Very high104 Ų10459.3 Ų59.356%0.55631%0.312SS*.Hα-helixtrans-73.7-37.1177.6-59.2-62.2000111.9D446 A451 K452D446-N448 PolarHBondContact O-N 3.3Å; D446-N448 WeakPolarHBondContact OD1-CB 3.38Å; D446-N448 PolarHBondContact OD1-N 2.91Å; D446-N448 PolarHBondContact OD1-ND2 3.42Å; N448-A451 PolarHBondContact O-N 3.3Å; N448-K452 WeakPolarHBondContact O-CG 3.19Å; N448-K452 PolarHBondContact O-N 3Å; N448-K452 VanDerWaalsContact O-N 3.13Å
449E92.2Very high91.2Very high69 Ų6961.3 Ų61.332%0.32233%0.332SS..Hα-helixtrans-65.5-46.3173.3-69.7-172.7158.700110.3D446 A451 K452 V453 H480D446-E449 HydrophobicContact CB-CB 4.22Å; D446-E449 HydrophobicContact CB-CG 4.01Å; D446-E449 PolarHBondContact O-N 3.45Å; E449-A451 VanDerWaalsContact C-N 3.3Å; E449-A451 PolarHBondContact O-N 3Å; E449-K452 PolarHBondContact O-N 3.16Å; E449-V453 WeakPolarHBondContact O-CG2 3.16Å; E449-V453 PolarHBondContact O-N 3.38Å; E449-H480 IonicContact OE2-NE2 2.8Å
450A93.6Very high90.8Very high1 Ų162.1 Ų62.11%0.00834%0.337CS..Hα-helixtrans-55.3-45.7175.400000111.8V440 R441 H444 D446 K452 V453 L454V440-A450 HydrophobicContact CG1-CB 4.37Å; R441-A450 HydrophobicContact CG-CB 4.49Å; H444-A450 HydrophobicContact CB-CB 3.96Å; D446-A450 PolarHBondContact O-N 3.32Å; D446-A450 VanDerWaalsContact O-N 3.16Å; A450-K452 PolarHBondContact O-N 3.38Å; A450-V453 PolarHBondContact O-N 3.38Å; A450-L454 VanDerWaalsContact O-CG 3.29Å; A450-L454 WeakPolarHBondContact O-CG 3.05Å; A450-L454 PolarHBondContact O-N 3.02Å
451A94.1Very high90.2Very high46 Ų4664.4 Ų64.438%0.3835%0.351SS..Hα-helixtrans-61.4-43.7178.900000112.4P447 N448 E449 L454 E455P447-A451 WeakPolarHBondContact O-CB 3.49Å; P447-A451 PolarHBondContact O-N 3.33Å; N448-A451 PolarHBondContact O-N 3.3Å; E449-A451 VanDerWaalsContact C-N 3.3Å; E449-A451 PolarHBondContact O-N 3Å; A451-L454 PolarHBondContact O-N 3.37Å; A451-E455 WeakPolarHBondContact O-CB 3.49Å; A451-E455 PolarHBondContact O-N 3.05Å
452K92.4Very high89.7Confident116 Ų11658.8 Ų58.850%0.50433%0.332SS..Hα-helixtrans-65-40.5177.8-72173.5-176.9175.60112.6N448 E449 A450 E455 S456 L484N448-K452 WeakPolarHBondContact O-CG 3.19Å; N448-K452 PolarHBondContact O-N 3Å; N448-K452 VanDerWaalsContact O-N 3.13Å; E449-K452 PolarHBondContact O-N 3.16Å; A450-K452 PolarHBondContact O-N 3.38Å; K452-E455 PolarHBondContact O-N 3.38Å; K452-S456 WeakPolarHBondContact O-CB 3.28Å; K452-S456 PolarHBondContact O-N 3.26Å; K452-L484 HydrophobicContact CB-CD1 4.21Å; K452-L484 HydrophobicContact CB-CD2 4.08Å; K452-L484 HydrophobicContact CD-CD1 4.49Å
453V92.1Very high89.5Confident0 Ų054.3 Ų54.30%031%0.313CS..Hα-helixtrans-62.3-46.3175.5173.50000110.1V440 E449 A450 E455 S456 L457 H480 L483V440-V453 HydrophobicContact CG1-CB 4.1Å; V440-V453 HydrophobicContact CG1-CG1 3.91Å; E449-V453 WeakPolarHBondContact O-CG2 3.16Å; E449-V453 PolarHBondContact O-N 3.38Å; A450-V453 PolarHBondContact O-N 3.38Å; V453-E455 PolarHBondContact O-N 2.68Å; V453-S456 PolarHBondContact O-N 2.82Å; V453-L457 HydrophobicContact CG1-CD1 4.2Å; V453-L457 HydrophobicContact CG1-CG 4.47Å; V453-L457 WeakPolarHBondContact O-CG 3.15Å; V453-L457 PolarHBondContact O-N 2.99Å; V453-H480 HydrophobicContact CG2-CB 3.52Å; V453-L483 HydrophobicContact CG1-CD2 4.42Å
454L92.8Very high89.4Confident12 Ų1254.9 Ų54.96%0.06332%0.316CS..Hα-helixtrans-63.7-41.6178.5-70.4169.4000112.6D437 V440 R441 A450 A451 S456 L457 Q458D437-L454 HydrophobicContact CB-CD2 4.37Å; D437-L454 WeakPolarHBondContact OD2-CD1 3.3Å; V440-L454 HydrophobicContact CB-CD2 3.93Å; V440-L454 HydrophobicContact CB-CG 4.24Å; V440-L454 HydrophobicContact CG1-CD1 4.45Å; V440-L454 HydrophobicContact CG1-CD2 4.1Å; V440-L454 HydrophobicContact CG1-CG 3.9Å; V440-L454 HydrophobicContact CG2-CD2 4.04Å; R441-L454 HydrophobicContact CG-CD1 4.3Å; A450-L454 VanDerWaalsContact O-CG 3.29Å; A450-L454 WeakPolarHBondContact O-CG 3.05Å; A450-L454 PolarHBondContact O-N 3.02Å; A451-L454 PolarHBondContact O-N 3.37Å; L454-S456 VanDerWaalsContact C-N 3.34Å; L454-L457 PolarHBondContact O-N 2.9Å; L454-Q458 WeakPolarHBondContact O-CB 3.45Å; L454-Q458 VanDerWaalsContact O-CG 3.25Å; L454-Q458 WeakPolarHBondContact O-CG 3.26Å; L454-Q458 PolarHBondContact O-N 3.04Å
455E91.3Very high89.1Confident133 Ų13354.2 Ų54.262%0.62131%0.313SS*.Hα-helixtrans-60.6-44.6174.5-174.2176.7-167.900111A451 K452 V453 L457 Q458 A459A451-E455 WeakPolarHBondContact O-CB 3.49Å; A451-E455 PolarHBondContact O-N 3.05Å; K452-E455 PolarHBondContact O-N 3.38Å; V453-E455 PolarHBondContact O-N 2.68Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 3.23Å; E455-Q458 PolarHBondContact O-N 3.3Å; E455-A459 WeakPolarHBondContact O-CB 3.48Å; E455-A459 PolarHBondContact O-N 2.93Å
456S89.3Confident89.3Confident34 Ų3448.2 Ų48.224%0.23827%0.271CS..Hα-helixtrans-63.2-38175.9-176.40000112.9K452 V453 L454 N460K452-S456 WeakPolarHBondContact O-CB 3.28Å; K452-S456 PolarHBondContact O-N 3.26Å; V453-S456 PolarHBondContact O-N 2.82Å; L454-S456 VanDerWaalsContact C-N 3.34Å; S456-N460 PolarHBondContact O-N 3.36Å
457L89Confident89.3Confident1 Ų145.2 Ų45.21%0.00526%0.255CS..Hα-helixtrans-67.2-43.8175.2-73.1176.9000111.2I436 V440 V453 L454 E455 A459 N460 L463 L464 C467 V476I436-L457 HydrophobicContact CG2-CD1 4.16Å; V440-L457 HydrophobicContact CG2-CD1 4.37Å; V453-L457 HydrophobicContact CG1-CD1 4.2Å; V453-L457 HydrophobicContact CG1-CG 4.47Å; V453-L457 WeakPolarHBondContact O-CG 3.15Å; V453-L457 PolarHBondContact O-N 2.99Å; L454-L457 PolarHBondContact O-N 2.9Å; E455-L457 VanDerWaalsContact C-N 3.34Å; E455-L457 PolarHBondContact O-N 3.23Å; L457-A459 VanDerWaalsContact C-N 3.31Å; L457-A459 PolarHBondContact O-N 3.47Å; L457-N460 CarbonylContact O-C 3.59Å; L457-N460 VanDerWaalsContact O-C 3.24Å; L457-N460 PolarHBondContact O-N 2.78Å; L457-N460 VanDerWaalsContact O-N 3.08Å; L457-L463 HydrophobicContact CD2-CB 4.38Å; L457-L463 HydrophobicContact CD2-CD2 3.79Å; L457-L463 HydrophobicContact CD2-CG 3.69Å; L457-L464 HydrophobicContact CB-CD1 4.31Å; L457-C467 VanDerWaalsContact CD2-SG 3.57Å; L457-V476 HydrophobicContact CD2-CG1 3.97Å
458Q86.4Confident89.1Confident131 Ų13142.3 Ų42.361%0.61223%0.234SC*.Hα-helixtrans-64.8-35.3178.6-72.5172.72.400112.3L454 E455 N460L454-Q458 WeakPolarHBondContact O-CB 3.45Å; L454-Q458 VanDerWaalsContact O-CG 3.25Å; L454-Q458 WeakPolarHBondContact O-CG 3.26Å; L454-Q458 PolarHBondContact O-N 3.04Å; E455-Q458 PolarHBondContact O-N 3.3Å; Q458-N460 PolarHBondContact O-N 3.08Å
459A85.8Confident88.9Confident88 Ų8838.6 Ų38.673%0.72722%0.216SC*.Hα-helixtrans-69.4-21.317400000113.2E455 L457E455-A459 WeakPolarHBondContact O-CB 3.48Å; E455-A459 PolarHBondContact O-N 2.93Å; L457-A459 VanDerWaalsContact C-N 3.31Å; L457-A459 PolarHBondContact O-N 3.47Å
460N85.5Confident88.9Confident29 Ų2936 Ų3616%0.15521%0.205CC..  trans-122.488.6-177.8-173.3-18.1000111.5S456 L457 Q458 A462 L463 L464 L491S456-N460 PolarHBondContact O-N 3.36Å; L457-N460 CarbonylContact O-C 3.59Å; L457-N460 VanDerWaalsContact O-C 3.24Å; L457-N460 PolarHBondContact O-N 2.78Å; L457-N460 VanDerWaalsContact O-N 3.08Å; Q458-N460 PolarHBondContact O-N 3.08Å; N460-A462 PolarHBondContact O-N 2.83Å; N460-A462 VanDerWaalsContact O-N 3.16Å; N460-A462 PolarHBondContact OD1-N 2.87Å; N460-L463 HydrophobicContact CB-CB 4.05Å; N460-L463 PolarHBondContact O-N 2.76Å; N460-L463 VanDerWaalsContact O-N 3.12Å; N460-L463 PolarHBondContact OD1-N 2.72Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; N460-L464 PolarHBondContact O-N 3.25Å; N460-L491 PolarHBondContact ND2-O 3.22Å
461T80.8Confident88.8Confident48 Ų4837.1 Ų37.129%0.29421%0.212SC..Hα-helixtrans-61.3-29-175.464.70000113.8G465 Q788T461-G465 PolarHBondContact O-N 2.86Å; T461-Q788 PolarHBondContact O-NE2 3.05Å; T461-Q788 PolarHBondContact OG1-NE2 3.21Å
462A84.1Confident88.7Confident12 Ų1235.2 Ų35.210%0.09920%0.195CC..Hα-helixtrans-69.5-45.4177.200000110.7N460 G465 L466N460-A462 PolarHBondContact O-N 2.83Å; N460-A462 VanDerWaalsContact O-N 3.16Å; N460-A462 PolarHBondContact OD1-N 2.87Å; A462-G465 WeakPolarHBondContact O-CA 3.3Å; A462-G465 PolarHBondContact O-N 3.28Å; A462-L466 PolarHBondContact O-N 2.9Å
463L88.5Confident88.8Confident0 Ų029.7 Ų29.70%017%0.171CC..Hα-helixtrans-65.8-40.5175.6-171.362.9000111.9L457 N460 G465 L466 C467 V476 L483 V497L457-L463 HydrophobicContact CD2-CB 4.38Å; L457-L463 HydrophobicContact CD2-CD2 3.79Å; L457-L463 HydrophobicContact CD2-CG 3.69Å; N460-L463 HydrophobicContact CB-CB 4.05Å; N460-L463 PolarHBondContact O-N 2.76Å; N460-L463 VanDerWaalsContact O-N 3.12Å; N460-L463 PolarHBondContact OD1-N 2.72Å; N460-L463 VanDerWaalsContact OD1-N 3.14Å; L463-G465 VanDerWaalsContact C-N 3.26Å; L463-G465 PolarHBondContact O-N 2.84Å; L463-L466 HydrophobicContact CD1-CD1 4.21Å; L463-L466 WeakPolarHBondContact O-CB 3.11Å; L463-L466 PolarHBondContact O-N 3.34Å; L463-L466 VanDerWaalsContact O-N 3.12Å; L463-C467 PolarHBondContact O-N 3.16Å; L463-C467 PolarHBondContact O-SG 2.75Å; L463-C467 VanDerWaalsContact O-SG 3.4Å; L463-V476 HydrophobicContact CD1-CG2 3.79Å; L463-V476 HydrophobicContact CD2-CG1 4.3Å; L463-V476 HydrophobicContact CG-CG2 4.42Å; L463-L483 HydrophobicContact CD2-CD1 3.59Å; L463-V497 HydrophobicContact CD1-CG2 3.81Å
464L87.1Confident88.8Confident33 Ų3331.6 Ų31.617%0.17318%0.178CC..Hα-helixtrans-58.2-41.5171-177.663.7000111.5I436 L457 N460 L466 C467I436-L464 HydrophobicContact CD1-CD1 3.99Å; I436-L464 HydrophobicContact CG2-CD1 4.41Å; L457-L464 HydrophobicContact CB-CD1 4.31Å; N460-L464 PolarHBondContact O-N 3.25Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 2.82Å; L464-C467 PolarHBondContact O-N 3.35Å; L464-C467 VanDerWaalsContact O-N 3.17Å
465G84.8Confident88.7Confident0 Ų031.1 Ų31.10%018%0.176CC..Hα-helixtrans-55.8-43.8172.600000112.8T461 A462 L463 H468T461-G465 PolarHBondContact O-N 2.86Å; A462-G465 WeakPolarHBondContact O-CA 3.3Å; A462-G465 PolarHBondContact O-N 3.28Å; L463-G465 VanDerWaalsContact C-N 3.26Å; L463-G465 PolarHBondContact O-N 2.84Å; G465-H468 PolarHBondContact O-N 2.84Å
466L89.8Confident88.7Confident4 Ų424.8 Ų24.82%0.02115%0.146CC..Hα-helixtrans-65.2-38.9175.5-66.4171.6000112A462 L463 L464 H468 S469 L472 I494 V497 V756A462-L466 PolarHBondContact O-N 2.9Å; L463-L466 HydrophobicContact CD1-CD1 4.21Å; L463-L466 WeakPolarHBondContact O-CB 3.11Å; L463-L466 PolarHBondContact O-N 3.34Å; L463-L466 VanDerWaalsContact O-N 3.12Å; L464-L466 VanDerWaalsContact C-N 3.32Å; L464-L466 PolarHBondContact O-N 2.82Å; L466-H468 PolarHBondContact O-N 2.85Å; L466-H468 VanDerWaalsContact O-N 3.12Å; L466-S469 WeakPolarHBondContact O-CB 3.31Å; L466-S469 PolarHBondContact O-N 2.71Å; L466-L472 HydrophobicContact CB-CB 4.47Å; L466-L472 HydrophobicContact CB-CD1 3.84Å; L466-L472 HydrophobicContact CD2-CD1 3.86Å; L466-L472 HydrophobicContact CG-CD1 4.4Å; L466-L472 WeakPolarHBondContact O-CB 3.29Å; L466-L472 WeakPolarHBondContact O-CD1 3.14Å; L466-I494 HydrophobicContact CD2-CB 4.41Å; L466-V497 HydrophobicContact CD1-CG2 3.9Å; L466-V756 HydrophobicContact CD2-CB 4.45Å; L466-V756 HydrophobicContact CD2-CG1 3.79Å; L466-V756 HydrophobicContact CD2-CG2 3.77Å; L466-V756 HydrophobicContact CG-CG2 4.49Å
467C91.7Very high88.9Confident0 Ų023.2 Ų23.20%014%0.135CC..THydrogen-bonded Turntrans-67-8-179.7-70.40000114.8I436 L457 L463 L464 S469 C473I436-C467 HydrophobicContact CD1-CB 3.96Å; I436-C467 HydrophobicContact CG1-CB 4.37Å; I436-C467 WeakPolarHBondContact CG1-O 3.46Å; I436-C467 HydrophobicContact CG2-CB 4.21Å; L457-C467 VanDerWaalsContact CD2-SG 3.57Å; L463-C467 PolarHBondContact O-N 3.16Å; L463-C467 PolarHBondContact O-SG 2.75Å; L463-C467 VanDerWaalsContact O-SG 3.4Å; L464-C467 PolarHBondContact O-N 3.35Å; L464-C467 VanDerWaalsContact O-N 3.17Å; C467-S469 PolarHBondContact O-N 2.56Å; C467-C473 HydrophobicContact CB-CB 4.04Å; C467-C473 WeakPolarHBondContact O-CB 3.38Å
468H86.9Confident88.8Confident27 Ų2725.8 Ų25.813%0.12515%0.147CC..THydrogen-bonded Turntrans-60.7-27.3164.3-79.8-83.9000112.1G430 F431 G465 L466 P470 V784G430-H468 CarbonylContact C-O 3.49Å; G430-H468 WeakPolarHBondContact CA-O 3.44Å; F431-H468 PolarHBondContact N-O 3.18Å; F431-H468 PolarHBondContact O-ND1 2.81Å; G465-H468 PolarHBondContact O-N 2.84Å; L466-H468 PolarHBondContact O-N 2.85Å; L466-H468 VanDerWaalsContact O-N 3.12Å; H468-P470 WeakPolarHBondContact O-CD 3.12Å; H468-V784 WeakPolarHBondContact NE2-CG2 3.42Å
469S89.4Confident89Confident26 Ų2619.5 Ų19.518%0.18212%0.118CC..SBendtrans-80.3118.4169.9-176.90000110G286 L466 C467 V471 L472 C473G286-S469 PolarHBondContact O-OG 3.11Å; L466-S469 WeakPolarHBondContact O-CB 3.31Å; L466-S469 PolarHBondContact O-N 2.71Å; C467-S469 PolarHBondContact O-N 2.56Å; S469-V471 VanDerWaalsContact C-N 3.26Å; S469-V471 PolarHBondContact O-N 3.16Å; S469-L472 PolarHBondContact O-N 3.05Å; S469-C473 PolarHBondContact O-N 3.13Å
470P92.1Very high89.1Confident16 Ų1616.5 Ų16.510%0.1049%0.089CC..Hα-helixtrans-52.4-39.1179.7-31.737.3000114.7G286 F431 H468 L472 C473 W474G286-P470 VanDerWaalsContact O-CD 3.3Å; G286-P470 WeakPolarHBondContact O-CD 3.46Å; F431-P470 HydrophobicContact CD1-CG 4.13Å; F431-P470 HydrophobicContact CD2-CB 4.24Å; F431-P470 HydrophobicContact CD2-CG 4.03Å; F431-P470 HydrophobicContact CE1-CB 4.28Å; F431-P470 HydrophobicContact CE1-CG 3.95Å; F431-P470 HydrophobicContact CE2-CB 3.65Å; F431-P470 HydrophobicContact CE2-CG 3.89Å; F431-P470 HydrophobicContact CG-CG 4.16Å; F431-P470 HydrophobicContact CZ-CB 3.67Å; F431-P470 HydrophobicContact CZ-CG 3.83Å; H468-P470 WeakPolarHBondContact O-CD 3.12Å; P470-L472 VanDerWaalsContact C-N 3.34Å; P470-L472 PolarHBondContact O-N 2.94Å; P470-C473 PolarHBondContact O-N 2.62Å; P470-W474 VanDerWaalsContact O-CB 3.28Å; P470-W474 WeakPolarHBondContact O-CB 3.49Å; P470-W474 PolarHBondContact O-N 3.27Å
471V91.1Very high89.1Confident23 Ų2321.5 Ų21.514%0.13911%0.109CC..Hα-helixtrans-64.7-38177.971.90000112.3G286 S469 I475G286-V471 PolarHBondContact O-N 3.49Å; S469-V471 VanDerWaalsContact C-N 3.26Å; S469-V471 PolarHBondContact O-N 3.16Å; V471-I475 VanDerWaalsContact O-CG1 3.31Å; V471-I475 WeakPolarHBondContact O-CG1 3.45Å; V471-I475 PolarHBondContact O-N 2.67Å
472L92.4Very high89.3Confident6 Ų620.5 Ų20.53%0.03110%0.101CC..Hα-helixtrans-75.4-40179.5-59-178000110.7L466 S469 P470 W474 I475 V476 I494 V497 Y498L466-L472 HydrophobicContact CB-CB 4.47Å; L466-L472 HydrophobicContact CB-CD1 3.84Å; L466-L472 HydrophobicContact CD2-CD1 3.86Å; L466-L472 HydrophobicContact CG-CD1 4.4Å; L466-L472 WeakPolarHBondContact O-CB 3.29Å; L466-L472 WeakPolarHBondContact O-CD1 3.14Å; S469-L472 PolarHBondContact O-N 3.05Å; P470-L472 VanDerWaalsContact C-N 3.34Å; P470-L472 PolarHBondContact O-N 2.94Å; L472-W474 VanDerWaalsContact C-N 3.29Å; L472-W474 PolarHBondContact O-N 3.42Å; L472-I475 HydrophobicContact CD2-CD1 4.3Å; L472-I475 PolarHBondContact O-N 2.81Å; L472-V476 WeakPolarHBondContact O-CB 3.3Å; L472-V476 VanDerWaalsContact O-CG2 3.26Å; L472-V476 WeakPolarHBondContact O-CG2 3.36Å; L472-V476 PolarHBondContact O-N 3.16Å; L472-I494 HydrophobicContact CD1-CD1 4.03Å; L472-I494 HydrophobicContact CD1-CG1 3.97Å; L472-I494 HydrophobicContact CD2-CD1 4.14Å; L472-I494 HydrophobicContact CD2-CG1 3.83Å; L472-V497 HydrophobicContact CD2-CG1 4.15Å; L472-Y498 HydrophobicContact CD2-CD2 4.48Å; L472-Y498 HydrophobicContact CD2-CE2 3.69Å
473C93.4Very high89.4Confident0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-58.7-43.3173-165.10000111.6F431 F439 C467 S469 P470 V476 S477F431-C473 HydrophobicContact CD2-CB 4.06Å; F431-C473 HydrophobicContact CE2-CB 4.03Å; F439-C473 HydrophobicContact CD1-CB 4.37Å; F439-C473 WeakPolarHBondContact CD1-SG 3.37Å; F439-C473 HydrophobicContact CE1-CB 4.42Å; C467-C473 HydrophobicContact CB-CB 4.04Å; C467-C473 WeakPolarHBondContact O-CB 3.38Å; S469-C473 PolarHBondContact O-N 3.13Å; P470-C473 PolarHBondContact O-N 2.62Å; C473-V476 PolarHBondContact O-N 2.76Å; C473-S477 WeakPolarHBondContact O-CB 3.44Å; C473-S477 PolarHBondContact O-N 3.4Å; C473-S477 PolarHBondContact O-OG 3.05Å
474W91.7Very high89.1Confident41 Ų4124.2 Ų24.216%0.15512%0.119CC..Hα-helixtrans-61.9-48.2174.517580.4000111.6Y230 F439 H443 P470 L472 V476 S477 Q478 I501Y230-W474 AromaticContact CD2-CH2 3.09Å; Y230-W474 HydrophobicContact CD2-CH2 3.09Å; Y230-W474 AromaticContact CD2-CZ2 3.56Å; Y230-W474 HydrophobicContact CD2-CZ2 3.56Å; Y230-W474 AromaticContact CD2-CZ3 3.93Å; Y230-W474 HydrophobicContact CD2-CZ3 3.93Å; Y230-W474 HydrophobicContact CE2-CE3 4.38Å; Y230-W474 AromaticContact CE2-CH2 2.96Å; Y230-W474 HydrophobicContact CE2-CH2 2.96Å; Y230-W474 AromaticContact CE2-CZ2 3.82Å; Y230-W474 HydrophobicContact CE2-CZ2 3.82Å; Y230-W474 AromaticContact CE2-CZ3 3.27Å; Y230-W474 HydrophobicContact CE2-CZ3 3.27Å; Y230-W474 HydrophobicContact CG-CH2 4.4Å; F439-W474 HydrophobicContact CE1-CB 4.29Å; F439-W474 HydrophobicContact CZ-CB 3.85Å; F439-W474 HydrophobicContact CZ-CG 4.39Å; H443-W474 AromaticContact NE2-NE1 3.97Å; P470-W474 VanDerWaalsContact O-CB 3.28Å; P470-W474 WeakPolarHBondContact O-CB 3.49Å; P470-W474 PolarHBondContact O-N 3.27Å; L472-W474 VanDerWaalsContact C-N 3.29Å; L472-W474 PolarHBondContact O-N 3.42Å; W474-V476 VanDerWaalsContact C-N 3.34Å; W474-V476 PolarHBondContact O-N 3Å; W474-S477 PolarHBondContact O-N 2.86Å; W474-Q478 HydrophobicContact CH2-CB 4.08Å; W474-Q478 HydrophobicContact CH2-CG 3.98Å; W474-Q478 HydrophobicContact CZ2-CB 4Å; W474-Q478 HydrophobicContact CZ2-CG 3.9Å; W474-Q478 WeakPolarHBondContact O-CB 3.27Å; W474-Q478 PolarHBondContact O-N 3.48Å; W474-I501 HydrophobicContact CH2-CD1 4.15Å; W474-I501 HydrophobicContact CZ3-CD1 4.33Å
475I91.8Very high88.4Confident1 Ų125.2 Ų25.21%0.00514%0.137CC..Hα-helixtrans-57.2-47.7176.3-71.1165.2000110.9V471 L472 S477 Q478 C479 V497 Y498 M500 I501V471-I475 VanDerWaalsContact O-CG1 3.31Å; V471-I475 WeakPolarHBondContact O-CG1 3.45Å; V471-I475 PolarHBondContact O-N 2.67Å; L472-I475 HydrophobicContact CD2-CD1 4.3Å; L472-I475 PolarHBondContact O-N 2.81Å; I475-S477 VanDerWaalsContact C-N 3.33Å; I475-S477 PolarHBondContact O-N 2.9Å; I475-Q478 PolarHBondContact O-N 2.96Å; I475-C479 WeakPolarHBondContact O-CB 3.28Å; I475-C479 PolarHBondContact O-N 3.3Å; I475-C479 PolarHBondContact O-SG 3.29Å; I475-V497 HydrophobicContact CB-CG1 3.84Å; I475-V497 HydrophobicContact CD1-CG1 4.19Å; I475-V497 HydrophobicContact CG2-CG1 3.38Å; I475-Y498 HydrophobicContact CD1-CE1 4.07Å; I475-Y498 HydrophobicContact CD1-CE2 4.17Å; I475-M500 HydrophobicContact CG2-CE 4.32Å; I475-I501 HydrophobicContact CD1-CG2 4.45Å; I475-I501 HydrophobicContact CG1-CG1 4.46Å; I475-I501 HydrophobicContact CG2-CB 3.7Å; I475-I501 HydrophobicContact CG2-CD1 4.36Å; I475-I501 HydrophobicContact CG2-CG1 4.28Å; I475-I501 HydrophobicContact CG2-CG2 4.28Å
476V92.3Very high87.5Confident0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-64.4-39.5-177.3174.60000111.6L457 L463 L472 C473 W474 C479 H480 L483 V497 M500L457-V476 HydrophobicContact CD2-CG1 3.97Å; L463-V476 HydrophobicContact CD1-CG2 3.79Å; L463-V476 HydrophobicContact CD2-CG1 4.3Å; L463-V476 HydrophobicContact CG-CG2 4.42Å; L472-V476 WeakPolarHBondContact O-CB 3.3Å; L472-V476 VanDerWaalsContact O-CG2 3.26Å; L472-V476 WeakPolarHBondContact O-CG2 3.36Å; L472-V476 PolarHBondContact O-N 3.16Å; C473-V476 PolarHBondContact O-N 2.76Å; W474-V476 VanDerWaalsContact C-N 3.34Å; W474-V476 PolarHBondContact O-N 3Å; V476-C479 CarbonylContact O-C 3.55Å; V476-H480 PolarHBondContact O-N 2.89Å; V476-L483 HydrophobicContact CG1-CD2 3.82Å; V476-V497 HydrophobicContact CG2-CG1 4.16Å; V476-V497 HydrophobicContact CG2-CG2 4.34Å; V476-M500 HydrophobicContact CG2-CE 4.21Å
477S91.7Very high86Confident1 Ų130.2 Ų30.21%0.00718%0.18CC..Hα-helixtrans-68-40.2176.2-53.80000111.5H443 H444 C473 W474 I475 H480H443-S477 WeakPolarHBondContact ND1-CB 3.33Å; H444-S477 PolarHBondContact CE1-O 2.86Å; H444-S477 PolarHBondContact NE2-O 2.79Å; C473-S477 WeakPolarHBondContact O-CB 3.44Å; C473-S477 PolarHBondContact O-N 3.4Å; C473-S477 PolarHBondContact O-OG 3.05Å; W474-S477 PolarHBondContact O-N 2.86Å; I475-S477 VanDerWaalsContact C-N 3.33Å; I475-S477 PolarHBondContact O-N 2.9Å; S477-H480 WeakPolarHBondContact O-CB 3.25Å; S477-H480 PolarHBondContact O-N 3.49Å; S477-H480 PolarHBondContact O-ND1 2.98Å
478Q88.1Confident83.9Confident55 Ų5540 Ų4026%0.25723%0.226SC..Hα-helixtrans-63.3-44.7176.2-173.364.418.300111.7W474 I475 H480 I501W474-Q478 HydrophobicContact CH2-CB 4.08Å; W474-Q478 HydrophobicContact CH2-CG 3.98Å; W474-Q478 HydrophobicContact CZ2-CB 4Å; W474-Q478 HydrophobicContact CZ2-CG 3.9Å; W474-Q478 WeakPolarHBondContact O-CB 3.27Å; W474-Q478 PolarHBondContact O-N 3.48Å; I475-Q478 PolarHBondContact O-N 2.96Å; Q478-H480 VanDerWaalsContact C-N 3.29Å; Q478-H480 PolarHBondContact O-N 2.88Å; Q478-H480 PolarHBondContact O-ND1 2.95Å; Q478-I501 HydrophobicContact CG-CD1 4.34Å
479C89.3Confident82.3Confident0 Ų041.1 Ų41.10%025%0.245CC..THydrogen-bonded Turntrans-90.729.3-179.6-58.20000113.7I475 V476 K481 E482 L483 M500 I501I475-C479 WeakPolarHBondContact O-CB 3.28Å; I475-C479 PolarHBondContact O-N 3.3Å; I475-C479 PolarHBondContact O-SG 3.29Å; V476-C479 CarbonylContact O-C 3.55Å; C479-K481 PolarHBondContact O-N 3.28Å; C479-K481 VanDerWaalsContact O-N 3.16Å; C479-E482 VanDerWaalsContact C-OE2 3.31Å; C479-E482 VanDerWaalsContact CA-OE2 3.28Å; C479-E482 WeakPolarHBondContact CA-OE2 3.49Å; C479-E482 HydrophobicContact CB-CB 4.49Å; C479-E482 PolarHBondContact O-N 3.46Å; C479-L483 WeakPolarHBondContact O-CB 3.21Å; C479-L483 PolarHBondContact O-N 2.97Å; C479-M500 HydrophobicContact CB-CE 3.66Å; C479-M500 HydrophobicContact CB-CG 3.62Å; C479-M500 HydrophobicContact CB-SD 3.69Å; C479-I501 WeakPolarHBondContact SG-CD1 3.33Å
480H88.1Confident81.3Confident25 Ų2541.4 Ų41.412%0.11625%0.247CC..Hα-helixtrans-58.2-29.5-177.164.2-79.6000113.2H444 E449 V453 V476 S477 Q478 L484H444-H480 AromaticContact CE1-CG 3.61Å; H444-H480 AromaticContact CE1-ND1 3.5Å; H444-H480 PolarHBondContact CE1-ND1 3.47Å; E449-H480 IonicContact OE2-NE2 2.8Å; V453-H480 HydrophobicContact CG2-CB 3.52Å; V476-H480 PolarHBondContact O-N 2.89Å; S477-H480 WeakPolarHBondContact O-CB 3.25Å; S477-H480 PolarHBondContact O-N 3.49Å; S477-H480 PolarHBondContact O-ND1 2.98Å; Q478-H480 VanDerWaalsContact C-N 3.29Å; Q478-H480 PolarHBondContact O-N 2.88Å; Q478-H480 PolarHBondContact O-ND1 2.95Å; H480-L484 WeakPolarHBondContact O-CB 3.15Å; H480-L484 WeakPolarHBondContact O-CG 3.27Å; H480-L484 PolarHBondContact O-N 3.27Å
481K85.5Confident80.8Confident134 Ų13441.1 Ų41.158%0.58325%0.245SC*.Hα-helixtrans-70.2-43.3178.8-65.4-178.9-178.8169.20111.5C479 G485C479-K481 PolarHBondContact O-N 3.28Å; C479-K481 VanDerWaalsContact O-N 3.16Å; K481-G485 PolarHBondContact O-N 3.36Å
482E85.6Confident80.6Confident27 Ų2743.7 Ų43.713%0.12626%0.255CS..Hα-helixtrans-67.5-40.5175.4-63.880.4177.500110.7C479 G485 C486 M500 H504C479-E482 VanDerWaalsContact C-OE2 3.31Å; C479-E482 VanDerWaalsContact CA-OE2 3.28Å; C479-E482 WeakPolarHBondContact CA-OE2 3.49Å; C479-E482 HydrophobicContact CB-CB 4.49Å; C479-E482 PolarHBondContact O-N 3.46Å; E482-G485 PolarHBondContact O-N 3.38Å; E482-C486 PolarHBondContact O-N 2.75Å; E482-C486 VanDerWaalsContact O-N 3.08Å; E482-C486 PolarHBondContact O-SG 3.25Å; E482-M500 HydrophobicContact CB-CG 3.91Å; E482-M500 HydrophobicContact CB-SD 4.25Å; E482-H504 IonicContact OE1-CE1 3.19Å; E482-H504 IonicContact OE1-CG 2.98Å; E482-H504 IonicContact OE1-ND1 3.13Å; E482-H504 PolarHBondContact OE1-ND1 3.22Å; E482-H504 IonicContact OE2-ND1 2.63Å; E482-H504 PolarHBondContact OE2-ND1 3.45Å
483L85.6Confident80.6Confident9 Ų943.5 Ų43.55%0.04725%0.254CS..Hα-helixtrans-57.3-52.4173.617769000111.4V453 L463 V476 C479 G485 C486 L491 M500V453-L483 HydrophobicContact CG1-CD2 4.42Å; L463-L483 HydrophobicContact CD2-CD1 3.59Å; V476-L483 HydrophobicContact CG1-CD2 3.82Å; C479-L483 WeakPolarHBondContact O-CB 3.21Å; C479-L483 PolarHBondContact O-N 2.97Å; L483-G485 PolarHBondContact O-N 3Å; L483-C486 WeakPolarHBondContact O-CB 3.49Å; L483-C486 PolarHBondContact O-N 2.67Å; L483-C486 VanDerWaalsContact O-N 3.14Å; L483-L491 HydrophobicContact CD1-CD1 3.65Å; L483-M500 HydrophobicContact CB-SD 4.32Å
484L82.8Confident80.6Confident81 Ų8145.4 Ų45.442%0.42426%0.264SS..Hα-helixtrans-71.5-20.1-178.8-65.6172.4000112.9K452 H480K452-L484 HydrophobicContact CB-CD1 4.21Å; K452-L484 HydrophobicContact CB-CD2 4.08Å; K452-L484 HydrophobicContact CD-CD1 4.49Å; H480-L484 WeakPolarHBondContact O-CB 3.15Å; H480-L484 WeakPolarHBondContact O-CG 3.27Å; H480-L484 PolarHBondContact O-N 3.27Å
485G72.9Confident80.8Confident54 Ų5443.4 Ų43.456%0.55726%0.256SS*.Hα-helixtrans-82.7-13.2171.900000114.1K481 E482 L483K481-G485 PolarHBondContact O-N 3.36Å; E482-G485 PolarHBondContact O-N 3.38Å; L483-G485 PolarHBondContact O-N 3Å
486C66Low80.8Confident52 Ų5243.6 Ų43.635%0.35126%0.257SS..SBendtrans-78.4137.7173.9-74.40000110.8E482 L483 S490E482-C486 PolarHBondContact O-N 2.75Å; E482-C486 VanDerWaalsContact O-N 3.08Å; E482-C486 PolarHBondContact O-SG 3.25Å; L483-C486 WeakPolarHBondContact O-CB 3.49Å; L483-C486 PolarHBondContact O-N 2.67Å; L483-C486 VanDerWaalsContact O-N 3.14Å; C486-S490 WeakPolarHBondContact CB-OG 3.47Å
487G57.1Low80.9Confident56 Ų5643.6 Ų43.658%0.57726%0.257SS*.PPolyproline II helixtrans-62155.7169.100000112.1G489 S490G487-G489 PolarHBondContact O-N 3.47Å; G487-S490 PolarHBondContact O-N 2.84Å
488E47.9Very low81Confident206 Ų20643.6 Ų43.696%0.96326%0.257SS*.THydrogen-bonded Turntrans-50.2132.4178.6-71.5-178171.100112
489G54.3Low81.2Confident50 Ų5041.4 Ų41.452%0.51525%0.247SC..THydrogen-bonded Turntrans83.88172.800000116.6G487 Q492G487-G489 PolarHBondContact O-N 3.47Å; G489-Q492 PolarHBondContact O-NE2 3.08Å
490S67.3Low81.3Confident32 Ų3241.7 Ų41.722%0.22425%0.249CC..  trans-75-42.7-177.287.60000113.5C486 G487 R665C486-S490 WeakPolarHBondContact CB-OG 3.47Å; G487-S490 PolarHBondContact O-N 2.84Å; S490-R665 PolarHBondContact O-NH1 2.81Å; S490-R665 PolarHBondContact O-NH2 2.93Å
491L82.2Confident81.4Confident11 Ų1140.5 Ų40.56%0.05824%0.243CC..  trans-97.1121.3-171.9-56170.7000111.8N460 L483 D496 M500N460-L491 PolarHBondContact ND2-O 3.22Å; L483-L491 HydrophobicContact CD1-CD1 3.65Å; L491-D496 HydrophobicContact CB-CB 4.36Å; L491-D496 HydrophobicContact CD2-CB 3.8Å; L491-M500 HydrophobicContact CD1-CE 4.33Å; L491-M500 HydrophobicContact CD1-SD 3.7Å
492Q86.1Confident81.6Confident76 Ų7634.2 Ų34.236%0.35522%0.216SC..  trans-133.9-29.2-176-61.3-177.78.600113.6G489 D496 Y726G489-Q492 PolarHBondContact O-NE2 3.08Å; Q492-D496 PolarHBondContact N-OD2 2.85Å; Q492-Y726 PolarHBondContact O-OH 3.05Å
493T92.7Very high81.8Confident3 Ų334.7 Ų34.72%0.01822%0.218CC..SBendtrans-111.4165.2-170.191.90000112.3T495 D496 V497 Y726 E727 Q729T493-T495 PolarHBondContact O-N 2.94Å; T493-T495 PolarHBondContact OG1-N 2.98Å; T493-D496 PolarHBondContact N-OD2 3.28Å; T493-D496 WeakPolarHBondContact O-CB 3.38Å; T493-D496 PolarHBondContact O-N 3.5Å; T493-D496 PolarHBondContact OG1-N 2.91Å; T493-V497 PolarHBondContact O-N 3.16Å; T493-Y726 HydrophobicContact CG2-CE1 4.17Å; T493-E727 VanDerWaalsContact CB-CD 3.46Å; T493-E727 VanDerWaalsContact CB-OE1 3.28Å; T493-E727 WeakPolarHBondContact CB-OE1 3.26Å; T493-E727 WeakPolarHBondContact CB-OE2 3.37Å; T493-E727 PolarHBondContact OG1-OE2 3.16Å; T493-Q729 HydrophobicContact CG2-CG 3.97Å
494I93.9Very high81.8Confident39 Ų3934.7 Ų34.720%0.222%0.218CC..Hα-helixtrans-64.6-36.1176.1-156.4174.7000110.2L466 L472 D496 V497 Y498 F657 E727L466-I494 HydrophobicContact CD2-CB 4.41Å; L472-I494 HydrophobicContact CD1-CD1 4.03Å; L472-I494 HydrophobicContact CD1-CG1 3.97Å; L472-I494 HydrophobicContact CD2-CD1 4.14Å; L472-I494 HydrophobicContact CD2-CG1 3.83Å; I494-D496 VanDerWaalsContact C-N 3.28Å; I494-D496 PolarHBondContact O-N 3.08Å; I494-V497 PolarHBondContact O-N 3.33Å; I494-Y498 HydrophobicContact CD1-CE2 4.21Å; I494-Y498 HydrophobicContact CG1-CD2 4Å; I494-Y498 HydrophobicContact CG1-CE2 3.89Å; I494-Y498 WeakPolarHBondContact O-CD2 3.35Å; I494-Y498 PolarHBondContact O-N 3.44Å; I494-F657 HydrophobicContact CG1-CE1 4.45Å; I494-F657 HydrophobicContact CG2-CD1 4.27Å; I494-F657 HydrophobicContact CG2-CE1 3.76Å; I494-F657 HydrophobicContact CG2-CZ 4.39Å; I494-E727 HydrophobicContact CG2-CG 4.48Å; I494-E727 WeakPolarHBondContact CG2-OE1 3.34Å; I494-E727 PolarHBondContact N-OE1 3.26Å
495T95.3Very high82Confident0 Ų031.2 Ų31.20%020%0.199CC..Hα-helixtrans-61.3-36.6176.3-53.60000112T493 V497 Y498 L499 F590 L661 E727T493-T495 PolarHBondContact O-N 2.94Å; T493-T495 PolarHBondContact OG1-N 2.98Å; T495-V497 VanDerWaalsContact C-N 3.34Å; T495-V497 PolarHBondContact O-N 2.89Å; T495-Y498 PolarHBondContact O-N 2.67Å; T495-L499 HydrophobicContact CG2-CD1 4.08Å; T495-L499 HydrophobicContact CG2-CG 4.42Å; T495-L499 WeakPolarHBondContact O-CB 3.27Å; T495-L499 WeakPolarHBondContact O-CG 3.32Å; T495-L499 PolarHBondContact O-N 3.04Å; T495-F590 HydrophobicContact CG2-CE2 4.44Å; T495-L661 HydrophobicContact CG2-CD2 3.94Å; T495-L661 HydrophobicContact CG2-CG 3.91Å; T495-E727 WeakPolarHBondContact CB-OE2 3.25Å; T495-E727 PolarHBondContact N-OE2 2.63Å; T495-E727 VanDerWaalsContact N-OE2 3.09Å; T495-E727 PolarHBondContact OG1-OE2 3.38Å
496D92.7Very high82.6Confident4 Ų429 Ų292%0.02117%0.174CC..Hα-helixtrans-59.8-44.9175.6-62.9-22.2000111.3L491 Q492 T493 I494 L499 M500 R665 Y666L491-D496 HydrophobicContact CB-CB 4.36Å; L491-D496 HydrophobicContact CD2-CB 3.8Å; Q492-D496 PolarHBondContact N-OD2 2.85Å; T493-D496 PolarHBondContact N-OD2 3.28Å; T493-D496 WeakPolarHBondContact O-CB 3.38Å; T493-D496 PolarHBondContact O-N 3.5Å; T493-D496 PolarHBondContact OG1-N 2.91Å; I494-D496 VanDerWaalsContact C-N 3.28Å; I494-D496 PolarHBondContact O-N 3.08Å; D496-L499 PolarHBondContact O-N 3.35Å; D496-M500 WeakPolarHBondContact O-CB 3.36Å; D496-M500 PolarHBondContact O-N 3Å; D496-R665 VanDerWaalsContact CG-NH1 3.33Å; D496-R665 IonicContact OD1-CZ 3.9Å; D496-R665 IonicContact OD1-NH1 3.8Å; D496-R665 PolarHBondContact OD1-NH1 3.38Å; D496-R665 IonicContact OD2-NH1 3.17Å; D496-R665 PolarHBondContact OD2-NH1 3Å; D496-Y666 WeakPolarHBondContact OD1-CE2 3.08Å; D496-Y666 VanDerWaalsContact OD1-CZ 3.29Å; D496-Y666 PolarHBondContact OD1-OH 3.41Å
497V93.7Very high83.3Confident0 Ų029.2 Ų29.20%017%0.17CC..Hα-helixtrans-65.1-40.1178.41780000111.3L463 L466 L472 I475 V476 T493 I494 T495 M500 I501L463-V497 HydrophobicContact CD1-CG2 3.81Å; L466-V497 HydrophobicContact CD1-CG2 3.9Å; L472-V497 HydrophobicContact CD2-CG1 4.15Å; I475-V497 HydrophobicContact CB-CG1 3.84Å; I475-V497 HydrophobicContact CD1-CG1 4.19Å; I475-V497 HydrophobicContact CG2-CG1 3.38Å; V476-V497 HydrophobicContact CG2-CG1 4.16Å; V476-V497 HydrophobicContact CG2-CG2 4.34Å; T493-V497 PolarHBondContact O-N 3.16Å; I494-V497 PolarHBondContact O-N 3.33Å; T495-V497 VanDerWaalsContact C-N 3.34Å; T495-V497 PolarHBondContact O-N 2.89Å; V497-M500 WeakPolarHBondContact O-CB 3.2Å; V497-M500 PolarHBondContact O-N 3.25Å; V497-I501 PolarHBondContact O-N 2.95Å; V497-I501 VanDerWaalsContact O-N 3.13Å
498Y94.4Very high84.2Confident2 Ų231.9 Ų31.91%0.00817%0.167CC..Hα-helixtrans-73.3-31.1177.9-84.8-89.6000113.8L472 I475 I494 T495 M500 I501 L502 T586 L587 F590 F657L472-Y498 HydrophobicContact CD2-CD2 4.48Å; L472-Y498 HydrophobicContact CD2-CE2 3.69Å; I475-Y498 HydrophobicContact CD1-CE1 4.07Å; I475-Y498 HydrophobicContact CD1-CE2 4.17Å; I494-Y498 HydrophobicContact CD1-CE2 4.21Å; I494-Y498 HydrophobicContact CG1-CD2 4Å; I494-Y498 HydrophobicContact CG1-CE2 3.89Å; I494-Y498 WeakPolarHBondContact O-CD2 3.35Å; I494-Y498 PolarHBondContact O-N 3.44Å; T495-Y498 PolarHBondContact O-N 2.67Å; Y498-M500 VanDerWaalsContact C-N 3.34Å; Y498-I501 HydrophobicContact CD1-CG2 4.34Å; Y498-I501 VanDerWaalsContact O-CG2 3.24Å; Y498-I501 WeakPolarHBondContact O-CG2 3.41Å; Y498-L502 WeakPolarHBondContact O-CB 3.38Å; Y498-L502 PolarHBondContact O-N 3.02Å; Y498-L502 VanDerWaalsContact O-N 3.09Å; Y498-T586 WeakPolarHBondContact OH-CB 2.96Å; Y498-T586 PolarHBondContact OH-OG1 3.07Å; Y498-L587 HydrophobicContact CD1-CD1 4.21Å; Y498-L587 HydrophobicContact CE1-CB 4.42Å; Y498-L587 HydrophobicContact CE1-CD1 4.33Å; Y498-F590 HydrophobicContact CD1-CB 3.94Å; Y498-F590 HydrophobicContact CD1-CD1 4.14Å; Y498-F590 AromaticContact CD1-CG 3.95Å; Y498-F590 HydrophobicContact CD1-CG 3.95Å; Y498-F590 HydrophobicContact CG-CB 4.37Å; Y498-F590 HydrophobicContact CG-CD2 4.24Å; Y498-F590 HydrophobicContact CG-CG 4.13Å; Y498-F590 WeakPolarHBondContact O-CE1 3.37Å; Y498-F657 HydrophobicContact CD1-CZ 4.24Å; Y498-F657 AromaticContact CD2-CE1 3.46Å; Y498-F657 HydrophobicContact CD2-CE1 3.46Å; Y498-F657 VanDerWaalsContact CD2-CE1 3.46Å; Y498-F657 AromaticContact CD2-CZ 3.46Å; Y498-F657 HydrophobicContact CD2-CZ 3.46Å; Y498-F657 VanDerWaalsContact CD2-CZ 3.46Å; Y498-F657 HydrophobicContact CE1-CZ 4.44Å; Y498-F657 HydrophobicContact CE2-CE1 4.11Å; Y498-F657 AromaticContact CE2-CZ 3.66Å; Y498-F657 HydrophobicContact CE2-CZ 3.66Å; Y498-F657 AromaticContact CG-CE1 3.74Å; Y498-F657 HydrophobicContact CG-CE1 3.74Å; Y498-F657 AromaticContact CG-CZ 3.78Å; Y498-F657 HydrophobicContact CG-CZ 3.78Å
499L92.4Very high85.2Confident8 Ų826.7 Ų26.74%0.04214%0.143CC..Hα-helixtrans-68.5-36.2170.2-78.7168.2000111.6T495 D496 L502 Q503 F590 L661 Y666 L669T495-L499 HydrophobicContact CG2-CD1 4.08Å; T495-L499 HydrophobicContact CG2-CG 4.42Å; T495-L499 WeakPolarHBondContact O-CB 3.27Å; T495-L499 WeakPolarHBondContact O-CG 3.32Å; T495-L499 PolarHBondContact O-N 3.04Å; D496-L499 PolarHBondContact O-N 3.35Å; L499-L502 HydrophobicContact CD2-CD2 4.42Å; L499-L502 PolarHBondContact O-N 3.26Å; L499-Q503 WeakPolarHBondContact O-CB 3.26Å; L499-Q503 PolarHBondContact O-N 2.93Å; L499-F590 HydrophobicContact CD2-CZ 4.01Å; L499-F590 HydrophobicContact CG-CE2 4.43Å; L499-F590 HydrophobicContact CG-CZ 4.11Å; L499-L661 HydrophobicContact CD1-CD2 4.16Å; L499-L661 HydrophobicContact CD2-CD2 3.93Å; L499-L661 HydrophobicContact CG-CD2 4.19Å; L499-Y666 HydrophobicContact CD1-CD1 3.65Å; L499-Y666 HydrophobicContact CD1-CD2 3.7Å; L499-Y666 HydrophobicContact CD1-CE1 3.41Å; L499-Y666 VanDerWaalsContact CD1-CE1 3.41Å; L499-Y666 HydrophobicContact CD1-CE2 3.46Å; L499-Y666 VanDerWaalsContact CD1-CE2 3.46Å; L499-Y666 HydrophobicContact CD1-CG 3.8Å; L499-L669 HydrophobicContact CD2-CD2 4.29Å
500M90.3Very high85.6Confident7 Ų727.1 Ų27.13%0.03414%0.138CC..Hα-helixtrans-62.9-46.8176.2-174.7177.159.100111.8I475 V476 C479 E482 L483 L491 D496 V497 Y498 Q503 H504I475-M500 HydrophobicContact CG2-CE 4.32Å; V476-M500 HydrophobicContact CG2-CE 4.21Å; C479-M500 HydrophobicContact CB-CE 3.66Å; C479-M500 HydrophobicContact CB-CG 3.62Å; C479-M500 HydrophobicContact CB-SD 3.69Å; E482-M500 HydrophobicContact CB-CG 3.91Å; E482-M500 HydrophobicContact CB-SD 4.25Å; L483-M500 HydrophobicContact CB-SD 4.32Å; L491-M500 HydrophobicContact CD1-CE 4.33Å; L491-M500 HydrophobicContact CD1-SD 3.7Å; D496-M500 WeakPolarHBondContact O-CB 3.36Å; D496-M500 PolarHBondContact O-N 3Å; V497-M500 WeakPolarHBondContact O-CB 3.2Å; V497-M500 PolarHBondContact O-N 3.25Å; Y498-M500 VanDerWaalsContact C-N 3.34Å; M500-Q503 PolarHBondContact O-N 2.83Å; M500-H504 WeakPolarHBondContact O-CB 3.42Å; M500-H504 PolarHBondContact O-N 3.31Å
501I90.6Very high84.8Confident0 Ų032.4 Ų32.40%017%0.169CC..Hα-helixtrans-68.2-34.7176.7-166.864.4000112.8W474 I475 Q478 C479 V497 Y498 H504 F505W474-I501 HydrophobicContact CH2-CD1 4.15Å; W474-I501 HydrophobicContact CZ3-CD1 4.33Å; I475-I501 HydrophobicContact CD1-CG2 4.45Å; I475-I501 HydrophobicContact CG1-CG1 4.46Å; I475-I501 HydrophobicContact CG2-CB 3.7Å; I475-I501 HydrophobicContact CG2-CD1 4.36Å; I475-I501 HydrophobicContact CG2-CG1 4.28Å; I475-I501 HydrophobicContact CG2-CG2 4.28Å; Q478-I501 HydrophobicContact CG-CD1 4.34Å; C479-I501 WeakPolarHBondContact SG-CD1 3.33Å; V497-I501 PolarHBondContact O-N 2.95Å; V497-I501 VanDerWaalsContact O-N 3.13Å; Y498-I501 HydrophobicContact CD1-CG2 4.34Å; Y498-I501 VanDerWaalsContact O-CG2 3.24Å; Y498-I501 WeakPolarHBondContact O-CG2 3.41Å; I501-H504 HydrophobicContact CD1-CB 4.48Å; I501-H504 WeakPolarHBondContact O-CB 3.38Å; I501-H504 PolarHBondContact O-N 3.37Å; I501-F505 HydrophobicContact CD1-CE1 4.33Å; I501-F505 HydrophobicContact CD1-CE2 3.83Å; I501-F505 HydrophobicContact CD1-CZ 3.58Å; I501-F505 HydrophobicContact CG1-CD2 4.14Å; I501-F505 HydrophobicContact CG1-CE2 3.43Å; I501-F505 VanDerWaalsContact CG1-CE2 3.43Å; I501-F505 HydrophobicContact CG1-CZ 3.74Å; I501-F505 VanDerWaalsContact O-CD2 3.27Å; I501-F505 WeakPolarHBondContact O-CD2 3.4Å; I501-F505 PolarHBondContact O-N 3.18Å; I501-F505 VanDerWaalsContact O-N 3.1Å
502L91.1Very high83.3Confident1 Ų136.9 Ų36.91%0.00520%0.197CC..Hα-helixtrans-61.7-46.8173.8-177.169000111.1Y498 L499 F505 F506 W520 L521 F565 F590 L591 L594Y498-L502 WeakPolarHBondContact O-CB 3.38Å; Y498-L502 PolarHBondContact O-N 3.02Å; Y498-L502 VanDerWaalsContact O-N 3.09Å; L499-L502 HydrophobicContact CD2-CD2 4.42Å; L499-L502 PolarHBondContact O-N 3.26Å; L502-F505 PolarHBondContact O-N 3.34Å; L502-F506 HydrophobicContact CD1-CD2 4.22Å; L502-F506 HydrophobicContact CD1-CE2 3.42Å; L502-F506 VanDerWaalsContact CD1-CE2 3.42Å; L502-F506 HydrophobicContact CD1-CZ 3.88Å; L502-F506 HydrophobicContact CD2-CE2 4.34Å; L502-F506 HydrophobicContact CG-CD2 4.12Å; L502-F506 HydrophobicContact CG-CE2 3.66Å; L502-F506 VanDerWaalsContact O-CD2 3.24Å; L502-F506 WeakPolarHBondContact O-CD2 3.43Å; L502-F506 PolarHBondContact O-N 2.85Å; L502-W520 HydrophobicContact CB-CH2 4.39Å; L502-W520 HydrophobicContact CD2-CH2 3.81Å; L502-W520 HydrophobicContact CD2-CZ3 3.89Å; L502-W520 HydrophobicContact CG-CH2 4.01Å; L502-W520 HydrophobicContact CG-CZ3 3.85Å; L502-L521 HydrophobicContact CD2-CD1 4.02Å; L502-F565 HydrophobicContact CD1-CE1 3.82Å; L502-F565 HydrophobicContact CD1-CZ 3.58Å; L502-F590 HydrophobicContact CB-CE1 4.05Å; L502-F590 HydrophobicContact CD2-CE1 3.92Å; L502-F590 HydrophobicContact CD2-CZ 4.19Å; L502-F590 HydrophobicContact CG-CE1 4.39Å; L502-L591 HydrophobicContact CD1-CD2 4.39Å; L502-L594 HydrophobicContact CD2-CD1 3.69Å
503Q87.8Confident81.3Confident38 Ų3843.4 Ų43.418%0.17822%0.224CC..Hα-helixtrans-61.9-44.7176.3-178.7177-2.700111.3L499 M500 F505 F506 Q507 W520L499-Q503 WeakPolarHBondContact O-CB 3.26Å; L499-Q503 PolarHBondContact O-N 2.93Å; M500-Q503 PolarHBondContact O-N 2.83Å; Q503-F505 PolarHBondContact O-N 2.92Å; Q503-F506 PolarHBondContact O-N 3.11Å; Q503-Q507 HydrophobicContact CG-CG 4.21Å; Q503-Q507 WeakPolarHBondContact O-CB 3.33Å; Q503-Q507 VanDerWaalsContact O-CG 3.31Å; Q503-Q507 WeakPolarHBondContact O-CG 3.34Å; Q503-Q507 PolarHBondContact O-N 3.21Å; Q503-W520 HydrophobicContact CB-CD2 4.38Å; Q503-W520 HydrophobicContact CB-CH2 4.06Å; Q503-W520 HydrophobicContact CB-CZ2 3.79Å; Q503-W520 HydrophobicContact CB-CZ3 4.46Å; Q503-W520 HydrophobicContact CG-CD2 4.18Å; Q503-W520 HydrophobicContact CG-CG 4.44Å; Q503-W520 HydrophobicContact CG-CZ2 4.22Å
504H87.6Confident78.9Confident8 Ų846.7 Ų46.74%0.03725%0.247CC..Hα-helixtrans-54.1-49.8178.1-179.583.1000111.6E482 M500 I501 F506 Q507 H508E482-H504 IonicContact OE1-CE1 3.19Å; E482-H504 IonicContact OE1-CG 2.98Å; E482-H504 IonicContact OE1-ND1 3.13Å; E482-H504 PolarHBondContact OE1-ND1 3.22Å; E482-H504 IonicContact OE2-ND1 2.63Å; E482-H504 PolarHBondContact OE2-ND1 3.45Å; M500-H504 WeakPolarHBondContact O-CB 3.42Å; M500-H504 PolarHBondContact O-N 3.31Å; I501-H504 HydrophobicContact CD1-CB 4.48Å; I501-H504 WeakPolarHBondContact O-CB 3.38Å; I501-H504 PolarHBondContact O-N 3.37Å; H504-F506 PolarHBondContact O-N 3.11Å; H504-Q507 PolarHBondContact O-N 3.29Å; H504-H508 AromaticContact CD2-CD2 3.78Å; H504-H508 AromaticContact CE1-CD2 3.23Å; H504-H508 PolarHBondContact CE1-CD2 2.91Å; H504-H508 AromaticContact CE1-NE2 2.99Å; H504-H508 PolarHBondContact CE1-NE2 2.81Å; H504-H508 AromaticContact CG-CD2 3.8Å; H504-H508 AromaticContact ND1-CD2 3.46Å; H504-H508 PolarHBondContact ND1-CD2 3.46Å; H504-H508 AromaticContact ND1-NE2 3.54Å; H504-H508 AromaticContact NE2-CD2 3.44Å; H504-H508 PolarHBondContact NE2-CD2 2.85Å; H504-H508 AromaticContact NE2-NE2 3.52Å; H504-H508 WeakPolarHBondContact O-CB 3.41Å; H504-H508 PolarHBondContact O-CD2 2.75Å; H504-H508 VanDerWaalsContact O-CD2 3.29Å; H504-H508 PolarHBondContact O-N 3.3Å
505F86.1Confident76.6Confident9 Ų950.3 Ų50.34%0.03927%0.273CS..Hα-helixtrans-62.6-44.9179.5-70.7-44.9000113.5Y230 I501 L502 Q503 Q507 H508 H509 F565Y230-F505 VanDerWaalsContact CB-CE1 3.43Å; Y230-F505 HydrophobicContact CD1-CD1 4.46Å; Y230-F505 HydrophobicContact CD1-CD2 4.37Å; Y230-F505 AromaticContact CD1-CE1 3.57Å; Y230-F505 HydrophobicContact CD1-CE1 3.57Å; Y230-F505 AromaticContact CD1-CE2 3.37Å; Y230-F505 HydrophobicContact CD1-CE2 3.37Å; Y230-F505 AromaticContact CD1-CZ 2.96Å; Y230-F505 HydrophobicContact CD1-CZ 2.96Å; Y230-F505 HydrophobicContact CD2-CE1 4.08Å; Y230-F505 HydrophobicContact CD2-CE2 4.31Å; Y230-F505 AromaticContact CD2-CZ 3.4Å; Y230-F505 HydrophobicContact CD2-CZ 3.4Å; Y230-F505 HydrophobicContact CE1-CD2 4.32Å; Y230-F505 HydrophobicContact CE1-CE1 4.28Å; Y230-F505 AromaticContact CE1-CE2 3.21Å; Y230-F505 HydrophobicContact CE1-CE2 3.21Å; Y230-F505 AromaticContact CE1-CZ 3.26Å; Y230-F505 HydrophobicContact CE1-CZ 3.26Å; Y230-F505 HydrophobicContact CE2-CE2 4.12Å; Y230-F505 AromaticContact CE2-CZ 3.6Å; Y230-F505 HydrophobicContact CE2-CZ 3.6Å; Y230-F505 AromaticContact CG-CE1 3.45Å; Y230-F505 HydrophobicContact CG-CE1 3.45Å; Y230-F505 VanDerWaalsContact CG-CE1 3.45Å; Y230-F505 AromaticContact CG-CE2 3.94Å; Y230-F505 HydrophobicContact CG-CE2 3.94Å; Y230-F505 AromaticContact CG-CZ 3.04Å; Y230-F505 HydrophobicContact CG-CZ 3.04Å; Y230-F505 AromaticContact CZ-CE2 3.6Å; Y230-F505 AromaticContact CZ-CZ 3.55Å; I501-F505 HydrophobicContact CD1-CE1 4.33Å; I501-F505 HydrophobicContact CD1-CE2 3.83Å; I501-F505 HydrophobicContact CD1-CZ 3.58Å; I501-F505 HydrophobicContact CG1-CD2 4.14Å; I501-F505 HydrophobicContact CG1-CE2 3.43Å; I501-F505 VanDerWaalsContact CG1-CE2 3.43Å; I501-F505 HydrophobicContact CG1-CZ 3.74Å; I501-F505 VanDerWaalsContact O-CD2 3.27Å; I501-F505 WeakPolarHBondContact O-CD2 3.4Å; I501-F505 PolarHBondContact O-N 3.18Å; I501-F505 VanDerWaalsContact O-N 3.1Å; L502-F505 PolarHBondContact O-N 3.34Å; Q503-F505 PolarHBondContact O-N 2.92Å; F505-Q507 VanDerWaalsContact C-N 3.31Å; F505-Q507 PolarHBondContact O-N 3.44Å; F505-H508 PolarHBondContact O-N 3.06Å; F505-H509 PolarHBondContact O-CD2 3.19Å; F505-H509 PolarHBondContact O-N 2.87Å; F505-F565 HydrophobicContact CB-CE1 4.45Å; F505-F565 HydrophobicContact CB-CE2 4.07Å; F505-F565 HydrophobicContact CB-CZ 3.69Å; F505-F565 HydrophobicContact CD2-CD1 4.01Å; F505-F565 AromaticContact CD2-CE1 3.36Å; F505-F565 HydrophobicContact CD2-CE1 3.36Å; F505-F565 HydrophobicContact CD2-CE2 4.3Å; F505-F565 AromaticContact CD2-CZ 3.5Å; F505-F565 HydrophobicContact CD2-CZ 3.5Å; F505-F565 VanDerWaalsContact CD2-CZ 3.5Å; F505-F565 HydrophobicContact CE2-CD1 4.39Å; F505-F565 HydrophobicContact CE2-CE1 4.05Å; F505-F565 HydrophobicContact CG-CE1 4.3Å; F505-F565 HydrophobicContact CG-CZ 4.01Å
506F86.2Confident74.3Confident7 Ų756.2 Ų56.23%0.03130%0.303CS..Hα-helixtrans-66.5-34.5179.7-67.3-44.9000112.8L502 Q503 H504 S510 W520 N524 T527 V528 M563 F565L502-F506 HydrophobicContact CD1-CD2 4.22Å; L502-F506 HydrophobicContact CD1-CE2 3.42Å; L502-F506 VanDerWaalsContact CD1-CE2 3.42Å; L502-F506 HydrophobicContact CD1-CZ 3.88Å; L502-F506 HydrophobicContact CD2-CE2 4.34Å; L502-F506 HydrophobicContact CG-CD2 4.12Å; L502-F506 HydrophobicContact CG-CE2 3.66Å; L502-F506 VanDerWaalsContact O-CD2 3.24Å; L502-F506 WeakPolarHBondContact O-CD2 3.43Å; L502-F506 PolarHBondContact O-N 2.85Å; Q503-F506 PolarHBondContact O-N 3.11Å; H504-F506 PolarHBondContact O-N 3.11Å; F506-S510 PolarHBondContact O-N 2.72Å; F506-W520 AromaticContact CD2-CE3 3.62Å; F506-W520 HydrophobicContact CD2-CE3 3.62Å; F506-W520 AromaticContact CD2-CZ3 3.57Å; F506-W520 HydrophobicContact CD2-CZ3 3.57Å; F506-W520 HydrophobicContact CE2-CE3 4.34Å; F506-W520 AromaticContact CE2-CZ3 3.96Å; F506-W520 HydrophobicContact CE2-CZ3 3.96Å; F506-N524 HydrophobicContact CD1-CB 3.62Å; F506-N524 VanDerWaalsContact CD1-CG 3.44Å; F506-N524 HydrophobicContact CD2-CB 4.09Å; F506-N524 HydrophobicContact CE1-CB 3.56Å; F506-N524 HydrophobicContact CE2-CB 3.98Å; F506-N524 HydrophobicContact CG-CB 3.91Å; F506-N524 HydrophobicContact CZ-CB 3.74Å; F506-T527 HydrophobicContact CE1-CG2 4.21Å; F506-V528 HydrophobicContact CE2-CG2 3.77Å; F506-V528 HydrophobicContact CZ-CG2 3.55Å; F506-M563 HydrophobicContact CD1-SD 4.16Å; F506-M563 HydrophobicContact CE1-CG 4.49Å; F506-M563 HydrophobicContact CE1-SD 4.46Å; F506-F565 HydrophobicContact CE1-CE2 4.01Å; F506-F565 HydrophobicContact CE1-CZ 4.48Å; F506-F565 HydrophobicContact CZ-CE2 4.17Å; F506-F565 HydrophobicContact CZ-CZ 4.33Å
507Q80.1Confident72.4Confident56 Ų5656.9 Ų56.926%0.26231%0.311SS..Hα-helixtrans-72.3-38.3178.2-71-174.4-13.900112.4Q503 H504 F505 H509 S510Q503-Q507 HydrophobicContact CG-CG 4.21Å; Q503-Q507 WeakPolarHBondContact O-CB 3.33Å; Q503-Q507 VanDerWaalsContact O-CG 3.31Å; Q503-Q507 WeakPolarHBondContact O-CG 3.34Å; Q503-Q507 PolarHBondContact O-N 3.21Å; H504-Q507 PolarHBondContact O-N 3.29Å; F505-Q507 VanDerWaalsContact C-N 3.31Å; F505-Q507 PolarHBondContact O-N 3.44Å; Q507-H509 VanDerWaalsContact C-N 3.28Å; Q507-H509 PolarHBondContact O-N 2.8Å; Q507-S510 PolarHBondContact O-N 2.86Å; Q507-S510 PolarHBondContact O-OG 3.02Å
508H76.7Confident70.8Confident112 Ų11262.2 Ų62.252%0.51934%0.343SS..Hα-helixtrans-64-30.3178.9-94.3-82.9000113.9H504 F505H504-H508 AromaticContact CD2-CD2 3.78Å; H504-H508 AromaticContact CE1-CD2 3.23Å; H504-H508 PolarHBondContact CE1-CD2 2.91Å; H504-H508 AromaticContact CE1-NE2 2.99Å; H504-H508 PolarHBondContact CE1-NE2 2.81Å; H504-H508 AromaticContact CG-CD2 3.8Å; H504-H508 AromaticContact ND1-CD2 3.46Å; H504-H508 PolarHBondContact ND1-CD2 3.46Å; H504-H508 AromaticContact ND1-NE2 3.54Å; H504-H508 AromaticContact NE2-CD2 3.44Å; H504-H508 PolarHBondContact NE2-CD2 2.85Å; H504-H508 AromaticContact NE2-NE2 3.52Å; H504-H508 WeakPolarHBondContact O-CB 3.41Å; H504-H508 PolarHBondContact O-CD2 2.75Å; H504-H508 VanDerWaalsContact O-CD2 3.29Å; H504-H508 PolarHBondContact O-N 3.3Å; F505-H508 PolarHBondContact O-N 3.06Å
509H68.7Low69.9Low98 Ų9865.4 Ų65.445%0.45436%0.361SS..Hα-helixtrans-93.3-4.8177.3-72.4-78.9000113.9F505 Q507 C562 M563F505-H509 PolarHBondContact O-CD2 3.19Å; F505-H509 PolarHBondContact O-N 2.87Å; Q507-H509 VanDerWaalsContact C-N 3.28Å; Q507-H509 PolarHBondContact O-N 2.8Å; H509-C562 PolarHBondContact CE1-O 3.45Å; H509-C562 PolarHBondContact NE2-O 3.45Å; H509-M563 HydrophobicContact CB-SD 3.93Å
510S62.9Low69.5Low58 Ų5866.2 Ų66.241%0.40636%0.363SS..  trans-79.5125.1177.272.20000111.8F506 Q507 V512F506-S510 PolarHBondContact O-N 2.72Å; Q507-S510 PolarHBondContact O-N 2.86Å; Q507-S510 PolarHBondContact O-OG 3.02Å; S510-V512 VanDerWaalsContact C-N 3.26Å; S510-V512 PolarHBondContact O-N 2.81Å
511T50.2Low69.3Low144 Ų14465.9 Ų65.988%0.88336%0.361SS*.SBendtrans-75.7-14.9177.449.70000113.1
512V49.5Very low69.2Low105 Ų10570.5 Ų70.564%0.63638%0.383SS*.SBendtrans-101.1109.6179.3-176.70000108.9S510 S514S510-V512 VanDerWaalsContact C-N 3.26Å; S510-V512 PolarHBondContact O-N 2.81Å; V512-S514 PolarHBondContact O-N 2.85Å
513K45.3Very low69.1Low212 Ų21277.6 Ų77.692%0.92242%0.416SS*.  trans-69.470.5169.3-69.1-176.1179.3-179.70110.3
514S41.4Very low69.2Low72 Ų7277.2 Ų77.250%0.50342%0.415SS..  trans-73.9135.4168.5175.60000108.8V512 I516V512-S514 PolarHBondContact O-N 2.85Å; S514-I516 PolarHBondContact O-N 2.58Å
515P44.8Very low69.4Low115 Ų11578.7 Ų78.775%0.74742%0.423SS*.SBendtrans-60.3127.5172.326.5-31.8000108.5G517P515-G517 VanDerWaalsContact C-N 3.26Å; P515-G517 WeakPolarHBondContact O-CA 3.43Å; P515-G517 PolarHBondContact O-N 2.88Å
516I48.9Very low69.7Low125 Ų12580.1 Ų80.164%0.64144%0.441SS*.SBendtrans8.174.1174.9-54.8173.7000111.7S514 V518S514-I516 PolarHBondContact O-N 2.58Å; I516-V518 PolarHBondContact O-N 2.92Å
517G52.8Low70Confident18 Ų1880.5 Ų80.519%0.18644%0.444CS..  trans-70.7125.9-161.100000111.1P515 N519 W520P515-G517 VanDerWaalsContact C-N 3.26Å; P515-G517 WeakPolarHBondContact O-CA 3.43Å; P515-G517 PolarHBondContact O-N 2.88Å; G517-N519 PolarHBondContact O-N 2.96Å; G517-W520 PolarHBondContact O-N 3.49Å
518V59.5Low70.7Confident111 Ų11177.9 Ų77.967%0.67343%0.432SS*.THydrogen-bonded Turntrans-58.5-14.9-178.1176.80000113I516 Q672I516-V518 PolarHBondContact O-N 2.92Å; V518-Q672 VanDerWaalsContact CG1-NE2 3.32Å; V518-Q672 PolarHBondContact O-NE2 3.18Å; V518-Q672 PolarHBondContact O-OE1 3.29Å
519N74.4Confident71.5Confident70 Ų7074.9 Ų74.937%0.37442%0.419SS..THydrogen-bonded Turntrans-118.114.6-173.1-61.6-17.4000115.5G517 L521 Q522 E523 Q672G517-N519 PolarHBondContact O-N 2.96Å; N519-L521 PolarHBondContact O-N 3.25Å; N519-L521 VanDerWaalsContact O-N 3.09Å; N519-Q522 WeakPolarHBondContact O-CB 3.36Å; N519-Q522 PolarHBondContact O-N 3.33Å; N519-E523 PolarHBondContact O-N 3.39Å; N519-Q672 PolarHBondContact OD1-NE2 3.31Å
520W84.3Confident72.8Confident24 Ų2473.1 Ų73.19%0.09141%0.411CS..Hα-helixtrans-55.5-33.1-173.864.7-102.4000114.2L502 Q503 F506 G517 N524 L669L502-W520 HydrophobicContact CB-CH2 4.39Å; L502-W520 HydrophobicContact CD2-CH2 3.81Å; L502-W520 HydrophobicContact CD2-CZ3 3.89Å; L502-W520 HydrophobicContact CG-CH2 4.01Å; L502-W520 HydrophobicContact CG-CZ3 3.85Å; Q503-W520 HydrophobicContact CB-CD2 4.38Å; Q503-W520 HydrophobicContact CB-CH2 4.06Å; Q503-W520 HydrophobicContact CB-CZ2 3.79Å; Q503-W520 HydrophobicContact CB-CZ3 4.46Å; Q503-W520 HydrophobicContact CG-CD2 4.18Å; Q503-W520 HydrophobicContact CG-CG 4.44Å; Q503-W520 HydrophobicContact CG-CZ2 4.22Å; F506-W520 AromaticContact CD2-CE3 3.62Å; F506-W520 HydrophobicContact CD2-CE3 3.62Å; F506-W520 AromaticContact CD2-CZ3 3.57Å; F506-W520 HydrophobicContact CD2-CZ3 3.57Å; F506-W520 HydrophobicContact CE2-CE3 4.34Å; F506-W520 AromaticContact CE2-CZ3 3.96Å; F506-W520 HydrophobicContact CE2-CZ3 3.96Å; G517-W520 PolarHBondContact O-N 3.49Å; W520-N524 PolarHBondContact O-N 3.01Å; W520-N524 PolarHBondContact O-ND2 3.25Å; W520-L669 HydrophobicContact CZ2-CD1 4.46Å; W520-L669 HydrophobicContact CZ2-CD2 4.22Å
521L87.2Confident74.3Confident1 Ų170.4 Ų70.41%0.00539%0.392CS..Hα-helixtrans-74.4-34.7179.3-174.267.5000111.8L502 N519 N524 L525 V528 L669L502-L521 HydrophobicContact CD2-CD1 4.02Å; N519-L521 PolarHBondContact O-N 3.25Å; N519-L521 VanDerWaalsContact O-N 3.09Å; L521-N524 CarbonylContact O-C 3.58Å; L521-N524 PolarHBondContact O-N 3.43Å; L521-L525 PolarHBondContact O-N 3.45Å; L521-L525 VanDerWaalsContact O-N 3.12Å; L521-V528 HydrophobicContact CD1-CG2 3.98Å; L521-L669 HydrophobicContact CB-CD1 3.9Å; L521-L669 HydrophobicContact CB-CG 4.49Å; L521-L669 HydrophobicContact CD2-CD1 4.13Å; L521-L669 HydrophobicContact CD2-CD2 4.1Å; L521-L669 HydrophobicContact CD2-CG 3.79Å
522Q88.1Confident76.5Confident96 Ų9663.6 Ų63.645%0.44935%0.35SS..Hα-helixtrans-68.7-39.8178-173.2-176.21.200111.1N519 N524 L525 Q672N519-Q522 WeakPolarHBondContact O-CB 3.36Å; N519-Q522 PolarHBondContact O-N 3.33Å; Q522-N524 VanDerWaalsContact C-N 3.26Å; Q522-N524 PolarHBondContact O-N 2.83Å; Q522-L525 WeakPolarHBondContact O-CB 3.42Å; Q522-L525 PolarHBondContact O-N 3.46Å; Q522-Q672 HydrophobicContact CB-CB 4.42Å
523E87.9Confident78.6Confident150 Ų15061.5 Ų61.570%0.70133%0.333SS*.Hα-helixtrans-61.9-34.4177.7-68.9172.8-177.500112.3N519N519-E523 PolarHBondContact O-N 3.39Å
524N90.2Very high81Confident30 Ų3051.5 Ų51.516%0.1629%0.29CS..THydrogen-bonded Turntrans-105.318-178.2-62.3-80.8000113.2F506 W520 L521 Q522 G526 T527 V528F506-N524 HydrophobicContact CD1-CB 3.62Å; F506-N524 VanDerWaalsContact CD1-CG 3.44Å; F506-N524 HydrophobicContact CD2-CB 4.09Å; F506-N524 HydrophobicContact CE1-CB 3.56Å; F506-N524 HydrophobicContact CE2-CB 3.98Å; F506-N524 HydrophobicContact CG-CB 3.91Å; F506-N524 HydrophobicContact CZ-CB 3.74Å; W520-N524 PolarHBondContact O-N 3.01Å; W520-N524 PolarHBondContact O-ND2 3.25Å; L521-N524 CarbonylContact O-C 3.58Å; L521-N524 PolarHBondContact O-N 3.43Å; Q522-N524 VanDerWaalsContact C-N 3.26Å; Q522-N524 PolarHBondContact O-N 2.83Å; N524-G526 VanDerWaalsContact C-N 3.27Å; N524-G526 PolarHBondContact O-N 3.43Å; N524-T527 PolarHBondContact O-N 3.42Å; N524-V528 WeakPolarHBondContact O-CG2 3.29Å; N524-V528 PolarHBondContact O-N 2.96Å; N524-V528 VanDerWaalsContact O-N 3.11Å
525L91.5Very high83.6Confident39 Ų3948.1 Ų48.120%0.20427%0.266CS..Hα-helixtrans-60.2-35.7-174-179.260.4000112.9L521 Q522 V528 L529 L598 C673L521-L525 PolarHBondContact O-N 3.45Å; L521-L525 VanDerWaalsContact O-N 3.12Å; Q522-L525 WeakPolarHBondContact O-CB 3.42Å; Q522-L525 PolarHBondContact O-N 3.46Å; L525-V528 PolarHBondContact O-N 2.89Å; L525-L529 HydrophobicContact CD1-CD1 4.23Å; L525-L529 HydrophobicContact CD1-CG 4.14Å; L525-L529 HydrophobicContact CG-CD1 4.06Å; L525-L529 HydrophobicContact CG-CG 4.4Å; L525-L529 VanDerWaalsContact O-CG 3.31Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.41Å; L525-L598 HydrophobicContact CD1-CD1 3.91Å; L525-C673 HydrophobicContact CD1-CB 4Å; L525-C673 HydrophobicContact CD2-CB 4.23Å
526G92.4Very high85.8Confident40 Ų4044.7 Ų44.741%0.41224%0.24SC..Hα-helixtrans-58.4-53.5176.700000111.7N524 V528 L529 H530N524-G526 VanDerWaalsContact C-N 3.27Å; N524-G526 PolarHBondContact O-N 3.43Å; G526-V528 VanDerWaalsContact C-N 3.34Å; G526-V528 PolarHBondContact O-N 3.21Å; G526-L529 PolarHBondContact O-N 3.42Å; G526-L529 VanDerWaalsContact O-N 3.1Å; G526-H530 VanDerWaalsContact O-CG 3.3Å; G526-H530 PolarHBondContact O-N 2.88Å
527T93.1Very high87.7Confident15 Ų1542.2 Ų42.29%0.09223%0.225CC..Hα-helixtrans-57.7-44.5176.8-56.10000112.4F506 N524 L529 H530 L531 D560 M563F506-T527 HydrophobicContact CE1-CG2 4.21Å; N524-T527 PolarHBondContact O-N 3.42Å; T527-L529 VanDerWaalsContact C-N 3.29Å; T527-L529 PolarHBondContact O-N 3.15Å; T527-H530 PolarHBondContact O-N 2.75Å; T527-L531 HydrophobicContact CG2-CD1 3.72Å; T527-L531 HydrophobicContact CG2-CG 4.23Å; T527-L531 WeakPolarHBondContact O-CB 3.49Å; T527-L531 WeakPolarHBondContact O-CG 3.33Å; T527-L531 PolarHBondContact O-N 2.98Å; T527-D560 VanDerWaalsContact CA-OD1 3.32Å; T527-D560 WeakPolarHBondContact CA-OD1 3.33Å; T527-D560 WeakPolarHBondContact CB-OD1 3.47Å; T527-D560 HydrophobicContact CG2-CB 3.99Å; T527-D560 WeakPolarHBondContact CG2-OD1 3.2Å; T527-D560 PolarHBondContact OG1-OD1 3.5Å; T527-M563 HydrophobicContact CG2-CG 4.11Å
528V93.9Very high89.5Confident1 Ų141.5 Ų41.51%0.00622%0.218CC..Hα-helixtrans-60.8-39.1177.2174.60000111.4F506 L521 N524 L525 G526 G532 L594 L598F506-V528 HydrophobicContact CE2-CG2 3.77Å; F506-V528 HydrophobicContact CZ-CG2 3.55Å; L521-V528 HydrophobicContact CD1-CG2 3.98Å; N524-V528 WeakPolarHBondContact O-CG2 3.29Å; N524-V528 PolarHBondContact O-N 2.96Å; N524-V528 VanDerWaalsContact O-N 3.11Å; L525-V528 PolarHBondContact O-N 2.89Å; G526-V528 VanDerWaalsContact C-N 3.34Å; G526-V528 PolarHBondContact O-N 3.21Å; V528-G532 WeakPolarHBondContact O-CA 3.18Å; V528-G532 PolarHBondContact O-N 3.39Å; V528-L594 HydrophobicContact CG1-CB 4.03Å; V528-L594 HydrophobicContact CG1-CD1 4.15Å; V528-L598 HydrophobicContact CG1-CD1 4.14Å
529L94.3Very high90.9Very high49 Ų4936.6 Ų36.626%0.25719%0.188SC..Hα-helixtrans-72.6-43.1178.7-71174.2000112.5L525 G526 T527 G532 Q533 F595 L598L525-L529 HydrophobicContact CD1-CD1 4.23Å; L525-L529 HydrophobicContact CD1-CG 4.14Å; L525-L529 HydrophobicContact CG-CD1 4.06Å; L525-L529 HydrophobicContact CG-CG 4.4Å; L525-L529 VanDerWaalsContact O-CG 3.31Å; L525-L529 WeakPolarHBondContact O-CG 3.27Å; L525-L529 PolarHBondContact O-N 3.41Å; G526-L529 PolarHBondContact O-N 3.42Å; G526-L529 VanDerWaalsContact O-N 3.1Å; T527-L529 VanDerWaalsContact C-N 3.29Å; T527-L529 PolarHBondContact O-N 3.15Å; L529-G532 PolarHBondContact O-N 2.76Å; L529-Q533 WeakPolarHBondContact O-CB 3.34Å; L529-Q533 PolarHBondContact O-N 3.26Å; L529-F595 HydrophobicContact CD2-CD2 4.11Å; L529-L598 HydrophobicContact CD2-CB 4.07Å
530H95.2Very high91.4Very high61 Ų6135.9 Ų35.928%0.28219%0.188SC..Hα-helixtrans-62.7-52.9177.6-58.6160.1000111.3G526 T527 G532 Q533 L534 G555 V556 D560G526-H530 VanDerWaalsContact O-CG 3.3Å; G526-H530 PolarHBondContact O-N 2.88Å; T527-H530 PolarHBondContact O-N 2.75Å; H530-G532 VanDerWaalsContact C-N 3.32Å; H530-G532 PolarHBondContact O-N 3.15Å; H530-Q533 PolarHBondContact O-N 3.02Å; H530-L534 PolarHBondContact O-N 2.89Å; H530-L534 VanDerWaalsContact O-N 3.13Å; H530-G555 PolarHBondContact CE1-O 3.12Å; H530-G555 VanDerWaalsContact CE1-O 3.3Å; H530-G555 PolarHBondContact ND1-O 3.29Å; H530-V556 HydrophobicContact CB-CG2 4.05Å; H530-D560 IonicContact CG-OD2 3.26Å; H530-D560 IonicContact ND1-OD2 3.39Å; H530-D560 PolarHBondContact ND1-OD2 3.43Å
531L95.8Very high91.4Very high1 Ų139.6 Ų39.61%0.00521%0.21CC..Hα-helixtrans-65.7-37.5179.1-64.5178.7000111.6T527 A535 V556 D560 F565 L566 L591T527-L531 HydrophobicContact CG2-CD1 3.72Å; T527-L531 HydrophobicContact CG2-CG 4.23Å; T527-L531 WeakPolarHBondContact O-CB 3.49Å; T527-L531 WeakPolarHBondContact O-CG 3.33Å; T527-L531 PolarHBondContact O-N 2.98Å; L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.45Å; L531-A535 PolarHBondContact O-N 2.9Å; L531-V556 HydrophobicContact CD2-CG1 3.99Å; L531-V556 HydrophobicContact CD2-CG2 4.33Å; L531-D560 HydrophobicContact CD2-CB 4.34Å; L531-D560 HydrophobicContact CG-CB 4.46Å; L531-F565 HydrophobicContact CD1-CB 3.99Å; L531-F565 HydrophobicContact CD1-CD2 3.63Å; L531-F565 HydrophobicContact CD1-CE2 4.46Å; L531-F565 HydrophobicContact CD1-CG 4.01Å; L531-L566 HydrophobicContact CD2-CD1 3.63Å; L531-L566 HydrophobicContact CD2-CG 4.19Å; L531-L591 HydrophobicContact CB-CD1 4.22Å
532G95.3Very high91.2Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-69.3-34.1178.200000113.4V528 L529 H530 F536 L591 F595V528-G532 WeakPolarHBondContact O-CA 3.18Å; V528-G532 PolarHBondContact O-N 3.39Å; L529-G532 PolarHBondContact O-N 2.76Å; H530-G532 VanDerWaalsContact C-N 3.32Å; H530-G532 PolarHBondContact O-N 3.15Å; G532-F536 VanDerWaalsContact O-CB 3.26Å; G532-F536 WeakPolarHBondContact O-CB 3.35Å; G532-F536 PolarHBondContact O-N 3.23Å; G532-L591 WeakPolarHBondContact CA-O 3.43Å; G532-F595 VanDerWaalsContact C-CB 3.43Å; G532-F595 WeakPolarHBondContact O-CB 3.31Å
533Q94.6Very high91.2Very high61 Ų6136.5 Ų36.529%0.28520%0.199SC..Hα-helixtrans-65.7-50.7172.6-175.9172.9-12.100110.6L529 H530 A535 F536 E537 F595L529-Q533 WeakPolarHBondContact O-CB 3.34Å; L529-Q533 PolarHBondContact O-N 3.26Å; H530-Q533 PolarHBondContact O-N 3.02Å; Q533-A535 PolarHBondContact O-N 2.97Å; Q533-F536 PolarHBondContact O-N 2.98Å; Q533-F536 VanDerWaalsContact O-N 3.12Å; Q533-E537 HydrophobicContact CG-CG 4.45Å; Q533-E537 WeakPolarHBondContact CG-OE1 3.25Å; Q533-E537 PolarHBondContact NE2-OE1 3.49Å; Q533-E537 PolarHBondContact O-N 3.11Å; Q533-F595 HydrophobicContact CB-CD2 3.93Å; Q533-F595 HydrophobicContact CB-CE2 3.57Å; Q533-F595 HydrophobicContact CB-CZ 3.89Å; Q533-F595 HydrophobicContact CG-CE2 4.08Å; Q533-F595 HydrophobicContact CG-CZ 3.9Å
534L95.5Very high91.2Very high3 Ų329.7 Ų29.72%0.01617%0.167CC..Hα-helixtrans-53.6-45.3175.7-175.874.7000111.1H530 G538 F546 D550 M551 C554 V556 L566 F582H530-L534 PolarHBondContact O-N 2.89Å; H530-L534 VanDerWaalsContact O-N 3.13Å; L534-G538 PolarHBondContact O-N 3.29Å; L534-F546 HydrophobicContact CD1-CB 4.27Å; L534-F546 HydrophobicContact CD1-CD1 3.46Å; L534-F546 VanDerWaalsContact CD1-CD1 3.46Å; L534-F546 HydrophobicContact CD1-CE1 3.94Å; L534-F546 HydrophobicContact CD1-CG 3.9Å; L534-F546 HydrophobicContact CD2-CB 4.4Å; L534-F546 HydrophobicContact CD2-CD1 4.25Å; L534-F546 HydrophobicContact CD2-CD2 4.08Å; L534-F546 HydrophobicContact CD2-CE2 4.47Å; L534-F546 HydrophobicContact CD2-CG 3.96Å; L534-F546 HydrophobicContact CG-CD1 3.79Å; L534-F546 HydrophobicContact CG-CD2 4.4Å; L534-F546 HydrophobicContact CG-CE1 3.91Å; L534-F546 HydrophobicContact CG-CG 4.04Å; L534-F546 HydrophobicContact CG-CZ 4.29Å; L534-D550 HydrophobicContact CD1-CB 4.23Å; L534-M551 HydrophobicContact CD1-SD 4.32Å; L534-M551 HydrophobicContact CD2-CE 3.82Å; L534-M551 HydrophobicContact CD2-SD 3.47Å; L534-M551 WeakPolarHBondContact CD2-SD 2.91Å; L534-C554 HydrophobicContact CB-CB 4.06Å; L534-C554 HydrophobicContact CD1-CB 4.22Å; L534-V556 HydrophobicContact CB-CG2 4.38Å; L534-V556 HydrophobicContact CD2-CG2 4.32Å; L534-L566 HydrophobicContact CD2-CD1 4.35Å; L534-L566 HydrophobicContact CD2-CD2 4.35Å; L534-F582 HydrophobicContact CB-CZ 4.5Å; L534-F582 HydrophobicContact CD2-CE2 4.15Å; L534-F582 HydrophobicContact CD2-CZ 4.01Å; L534-F582 HydrophobicContact CG-CE2 4.4Å; L534-F582 HydrophobicContact CG-CZ 4.43Å
535A95.1Very high91.2Very high0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-63.5-45.117800000113L531 Q533 G538 I539 F582 Q588 L591 A592L531-A535 VanDerWaalsContact O-CB 3.27Å; L531-A535 WeakPolarHBondContact O-CB 3.45Å; L531-A535 PolarHBondContact O-N 2.9Å; Q533-A535 PolarHBondContact O-N 2.97Å; A535-G538 PolarHBondContact O-N 3.03Å; A535-I539 WeakPolarHBondContact O-CG1 3.4Å; A535-I539 PolarHBondContact O-N 3.03Å; A535-F582 HydrophobicContact CB-CE1 4.47Å; A535-F582 HydrophobicContact CB-CE2 3.91Å; A535-F582 HydrophobicContact CB-CZ 3.71Å; A535-Q588 HydrophobicContact CB-CG 3.67Å; A535-Q588 WeakPolarHBondContact CB-O 3.39Å; A535-Q588 PolarHBondContact O-NE2 2.94Å; A535-L591 HydrophobicContact CB-CB 4.07Å; A535-A592 HydrophobicContact CB-CB 4.03Å
536F91.6Very high91.2Very high44 Ų4427.4 Ų27.419%0.19315%0.154CC..Hα-helixtrans-66.4-43.3-178.4-174.2-91.3000112.2G532 Q533 S540 A592 F595 A596 A606G532-F536 VanDerWaalsContact O-CB 3.26Å; G532-F536 WeakPolarHBondContact O-CB 3.35Å; G532-F536 PolarHBondContact O-N 3.23Å; Q533-F536 PolarHBondContact O-N 2.98Å; Q533-F536 VanDerWaalsContact O-N 3.12Å; F536-S540 WeakPolarHBondContact O-CB 3.39Å; F536-S540 PolarHBondContact O-N 3.4Å; F536-S540 VanDerWaalsContact O-N 3.1Å; F536-S540 PolarHBondContact O-OG 2.59Å; F536-A592 HydrophobicContact CB-CB 4.02Å; F536-A592 HydrophobicContact CD2-CB 4.26Å; F536-F595 HydrophobicContact CB-CD1 3.82Å; F536-F595 HydrophobicContact CB-CE1 4.39Å; F536-F595 HydrophobicContact CD1-CD1 4.33Å; F536-F595 HydrophobicContact CD1-CE1 4.3Å; F536-F595 HydrophobicContact CD2-CD1 4.38Å; F536-F595 AromaticContact CG-CD1 3.93Å; F536-F595 HydrophobicContact CG-CD1 3.93Å; F536-F595 HydrophobicContact CG-CE1 4.35Å; F536-A596 HydrophobicContact CE2-CB 4.31Å; F536-A606 HydrophobicContact CZ-CB 4.31Å
537E89.9Confident91.1Very high72 Ų7227 Ų2734%0.33615%0.146SC..Hα-helixtrans-67.4-41.5174.5-69-177.9-161.400111.3Q533 I539 S540 N541Q533-E537 HydrophobicContact CG-CG 4.45Å; Q533-E537 WeakPolarHBondContact CG-OE1 3.25Å; Q533-E537 PolarHBondContact NE2-OE1 3.49Å; Q533-E537 PolarHBondContact O-N 3.11Å; E537-I539 PolarHBondContact O-N 2.99Å; E537-S540 PolarHBondContact O-N 3.06Å; E537-N541 WeakPolarHBondContact O-CB 3.35Å; E537-N541 PolarHBondContact O-N 3Å; E537-N541 PolarHBondContact O-ND2 3.37Å
538G90.3Very high90.8Very high3 Ų329.5 Ų29.53%0.03116%0.16CC..Hα-helixtrans-57.5-48.4174.900000112.8L534 A535 S540 N541 S542 S543L534-G538 PolarHBondContact O-N 3.29Å; A535-G538 PolarHBondContact O-N 3.03Å; G538-S540 VanDerWaalsContact C-N 3.33Å; G538-S540 PolarHBondContact O-N 3.19Å; G538-N541 PolarHBondContact O-N 3.01Å; G538-S542 PolarHBondContact O-N 3.1Å; G538-S543 CarbonylContact C-O 3.44Å; G538-S543 VanDerWaalsContact C-O 3.24Å; G538-S543 WeakPolarHBondContact CA-O 3.44Å; G538-S543 PolarHBondContact O-N 3.2Å; G538-S543 VanDerWaalsContact O-O 3.11Å
539I88.6Confident90.6Very high8 Ų833.5 Ų33.54%0.04119%0.185CC..Hα-helixtrans-64.3-39.9177.3-68.4169000111.3A535 E537 N541 S542 Q588 C589 A592 N650 L651A535-I539 WeakPolarHBondContact O-CG1 3.4Å; A535-I539 PolarHBondContact O-N 3.03Å; E537-I539 PolarHBondContact O-N 2.99Å; I539-N541 VanDerWaalsContact C-N 3.25Å; I539-N541 PolarHBondContact O-N 2.85Å; I539-S542 PolarHBondContact O-N 2.65Å; I539-Q588 HydrophobicContact CD1-CG 4.16Å; I539-Q588 HydrophobicContact CG1-CG 4.1Å; I539-C589 HydrophobicContact CD1-CB 4.22Å; I539-A592 HydrophobicContact CD1-CB 3.69Å; I539-N650 HydrophobicContact CG2-CB 4.07Å; I539-L651 HydrophobicContact CG2-CD2 3.87Å; I539-L651 HydrophobicContact CG2-CG 4.44Å
540S84.4Confident90.4Very high55 Ų5534.2 Ų34.239%0.38519%0.189SC..Hα-helixtrans-66.6-28.7-179.6-580000112.8F536 E537 G538F536-S540 WeakPolarHBondContact O-CB 3.39Å; F536-S540 PolarHBondContact O-N 3.4Å; F536-S540 VanDerWaalsContact O-N 3.1Å; F536-S540 PolarHBondContact O-OG 2.59Å; E537-S540 PolarHBondContact O-N 3.06Å; G538-S540 VanDerWaalsContact C-N 3.33Å; G538-S540 PolarHBondContact O-N 3.19Å
541N84.1Confident90.2Very high102 Ų10231.6 Ų31.655%0.54518%0.177SC..THydrogen-bonded Turntrans-104.47.2-177.4-65.2-29000113.3K369 E537 G538 I539 S543K369-N541 WeakPolarHBondContact CE-O 3.39Å; E537-N541 WeakPolarHBondContact O-CB 3.35Å; E537-N541 PolarHBondContact O-N 3Å; E537-N541 PolarHBondContact O-ND2 3.37Å; G538-N541 PolarHBondContact O-N 3.01Å; I539-N541 VanDerWaalsContact C-N 3.25Å; I539-N541 PolarHBondContact O-N 2.85Å; N541-S543 PolarHBondContact O-N 2.99Å
542S84.2Confident89.9Confident2 Ų238.2 Ų38.21%0.01421%0.208CC..THydrogen-bonded Turntrans50.243.3-172.2-66.90000112.6N321 K369 G538 I539 E647N321-S542 PolarHBondContact ND2-O 2.88Å; K369-S542 WeakPolarHBondContact CE-O 3.44Å; G538-S542 PolarHBondContact O-N 3.1Å; I539-S542 PolarHBondContact O-N 2.65Å; S542-E647 WeakPolarHBondContact OG-CG 3.4Å; S542-E647 PolarHBondContact OG-OE1 3.24Å
543S87.2Confident89.8Confident30 Ų3043.2 Ų43.221%0.2124%0.239CC..  trans-114.8129176-163.60000110.9G538 N541 I545 Q588G538-S543 CarbonylContact C-O 3.44Å; G538-S543 VanDerWaalsContact C-O 3.24Å; G538-S543 WeakPolarHBondContact CA-O 3.44Å; G538-S543 PolarHBondContact O-N 3.2Å; G538-S543 VanDerWaalsContact O-O 3.11Å; N541-S543 PolarHBondContact O-N 2.99Å; S543-I545 PolarHBondContact OG-O 3.15Å; S543-Q588 PolarHBondContact O-NE2 3.39Å
544Y89Confident89.6Confident7 Ų740.6 Ų40.63%0.02723%0.227CC..  trans-126.5-4-174.7-47.7-65.7000112.2R318 E367 E581 I585 N650R318-Y544 VanDerWaalsContact CD-CB 3.46Å; R318-Y544 HydrophobicContact CG-CD2 4.12Å; R318-Y544 HydrophobicContact CG-CG 4.29Å; E367-Y544 HydrophobicContact CB-CD2 3.95Å; E367-Y544 HydrophobicContact CB-CE2 3.77Å; E367-Y544 HydrophobicContact CG-CD2 4.49Å; E367-Y544 HydrophobicContact CG-CE2 4.32Å; E367-Y544 WeakPolarHBondContact O-CE2 3.24Å; Y544-E581 WeakPolarHBondContact O-CB 3.28Å; Y544-I585 HydrophobicContact CD1-CD1 3.5Å; Y544-I585 VanDerWaalsContact CD1-CD1 3.5Å; Y544-I585 HydrophobicContact CE1-CD1 3.49Å; Y544-I585 VanDerWaalsContact CE1-CD1 3.49Å; Y544-N650 PolarHBondContact OH-ND2 3.02Å
545I89.9Confident89.4Confident15 Ų1542 Ų428%0.07724%0.242CC..  trans-121.1136.5172.6-66.7165000107.1R318 R319 S543 C579 Y580R318-I545 HydrophobicContact CB-CD1 4.22Å; R318-I545 HydrophobicContact CG-CD1 3.83Å; R318-I545 HydrophobicContact CG-CG1 3.88Å; R319-I545 HydrophobicContact CB-CD1 4.01Å; R319-I545 HydrophobicContact CG-CD1 3.49Å; R319-I545 VanDerWaalsContact CG-CD1 3.49Å; S543-I545 PolarHBondContact OG-O 3.15Å; I545-C579 HydrophobicContact CG2-CB 3.73Å; I545-Y580 CarbonylContact C-O 3.51Å; I545-Y580 WeakPolarHBondContact CA-O 3.39Å
546F90.7Very high89.4Confident6 Ų642.7 Ų42.73%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-126125.7-170.9-54.3-77.2000109.7L534 D550 M551 C579 Y580 F582L534-F546 HydrophobicContact CD1-CB 4.27Å; L534-F546 HydrophobicContact CD1-CD1 3.46Å; L534-F546 VanDerWaalsContact CD1-CD1 3.46Å; L534-F546 HydrophobicContact CD1-CE1 3.94Å; L534-F546 HydrophobicContact CD1-CG 3.9Å; L534-F546 HydrophobicContact CD2-CB 4.4Å; L534-F546 HydrophobicContact CD2-CD1 4.25Å; L534-F546 HydrophobicContact CD2-CD2 4.08Å; L534-F546 HydrophobicContact CD2-CE2 4.47Å; L534-F546 HydrophobicContact CD2-CG 3.96Å; L534-F546 HydrophobicContact CG-CD1 3.79Å; L534-F546 HydrophobicContact CG-CD2 4.4Å; L534-F546 HydrophobicContact CG-CE1 3.91Å; L534-F546 HydrophobicContact CG-CG 4.04Å; L534-F546 HydrophobicContact CG-CZ 4.29Å; F546-D550 HydrophobicContact CB-CB 4.24Å; F546-D550 HydrophobicContact CD1-CB 4.46Å; F546-M551 HydrophobicContact CB-CE 3.68Å; F546-M551 HydrophobicContact CB-SD 4.49Å; F546-M551 HydrophobicContact CG-CE 4.48Å; F546-C579 WeakPolarHBondContact O-CA 3.38Å; F546-Y580 PolarHBondContact N-O 2.93Å; F546-Y580 PolarHBondContact O-N 3.44Å; F546-F582 HydrophobicContact CD2-CD2 4.47Å; F546-F582 HydrophobicContact CD2-CE2 4.34Å; F546-F582 AromaticContact CE2-CD2 3.59Å; F546-F582 HydrophobicContact CE2-CD2 3.59Å; F546-F582 AromaticContact CE2-CE2 3.54Å; F546-F582 HydrophobicContact CE2-CE2 3.54Å; F546-F582 HydrophobicContact CZ-CD2 4.2Å; F546-F582 AromaticContact CZ-CE2 3.87Å; F546-F582 HydrophobicContact CZ-CE2 3.87Å
547S89.8Confident89.4Confident33 Ų3343.3 Ų43.323%0.23125%0.254CS..EExtended strand (participates in β ladder)trans-76.3166.5173.265.40000111.1T549 D550 M551S547-T549 PolarHBondContact O-N 3.29Å; S547-T549 PolarHBondContact OG-OG1 2.81Å; S547-D550 WeakPolarHBondContact CB-OD2 3.43Å; S547-D550 PolarHBondContact N-OD2 3.18Å; S547-D550 PolarHBondContact O-N 2.88Å; S547-D550 VanDerWaalsContact O-N 3.1Å; S547-D550 PolarHBondContact OG-N 3.36Å; S547-D550 PolarHBondContact OG-OD2 2.84Å; S547-M551 WeakPolarHBondContact O-CG 3.37Å; S547-M551 PolarHBondContact O-N 2.79Å; S547-M551 VanDerWaalsContact O-N 3.16Å
548V88Confident89.2Confident66 Ų6647.9 Ų47.940%0.428%0.275SS..Hα-helixtrans-56.8-35.1172.6-176.80000111.5D550 M551 E552 K578V548-D550 PolarHBondContact O-N 3.42Å; V548-M551 WeakPolarHBondContact O-CB 3.5Å; V548-M551 PolarHBondContact O-N 2.93Å; V548-E552 WeakPolarHBondContact O-CG 3.37Å; V548-E552 PolarHBondContact O-N 2.83Å; V548-K578 HydrophobicContact CG2-CB 4.27Å; V548-K578 WeakPolarHBondContact CG2-O 3.44Å
549T88.8Confident89.1Confident85 Ų8551.1 Ų51.152%0.52130%0.297SS..Hα-helixtrans-67.7-34.4177.444.20000113.1S547 M551 T553S547-T549 PolarHBondContact O-N 3.29Å; S547-T549 PolarHBondContact OG-OG1 2.81Å; T549-M551 VanDerWaalsContact C-N 3.33Å; T549-T553 WeakPolarHBondContact O-CB 3.39Å; T549-T553 PolarHBondContact O-N 3.29Å; T549-T553 PolarHBondContact O-OG1 3.41Å
550D89.9Confident89.1Confident64 Ų6450.9 Ų50.934%0.34230%0.296SS..Hα-helixtrans-67.8-38.9175.1-57.3-43.1000110.6L534 F546 S547 V548 T553 C554L534-D550 HydrophobicContact CD1-CB 4.23Å; F546-D550 HydrophobicContact CB-CB 4.24Å; F546-D550 HydrophobicContact CD1-CB 4.46Å; S547-D550 WeakPolarHBondContact CB-OD2 3.43Å; S547-D550 PolarHBondContact N-OD2 3.18Å; S547-D550 PolarHBondContact O-N 2.88Å; S547-D550 VanDerWaalsContact O-N 3.1Å; S547-D550 PolarHBondContact OG-N 3.36Å; S547-D550 PolarHBondContact OG-OD2 2.84Å; V548-D550 PolarHBondContact O-N 3.42Å; D550-T553 PolarHBondContact O-N 3.09Å; D550-C554 PolarHBondContact O-N 3.22Å; D550-C554 VanDerWaalsContact O-N 3.12Å
551M90.9Very high89.3Confident7 Ų750.1 Ų50.13%0.03429%0.288CS..Hα-helixtrans-60.9-48.9175.3-63.4-59.5-177.600111.7L534 F546 S547 V548 T549 T553 C554 G555 V556 L566 Y580L534-M551 HydrophobicContact CD1-SD 4.32Å; L534-M551 HydrophobicContact CD2-CE 3.82Å; L534-M551 HydrophobicContact CD2-SD 3.47Å; L534-M551 WeakPolarHBondContact CD2-SD 2.91Å; F546-M551 HydrophobicContact CB-CE 3.68Å; F546-M551 HydrophobicContact CB-SD 4.49Å; F546-M551 HydrophobicContact CG-CE 4.48Å; S547-M551 WeakPolarHBondContact O-CG 3.37Å; S547-M551 PolarHBondContact O-N 2.79Å; S547-M551 VanDerWaalsContact O-N 3.16Å; V548-M551 WeakPolarHBondContact O-CB 3.5Å; V548-M551 PolarHBondContact O-N 2.93Å; T549-M551 VanDerWaalsContact C-N 3.33Å; M551-T553 VanDerWaalsContact C-N 3.32Å; M551-T553 PolarHBondContact O-N 3.5Å; M551-C554 CarbonylContact O-C 3.54Å; M551-C554 PolarHBondContact O-N 2.89Å; M551-G555 PolarHBondContact O-N 3.02Å; M551-G555 VanDerWaalsContact O-N 3.07Å; M551-V556 HydrophobicContact CB-CB 4.12Å; M551-V556 PolarHBondContact O-N 2.8Å; M551-V556 HydrophobicContact SD-CB 3.9Å; M551-V556 HydrophobicContact SD-CG1 3.87Å; M551-V556 HydrophobicContact SD-CG2 4.05Å; M551-L566 HydrophobicContact CE-CD1 3.57Å; M551-L566 HydrophobicContact CE-CD2 4.21Å; M551-L566 HydrophobicContact CE-CG 4.47Å; M551-L566 HydrophobicContact SD-CD1 4Å; M551-Y580 HydrophobicContact CE-CD2 3.8Å; M551-Y580 HydrophobicContact CE-CG 3.68Å; M551-Y580 HydrophobicContact CG-CD2 4.45Å
552E90.9Very high89.3Confident139 Ų13949.3 Ų49.365%0.6529%0.289SS*.Hα-helixtrans-61.4-40.6178.3-71.9173.9178.400111.8V548 C554 G555V548-E552 WeakPolarHBondContact O-CG 3.37Å; V548-E552 PolarHBondContact O-N 2.83Å; E552-C554 VanDerWaalsContact C-N 3.31Å; E552-C554 PolarHBondContact O-N 3.5Å; E552-G555 PolarHBondContact O-N 2.91Å; E552-G555 VanDerWaalsContact O-N 3.14Å
553T91.9Very high89.3Confident105 Ų10550.5 Ų50.564%0.64430%0.295SS*.Hα-helixtrans-63.2-37178.8-57.50000112.1T549 D550 M551 G555T549-T553 WeakPolarHBondContact O-CB 3.39Å; T549-T553 PolarHBondContact O-N 3.29Å; T549-T553 PolarHBondContact O-OG1 3.41Å; D550-T553 PolarHBondContact O-N 3.09Å; M551-T553 VanDerWaalsContact C-N 3.32Å; M551-T553 PolarHBondContact O-N 3.5Å; T553-G555 VanDerWaalsContact C-N 3.35Å
554C91.6Very high89.2Confident6 Ų649.3 Ų49.34%0.04129%0.287CS..THydrogen-bonded Turntrans-88.30.7177.4-63.80000113.7L534 D550 M551 E552 V556L534-C554 HydrophobicContact CB-CB 4.06Å; L534-C554 HydrophobicContact CD1-CB 4.22Å; D550-C554 PolarHBondContact O-N 3.22Å; D550-C554 VanDerWaalsContact O-N 3.12Å; M551-C554 CarbonylContact O-C 3.54Å; M551-C554 PolarHBondContact O-N 2.89Å; E552-C554 VanDerWaalsContact C-N 3.31Å; E552-C554 PolarHBondContact O-N 3.5Å; C554-V556 VanDerWaalsContact C-N 3.31Å; C554-V556 HydrophobicContact CB-CG2 4.14Å; C554-V556 PolarHBondContact O-N 3.47Å
555G91.3Very high89.1Confident33 Ų3349 Ų4934%0.3429%0.285SS..THydrogen-bonded Turntrans71.718.8-178.600000114.9H530 M551 E552 T553 T557H530-G555 PolarHBondContact CE1-O 3.12Å; H530-G555 VanDerWaalsContact CE1-O 3.3Å; H530-G555 PolarHBondContact ND1-O 3.29Å; M551-G555 PolarHBondContact O-N 3.02Å; M551-G555 VanDerWaalsContact O-N 3.07Å; E552-G555 PolarHBondContact O-N 2.91Å; E552-G555 VanDerWaalsContact O-N 3.14Å; T553-G555 VanDerWaalsContact C-N 3.35Å; G555-T557 PolarHBondContact O-N 2.96Å
556V93.6Very high89Confident14 Ų1448.7 Ų48.79%0.08528%0.284CS..  trans-69.7120179.5-179.10000109.9H530 L531 L534 M551 C554 D560 I561 L566H530-V556 HydrophobicContact CB-CG2 4.05Å; L531-V556 HydrophobicContact CD2-CG1 3.99Å; L531-V556 HydrophobicContact CD2-CG2 4.33Å; L534-V556 HydrophobicContact CB-CG2 4.38Å; L534-V556 HydrophobicContact CD2-CG2 4.32Å; M551-V556 HydrophobicContact CB-CB 4.12Å; M551-V556 PolarHBondContact O-N 2.8Å; M551-V556 HydrophobicContact SD-CB 3.9Å; M551-V556 HydrophobicContact SD-CG1 3.87Å; M551-V556 HydrophobicContact SD-CG2 4.05Å; C554-V556 VanDerWaalsContact C-N 3.31Å; C554-V556 HydrophobicContact CB-CG2 4.14Å; C554-V556 PolarHBondContact O-N 3.47Å; V556-D560 HydrophobicContact CG1-CB 3.91Å; V556-I561 HydrophobicContact CG1-CG1 4.13Å; V556-L566 HydrophobicContact CG1-CD1 4.22Å
557T91.6Very high88.8Confident57 Ų5749.7 Ų49.735%0.3529%0.29SS..  trans-92.9164.2-177.663.20000112.3G555 S559 D560 I561G555-T557 PolarHBondContact O-N 2.96Å; T557-S559 PolarHBondContact O-N 2.89Å; T557-S559 PolarHBondContact OG1-OG 3.32Å; T557-D560 PolarHBondContact N-OD2 3.39Å; T557-D560 WeakPolarHBondContact O-CB 3.36Å; T557-D560 PolarHBondContact O-N 2.84Å; T557-D560 PolarHBondContact OG1-N 2.84Å; T557-D560 PolarHBondContact OG1-OD1 3.36Å; T557-D560 PolarHBondContact OG1-OD2 2.87Å; T557-I561 PolarHBondContact O-N 2.83Å; T557-I561 VanDerWaalsContact O-N 3.15Å
558E87.5Confident88.5Confident168 Ų16853.5 Ų53.579%0.78530%0.303SS*.Hα-helixtrans-58.3-35.5172.3-70.3-169.9161.700112.2D560 I561 C562E558-D560 VanDerWaalsContact C-N 3.3Å; E558-D560 PolarHBondContact O-N 2.88Å; E558-I561 PolarHBondContact O-N 3.46Å; E558-C562 PolarHBondContact O-N 3.46Å; E558-C562 PolarHBondContact O-SG 2.87Å
559S87Confident87.8Confident71 Ų7150.5 Ų50.550%0.49729%0.286SS..Hα-helixtrans-64.3-34.3174.750.40000112.8T557 C562 M563T557-S559 PolarHBondContact O-N 2.89Å; T557-S559 PolarHBondContact OG1-OG 3.32Å; S559-C562 PolarHBondContact O-N 2.79Å; S559-M563 PolarHBondContact O-N 3.34Å
560D89.6Confident86.7Confident3 Ų351 Ų512%0.01628%0.281CS..Hα-helixtrans-67.7-38.4175.8-60.1-35.2000110.9T527 H530 L531 V556 T557 E558 M563T527-D560 VanDerWaalsContact CA-OD1 3.32Å; T527-D560 WeakPolarHBondContact CA-OD1 3.33Å; T527-D560 WeakPolarHBondContact CB-OD1 3.47Å; T527-D560 HydrophobicContact CG2-CB 3.99Å; T527-D560 WeakPolarHBondContact CG2-OD1 3.2Å; T527-D560 PolarHBondContact OG1-OD1 3.5Å; H530-D560 IonicContact CG-OD2 3.26Å; H530-D560 IonicContact ND1-OD2 3.39Å; H530-D560 PolarHBondContact ND1-OD2 3.43Å; L531-D560 HydrophobicContact CD2-CB 4.34Å; L531-D560 HydrophobicContact CG-CB 4.46Å; V556-D560 HydrophobicContact CG1-CB 3.91Å; T557-D560 PolarHBondContact N-OD2 3.39Å; T557-D560 WeakPolarHBondContact O-CB 3.36Å; T557-D560 PolarHBondContact O-N 2.84Å; T557-D560 PolarHBondContact OG1-N 2.84Å; T557-D560 PolarHBondContact OG1-OD1 3.36Å; T557-D560 PolarHBondContact OG1-OD2 2.87Å; E558-D560 VanDerWaalsContact C-N 3.3Å; E558-D560 PolarHBondContact O-N 2.88Å; D560-M563 WeakPolarHBondContact O-CB 3.49Å; D560-M563 PolarHBondContact O-N 3.47Å
561I87.5Confident85Confident40 Ų4051.1 Ų51.121%0.20528%0.281CS..Hα-helixtrans-65-42.2174.9-61.9170.7000110.2V556 T557 E558 M563 G564 L566 Y580V556-I561 HydrophobicContact CG1-CG1 4.13Å; T557-I561 PolarHBondContact O-N 2.83Å; T557-I561 VanDerWaalsContact O-N 3.15Å; E558-I561 PolarHBondContact O-N 3.46Å; I561-M563 PolarHBondContact O-N 3.29Å; I561-M563 VanDerWaalsContact O-N 3.13Å; I561-G564 PolarHBondContact O-N 3.34Å; I561-L566 HydrophobicContact CG1-CD1 4.36Å; I561-Y580 HydrophobicContact CD1-CE1 4.16Å; I561-Y580 HydrophobicContact CG2-CD1 4.47Å; I561-Y580 HydrophobicContact CG2-CE1 3.96Å
562C85.3Confident82.9Confident85 Ų8556.4 Ų56.457%0.57431%0.307SS*.Hα-helixtrans-62.8-16.6178.5-71.80000114.3H509 E558 S559 G564H509-C562 PolarHBondContact CE1-O 3.45Å; H509-C562 PolarHBondContact NE2-O 3.45Å; E558-C562 PolarHBondContact O-N 3.46Å; E558-C562 PolarHBondContact O-SG 2.87Å; S559-C562 PolarHBondContact O-N 2.79Å; C562-G564 PolarHBondContact O-N 2.94Å
563M84.3Confident80.7Confident27 Ų2752.4 Ų52.413%0.13329%0.294CS..THydrogen-bonded Turntrans-69.3-14.3173.6-63.9-64.1-178.600113.4F506 H509 T527 S559 D560 I561 F565F506-M563 HydrophobicContact CD1-SD 4.16Å; F506-M563 HydrophobicContact CE1-CG 4.49Å; F506-M563 HydrophobicContact CE1-SD 4.46Å; H509-M563 HydrophobicContact CB-SD 3.93Å; T527-M563 HydrophobicContact CG2-CG 4.11Å; S559-M563 PolarHBondContact O-N 3.34Å; D560-M563 WeakPolarHBondContact O-CB 3.49Å; D560-M563 PolarHBondContact O-N 3.47Å; I561-M563 PolarHBondContact O-N 3.29Å; I561-M563 VanDerWaalsContact O-N 3.13Å; M563-F565 HydrophobicContact CB-CD2 3.76Å; M563-F565 HydrophobicContact CB-CE2 3.84Å
564G83.4Confident78.3Confident4 Ų455.9 Ų55.94%0.04131%0.308CS..SBendtrans91.8-2.5171.100000116.3Y230 I561 C562 L566Y230-G564 WeakPolarHBondContact CD1-O 3.33Å; I561-G564 PolarHBondContact O-N 3.34Å; C562-G564 PolarHBondContact O-N 2.94Å; G564-L566 VanDerWaalsContact C-N 3.26Å; G564-L566 PolarHBondContact O-N 2.86Å
565F87.9Confident76.1Confident0 Ų058.3 Ų58.30%033%0.329CS..SBendtrans-65.9-27.5177.9-64.9-80.4000113.8L502 F505 F506 L531 M563 L583 L587 L591L502-F565 HydrophobicContact CD1-CE1 3.82Å; L502-F565 HydrophobicContact CD1-CZ 3.58Å; F505-F565 HydrophobicContact CB-CE1 4.45Å; F505-F565 HydrophobicContact CB-CE2 4.07Å; F505-F565 HydrophobicContact CB-CZ 3.69Å; F505-F565 HydrophobicContact CD2-CD1 4.01Å; F505-F565 AromaticContact CD2-CE1 3.36Å; F505-F565 HydrophobicContact CD2-CE1 3.36Å; F505-F565 HydrophobicContact CD2-CE2 4.3Å; F505-F565 AromaticContact CD2-CZ 3.5Å; F505-F565 HydrophobicContact CD2-CZ 3.5Å; F505-F565 VanDerWaalsContact CD2-CZ 3.5Å; F505-F565 HydrophobicContact CE2-CD1 4.39Å; F505-F565 HydrophobicContact CE2-CE1 4.05Å; F505-F565 HydrophobicContact CG-CE1 4.3Å; F505-F565 HydrophobicContact CG-CZ 4.01Å; F506-F565 HydrophobicContact CE1-CE2 4.01Å; F506-F565 HydrophobicContact CE1-CZ 4.48Å; F506-F565 HydrophobicContact CZ-CE2 4.17Å; F506-F565 HydrophobicContact CZ-CZ 4.33Å; L531-F565 HydrophobicContact CD1-CB 3.99Å; L531-F565 HydrophobicContact CD1-CD2 3.63Å; L531-F565 HydrophobicContact CD1-CE2 4.46Å; L531-F565 HydrophobicContact CD1-CG 4.01Å; M563-F565 HydrophobicContact CB-CD2 3.76Å; M563-F565 HydrophobicContact CB-CE2 3.84Å; F565-L583 PolarHBondContact O-N 3.18Å; F565-L587 HydrophobicContact CB-CD2 4.4Å; F565-L587 HydrophobicContact CD1-CD1 4.14Å; F565-L587 HydrophobicContact CD1-CD2 3.76Å; F565-L587 HydrophobicContact CD1-CG 4.26Å; F565-L587 HydrophobicContact CE1-CD1 4.37Å; F565-L591 HydrophobicContact CB-CD1 4.46Å; F565-L591 HydrophobicContact CD1-CD1 4.24Å; F565-L591 HydrophobicContact CG-CD1 4.46Å
566L88.6Confident74.2Confident9 Ų964.9 Ų64.95%0.04736%0.356CS..EExtended strand (participates in β ladder)trans-106.8139.9177.4-69.4167.3000109.7L531 L534 M551 V556 I561 G564 E581 F582L531-L566 HydrophobicContact CD2-CD1 3.63Å; L531-L566 HydrophobicContact CD2-CG 4.19Å; L534-L566 HydrophobicContact CD2-CD1 4.35Å; L534-L566 HydrophobicContact CD2-CD2 4.35Å; M551-L566 HydrophobicContact CE-CD1 3.57Å; M551-L566 HydrophobicContact CE-CD2 4.21Å; M551-L566 HydrophobicContact CE-CG 4.47Å; M551-L566 HydrophobicContact SD-CD1 4Å; V556-L566 HydrophobicContact CG1-CD1 4.22Å; I561-L566 HydrophobicContact CG1-CD1 4.36Å; G564-L566 VanDerWaalsContact C-N 3.26Å; G564-L566 PolarHBondContact O-N 2.86Å; L566-E581 CarbonylContact C-O 3.54Å; L566-E581 WeakPolarHBondContact CA-O 3.43Å; L566-F582 HydrophobicContact CD2-CD1 3.84Å; L566-F582 HydrophobicContact CD2-CD2 4.17Å; L566-F582 HydrophobicContact CD2-CE1 3.88Å; L566-F582 HydrophobicContact CD2-CE2 4.2Å; L566-F582 HydrophobicContact CD2-CG 3.99Å; L566-F582 HydrophobicContact CD2-CZ 4.06Å; L566-F582 HydrophobicContact CG-CD1 4.5Å; L566-F582 HydrophobicContact CG-CE1 4.39Å
567I85.6Confident72.7Confident28 Ų2867.6 Ų67.614%0.14438%0.375CS..EExtended strand (participates in β ladder)trans-113.9145.117156.2164.7000109.8S569 Y580 E581 L583I567-S569 PolarHBondContact O-N 3.13Å; I567-Y580 CarbonylContact O-C 3.52Å; I567-Y580 VanDerWaalsContact O-CA 3.28Å; I567-Y580 WeakPolarHBondContact O-CA 2.91Å; I567-E581 HydrophobicContact CD1-CG 3.85Å; I567-E581 HydrophobicContact CG1-CG 3.54Å; I567-E581 WeakPolarHBondContact CG1-O 3.36Å; I567-E581 PolarHBondContact N-O 3.33Å; I567-E581 PolarHBondContact O-N 2.96Å; I567-L583 HydrophobicContact CD1-CD1 4.19Å; I567-L583 HydrophobicContact CG2-CD1 3.52Å
568Q83.2Confident72.1Confident112 Ų11270.4 Ų70.452%0.52338%0.383SS..EExtended strand (participates in β ladder)trans-73.3127.8171.9-171.4180-6.800109.1K570 Y580Q568-K570 PolarHBondContact O-N 3.11Å; Q568-Y580 HydrophobicContact CB-CD1 4.42Å; Q568-Y580 HydrophobicContact CB-CE1 4.32Å
569S74.3Confident72Confident4 Ų463.5 Ų63.53%0.02835%0.353CS..  trans-63.4129.3174.9179.20000109.6R319 I567 D571 C579R319-S569 VanDerWaalsContact CZ-OG 3.28Å; R319-S569 PolarHBondContact NE-OG 2.96Å; R319-S569 PolarHBondContact NH2-OG 3.5Å; I567-S569 PolarHBondContact O-N 3.13Å; S569-D571 PolarHBondContact O-N 3.1Å; S569-C579 PolarHBondContact N-O 3.26Å
570K64.5Low72.1Confident95 Ų9561.6 Ų61.641%0.41334%0.335SS..  trans-70.691.3175.3-60.2179.6-174.4175.30109.3Q223 R319 Q568Q223-K570 PolarHBondContact O-NZ 3.33Å; R319-K570 PolarHBondContact NH1-O 3.45Å; Q568-K570 PolarHBondContact O-N 3.11Å
571D54.9Low72.1Confident66 Ų6662.5 Ų62.535%0.35334%0.339SS..  trans-79.6143176.8-83.3-32000112.9S569S569-D571 PolarHBondContact O-N 3.1Å
572M45.7Very low72.3Confident119 Ų11960.7 Ų60.759%0.58633%0.33SS*.  trans-117.1-4.5165.6-65.3-67.2-88.800112.3
573S45.8Very low72.4Confident54 Ų5458.5 Ų58.538%0.37831%0.312SS..SBendtrans-79.2143.818057.40000112A575S573-A575 PolarHBondContact O-N 3.06Å
574L41.3Very low72.6Confident178 Ų17859.4 Ų59.493%0.93232%0.316SS*.SBendtrans-59.6-9.1177.2-76143.3000115N576L574-N576 PolarHBondContact O-N 2.88Å
575A46.3Very low72.9Confident57 Ų5759.8 Ų59.847%0.47132%0.317SS..  trans-81.9104.4175.900000109.8S573 S577S573-A575 PolarHBondContact O-N 3.06Å; A575-S577 PolarHBondContact O-N 3.44Å
576N49.6Very low73.2Confident172 Ų17260.1 Ų60.192%0.9232%0.319SS*.  trans-61.425-179-93.4-16.7000116.4L574L574-N576 PolarHBondContact O-N 2.88Å
577S63.7Low73.5Confident70 Ų7059.7 Ų59.749%0.4932%0.317SS..  trans-89.4114.6-179.953.80000111.2A575 C579A575-S577 PolarHBondContact O-N 3.44Å; S577-C579 PolarHBondContact O-N 3.42Å
578K78.5Confident73.9Confident116 Ų11658.5 Ų58.550%0.50431%0.311SS..  trans-64.8124.6173.8-63.3-178.5-179.2177.80110.4V548 Y580V548-K578 HydrophobicContact CG2-CB 4.27Å; V548-K578 WeakPolarHBondContact CG2-O 3.44Å; K578-Y580 HydrophobicContact CB-CE2 4.23Å
579C85.8Confident74.5Confident23 Ų2353.2 Ų53.216%0.15529%0.286CS..EExtended strand (participates in β ladder)trans-115.9151.6173-67.60000110.8I545 F546 S569 S577I545-C579 HydrophobicContact CG2-CB 3.73Å; F546-C579 WeakPolarHBondContact O-CA 3.38Å; S569-C579 PolarHBondContact N-O 3.26Å; S577-C579 PolarHBondContact O-N 3.42Å
580Y88.6Confident75.6Confident31 Ų3153 Ų5312%0.12229%0.285CS..EExtended strand (participates in β ladder)trans-129.6153.3-177.6-62.4-93.4000111.1I545 F546 M551 I561 I567 Q568 K578I545-Y580 CarbonylContact C-O 3.51Å; I545-Y580 WeakPolarHBondContact CA-O 3.39Å; F546-Y580 PolarHBondContact N-O 2.93Å; F546-Y580 PolarHBondContact O-N 3.44Å; M551-Y580 HydrophobicContact CE-CD2 3.8Å; M551-Y580 HydrophobicContact CE-CG 3.68Å; M551-Y580 HydrophobicContact CG-CD2 4.45Å; I561-Y580 HydrophobicContact CD1-CE1 4.16Å; I561-Y580 HydrophobicContact CG2-CD1 4.47Å; I561-Y580 HydrophobicContact CG2-CE1 3.96Å; I567-Y580 CarbonylContact O-C 3.52Å; I567-Y580 VanDerWaalsContact O-CA 3.28Å; I567-Y580 WeakPolarHBondContact O-CA 2.91Å; Q568-Y580 HydrophobicContact CB-CD1 4.42Å; Q568-Y580 HydrophobicContact CB-CE1 4.32Å; K578-Y580 HydrophobicContact CB-CE2 4.23Å
581E89.9Confident77.1Confident23 Ų2348.5 Ų48.511%0.10727%0.265CS..EExtended strand (participates in β ladder)trans-139.8154.3173.761-175.2166.500110R318 Y544 L566 I567R318-E581 WeakPolarHBondContact CD-OE2 3.47Å; R318-E581 IonicContact CZ-OE2 3.22Å; R318-E581 IonicContact NE-OE2 2.66Å; R318-E581 IonicContact NH1-OE2 2.82Å; R318-E581 PolarHBondContact NH1-OE2 2.79Å; Y544-E581 WeakPolarHBondContact O-CB 3.28Å; L566-E581 CarbonylContact C-O 3.54Å; L566-E581 WeakPolarHBondContact CA-O 3.43Å; I567-E581 HydrophobicContact CD1-CG 3.85Å; I567-E581 HydrophobicContact CG1-CG 3.54Å; I567-E581 WeakPolarHBondContact CG1-O 3.36Å; I567-E581 PolarHBondContact N-O 3.33Å; I567-E581 PolarHBondContact O-N 2.96Å
582F91.4Very high79Confident2 Ų245.4 Ų45.41%0.00925%0.248CC..EExtended strand (participates in β ladder)trans-67.4146.2169.5-71.6-81.1000109.6L534 A535 F546 L566 H584 Q588 L591L534-F582 HydrophobicContact CB-CZ 4.5Å; L534-F582 HydrophobicContact CD2-CE2 4.15Å; L534-F582 HydrophobicContact CD2-CZ 4.01Å; L534-F582 HydrophobicContact CG-CE2 4.4Å; L534-F582 HydrophobicContact CG-CZ 4.43Å; A535-F582 HydrophobicContact CB-CE1 4.47Å; A535-F582 HydrophobicContact CB-CE2 3.91Å; A535-F582 HydrophobicContact CB-CZ 3.71Å; F546-F582 HydrophobicContact CD2-CD2 4.47Å; F546-F582 HydrophobicContact CD2-CE2 4.34Å; F546-F582 AromaticContact CE2-CD2 3.59Å; F546-F582 HydrophobicContact CE2-CD2 3.59Å; F546-F582 AromaticContact CE2-CE2 3.54Å; F546-F582 HydrophobicContact CE2-CE2 3.54Å; F546-F582 HydrophobicContact CZ-CD2 4.2Å; F546-F582 AromaticContact CZ-CE2 3.87Å; F546-F582 HydrophobicContact CZ-CE2 3.87Å; L566-F582 HydrophobicContact CD2-CD1 3.84Å; L566-F582 HydrophobicContact CD2-CD2 4.17Å; L566-F582 HydrophobicContact CD2-CE1 3.88Å; L566-F582 HydrophobicContact CD2-CE2 4.2Å; L566-F582 HydrophobicContact CD2-CG 3.99Å; L566-F582 HydrophobicContact CD2-CZ 4.06Å; L566-F582 HydrophobicContact CG-CD1 4.5Å; L566-F582 HydrophobicContact CG-CE1 4.39Å; F582-H584 PolarHBondContact O-N 3.25Å; F582-H584 VanDerWaalsContact O-N 3.08Å; F582-Q588 HydrophobicContact CB-CB 4.02Å; F582-Q588 HydrophobicContact CD2-CB 3.62Å; F582-Q588 HydrophobicContact CD2-CG 3.45Å; F582-Q588 VanDerWaalsContact CD2-CG 3.45Å; F582-Q588 HydrophobicContact CE2-CB 4.24Å; F582-Q588 HydrophobicContact CE2-CG 3.68Å; F582-Q588 HydrophobicContact CG-CB 3.8Å; F582-Q588 HydrophobicContact CG-CG 4.15Å; F582-L591 HydrophobicContact CD1-CD1 3.96Å; F582-L591 HydrophobicContact CE1-CD1 3.54Å
583L86.6Confident81.4Confident39 Ų3939.7 Ų39.720%0.20422%0.22CC..SBendtrans-54.9-36.8-178-166.682.2000112.7Y230 F565 I567 L587Y230-L583 HydrophobicContact CD1-CD2 4.01Å; Y230-L583 HydrophobicContact CD2-CD2 3.29Å; Y230-L583 HydrophobicContact CE1-CB 3.85Å; Y230-L583 HydrophobicContact CE1-CD2 3.64Å; Y230-L583 HydrophobicContact CE1-CG 4.3Å; Y230-L583 HydrophobicContact CE2-CD2 2.86Å; Y230-L583 HydrophobicContact CE2-CG 4.19Å; Y230-L583 HydrophobicContact CG-CD2 3.88Å; Y230-L583 WeakPolarHBondContact OH-CD2 3.45Å; F565-L583 PolarHBondContact O-N 3.18Å; I567-L583 HydrophobicContact CD1-CD1 4.19Å; I567-L583 HydrophobicContact CG2-CD1 3.52Å; L583-L587 HydrophobicContact CB-CD2 4.43Å
584H89.4Confident83.7Confident46 Ų4637.2 Ų37.221%0.21320%0.203CC..SBendtrans-147.9147.6175.5-166.5-96.5000111.1G286 F582 T586 L587 Q588G286-H584 PolarHBondContact N-CE1 3.13Å; F582-H584 PolarHBondContact O-N 3.25Å; F582-H584 VanDerWaalsContact O-N 3.08Å; H584-T586 PolarHBondContact ND1-N 2.96Å; H584-T586 PolarHBondContact ND1-OG1 3.32Å; H584-T586 PolarHBondContact O-N 3.18Å; H584-L587 VanDerWaalsContact O-CB 3.32Å; H584-L587 WeakPolarHBondContact O-CB 3.44Å; H584-L587 PolarHBondContact O-N 3.24Å; H584-Q588 PolarHBondContact O-N 2.93Å
585I90.6Very high86.2Confident12 Ų1229.7 Ų29.76%0.06216%0.163CC..Hα-helixtrans-58-33.4-178.2-175.257.1000113A285 Y544 L587 Q588 C589A285-I585 HydrophobicContact CB-CG2 4.48Å; Y544-I585 HydrophobicContact CD1-CD1 3.5Å; Y544-I585 VanDerWaalsContact CD1-CD1 3.5Å; Y544-I585 HydrophobicContact CE1-CD1 3.49Å; Y544-I585 VanDerWaalsContact CE1-CD1 3.49Å; I585-L587 VanDerWaalsContact C-N 3.33Å; I585-L587 PolarHBondContact O-N 3.15Å; I585-Q588 HydrophobicContact CD1-CB 4.45Å; I585-Q588 WeakPolarHBondContact O-CB 3.4Å; I585-Q588 PolarHBondContact O-N 3.39Å; I585-C589 PolarHBondContact O-N 3.39Å; I585-C589 PolarHBondContact O-SG 3.29Å
586T93.4Very high88.4Confident7 Ų727 Ų274%0.04314%0.14CC..Hα-helixtrans-70-29.2176.356.90000112.6A285 Y498 H584 C589 F590 I653 F657A285-T586 HydrophobicContact CB-CG2 3.92Å; Y498-T586 WeakPolarHBondContact OH-CB 2.96Å; Y498-T586 PolarHBondContact OH-OG1 3.07Å; H584-T586 PolarHBondContact ND1-N 2.96Å; H584-T586 PolarHBondContact ND1-OG1 3.32Å; H584-T586 PolarHBondContact O-N 3.18Å; T586-C589 PolarHBondContact O-N 2.93Å; T586-F590 WeakPolarHBondContact O-CB 3.3Å; T586-F590 PolarHBondContact O-N 2.93Å; T586-I653 HydrophobicContact CG2-CD1 4.5Å; T586-F657 WeakPolarHBondContact O-CE2 3.33Å
587L93.8Very high90.4Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-70.3-39.3173.4-174.464.8000110.7Y230 Y498 F565 L583 H584 I585 F590 L591Y230-L587 HydrophobicContact CE1-CD2 3.86Å; Y230-L587 VanDerWaalsContact OH-CD2 3.27Å; Y230-L587 WeakPolarHBondContact OH-CD2 3.41Å; Y498-L587 HydrophobicContact CD1-CD1 4.21Å; Y498-L587 HydrophobicContact CE1-CB 4.42Å; Y498-L587 HydrophobicContact CE1-CD1 4.33Å; F565-L587 HydrophobicContact CB-CD2 4.4Å; F565-L587 HydrophobicContact CD1-CD1 4.14Å; F565-L587 HydrophobicContact CD1-CD2 3.76Å; F565-L587 HydrophobicContact CD1-CG 4.26Å; F565-L587 HydrophobicContact CE1-CD1 4.37Å; L583-L587 HydrophobicContact CB-CD2 4.43Å; H584-L587 VanDerWaalsContact O-CB 3.32Å; H584-L587 WeakPolarHBondContact O-CB 3.44Å; H584-L587 PolarHBondContact O-N 3.24Å; I585-L587 VanDerWaalsContact C-N 3.33Å; I585-L587 PolarHBondContact O-N 3.15Å; L587-F590 HydrophobicContact CD1-CD1 4.38Å; L587-F590 PolarHBondContact O-N 3.42Å; L587-L591 HydrophobicContact CG-CD1 4.33Å; L587-L591 WeakPolarHBondContact O-CG 3.39Å; L587-L591 PolarHBondContact O-N 3.18Å
588Q95.1Very high91.7Very high3 Ų315.9 Ų15.91%0.0148%0.075CC..Hα-helixtrans-58.6-48.5169.8-172.8177.1-15.200110.5A535 I539 S543 F582 H584 I585 F590 L591 A592A535-Q588 HydrophobicContact CB-CG 3.67Å; A535-Q588 WeakPolarHBondContact CB-O 3.39Å; A535-Q588 PolarHBondContact O-NE2 2.94Å; I539-Q588 HydrophobicContact CD1-CG 4.16Å; I539-Q588 HydrophobicContact CG1-CG 4.1Å; S543-Q588 PolarHBondContact O-NE2 3.39Å; F582-Q588 HydrophobicContact CB-CB 4.02Å; F582-Q588 HydrophobicContact CD2-CB 3.62Å; F582-Q588 HydrophobicContact CD2-CG 3.45Å; F582-Q588 VanDerWaalsContact CD2-CG 3.45Å; F582-Q588 HydrophobicContact CE2-CB 4.24Å; F582-Q588 HydrophobicContact CE2-CG 3.68Å; F582-Q588 HydrophobicContact CG-CB 3.8Å; F582-Q588 HydrophobicContact CG-CG 4.15Å; H584-Q588 PolarHBondContact O-N 2.93Å; I585-Q588 HydrophobicContact CD1-CB 4.45Å; I585-Q588 WeakPolarHBondContact O-CB 3.4Å; I585-Q588 PolarHBondContact O-N 3.39Å; Q588-F590 VanDerWaalsContact C-N 3.3Å; Q588-F590 PolarHBondContact O-N 3.18Å; Q588-L591 PolarHBondContact O-N 2.94Å; Q588-A592 WeakPolarHBondContact O-CB 3.21Å; Q588-A592 PolarHBondContact O-N 3.47Å
589C95.6Very high92.1Very high0 Ų010.8 Ų10.80%05%0.054CC..Hα-helixtrans-58.7-40176.1-63.10000112.7I539 I585 T586 A593 I653 T654 F657I539-C589 HydrophobicContact CD1-CB 4.22Å; I585-C589 PolarHBondContact O-N 3.39Å; I585-C589 PolarHBondContact O-SG 3.29Å; T586-C589 PolarHBondContact O-N 2.93Å; C589-A593 WeakPolarHBondContact O-CB 3.45Å; C589-A593 PolarHBondContact O-N 3.48Å; C589-I653 HydrophobicContact CB-CB 4.2Å; C589-I653 HydrophobicContact CB-CG2 3.6Å; C589-T654 WeakPolarHBondContact CB-OG1 3.49Å; C589-F657 HydrophobicContact CB-CD2 4.27Å; C589-F657 HydrophobicContact CB-CE2 4.26Å
590F96.9Very high91.9Very high0 Ų020.2 Ų20.20%09%0.087CC..Hα-helixtrans-66.8-45.7178.3176-109.4000112.7T495 Y498 L499 L502 T586 L587 Q588 A593 L594 F657 L661T495-F590 HydrophobicContact CG2-CE2 4.44Å; Y498-F590 HydrophobicContact CD1-CB 3.94Å; Y498-F590 HydrophobicContact CD1-CD1 4.14Å; Y498-F590 AromaticContact CD1-CG 3.95Å; Y498-F590 HydrophobicContact CD1-CG 3.95Å; Y498-F590 HydrophobicContact CG-CB 4.37Å; Y498-F590 HydrophobicContact CG-CD2 4.24Å; Y498-F590 HydrophobicContact CG-CG 4.13Å; Y498-F590 WeakPolarHBondContact O-CE1 3.37Å; L499-F590 HydrophobicContact CD2-CZ 4.01Å; L499-F590 HydrophobicContact CG-CE2 4.43Å; L499-F590 HydrophobicContact CG-CZ 4.11Å; L502-F590 HydrophobicContact CB-CE1 4.05Å; L502-F590 HydrophobicContact CD2-CE1 3.92Å; L502-F590 HydrophobicContact CD2-CZ 4.19Å; L502-F590 HydrophobicContact CG-CE1 4.39Å; T586-F590 WeakPolarHBondContact O-CB 3.3Å; T586-F590 PolarHBondContact O-N 2.93Å; L587-F590 HydrophobicContact CD1-CD1 4.38Å; L587-F590 PolarHBondContact O-N 3.42Å; Q588-F590 VanDerWaalsContact C-N 3.3Å; Q588-F590 PolarHBondContact O-N 3.18Å; F590-A593 WeakPolarHBondContact O-CB 3.43Å; F590-A593 PolarHBondContact O-N 2.64Å; F590-L594 HydrophobicContact CD1-CD1 4.12Å; F590-L594 HydrophobicContact CE1-CD1 3.59Å; F590-L594 HydrophobicContact CE2-CD1 4.47Å; F590-L594 HydrophobicContact CZ-CD1 3.8Å; F590-L594 HydrophobicContact CZ-CG 4.39Å; F590-L594 PolarHBondContact O-N 3.37Å; F590-F657 HydrophobicContact CB-CD1 4.5Å; F590-F657 HydrophobicContact CB-CD2 3.9Å; F590-F657 HydrophobicContact CB-CE1 4.41Å; F590-F657 HydrophobicContact CB-CE2 3.81Å; F590-F657 HydrophobicContact CB-CG 4.25Å; F590-F657 HydrophobicContact CB-CZ 4.08Å; F590-F657 HydrophobicContact CD2-CB 4.27Å; F590-F657 AromaticContact CD2-CD1 3.6Å; F590-F657 HydrophobicContact CD2-CD1 3.6Å; F590-F657 HydrophobicContact CD2-CD2 4.36Å; F590-F657 AromaticContact CD2-CE1 3.91Å; F590-F657 HydrophobicContact CD2-CE1 3.91Å; F590-F657 AromaticContact CD2-CG 3.85Å; F590-F657 HydrophobicContact CD2-CG 3.85Å; F590-F657 HydrophobicContact CD2-CZ 4.42Å; F590-F657 HydrophobicContact CE2-CD1 4.36Å; F590-L661 HydrophobicContact CE2-CD1 4.29Å; F590-L661 HydrophobicContact CE2-CD2 4.06Å; F590-L661 HydrophobicContact CE2-CG 4.42Å; F590-L661 HydrophobicContact CZ-CD2 4.49Å
591L96.3Very high91Very high1 Ų126.2 Ų26.21%0.00512%0.121CC..Hα-helixtrans-66.4-37.3176.9-72.1169.1000111.9L502 L531 G532 A535 F565 F582 L587 Q588 A593 L594 F595L502-L591 HydrophobicContact CD1-CD2 4.39Å; L531-L591 HydrophobicContact CB-CD1 4.22Å; G532-L591 WeakPolarHBondContact CA-O 3.43Å; A535-L591 HydrophobicContact CB-CB 4.07Å; F565-L591 HydrophobicContact CB-CD1 4.46Å; F565-L591 HydrophobicContact CD1-CD1 4.24Å; F565-L591 HydrophobicContact CG-CD1 4.46Å; F582-L591 HydrophobicContact CD1-CD1 3.96Å; F582-L591 HydrophobicContact CE1-CD1 3.54Å; L587-L591 HydrophobicContact CG-CD1 4.33Å; L587-L591 WeakPolarHBondContact O-CG 3.39Å; L587-L591 PolarHBondContact O-N 3.18Å; Q588-L591 PolarHBondContact O-N 2.94Å; L591-A593 VanDerWaalsContact C-N 3.31Å; L591-A593 PolarHBondContact O-N 3.25Å; L591-L594 HydrophobicContact CD2-CD1 4.26Å; L591-L594 PolarHBondContact O-N 3.23Å; L591-F595 PolarHBondContact O-N 3.42Å
592A95.3Very high90Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-61.2-39.4171.800000112.1A535 F536 I539 Q588 F595 A596 T654A535-A592 HydrophobicContact CB-CB 4.03Å; F536-A592 HydrophobicContact CB-CB 4.02Å; F536-A592 HydrophobicContact CD2-CB 4.26Å; I539-A592 HydrophobicContact CD1-CB 3.69Å; Q588-A592 WeakPolarHBondContact O-CB 3.21Å; Q588-A592 PolarHBondContact O-N 3.47Å; A592-F595 PolarHBondContact O-N 3.46Å; A592-A596 WeakPolarHBondContact O-CB 3.28Å; A592-A596 PolarHBondContact O-N 3.49Å; A592-T654 HydrophobicContact CB-CG2 4.15Å
593A95.8Very high88.9Confident0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-64.6-42.9175.200000112.2C589 F590 L591 F595 A596 I597 T654 F657 V658 L661C589-A593 WeakPolarHBondContact O-CB 3.45Å; C589-A593 PolarHBondContact O-N 3.48Å; F590-A593 WeakPolarHBondContact O-CB 3.43Å; F590-A593 PolarHBondContact O-N 2.64Å; L591-A593 VanDerWaalsContact C-N 3.31Å; L591-A593 PolarHBondContact O-N 3.25Å; A593-F595 VanDerWaalsContact C-N 3.35Å; A593-F595 PolarHBondContact O-N 2.89Å; A593-A596 PolarHBondContact O-N 2.86Å; A593-I597 WeakPolarHBondContact O-CG1 3.49Å; A593-I597 PolarHBondContact O-N 3.26Å; A593-I597 VanDerWaalsContact O-N 3.15Å; A593-T654 HydrophobicContact CB-CG2 4.05Å; A593-F657 HydrophobicContact CB-CB 3.57Å; A593-V658 HydrophobicContact CB-CG2 3.66Å; A593-L661 HydrophobicContact CB-CD1 4Å
594L94.6Very high88.5Confident1 Ų127.4 Ų27.41%0.00514%0.14CC..Hα-helixtrans-59.3-45173.5-79.3165.5000111.5L502 V528 F590 L591 I597 L598 L661L502-L594 HydrophobicContact CD2-CD1 3.69Å; V528-L594 HydrophobicContact CG1-CB 4.03Å; V528-L594 HydrophobicContact CG1-CD1 4.15Å; F590-L594 HydrophobicContact CD1-CD1 4.12Å; F590-L594 HydrophobicContact CE1-CD1 3.59Å; F590-L594 HydrophobicContact CE2-CD1 4.47Å; F590-L594 HydrophobicContact CZ-CD1 3.8Å; F590-L594 HydrophobicContact CZ-CG 4.39Å; F590-L594 PolarHBondContact O-N 3.37Å; L591-L594 HydrophobicContact CD2-CD1 4.26Å; L591-L594 PolarHBondContact O-N 3.23Å; L594-I597 PolarHBondContact O-N 2.87Å; L594-L598 HydrophobicContact CD2-CD1 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.48Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.38Å; L594-L661 HydrophobicContact CD2-CD1 3.82Å; L594-L661 HydrophobicContact CD2-CD2 3.86Å; L594-L661 HydrophobicContact CD2-CG 4.5Å; L594-L661 HydrophobicContact CG-CD1 3.84Å
595F94.1Very high87.9Confident21 Ų2128.9 Ų28.99%0.09216%0.155CC..Hα-helixtrans-61.5-44.7175.6179.6-100.1000112.3L529 G532 Q533 F536 L591 A592 A593 I597 L598 S599L529-F595 HydrophobicContact CD2-CD2 4.11Å; G532-F595 VanDerWaalsContact C-CB 3.43Å; G532-F595 WeakPolarHBondContact O-CB 3.31Å; Q533-F595 HydrophobicContact CB-CD2 3.93Å; Q533-F595 HydrophobicContact CB-CE2 3.57Å; Q533-F595 HydrophobicContact CB-CZ 3.89Å; Q533-F595 HydrophobicContact CG-CE2 4.08Å; Q533-F595 HydrophobicContact CG-CZ 3.9Å; F536-F595 HydrophobicContact CB-CD1 3.82Å; F536-F595 HydrophobicContact CB-CE1 4.39Å; F536-F595 HydrophobicContact CD1-CD1 4.33Å; F536-F595 HydrophobicContact CD1-CE1 4.3Å; F536-F595 HydrophobicContact CD2-CD1 4.38Å; F536-F595 AromaticContact CG-CD1 3.93Å; F536-F595 HydrophobicContact CG-CD1 3.93Å; F536-F595 HydrophobicContact CG-CE1 4.35Å; L591-F595 PolarHBondContact O-N 3.42Å; A592-F595 PolarHBondContact O-N 3.46Å; A593-F595 VanDerWaalsContact C-N 3.35Å; A593-F595 PolarHBondContact O-N 2.89Å; F595-I597 PolarHBondContact O-N 3.46Å; F595-I597 VanDerWaalsContact O-N 3.16Å; F595-L598 PolarHBondContact O-N 3.02Å; F595-S599 WeakPolarHBondContact O-CB 3.21Å; F595-S599 PolarHBondContact O-N 2.97Å
596A91.9Very high87.4Confident0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-57.7-31.2177.200000112.4F536 A592 A593 L610 V658 K682F536-A596 HydrophobicContact CE2-CB 4.31Å; A592-A596 WeakPolarHBondContact O-CB 3.28Å; A592-A596 PolarHBondContact O-N 3.49Å; A593-A596 PolarHBondContact O-N 2.86Å; A596-L610 HydrophobicContact CB-CD1 4.46Å; A596-V658 HydrophobicContact CB-CG2 4.39Å; A596-K682 PolarHBondContact O-NZ 2.9Å
597I91.9Very high86.9Confident0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-86-48.4178.6-66.7168.9000112.3A593 L594 F595 V658 L661 L662 L670 K682A593-I597 WeakPolarHBondContact O-CG1 3.49Å; A593-I597 PolarHBondContact O-N 3.26Å; A593-I597 VanDerWaalsContact O-N 3.15Å; L594-I597 PolarHBondContact O-N 2.87Å; F595-I597 PolarHBondContact O-N 3.46Å; F595-I597 VanDerWaalsContact O-N 3.16Å; I597-V658 HydrophobicContact CD1-CG1 4.35Å; I597-V658 HydrophobicContact CD1-CG2 4.5Å; I597-V658 HydrophobicContact CG1-CG1 4.41Å; I597-L661 HydrophobicContact CD1-CB 3.34Å; I597-L661 HydrophobicContact CD1-CD1 3.82Å; I597-L661 HydrophobicContact CD1-CG 4.23Å; I597-L662 HydrophobicContact CD1-CD2 4.09Å; I597-L662 HydrophobicContact CD1-CG 3.85Å; I597-L662 HydrophobicContact CG1-CD2 4.15Å; I597-L662 HydrophobicContact CG1-CG 4.23Å; I597-L662 HydrophobicContact CG2-CD2 4.07Å; I597-L670 HydrophobicContact CG2-CD1 3.99Å; I597-L670 HydrophobicContact CG2-CD2 4.12Å; I597-K682 PolarHBondContact O-NZ 2.84Å
598L90.6Very high86.4Confident8 Ų829.7 Ų29.74%0.04216%0.163CC..Hα-helixtrans-86.4-28.1-169.1-64.6176.8000113.6L525 V528 L529 L594 F595 R600 L670 C673L525-L598 HydrophobicContact CD1-CD1 3.91Å; V528-L598 HydrophobicContact CG1-CD1 4.14Å; L529-L598 HydrophobicContact CD2-CB 4.07Å; L594-L598 HydrophobicContact CD2-CD1 4.23Å; L594-L598 WeakPolarHBondContact O-CB 3.48Å; L594-L598 WeakPolarHBondContact O-CG 3.36Å; L594-L598 PolarHBondContact O-N 3.38Å; F595-L598 PolarHBondContact O-N 3.02Å; L598-R600 PolarHBondContact O-N 3.47Å; L598-L670 HydrophobicContact CD2-CD2 3.84Å; L598-C673 HydrophobicContact CD2-CB 3.71Å
599S87.8Confident85.8Confident9 Ų936.7 Ų36.76%0.06319%0.193CC..  trans-63.5132.1179.2175.60000111.4F595 N601 S602 K682F595-S599 WeakPolarHBondContact O-CB 3.21Å; F595-S599 PolarHBondContact O-N 2.97Å; S599-N601 VanDerWaalsContact C-N 3.33Å; S599-N601 PolarHBondContact OG-N 3.3Å; S599-S602 WeakPolarHBondContact CB-OG 3.46Å; S599-S602 PolarHBondContact OG-N 3.25Å; S599-S602 PolarHBondContact OG-OG 3.06Å; S599-K682 PolarHBondContact O-NZ 2.95Å
600R79.9Confident85.2Confident222 Ų22237.3 Ų37.384%0.83820%0.197SC*.SBendtrans-72.8-28.4174.8-63.9-176.9-178.5-175.11.3112L598L598-R600 PolarHBondContact O-N 3.47Å
601N70.6Confident84.5Confident156 Ų15638.2 Ų38.283%0.83420%0.201SC*.SBendtrans-79.7-26.1179.8-62.9-16.5000111.4S599 G603S599-N601 VanDerWaalsContact C-N 3.33Å; S599-N601 PolarHBondContact OG-N 3.3Å; N601-G603 PolarHBondContact O-N 3.16Å; N601-G603 VanDerWaalsContact O-N 3.09Å
602S68.2Low83.3Confident14 Ų1444.2 Ų44.210%0.09823%0.228CC..  trans-76.995.3176-58.70000110.8S599 K682S599-S602 WeakPolarHBondContact CB-OG 3.46Å; S599-S602 PolarHBondContact OG-N 3.25Å; S599-S602 PolarHBondContact OG-OG 3.06Å; S602-K682 VanDerWaalsContact O-CE 3.3Å; S602-K682 WeakPolarHBondContact O-CE 3.37Å; S602-K682 PolarHBondContact O-NZ 3.2Å
603G69.4Low81.3Confident32 Ų3247.3 Ų47.333%0.3325%0.245SC..  trans-66.8174.6171.900000113.2N601 S605 A606N601-G603 PolarHBondContact O-N 3.16Å; N601-G603 VanDerWaalsContact O-N 3.09Å; G603-S605 PolarHBondContact O-N 3.21Å; G603-A606 PolarHBondContact O-N 3.18Å; G603-A606 VanDerWaalsContact O-N 3.12Å
604C77.6Confident79.2Confident44 Ų4451.3 Ų51.330%0.29726%0.263SS..Hα-helixtrans-62.1-13.7175.4-65.40000113.3A606 I607 S608C604-A606 VanDerWaalsContact C-N 3.35Å; C604-I607 PolarHBondContact O-N 2.57Å; C604-S608 PolarHBondContact O-N 2.98Å; C604-S608 PolarHBondContact O-OG 3.36Å
605S76.4Confident76.7Confident77 Ų7756.6 Ų56.654%0.53829%0.288SS..Hα-helixtrans-64-35.7172.951.40000112.6G603 S608 K609G603-S605 PolarHBondContact O-N 3.21Å; S605-S608 WeakPolarHBondContact O-CB 3.16Å; S605-S608 PolarHBondContact O-N 3.31Å; S605-K609 WeakPolarHBondContact O-CG 3.38Å; S605-K609 PolarHBondContact O-N 3.21Å
606A79.9Confident73.9Confident13 Ų1361.4 Ų61.411%0.10731%0.312CS..Hα-helixtrans-62.9-44.9176.400000111.1F536 G603 C604 S608 K609 L610F536-A606 HydrophobicContact CZ-CB 4.31Å; G603-A606 PolarHBondContact O-N 3.18Å; G603-A606 VanDerWaalsContact O-N 3.12Å; C604-A606 VanDerWaalsContact C-N 3.35Å; A606-S608 VanDerWaalsContact C-N 3.31Å; A606-S608 PolarHBondContact O-N 2.91Å; A606-K609 PolarHBondContact O-N 3.29Å; A606-L610 WeakPolarHBondContact O-CG 3.46Å; A606-L610 PolarHBondContact O-N 3.38Å
607I83.3Confident71.1Confident0 Ų071.1 Ų71.10%035%0.354CS..Hα-helixtrans-62.2-41.4173.1-63.1178.2000110.5C604 K609 L610 F611 V658 L662 K682 A686C604-I607 PolarHBondContact O-N 2.57Å; I607-K609 VanDerWaalsContact C-N 3.33Å; I607-K609 PolarHBondContact O-N 2.93Å; I607-L610 WeakPolarHBondContact O-CB 3.41Å; I607-L610 PolarHBondContact O-N 3.09Å; I607-F611 HydrophobicContact CG2-CD2 3.8Å; I607-F611 HydrophobicContact CG2-CE2 3.75Å; I607-F611 VanDerWaalsContact O-CD2 3.23Å; I607-F611 WeakPolarHBondContact O-CD2 3.38Å; I607-F611 PolarHBondContact O-N 3.2Å; I607-V658 HydrophobicContact CG1-CG1 4.49Å; I607-L662 HydrophobicContact CD1-CD1 4.44Å; I607-K682 HydrophobicContact CD1-CB 3.59Å; I607-K682 HydrophobicContact CD1-CD 3.92Å; I607-K682 HydrophobicContact CD1-CG 3.66Å; I607-A686 HydrophobicContact CG2-CB 4.33Å
608S82.6Confident68.4Low22 Ų2279.7 Ų79.715%0.15439%0.392CS..Hα-helixtrans-58.5-46.3178-52.50000111.5C604 S605 A606 L610 F611 E612 H685C604-S608 PolarHBondContact O-N 2.98Å; C604-S608 PolarHBondContact O-OG 3.36Å; S605-S608 WeakPolarHBondContact O-CB 3.16Å; S605-S608 PolarHBondContact O-N 3.31Å; A606-S608 VanDerWaalsContact C-N 3.31Å; A606-S608 PolarHBondContact O-N 2.91Å; S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.85Å; S608-F611 CarbonylContact O-C 3.24Å; S608-F611 PolarHBondContact O-N 2.86Å; S608-E612 WeakPolarHBondContact O-CB 3.2Å; S608-E612 VanDerWaalsContact O-CG 3.29Å; S608-E612 WeakPolarHBondContact O-CG 3.39Å; S608-E612 PolarHBondContact O-N 3.11Å; S608-H685 PolarHBondContact OG-NE2 3.25Å
609K82.6Confident65.6Low151 Ų15187.5 Ų87.566%0.65743%0.425SS*.Hα-helixtrans-59.3-37.6177.7-71.8-178.9177.2-169.50112.7S605 A606 I607 F611 E612S605-K609 WeakPolarHBondContact O-CG 3.38Å; S605-K609 PolarHBondContact O-N 3.21Å; A606-K609 PolarHBondContact O-N 3.29Å; I607-K609 VanDerWaalsContact C-N 3.33Å; I607-K609 PolarHBondContact O-N 2.93Å; K609-F611 VanDerWaalsContact C-N 3.28Å; K609-F611 PolarHBondContact O-N 2.8Å; K609-E612 PolarHBondContact O-N 3.31Å
610L84.2Confident62.8Low13 Ų1398.4 Ų98.47%0.06847%0.465CS..Hα-helixtrans-65.2-30.1176-68175.2000113.2A596 A606 I607 S608 L651 T654 A655 V658A596-L610 HydrophobicContact CB-CD1 4.46Å; A606-L610 WeakPolarHBondContact O-CG 3.46Å; A606-L610 PolarHBondContact O-N 3.38Å; I607-L610 WeakPolarHBondContact O-CB 3.41Å; I607-L610 PolarHBondContact O-N 3.09Å; S608-L610 VanDerWaalsContact C-N 3.29Å; S608-L610 PolarHBondContact O-N 2.85Å; L610-L651 HydrophobicContact CD2-CD2 3.82Å; L610-T654 HydrophobicContact CD1-CG2 4.08Å; L610-T654 HydrophobicContact CD2-CG2 3.98Å; L610-A655 HydrophobicContact CB-CB 4.14Å; L610-V658 HydrophobicContact CD1-CG2 3.84Å
611F81.4Confident60.5Low19 Ų1995.8 Ų95.88%0.08347%0.467CS..Hα-helixtrans-102.21.4177.3-66.7-77.9000113.6I607 S608 K609 L613 A655 V658 S659 A686 C689 L690 W720I607-F611 HydrophobicContact CG2-CD2 3.8Å; I607-F611 HydrophobicContact CG2-CE2 3.75Å; I607-F611 VanDerWaalsContact O-CD2 3.23Å; I607-F611 WeakPolarHBondContact O-CD2 3.38Å; I607-F611 PolarHBondContact O-N 3.2Å; S608-F611 CarbonylContact O-C 3.24Å; S608-F611 PolarHBondContact O-N 2.86Å; K609-F611 VanDerWaalsContact C-N 3.28Å; K609-F611 PolarHBondContact O-N 2.8Å; F611-L613 PolarHBondContact O-N 2.76Å; F611-A655 HydrophobicContact CD1-CB 4.39Å; F611-A655 HydrophobicContact CE1-CB 3.96Å; F611-A655 HydrophobicContact CZ-CB 4.02Å; F611-V658 HydrophobicContact CE2-CG1 4.41Å; F611-S659 WeakPolarHBondContact CZ-OG 3.28Å; F611-A686 HydrophobicContact CE2-CB 4.33Å; F611-C689 HydrophobicContact CB-CB 3.64Å; F611-C689 HydrophobicContact CD1-CB 4.4Å; F611-C689 HydrophobicContact CD2-CB 3.96Å; F611-C689 HydrophobicContact CG-CB 3.75Å; F611-L690 HydrophobicContact CD1-CD2 4.1Å; F611-L690 HydrophobicContact CE1-CD2 3.62Å; F611-L690 HydrophobicContact CE1-CG 4.19Å; F611-L690 HydrophobicContact CZ-CD2 4.45Å; F611-W720 AromaticContact CD1-CH2 3.75Å; F611-W720 HydrophobicContact CD1-CH2 3.75Å; F611-W720 HydrophobicContact CD1-CZ2 4.02Å; F611-W720 HydrophobicContact CE1-CH2 4.37Å; F611-W720 HydrophobicContact CE1-CZ2 4.23Å
612E71.8Confident58.6Low126 Ų126100.3 Ų100.359%0.58947%0.472SS*.  trans-74.5111.1178.2-92.8172.9-156.900108.8S608 K609 Q614S608-E612 WeakPolarHBondContact O-CB 3.2Å; S608-E612 VanDerWaalsContact O-CG 3.29Å; S608-E612 WeakPolarHBondContact O-CG 3.39Å; S608-E612 PolarHBondContact O-N 3.11Å; K609-E612 PolarHBondContact O-N 3.31Å; E612-Q614 PolarHBondContact O-N 2.9Å; E612-Q614 VanDerWaalsContact O-N 3.09Å
613L53.5Low56.7Low65 Ų65102.8 Ų102.834%0.3450%0.5SS..  trans-58110.3176.9-64.6161.1000109.8F611 E615 Q696 E717F611-L613 PolarHBondContact O-N 2.76Å; L613-E615 PolarHBondContact O-N 3.34Å; L613-Q696 HydrophobicContact CD1-CB 4.45Å; L613-E717 HydrophobicContact CD2-CG 4.49Å
614Q51.5Low54.6Low85 Ų85107.6 Ų107.640%0.39752%0.523SS..SBendtrans-70.6-9.5178.1-79.7-175.7-2900113.7E612 S643 T648E612-Q614 PolarHBondContact O-N 2.9Å; E612-Q614 VanDerWaalsContact O-N 3.09Å; Q614-S643 PolarHBondContact NE2-OG 2.76Å; Q614-T648 PolarHBondContact OE1-OG1 2.85Å
615E42.8Very low52.3Low111 Ų111111.6 Ų111.652%0.51955%0.55SS.*THydrogen-bonded Turntrans-109.261.4-178.3-86.5-77144.600112.7L613L613-E615 PolarHBondContact O-N 3.34Å
616M34.2Very low50.1Low123 Ų123117.9 Ų117.961%0.60657%0.568SS**THydrogen-bonded Turntrans-153.28.4162.3-91.9-55.7-176.700114.6
617K32.3Very low47.6Very low203 Ų203120.9 Ų120.988%0.88360%0.601SS**SBendtrans-80.4-18.5169.4-82.4-176.5179.2174.60113.3K619K617-K619 PolarHBondContact O-N 2.98Å
618K37Very low44.9Very low181 Ų181125.3 Ų125.379%0.78764%0.637SS**THydrogen-bonded Turntrans-80.1-1.3176.8-79.7-179177.5172.40115.8
619K31.6Very low42.5Very low171 Ų171130 Ų13074%0.74367%0.668SS**THydrogen-bonded Turntrans-115.825.7178.5-83.2-178.7179.6168.80115.2K617K617-K619 PolarHBondContact O-N 2.98Å
620R28.6Very low39.9Very low239 Ų239131.5 Ų131.590%0.90268%0.683SS**  trans-100.58.5162.2-107.9-174.5177.6-172.1-1.1114.5R622R620-R622 PolarHBondContact O-N 2.87Å
621L31.8Very low37.1Very low167 Ų167138.3 Ų138.387%0.87472%0.719SS**  trans-93.576.5158.5-79147.1000108.7
622R29.9Very low34.6Very low250 Ų250142.5 Ų142.594%0.94375%0.751SS**  trans-108.8112.2156.4-98.3-169.5178.2-170.70.5107.4R620R620-R622 PolarHBondContact O-N 2.87Å
623G27.7Very low32.3Very low66 Ų66143.1 Ų143.168%0.6876%0.763SS**SBendtrans158.996.116400000111.4
624T25.9Very low31Very low134 Ų134147.6 Ų147.682%0.82279%0.788SS**  trans95.683.9161.675.40000117.8F626T624-F626 VanDerWaalsContact C-N 3.3Å; T624-F626 PolarHBondContact O-N 3.07Å; T624-F626 VanDerWaalsContact O-N 3.15Å
625C30.4Very low29.7Very low128 Ų128150.2 Ų150.287%0.86581%0.809SS**  trans-67.393.2142.5-54.60000107.4
626F30.3Very low29.2Very low209 Ų209150 Ų15092%0.91782%0.818SS**  trans179.1111.6150.2-97.1-68.7000107.3T624T624-F626 VanDerWaalsContact C-N 3.3Å; T624-F626 PolarHBondContact O-N 3.07Å; T624-F626 VanDerWaalsContact O-N 3.15Å
627G25.6Very low28.6Very low76 Ų76151.5 Ų151.578%0.78483%0.828SS**  trans159.855178.500000113.6
628A27.3Very low28.2Very low92 Ų92149.5 Ų149.576%0.7683%0.826SS**  trans-65.2141.7155.400000108.4
629C32.6Very low27.7Very low121 Ų121145.6 Ų145.682%0.81883%0.827SS**  trans72102172.6-51.50000116
630L27Very low27.4Very low183 Ų183144.6 Ų144.696%0.95883%0.825SS**  trans-163.7133.8132.8-97.1166.1000109.4
631N25.4Very low27.5Very low156 Ų156142.5 Ų142.583%0.83483%0.826SS**  trans-73.9157.4-168.3-76.8-29.4000115.1
632S28.8Very low27.4Very low106 Ų106141.3 Ų141.374%0.74182%0.815SS**  trans8133.5156.663.70000120.5
633T23.5Very low27.7Very low139 Ų139132.2 Ų132.285%0.85379%0.79SS**  -163.2141.3114.537.30000111.3
634N27.5Very low28.3Very low160 Ų160130.8 Ų130.886%0.85677%0.768SS**  trans-52.6139179.6-68.8-31.5000114.9
635T23.6Very low29.1Very low139 Ų139131.1 Ų131.185%0.85376%0.762SS**  trans-154.8129.313723.50000109.2
636P32Very low29.5Very low108 Ų108125.6 Ų125.670%0.70173%0.726SS**  trans-90.6148.8173.535-28.6000110.4
637N21.8Very low30.7Very low154 Ų154117.6 Ų117.682%0.82469%0.691SS**  trans118.9101.2165.3-63.8-24.4000114.3
638I24.6Very low32.8Very low160 Ų160116 Ų11682%0.82167%0.666SS**  -164128.9108.5-84.8147.8000104.8E640I638-E640 PolarHBondContact O-N 3.42Å
639A25.6Very low35.5Very low99 Ų99112.1 Ų112.182%0.81863%0.633SS**  trans-57.3107.5177.300000109.9E641A639-E641 PolarHBondContact O-N 2.74Å
640E24.9Very low38.2Very low150 Ų150106.5 Ų106.570%0.70160%0.595SS**  trans-71.4108.1166.9-72.6-170.6145.400107.6I638 H642I638-E640 PolarHBondContact O-N 3.42Å; E640-H642 PolarHBondContact O-N 3.44Å; E640-H642 IonicContact OE2-CE1 2.96Å; E640-H642 PolarHBondContact OE2-CE1 2.92Å; E640-H642 IonicContact OE2-NE2 3.01Å; E640-H642 PolarHBondContact OE2-NE2 3.41Å
641E30.5Very low41.1Very low196 Ų19699.5 Ų99.592%0.91656%0.558SS**  trans-61.685.6162.5-80.7179.1157.500108.4A639 S643A639-E641 PolarHBondContact O-N 2.74Å; E641-S643 PolarHBondContact O-N 2.7Å
642H29.6Very low44.2Very low141 Ų14194.2 Ų94.265%0.65353%0.529SS*.  trans-78.488.8165.2-67.9-50.5000108.5E640 T644E640-H642 PolarHBondContact O-N 3.44Å; E640-H642 IonicContact OE2-CE1 2.96Å; E640-H642 PolarHBondContact OE2-CE1 2.92Å; E640-H642 IonicContact OE2-NE2 3.01Å; E640-H642 PolarHBondContact OE2-NE2 3.41Å; H642-T644 PolarHBondContact O-N 3.42Å
643S36.3Very low47.2Very low60 Ų6090.9 Ų90.942%0.4250%0.502SS..  trans-61.1118.4161.1580000108Q614 E641 E647Q614-S643 PolarHBondContact NE2-OG 2.76Å; E641-S643 PolarHBondContact O-N 2.7Å; S643-E647 WeakPolarHBondContact CB-OE2 3.49Å
644T40.3Very low50.6Low35 Ų3584.3 Ų84.322%0.21546%0.462CS..  trans-73.1150.9-175.159.30000110.6K369 H642 A646 E647K369-T644 WeakPolarHBondContact O-CB 3.2Å; K369-T644 WeakPolarHBondContact O-CG2 3.4Å; K369-T644 PolarHBondContact O-OG1 3.06Å; H642-T644 PolarHBondContact O-N 3.42Å; T644-A646 PolarHBondContact O-N 3.46Å; T644-E647 PolarHBondContact O-N 2.81Å; T644-E647 VanDerWaalsContact O-N 3.1Å
645M42.5Very low53.8Low142 Ų14276.7 Ų76.770%0.742%0.421SS*.THydrogen-bonded Turntrans-59-13.1179.1-64.3-172.186.800113.4
646A40.4Very low57.2Low12 Ų1270.8 Ų70.810%0.09939%0.385CS..THydrogen-bonded Turntrans-76.5-19.8177.400000114.1T644 P649T644-A646 PolarHBondContact O-N 3.46Å; A646-P649 WeakPolarHBondContact O-CD 3.4Å
647E54.8Low60.3Low40 Ų4065.7 Ų65.719%0.18735%0.352CS..SBendtrans-77.3-25.6-179.4-77.4176.4175.400113.4S542 S643 T644 L651S542-E647 WeakPolarHBondContact OG-CG 3.4Å; S542-E647 PolarHBondContact OG-OE1 3.24Å; S643-E647 WeakPolarHBondContact CB-OE2 3.49Å; T644-E647 PolarHBondContact O-N 2.81Å; T644-E647 VanDerWaalsContact O-N 3.1Å; E647-L651 WeakPolarHBondContact O-CG 3.37Å
648T70.7Confident63.8Low43 Ų4358.4 Ų58.426%0.26431%0.313SS..Hα-helixtrans-62.3-40.5-170.1-45.20000114.4Q614 L651 Q652Q614-T648 PolarHBondContact OE1-OG1 2.85Å; T648-L651 PolarHBondContact O-N 2.84Å; T648-Q652 WeakPolarHBondContact O-CG 3.42Å; T648-Q652 PolarHBondContact O-N 2.81Å
649P83.1Confident67.2Low11 Ų1150.8 Ų50.87%0.07127%0.274CS..Hα-helixtrans-69.2-38.2-176.1-23.135.9000114.4E412 A646 Q652 I653E412-P649 HydrophobicContact CB-CG 3.97Å; E412-P649 HydrophobicContact CG-CG 4.33Å; A646-P649 WeakPolarHBondContact O-CD 3.4Å; P649-Q652 WeakPolarHBondContact O-CB 3.42Å; P649-Q652 PolarHBondContact O-N 3.11Å; P649-I653 WeakPolarHBondContact O-CG1 3.43Å; P649-I653 PolarHBondContact O-N 2.89Å
650N88.6Confident70.6Confident2 Ų246.1 Ų46.11%0.01124%0.235CC..Hα-helixtrans-68.6-37.2178.7-71-22.5000111.4R410 I539 Y544 Q652 I653 T654R410-N650 PolarHBondContact NH1-OD1 3.28Å; R410-N650 PolarHBondContact NH2-OD1 2.88Å; I539-N650 HydrophobicContact CG2-CB 4.07Å; Y544-N650 PolarHBondContact OH-ND2 3.02Å; N650-Q652 VanDerWaalsContact C-N 3.35Å; N650-I653 PolarHBondContact O-N 2.79Å; N650-T654 WeakPolarHBondContact O-CB 3.43Å; N650-T654 PolarHBondContact O-N 3.46Å; N650-T654 PolarHBondContact O-OG1 3.28Å
651L88.8Confident73.9Confident36 Ų3639 Ų3919%0.18820%0.202CC..Hα-helixtrans-64.1-40.2172.6-64.8172.2000111.4I539 L610 E647 T648 T654 A655I539-L651 HydrophobicContact CG2-CD2 3.87Å; I539-L651 HydrophobicContact CG2-CG 4.44Å; L610-L651 HydrophobicContact CD2-CD2 3.82Å; E647-L651 WeakPolarHBondContact O-CG 3.37Å; T648-L651 PolarHBondContact O-N 2.84Å; L651-T654 PolarHBondContact O-N 2.86Å; L651-A655 WeakPolarHBondContact O-CB 3.45Å; L651-A655 PolarHBondContact O-N 3.16Å
652Q90.1Very high77Confident45 Ų4529.8 Ų29.821%0.2116%0.159CC..Hα-helixtrans-63.1-43.9175.2-77.7179.9-6.100112.6T648 P649 N650 A655 T656 W720T648-Q652 WeakPolarHBondContact O-CG 3.42Å; T648-Q652 PolarHBondContact O-N 2.81Å; P649-Q652 WeakPolarHBondContact O-CB 3.42Å; P649-Q652 PolarHBondContact O-N 3.11Å; N650-Q652 VanDerWaalsContact C-N 3.35Å; Q652-A655 PolarHBondContact O-N 3.33Å; Q652-T656 WeakPolarHBondContact O-CB 3.07Å; Q652-T656 PolarHBondContact O-N 2.91Å; Q652-T656 PolarHBondContact O-OG1 2.91Å; Q652-W720 HydrophobicContact CB-CD2 4.41Å; Q652-W720 HydrophobicContact CB-CG 4.21Å; Q652-W720 HydrophobicContact CG-CD2 3.9Å; Q652-W720 HydrophobicContact CG-CG 4Å; Q652-W720 HydrophobicContact CG-CZ2 4.21Å; Q652-W720 PolarHBondContact O-NE1 2.97Å
653I92.1Very high80Confident37 Ų3723.3 Ų23.319%0.1913%0.129CC..Hα-helixtrans-61.8-45.8174.2-65.6166.9000110A285 T586 C589 P649 N650 A655 T656 F657A285-I653 HydrophobicContact CB-CD1 4.15Å; T586-I653 HydrophobicContact CG2-CD1 4.5Å; C589-I653 HydrophobicContact CB-CB 4.2Å; C589-I653 HydrophobicContact CB-CG2 3.6Å; P649-I653 WeakPolarHBondContact O-CG1 3.43Å; P649-I653 PolarHBondContact O-N 2.89Å; N650-I653 PolarHBondContact O-N 2.79Å; I653-A655 PolarHBondContact O-N 2.88Å; I653-T656 VanDerWaalsContact O-CB 3.3Å; I653-T656 WeakPolarHBondContact O-CB 3.29Å; I653-T656 PolarHBondContact O-N 3.04Å; I653-T656 VanDerWaalsContact O-N 3.15Å; I653-F657 HydrophobicContact CG2-CD2 3.86Å; I653-F657 HydrophobicContact CG2-CE2 3.49Å; I653-F657 VanDerWaalsContact CG2-CE2 3.49Å; I653-F657 HydrophobicContact CG2-CZ 4.47Å; I653-F657 WeakPolarHBondContact O-CD2 3.49Å; I653-F657 PolarHBondContact O-N 2.98Å
654T94.6Very high82.6Confident1 Ų126.7 Ų26.71%0.00614%0.139CC..Hα-helixtrans-59.7-45.2177.7-56.60000111.5C589 A592 A593 L610 N650 L651 T656 F657 V658C589-T654 WeakPolarHBondContact CB-OG1 3.49Å; A592-T654 HydrophobicContact CB-CG2 4.15Å; A593-T654 HydrophobicContact CB-CG2 4.05Å; L610-T654 HydrophobicContact CD1-CG2 4.08Å; L610-T654 HydrophobicContact CD2-CG2 3.98Å; N650-T654 WeakPolarHBondContact O-CB 3.43Å; N650-T654 PolarHBondContact O-N 3.46Å; N650-T654 PolarHBondContact O-OG1 3.28Å; L651-T654 PolarHBondContact O-N 2.86Å; T654-T656 VanDerWaalsContact C-N 3.3Å; T654-T656 PolarHBondContact O-N 3.25Å; T654-F657 PolarHBondContact O-N 3.02Å; T654-V658 WeakPolarHBondContact O-CG2 3.23Å; T654-V658 PolarHBondContact O-N 3.31Å
655A94.2Very high84.8Confident0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-64.5-33.7176.200000113.2L610 F611 L651 Q652 I653 V658 S659 W720L610-A655 HydrophobicContact CB-CB 4.14Å; F611-A655 HydrophobicContact CD1-CB 4.39Å; F611-A655 HydrophobicContact CE1-CB 3.96Å; F611-A655 HydrophobicContact CZ-CB 4.02Å; L651-A655 WeakPolarHBondContact O-CB 3.45Å; L651-A655 PolarHBondContact O-N 3.16Å; Q652-A655 PolarHBondContact O-N 3.33Å; I653-A655 PolarHBondContact O-N 2.88Å; A655-V658 PolarHBondContact O-N 3.48Å; A655-S659 PolarHBondContact O-N 3.39Å; A655-S659 PolarHBondContact O-OG 3.04Å; A655-W720 HydrophobicContact CB-CZ2 3.62Å
656T95.4Very high87.1Confident15 Ų1524.9 Ų24.99%0.09212%0.12CC..Hα-helixtrans-62.6-48.2174.2-57.50000109.9Q652 I653 T654 S659 G660 W720 E727Q652-T656 WeakPolarHBondContact O-CB 3.07Å; Q652-T656 PolarHBondContact O-N 2.91Å; Q652-T656 PolarHBondContact O-OG1 2.91Å; I653-T656 VanDerWaalsContact O-CB 3.3Å; I653-T656 WeakPolarHBondContact O-CB 3.29Å; I653-T656 PolarHBondContact O-N 3.04Å; I653-T656 VanDerWaalsContact O-N 3.15Å; T654-T656 VanDerWaalsContact C-N 3.3Å; T654-T656 PolarHBondContact O-N 3.25Å; T656-S659 WeakPolarHBondContact O-CB 3.49Å; T656-S659 PolarHBondContact O-N 3.24Å; T656-G660 PolarHBondContact O-N 3Å; T656-G660 VanDerWaalsContact O-N 3.09Å; T656-W720 PolarHBondContact OG1-NE1 2.9Å; T656-E727 HydrophobicContact CG2-CB 4.5Å; T656-E727 HydrophobicContact CG2-CG 3.54Å
657F96.9Very high89.3Confident1 Ų126.4 Ų26.40%0.00413%0.126CC..Hα-helixtrans-64-39.7173.3-72.5-55.9000113.3I494 Y498 T586 C589 F590 A593 I653 T654 S659 G660 L661I494-F657 HydrophobicContact CG1-CE1 4.45Å; I494-F657 HydrophobicContact CG2-CD1 4.27Å; I494-F657 HydrophobicContact CG2-CE1 3.76Å; I494-F657 HydrophobicContact CG2-CZ 4.39Å; Y498-F657 HydrophobicContact CD1-CZ 4.24Å; Y498-F657 AromaticContact CD2-CE1 3.46Å; Y498-F657 HydrophobicContact CD2-CE1 3.46Å; Y498-F657 VanDerWaalsContact CD2-CE1 3.46Å; Y498-F657 AromaticContact CD2-CZ 3.46Å; Y498-F657 HydrophobicContact CD2-CZ 3.46Å; Y498-F657 VanDerWaalsContact CD2-CZ 3.46Å; Y498-F657 HydrophobicContact CE1-CZ 4.44Å; Y498-F657 HydrophobicContact CE2-CE1 4.11Å; Y498-F657 AromaticContact CE2-CZ 3.66Å; Y498-F657 HydrophobicContact CE2-CZ 3.66Å; Y498-F657 AromaticContact CG-CE1 3.74Å; Y498-F657 HydrophobicContact CG-CE1 3.74Å; Y498-F657 AromaticContact CG-CZ 3.78Å; Y498-F657 HydrophobicContact CG-CZ 3.78Å; T586-F657 WeakPolarHBondContact O-CE2 3.33Å; C589-F657 HydrophobicContact CB-CD2 4.27Å; C589-F657 HydrophobicContact CB-CE2 4.26Å; F590-F657 HydrophobicContact CB-CD1 4.5Å; F590-F657 HydrophobicContact CB-CD2 3.9Å; F590-F657 HydrophobicContact CB-CE1 4.41Å; F590-F657 HydrophobicContact CB-CE2 3.81Å; F590-F657 HydrophobicContact CB-CG 4.25Å; F590-F657 HydrophobicContact CB-CZ 4.08Å; F590-F657 HydrophobicContact CD2-CB 4.27Å; F590-F657 AromaticContact CD2-CD1 3.6Å; F590-F657 HydrophobicContact CD2-CD1 3.6Å; F590-F657 HydrophobicContact CD2-CD2 4.36Å; F590-F657 AromaticContact CD2-CE1 3.91Å; F590-F657 HydrophobicContact CD2-CE1 3.91Å; F590-F657 AromaticContact CD2-CG 3.85Å; F590-F657 HydrophobicContact CD2-CG 3.85Å; F590-F657 HydrophobicContact CD2-CZ 4.42Å; F590-F657 HydrophobicContact CE2-CD1 4.36Å; A593-F657 HydrophobicContact CB-CB 3.57Å; I653-F657 HydrophobicContact CG2-CD2 3.86Å; I653-F657 HydrophobicContact CG2-CE2 3.49Å; I653-F657 VanDerWaalsContact CG2-CE2 3.49Å; I653-F657 HydrophobicContact CG2-CZ 4.47Å; I653-F657 WeakPolarHBondContact O-CD2 3.49Å; I653-F657 PolarHBondContact O-N 2.98Å; T654-F657 PolarHBondContact O-N 3.02Å; F657-S659 PolarHBondContact O-N 2.93Å; F657-G660 PolarHBondContact O-N 3.45Å; F657-L661 WeakPolarHBondContact O-CB 3.35Å; F657-L661 VanDerWaalsContact O-CG 3.26Å; F657-L661 WeakPolarHBondContact O-CG 3.45Å; F657-L661 PolarHBondContact O-N 2.97Å
658V95.9Very high90.9Very high0 Ų032.8 Ų32.80%015%0.152CC..Hα-helixtrans-57.7-42174.3167.30000110.7A593 A596 I597 I607 L610 F611 T654 A655 L662A593-V658 HydrophobicContact CB-CG2 3.66Å; A596-V658 HydrophobicContact CB-CG2 4.39Å; I597-V658 HydrophobicContact CD1-CG1 4.35Å; I597-V658 HydrophobicContact CD1-CG2 4.5Å; I597-V658 HydrophobicContact CG1-CG1 4.41Å; I607-V658 HydrophobicContact CG1-CG1 4.49Å; L610-V658 HydrophobicContact CD1-CG2 3.84Å; F611-V658 HydrophobicContact CE2-CG1 4.41Å; T654-V658 WeakPolarHBondContact O-CG2 3.23Å; T654-V658 PolarHBondContact O-N 3.31Å; A655-V658 PolarHBondContact O-N 3.48Å; V658-L662 HydrophobicContact CG1-CD1 3.74Å; V658-L662 HydrophobicContact CG1-CG 4.49Å; V658-L662 WeakPolarHBondContact O-CB 3.43Å; V658-L662 VanDerWaalsContact O-CG 3.24Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.17Å; V658-L662 VanDerWaalsContact O-N 3.12Å
659S96.1Very high91.7Very high0 Ų032 Ų320%015%0.147CC..Hα-helixtrans-63-45.5177.8-54.80000111.6F611 A655 T656 F657 L662 S663 C724 M728F611-S659 WeakPolarHBondContact CZ-OG 3.28Å; A655-S659 PolarHBondContact O-N 3.39Å; A655-S659 PolarHBondContact O-OG 3.04Å; T656-S659 WeakPolarHBondContact O-CB 3.49Å; T656-S659 PolarHBondContact O-N 3.24Å; F657-S659 PolarHBondContact O-N 2.93Å; S659-L662 PolarHBondContact O-N 3.4Å; S659-S663 PolarHBondContact O-N 3.41Å; S659-C724 VanDerWaalsContact CB-O 3.25Å; S659-C724 WeakPolarHBondContact CB-O 3.43Å; S659-C724 WeakPolarHBondContact OG-CB 3.27Å; S659-M728 WeakPolarHBondContact O-CA 3.45Å
660G96.1Very high92Very high1 Ų131.6 Ų31.61%0.0114%0.144CC..Hα-helixtrans-67.9-42179.200000114.2T656 F657 L662 S663 E727T656-G660 PolarHBondContact O-N 3Å; T656-G660 VanDerWaalsContact O-N 3.09Å; F657-G660 PolarHBondContact O-N 3.45Å; G660-L662 VanDerWaalsContact C-N 3.28Å; G660-L662 PolarHBondContact O-N 3.4Å; G660-S663 WeakPolarHBondContact O-CB 3.37Å; G660-S663 PolarHBondContact O-N 3.34Å; G660-S663 PolarHBondContact O-OG 2.99Å; G660-E727 WeakPolarHBondContact CA-O 3.3Å
661L95.1Very high92Very high2 Ų235 Ų351%0.0116%0.159CC..Hα-helixtrans-64.6-33.8177.6-72168.1000111.7T495 L499 F590 A593 L594 I597 F657 S663 L670T495-L661 HydrophobicContact CG2-CD2 3.94Å; T495-L661 HydrophobicContact CG2-CG 3.91Å; L499-L661 HydrophobicContact CD1-CD2 4.16Å; L499-L661 HydrophobicContact CD2-CD2 3.93Å; L499-L661 HydrophobicContact CG-CD2 4.19Å; F590-L661 HydrophobicContact CE2-CD1 4.29Å; F590-L661 HydrophobicContact CE2-CD2 4.06Å; F590-L661 HydrophobicContact CE2-CG 4.42Å; F590-L661 HydrophobicContact CZ-CD2 4.49Å; A593-L661 HydrophobicContact CB-CD1 4Å; L594-L661 HydrophobicContact CD2-CD1 3.82Å; L594-L661 HydrophobicContact CD2-CD2 3.86Å; L594-L661 HydrophobicContact CD2-CG 4.5Å; L594-L661 HydrophobicContact CG-CD1 3.84Å; I597-L661 HydrophobicContact CD1-CB 3.34Å; I597-L661 HydrophobicContact CD1-CD1 3.82Å; I597-L661 HydrophobicContact CD1-CG 4.23Å; F657-L661 WeakPolarHBondContact O-CB 3.35Å; F657-L661 VanDerWaalsContact O-CG 3.26Å; F657-L661 WeakPolarHBondContact O-CG 3.45Å; F657-L661 PolarHBondContact O-N 2.97Å; L661-S663 PolarHBondContact O-N 2.75Å; L661-L670 WeakPolarHBondContact O-CD1 3.44Å
662L94.8Very high92Very high1 Ų135.5 Ų35.51%0.00516%0.16CC..THydrogen-bonded Turntrans-81.34.7175.5-66.1173000113.8I597 I607 V658 S659 G660 L670 V679 K682 A686I597-L662 HydrophobicContact CD1-CD2 4.09Å; I597-L662 HydrophobicContact CD1-CG 3.85Å; I597-L662 HydrophobicContact CG1-CD2 4.15Å; I597-L662 HydrophobicContact CG1-CG 4.23Å; I597-L662 HydrophobicContact CG2-CD2 4.07Å; I607-L662 HydrophobicContact CD1-CD1 4.44Å; V658-L662 HydrophobicContact CG1-CD1 3.74Å; V658-L662 HydrophobicContact CG1-CG 4.49Å; V658-L662 WeakPolarHBondContact O-CB 3.43Å; V658-L662 VanDerWaalsContact O-CG 3.24Å; V658-L662 WeakPolarHBondContact O-CG 3.4Å; V658-L662 PolarHBondContact O-N 3.17Å; V658-L662 VanDerWaalsContact O-N 3.12Å; S659-L662 PolarHBondContact O-N 3.4Å; G660-L662 VanDerWaalsContact C-N 3.28Å; G660-L662 PolarHBondContact O-N 3.4Å; L662-L670 HydrophobicContact CD2-CD1 4.38Å; L662-V679 HydrophobicContact CD2-CG1 4.33Å; L662-K682 HydrophobicContact CD1-CB 4.49Å; L662-K682 HydrophobicContact CD2-CB 4.27Å; L662-A686 HydrophobicContact CD1-CB 3.85Å
663S93.3Very high91.8Very high5 Ų534.1 Ų34.14%0.03516%0.155CC..SBendtrans-62.4154.2174.570.60000111.8S659 G660 L661 R665 Y666 Q667 M728S659-S663 PolarHBondContact O-N 3.41Å; G660-S663 WeakPolarHBondContact O-CB 3.37Å; G660-S663 PolarHBondContact O-N 3.34Å; G660-S663 PolarHBondContact O-OG 2.99Å; L661-S663 PolarHBondContact O-N 2.75Å; S663-R665 PolarHBondContact O-N 3.41Å; S663-R665 VanDerWaalsContact O-N 3.11Å; S663-Y666 PolarHBondContact O-N 3.29Å; S663-Y666 VanDerWaalsContact O-N 3.14Å; S663-Y666 WeakPolarHBondContact OG-CD2 3.48Å; S663-Q667 PolarHBondContact O-N 2.89Å; S663-M728 WeakPolarHBondContact CB-O 3.48Å
664Q90Very high91.6Very high132 Ų13233 Ų3362%0.61715%0.151SC*.THydrogen-bonded Turntrans-58.6-28.1179.6-68.8-178.62.900112.7Y666Q664-Y666 VanDerWaalsContact C-N 3.32Å; Q664-Y666 PolarHBondContact O-N 3.22Å
665R88.1Confident91.3Very high112 Ų11236.3 Ų36.342%0.42317%0.174SC..THydrogen-bonded Turntrans-61.2-38.9179-177-178.1177.6167.17112.7S490 D496 S663S490-R665 PolarHBondContact O-NH1 2.81Å; S490-R665 PolarHBondContact O-NH2 2.93Å; D496-R665 VanDerWaalsContact CG-NH1 3.33Å; D496-R665 IonicContact OD1-CZ 3.9Å; D496-R665 IonicContact OD1-NH1 3.8Å; D496-R665 PolarHBondContact OD1-NH1 3.38Å; D496-R665 IonicContact OD2-NH1 3.17Å; D496-R665 PolarHBondContact OD2-NH1 3Å; S663-R665 PolarHBondContact O-N 3.41Å; S663-R665 VanDerWaalsContact O-N 3.11Å
666Y89.4Confident91.1Very high26 Ų2638.9 Ų38.910%0.10219%0.192CC..THydrogen-bonded Turntrans-101.10.6-173.4-62.4-57.4000114.2D496 L499 S663 Q664 K668 L669 L670D496-Y666 WeakPolarHBondContact OD1-CE2 3.08Å; D496-Y666 VanDerWaalsContact OD1-CZ 3.29Å; D496-Y666 PolarHBondContact OD1-OH 3.41Å; L499-Y666 HydrophobicContact CD1-CD1 3.65Å; L499-Y666 HydrophobicContact CD1-CD2 3.7Å; L499-Y666 HydrophobicContact CD1-CE1 3.41Å; L499-Y666 VanDerWaalsContact CD1-CE1 3.41Å; L499-Y666 HydrophobicContact CD1-CE2 3.46Å; L499-Y666 VanDerWaalsContact CD1-CE2 3.46Å; L499-Y666 HydrophobicContact CD1-CG 3.8Å; S663-Y666 PolarHBondContact O-N 3.29Å; S663-Y666 VanDerWaalsContact O-N 3.14Å; S663-Y666 WeakPolarHBondContact OG-CD2 3.48Å; Q664-Y666 VanDerWaalsContact C-N 3.32Å; Q664-Y666 PolarHBondContact O-N 3.22Å; Y666-K668 VanDerWaalsContact C-N 3.29Å; Y666-K668 PolarHBondContact O-N 3.44Å; Y666-L669 HydrophobicContact CD1-CD2 4.4Å; Y666-L669 WeakPolarHBondContact O-CB 3.22Å; Y666-L669 PolarHBondContact O-N 3.14Å; Y666-L669 VanDerWaalsContact O-N 3.1Å; Y666-L670 WeakPolarHBondContact O-CG 3.25Å; Y666-L670 PolarHBondContact O-N 2.8Å
667Q88.3Confident90.8Very high45 Ų4541.8 Ų41.821%0.2121%0.209CC..Hα-helixtrans-55.4-42.4176.8-75.3-177.8-4.200112.8S663 L669 L670 F671S663-Q667 PolarHBondContact O-N 2.89Å; Q667-L669 VanDerWaalsContact C-N 3.33Å; Q667-L669 PolarHBondContact O-N 3.39Å; Q667-L670 PolarHBondContact O-N 3.26Å; Q667-F671 HydrophobicContact CB-CE1 4.32Å; Q667-F671 HydrophobicContact CB-CE2 4Å; Q667-F671 HydrophobicContact CB-CZ 3.87Å; Q667-F671 HydrophobicContact CG-CZ 4.33Å; Q667-F671 WeakPolarHBondContact O-CB 3.26Å; Q667-F671 VanDerWaalsContact O-CD1 3.31Å; Q667-F671 WeakPolarHBondContact O-CD1 3.4Å; Q667-F671 WeakPolarHBondContact O-CD2 3.31Å; Q667-F671 WeakPolarHBondContact O-CG 3.18Å; Q667-F671 PolarHBondContact O-N 3.47Å
668K87.3Confident90.4Very high173 Ų17343.9 Ų43.975%0.75222%0.22SC*.Hα-helixtrans-60.4-42.3178-69.5-175.9-179.1177.80112.2Y666Y666-K668 VanDerWaalsContact C-N 3.29Å; Y666-K668 PolarHBondContact O-N 3.44Å
669L87.9Confident90.2Very high28 Ų2843.9 Ų43.915%0.14722%0.22CC..Hα-helixtrans-64.5-45.4176.4-178.265.8000110.6L499 W520 L521 Y666 Q667 F671 Q672L499-L669 HydrophobicContact CD2-CD2 4.29Å; W520-L669 HydrophobicContact CZ2-CD1 4.46Å; W520-L669 HydrophobicContact CZ2-CD2 4.22Å; L521-L669 HydrophobicContact CB-CD1 3.9Å; L521-L669 HydrophobicContact CB-CG 4.49Å; L521-L669 HydrophobicContact CD2-CD1 4.13Å; L521-L669 HydrophobicContact CD2-CD2 4.1Å; L521-L669 HydrophobicContact CD2-CG 3.79Å; Y666-L669 HydrophobicContact CD1-CD2 4.4Å; Y666-L669 WeakPolarHBondContact O-CB 3.22Å; Y666-L669 PolarHBondContact O-N 3.14Å; Y666-L669 VanDerWaalsContact O-N 3.1Å; Q667-L669 VanDerWaalsContact C-N 3.33Å; Q667-L669 PolarHBondContact O-N 3.39Å; L669-F671 PolarHBondContact O-N 2.89Å; L669-Q672 WeakPolarHBondContact O-CB 3.42Å; L669-Q672 PolarHBondContact O-N 3.11Å
670L89.3Confident90Very high2 Ų248 Ų481%0.0124%0.239CC..Hα-helixtrans-67.3-33.4179.3-66.6-179.7000113.6I597 L598 L661 L662 Y666 Q667 Q672 C673 S674 V679I597-L670 HydrophobicContact CG2-CD1 3.99Å; I597-L670 HydrophobicContact CG2-CD2 4.12Å; L598-L670 HydrophobicContact CD2-CD2 3.84Å; L661-L670 WeakPolarHBondContact O-CD1 3.44Å; L662-L670 HydrophobicContact CD2-CD1 4.38Å; Y666-L670 WeakPolarHBondContact O-CG 3.25Å; Y666-L670 PolarHBondContact O-N 2.8Å; Q667-L670 PolarHBondContact O-N 3.26Å; L670-Q672 PolarHBondContact O-N 2.89Å; L670-C673 PolarHBondContact O-N 2.88Å; L670-C673 VanDerWaalsContact O-N 3.09Å; L670-S674 PolarHBondContact O-N 2.78Å; L670-V679 HydrophobicContact CB-CG1 4.2Å; L670-V679 HydrophobicContact CB-CG2 4.19Å; L670-V679 HydrophobicContact CD1-CG1 3.93Å
671F89.6Confident89.8Confident73 Ų7355.9 Ų55.932%0.3227%0.269SS..Hα-helixtrans-67.3-18.3178.6-65.4-17.3000113.4Q667 L669 S674 V679Q667-F671 HydrophobicContact CB-CE1 4.32Å; Q667-F671 HydrophobicContact CB-CE2 4Å; Q667-F671 HydrophobicContact CB-CZ 3.87Å; Q667-F671 HydrophobicContact CG-CZ 4.33Å; Q667-F671 WeakPolarHBondContact O-CB 3.26Å; Q667-F671 VanDerWaalsContact O-CD1 3.31Å; Q667-F671 WeakPolarHBondContact O-CD1 3.4Å; Q667-F671 WeakPolarHBondContact O-CD2 3.31Å; Q667-F671 WeakPolarHBondContact O-CG 3.18Å; Q667-F671 PolarHBondContact O-N 3.47Å; L669-F671 PolarHBondContact O-N 2.89Å; F671-S674 CarbonylContact C-O 3.5Å; F671-S674 WeakPolarHBondContact CA-O 3.45Å; F671-S674 VanDerWaalsContact O-O 3.13Å; F671-V679 HydrophobicContact CD1-CB 4.17Å; F671-V679 HydrophobicContact CD1-CG1 4.31Å; F671-V679 HydrophobicContact CD1-CG2 4.35Å; F671-V679 HydrophobicContact CE1-CB 3.86Å; F671-V679 HydrophobicContact CE1-CG1 3.85Å
672Q87.1Confident89.6Confident47 Ų4755.8 Ų55.822%0.2227%0.269CS..Hα-helixtrans-74.4-30.9172.3-63.5163.7-11.100111.7V518 N519 Q522 L669 L670V518-Q672 VanDerWaalsContact CG1-NE2 3.32Å; V518-Q672 PolarHBondContact O-NE2 3.18Å; V518-Q672 PolarHBondContact O-OE1 3.29Å; N519-Q672 PolarHBondContact OD1-NE2 3.31Å; Q522-Q672 HydrophobicContact CB-CB 4.42Å; L669-Q672 WeakPolarHBondContact O-CB 3.42Å; L669-Q672 PolarHBondContact O-N 3.11Å; L670-Q672 PolarHBondContact O-N 2.89Å
673C86.9Confident89.5Confident16 Ų1656.1 Ų56.111%0.10827%0.271CS..Hα-helixtrans-98-24.5-175.5-580000113L525 L598 L670L525-C673 HydrophobicContact CD1-CB 4Å; L525-C673 HydrophobicContact CD2-CB 4.23Å; L598-C673 HydrophobicContact CD2-CB 3.71Å; L670-C673 PolarHBondContact O-N 2.88Å; L670-C673 VanDerWaalsContact O-N 3.09Å
674S86.7Confident89.5Confident14 Ų1462.5 Ų62.510%0.09830%0.298CS..SBendtrans-145.8160.9-174.8-1660000112.5L670 F671 L678L670-S674 PolarHBondContact O-N 2.78Å; F671-S674 CarbonylContact C-O 3.5Å; F671-S674 WeakPolarHBondContact CA-O 3.45Å; F671-S674 VanDerWaalsContact O-O 3.13Å; S674-L678 WeakPolarHBondContact OG-CD2 3.43Å
675S89.2Confident89.6Confident69 Ų6958.7 Ų58.748%0.48328%0.28SS..  trans-65.4137.6179.769.80000111.4V677 L678 V679S675-V677 PolarHBondContact O-N 2.88Å; S675-L678 PolarHBondContact O-N 2.9Å; S675-L678 VanDerWaalsContact OG-CB 3.23Å; S675-L678 WeakPolarHBondContact OG-CB 3.23Å; S675-L678 PolarHBondContact OG-N 2.99Å; S675-V679 PolarHBondContact O-N 2.9Å
676S89.6Confident89.8Confident54 Ų5453.3 Ų53.338%0.37826%0.26SS..Hα-helixtrans-54-41.4177.957.80000112.6L678 V679 E680S676-L678 VanDerWaalsContact C-N 3.33Å; S676-L678 PolarHBondContact O-N 2.73Å; S676-V679 PolarHBondContact O-N 2.77Å; S676-E680 WeakPolarHBondContact O-CB 3.35Å; S676-E680 WeakPolarHBondContact O-CG 3.45Å; S676-E680 PolarHBondContact O-N 2.9Å
677V90Very high90Very high76 Ų7654.5 Ų54.546%0.46127%0.266SS..Hα-helixtrans-59.2-41.2178.21800000112.2S675 R681S675-V677 PolarHBondContact O-N 2.88Å; V677-R681 WeakPolarHBondContact O-CB 3.31Å; V677-R681 WeakPolarHBondContact O-CG 3.38Å; V677-R681 PolarHBondContact O-N 2.96Å
678L88.9Confident90.2Very high45 Ų4559.1 Ų59.124%0.23629%0.285CS..Hα-helixtrans-68.7-47.6179-171.588.6000111S674 S675 S676 R681 K682S674-L678 WeakPolarHBondContact OG-CD2 3.43Å; S675-L678 PolarHBondContact O-N 2.9Å; S675-L678 VanDerWaalsContact OG-CB 3.23Å; S675-L678 WeakPolarHBondContact OG-CB 3.23Å; S675-L678 PolarHBondContact OG-N 2.99Å; S676-L678 VanDerWaalsContact C-N 3.33Å; S676-L678 PolarHBondContact O-N 2.73Å; L678-R681 PolarHBondContact O-N 3.36Å; L678-K682 HydrophobicContact CG-CD 4.43Å; L678-K682 WeakPolarHBondContact O-CG 3.49Å; L678-K682 PolarHBondContact O-N 3.5Å
679V90.2Very high90.4Very high0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-63.6-43.4-178.9174.60000110.6L662 L670 F671 S675 S676 R681 K682 T683L662-V679 HydrophobicContact CD2-CG1 4.33Å; L670-V679 HydrophobicContact CB-CG1 4.2Å; L670-V679 HydrophobicContact CB-CG2 4.19Å; L670-V679 HydrophobicContact CD1-CG1 3.93Å; F671-V679 HydrophobicContact CD1-CB 4.17Å; F671-V679 HydrophobicContact CD1-CG1 4.31Å; F671-V679 HydrophobicContact CD1-CG2 4.35Å; F671-V679 HydrophobicContact CE1-CB 3.86Å; F671-V679 HydrophobicContact CE1-CG1 3.85Å; S675-V679 PolarHBondContact O-N 2.9Å; S676-V679 PolarHBondContact O-N 2.77Å; V679-R681 PolarHBondContact O-N 2.98Å; V679-K682 PolarHBondContact O-N 3.02Å; V679-T683 WeakPolarHBondContact O-CB 3.12Å; V679-T683 PolarHBondContact O-N 3.07Å; V679-T683 PolarHBondContact O-OG1 3.46Å
680E92.1Very high90.6Very high86 Ų8650.7 Ų50.740%0.40225%0.25SS..Hα-helixtrans-63.3-40.2175.1-75.3-179.6-166.400112.5S676 T683 K684S676-E680 WeakPolarHBondContact O-CB 3.35Å; S676-E680 WeakPolarHBondContact O-CG 3.45Å; S676-E680 PolarHBondContact O-N 2.9Å; E680-T683 PolarHBondContact O-N 3.13Å; E680-K684 WeakPolarHBondContact O-CG 3.31Å; E680-K684 PolarHBondContact O-N 2.86Å
681R91.6Very high90.6Very high167 Ų16752.1 Ų52.163%0.6326%0.261SS*.Hα-helixtrans-61.5-46.7174.4-79174.2-177.3-177.82.6111.2V677 L678 V679 H685V677-R681 WeakPolarHBondContact O-CB 3.31Å; V677-R681 WeakPolarHBondContact O-CG 3.38Å; V677-R681 PolarHBondContact O-N 2.96Å; L678-R681 PolarHBondContact O-N 3.36Å; V679-R681 PolarHBondContact O-N 2.98Å; R681-H685 WeakPolarHBondContact O-CB 3.07Å; R681-H685 PolarHBondContact O-N 3.22Å
682K91.4Very high90.6Very high1 Ų154.4 Ų54.40%0.00427%0.27CS..Hα-helixtrans-62.2-41.6177-73.3-175.9177.3-172.40111.5A596 I597 S599 S602 I607 L662 L678 V679 H685 A686A596-K682 PolarHBondContact O-NZ 2.9Å; I597-K682 PolarHBondContact O-NZ 2.84Å; S599-K682 PolarHBondContact O-NZ 2.95Å; S602-K682 VanDerWaalsContact O-CE 3.3Å; S602-K682 WeakPolarHBondContact O-CE 3.37Å; S602-K682 PolarHBondContact O-NZ 3.2Å; I607-K682 HydrophobicContact CD1-CB 3.59Å; I607-K682 HydrophobicContact CD1-CD 3.92Å; I607-K682 HydrophobicContact CD1-CG 3.66Å; L662-K682 HydrophobicContact CD1-CB 4.49Å; L662-K682 HydrophobicContact CD2-CB 4.27Å; L678-K682 HydrophobicContact CG-CD 4.43Å; L678-K682 WeakPolarHBondContact O-CG 3.49Å; L678-K682 PolarHBondContact O-N 3.5Å; V679-K682 PolarHBondContact O-N 3.02Å; K682-H685 PolarHBondContact O-N 3.36Å; K682-A686 PolarHBondContact O-N 2.74Å
683T93.8Very high90.7Very high8 Ų852.5 Ų52.55%0.04926%0.263CS..Hα-helixtrans-58.8-56.1175.9-54.60000111.3V679 E680 H685 A686 E687 M728V679-T683 WeakPolarHBondContact O-CB 3.12Å; V679-T683 PolarHBondContact O-N 3.07Å; V679-T683 PolarHBondContact O-OG1 3.46Å; E680-T683 PolarHBondContact O-N 3.13Å; T683-H685 PolarHBondContact O-N 3.03Å; T683-A686 PolarHBondContact O-N 2.78Å; T683-A686 VanDerWaalsContact O-N 3.13Å; T683-E687 WeakPolarHBondContact O-CG 3.46Å; T683-E687 PolarHBondContact O-N 3Å; T683-M728 HydrophobicContact CG2-CE 3.6Å
684K92.4Very high90.7Very high139 Ų13951.8 Ų51.860%0.60426%0.258SS*.Hα-helixtrans-58.6-34.6178.8-73.3175.6179.3169.40112.4E680 K688E680-K684 WeakPolarHBondContact O-CG 3.31Å; E680-K684 PolarHBondContact O-N 2.86Å; K684-K688 WeakPolarHBondContact O-CB 3.49Å; K684-K688 PolarHBondContact O-N 2.66Å; K684-K688 VanDerWaalsContact O-N 3.08Å
685H91.7Very high90.6Very high51 Ų5154.1 Ų54.124%0.23627%0.268CS..Hα-helixtrans-70.7-42.5178.2-160.179.4000111.9S608 R681 K682 T683 K688 C689S608-H685 PolarHBondContact OG-NE2 3.25Å; R681-H685 WeakPolarHBondContact O-CB 3.07Å; R681-H685 PolarHBondContact O-N 3.22Å; K682-H685 PolarHBondContact O-N 3.36Å; T683-H685 PolarHBondContact O-N 3.03Å; H685-K688 WeakPolarHBondContact O-CB 3.5Å; H685-K688 PolarHBondContact O-N 3.39Å; H685-C689 PolarHBondContact O-N 3.09Å; H685-C689 PolarHBondContact O-SG 3.24Å; H685-C689 VanDerWaalsContact O-SG 3.34Å
686A92.7Very high90.4Very high0 Ų054.5 Ų54.50%026%0.262CS..Hα-helixtrans-60.9-45.7173.100000111.8I607 F611 L662 K682 T683 K688 C689 L690I607-A686 HydrophobicContact CG2-CB 4.33Å; F611-A686 HydrophobicContact CE2-CB 4.33Å; L662-A686 HydrophobicContact CD1-CB 3.85Å; K682-A686 PolarHBondContact O-N 2.74Å; T683-A686 PolarHBondContact O-N 2.78Å; T683-A686 VanDerWaalsContact O-N 3.13Å; A686-K688 VanDerWaalsContact C-N 3.27Å; A686-K688 PolarHBondContact O-N 3.12Å; A686-C689 WeakPolarHBondContact O-CB 3.24Å; A686-C689 PolarHBondContact O-N 2.6Å; A686-C689 VanDerWaalsContact O-N 3.1Å; A686-L690 WeakPolarHBondContact O-CG 3.24Å; A686-L690 PolarHBondContact O-N 3.3Å
687E93.6Very high90.1Very high50 Ų5052.6 Ų52.623%0.23425%0.247CC..Hα-helixtrans-57.3-40.8175.2-67.4178.5155.600112.2T683 L690 S691 M728 N730 L733T683-E687 WeakPolarHBondContact O-CG 3.46Å; T683-E687 PolarHBondContact O-N 3Å; E687-L690 PolarHBondContact O-N 3.48Å; E687-S691 VanDerWaalsContact O-CB 3.3Å; E687-S691 WeakPolarHBondContact O-CB 3.4Å; E687-S691 PolarHBondContact O-N 3.49Å; E687-S691 PolarHBondContact O-OG 3.32Å; E687-M728 HydrophobicContact CG-CE 3.26Å; E687-M728 HydrophobicContact CG-SD 3.82Å; E687-M728 WeakPolarHBondContact OE1-CE 3.31Å; E687-N730 PolarHBondContact OE1-ND2 3.35Å; E687-L733 HydrophobicContact CB-CD1 4.36Å; E687-L733 HydrophobicContact CG-CD2 4.36Å
688K91.7Very high89.7Confident142 Ų14250.4 Ų50.462%0.61723%0.231SC*.Hα-helixtrans-65.4-42.3176.5-175.7-178.7-180-178.70111.4K684 H685 A686 K692K684-K688 WeakPolarHBondContact O-CB 3.49Å; K684-K688 PolarHBondContact O-N 2.66Å; K684-K688 VanDerWaalsContact O-N 3.08Å; H685-K688 WeakPolarHBondContact O-CB 3.5Å; H685-K688 PolarHBondContact O-N 3.39Å; A686-K688 VanDerWaalsContact C-N 3.27Å; A686-K688 PolarHBondContact O-N 3.12Å; K688-K692 WeakPolarHBondContact O-CB 3.03Å; K688-K692 PolarHBondContact O-N 3.23Å
689C91.5Very high89.2Confident25 Ų2557.6 Ų57.617%0.16926%0.255CS..Hα-helixtrans-61.1-48.7175.4-70.80000111.3F611 H685 A686 K692 G693F611-C689 HydrophobicContact CB-CB 3.64Å; F611-C689 HydrophobicContact CD1-CB 4.4Å; F611-C689 HydrophobicContact CD2-CB 3.96Å; F611-C689 HydrophobicContact CG-CB 3.75Å; H685-C689 PolarHBondContact O-N 3.09Å; H685-C689 PolarHBondContact O-SG 3.24Å; H685-C689 VanDerWaalsContact O-SG 3.34Å; A686-C689 WeakPolarHBondContact O-CB 3.24Å; A686-C689 PolarHBondContact O-N 2.6Å; A686-C689 VanDerWaalsContact O-N 3.1Å; C689-K692 PolarHBondContact O-N 2.86Å; C689-G693 PolarHBondContact O-N 3.31Å
690L92.2Very high88.6Confident0 Ų060.8 Ų60.80%028%0.278CS..Hα-helixtrans-60.7-48.3178-68.5173.6000111.9F611 A686 E687 K692 G693 M694 L721 C724 I725 M728 L733F611-L690 HydrophobicContact CD1-CD2 4.1Å; F611-L690 HydrophobicContact CE1-CD2 3.62Å; F611-L690 HydrophobicContact CE1-CG 4.19Å; F611-L690 HydrophobicContact CZ-CD2 4.45Å; A686-L690 WeakPolarHBondContact O-CG 3.24Å; A686-L690 PolarHBondContact O-N 3.3Å; E687-L690 PolarHBondContact O-N 3.48Å; L690-K692 VanDerWaalsContact C-N 3.29Å; L690-K692 PolarHBondContact O-N 3.18Å; L690-G693 PolarHBondContact O-N 3.12Å; L690-M694 WeakPolarHBondContact O-CG 3.33Å; L690-M694 PolarHBondContact O-N 3.16Å; L690-L721 HydrophobicContact CD2-CD2 3.95Å; L690-C724 HydrophobicContact CD1-CB 4.39Å; L690-C724 HydrophobicContact CD2-CB 3.47Å; L690-C724 VanDerWaalsContact CD2-CB 3.47Å; L690-I725 HydrophobicContact CB-CG1 4.46Å; L690-I725 HydrophobicContact CD1-CG1 4.31Å; L690-M728 HydrophobicContact CD1-SD 4.11Å; L690-L733 HydrophobicContact CB-CD2 4.27Å; L690-L733 HydrophobicContact CD1-CD2 3.71Å
691S90.4Very high87.7Confident32 Ų3258.4 Ų58.422%0.22427%0.267CS..Hα-helixtrans-59.5-40.9177-64.70000112.1E687 Q695 L733E687-S691 VanDerWaalsContact O-CB 3.3Å; E687-S691 WeakPolarHBondContact O-CB 3.4Å; E687-S691 PolarHBondContact O-N 3.49Å; E687-S691 PolarHBondContact O-OG 3.32Å; S691-Q695 WeakPolarHBondContact O-CB 3.3Å; S691-Q695 WeakPolarHBondContact O-CG 3.28Å; S691-Q695 PolarHBondContact O-N 3.27Å; S691-Q695 VanDerWaalsContact O-N 3.1Å; S691-L733 VanDerWaalsContact OG-CD1 3.25Å; S691-L733 WeakPolarHBondContact OG-CD1 3.35Å
692K88.6Confident86.6Confident120 Ų12055.6 Ų55.652%0.52227%0.27SS..Hα-helixtrans-69.1-43178-174.7-176.6174-168.20111.3K688 C689 L690 Q695 Q696K688-K692 WeakPolarHBondContact O-CB 3.03Å; K688-K692 PolarHBondContact O-N 3.23Å; C689-K692 PolarHBondContact O-N 2.86Å; L690-K692 VanDerWaalsContact C-N 3.29Å; L690-K692 PolarHBondContact O-N 3.18Å; K692-Q695 PolarHBondContact O-N 3.06Å; K692-Q696 HydrophobicContact CG-CG 4.37Å; K692-Q696 WeakPolarHBondContact O-CB 3.16Å; K692-Q696 VanDerWaalsContact O-CG 3.28Å; K692-Q696 WeakPolarHBondContact O-CG 3.36Å; K692-Q696 PolarHBondContact O-N 3.36Å
693G88.6Confident85.6Confident7 Ų764.2 Ų64.27%0.07231%0.311CS..Hα-helixtrans-58.6-48.5176.700000111.6C689 L690 Q695 Q696 H697C689-G693 PolarHBondContact O-N 3.31Å; L690-G693 PolarHBondContact O-N 3.12Å; G693-Q695 PolarHBondContact O-N 3.32Å; G693-Q696 PolarHBondContact O-N 2.66Å; G693-H697 WeakPolarHBondContact O-CB 3.34Å; G693-H697 PolarHBondContact O-N 3.02Å
694M87.7Confident84.3Confident1 Ų166.9 Ų66.91%0.00533%0.328CS..Hα-helixtrans-59.7-45175.6-68.3-61.1-6400112L690 Q696 H697 F698 F718 L721 I722 I725 A737 M738L690-M694 WeakPolarHBondContact O-CG 3.33Å; L690-M694 PolarHBondContact O-N 3.16Å; M694-Q696 PolarHBondContact O-N 2.77Å; M694-H697 PolarHBondContact O-N 3.13Å; M694-F698 HydrophobicContact CB-CE2 4.29Å; M694-F698 HydrophobicContact CE-CE1 4.36Å; M694-F698 HydrophobicContact CE-CE2 3.89Å; M694-F698 HydrophobicContact CE-CZ 3.51Å; M694-F698 WeakPolarHBondContact O-CD2 3.35Å; M694-F698 WeakPolarHBondContact O-CG 3.42Å; M694-F698 PolarHBondContact O-N 3.12Å; M694-F718 HydrophobicContact CE-CD2 4.02Å; M694-F718 HydrophobicContact CE-CE2 3.67Å; M694-F718 HydrophobicContact SD-CD2 4.44Å; M694-L721 HydrophobicContact CG-CB 4.49Å; M694-L721 HydrophobicContact CG-CD1 4.41Å; M694-L721 HydrophobicContact SD-CB 3.6Å; M694-L721 VanDerWaalsContact SD-CB 3.6Å; M694-L721 HydrophobicContact SD-CD1 3.87Å; M694-L721 HydrophobicContact SD-CG 4.35Å; M694-I722 HydrophobicContact CE-CD1 4.17Å; M694-I725 HydrophobicContact CG-CD1 3.92Å; M694-I725 HydrophobicContact SD-CD1 4.16Å; M694-A737 HydrophobicContact CE-CB 4.45Å; M694-A737 HydrophobicContact CG-CB 4.12Å; M694-M738 HydrophobicContact CE-CE 3.29Å
695Q85.1Confident83.3Confident63 Ų6364.8 Ų64.829%0.29433%0.327SS..Hα-helixtrans-65.6-38.2177.5-73.1173.82400113S691 K692 G693 F698 R699 K740S691-Q695 WeakPolarHBondContact O-CB 3.3Å; S691-Q695 WeakPolarHBondContact O-CG 3.28Å; S691-Q695 PolarHBondContact O-N 3.27Å; S691-Q695 VanDerWaalsContact O-N 3.1Å; K692-Q695 PolarHBondContact O-N 3.06Å; G693-Q695 PolarHBondContact O-N 3.32Å; Q695-F698 PolarHBondContact O-N 3.46Å; Q695-R699 WeakPolarHBondContact O-CB 3.49Å; Q695-R699 WeakPolarHBondContact O-CG 3.35Å; Q695-R699 PolarHBondContact O-N 3.26Å; Q695-K740 HydrophobicContact CG-CD 4.34Å
696Q84.4Confident81.6Confident78 Ų7871.8 Ų71.836%0.36436%0.36SS..Hα-helixtrans-65.8-42.1175.9-76.7173.7-42.400110.8L613 K692 G693 M694 R699 S700L613-Q696 HydrophobicContact CD1-CB 4.45Å; K692-Q696 HydrophobicContact CG-CG 4.37Å; K692-Q696 WeakPolarHBondContact O-CB 3.16Å; K692-Q696 VanDerWaalsContact O-CG 3.28Å; K692-Q696 WeakPolarHBondContact O-CG 3.36Å; K692-Q696 PolarHBondContact O-N 3.36Å; G693-Q696 PolarHBondContact O-N 2.66Å; M694-Q696 PolarHBondContact O-N 2.77Å; Q696-R699 PolarHBondContact O-N 3.37Å; Q696-S700 PolarHBondContact O-N 3.28Å; Q696-S700 VanDerWaalsContact O-N 3.08Å
697H83.6Confident80Confident14 Ų1476 Ų767%0.06540%0.403CS..Hα-helixtrans-61.3-45.7174.9-172.278.7000111.6G693 M694 R699 S700 M712 M715 F718G693-H697 WeakPolarHBondContact O-CB 3.34Å; G693-H697 PolarHBondContact O-N 3.02Å; M694-H697 PolarHBondContact O-N 3.13Å; H697-R699 VanDerWaalsContact C-N 3.29Å; H697-R699 PolarHBondContact O-N 2.98Å; H697-S700 PolarHBondContact O-N 2.91Å; H697-S700 PolarHBondContact O-OG 3.45Å; H697-M712 WeakPolarHBondContact CD2-CE 3.43Å; H697-M712 WeakPolarHBondContact NE2-CE 3.34Å; H697-M715 PolarHBondContact CE1-N 2.92Å; H697-F718 AromaticContact CD2-CD2 3.7Å; H697-F718 AromaticContact NE2-CD2 3.96Å
698F81.2Confident78.6Confident29 Ų2979.8 Ų79.813%0.12742%0.421CS..Hα-helixtrans-67.7-29.5177-61.1-41.5000113.7M694 Q695 S700 I701 M712 F718 A737 M738 L741M694-F698 HydrophobicContact CB-CE2 4.29Å; M694-F698 HydrophobicContact CE-CE1 4.36Å; M694-F698 HydrophobicContact CE-CE2 3.89Å; M694-F698 HydrophobicContact CE-CZ 3.51Å; M694-F698 WeakPolarHBondContact O-CD2 3.35Å; M694-F698 WeakPolarHBondContact O-CG 3.42Å; M694-F698 PolarHBondContact O-N 3.12Å; Q695-F698 PolarHBondContact O-N 3.46Å; F698-S700 VanDerWaalsContact C-N 3.32Å; F698-I701 HydrophobicContact CD1-CD1 3.98Å; F698-I701 PolarHBondContact O-N 3.16Å; F698-M712 HydrophobicContact CD1-CE 4.07Å; F698-M712 HydrophobicContact CD1-SD 4.1Å; F698-M712 HydrophobicContact CE1-CE 3.82Å; F698-M712 HydrophobicContact CE1-SD 3.89Å; F698-F718 HydrophobicContact CE1-CD2 4.44Å; F698-F718 AromaticContact CE1-CE2 3.97Å; F698-F718 HydrophobicContact CE1-CE2 3.97Å; F698-F718 HydrophobicContact CZ-CE2 4.18Å; F698-A737 WeakPolarHBondContact CE2-O 3.35Å; F698-M738 HydrophobicContact CZ-CE 3.99Å; F698-L741 HydrophobicContact CD1-CD1 3.88Å; F698-L741 HydrophobicContact CE1-CB 4.26Å; F698-L741 HydrophobicContact CE1-CD1 3.59Å; F698-L741 HydrophobicContact CE1-CD2 4.04Å; F698-L741 HydrophobicContact CE1-CG 4.17Å; F698-L741 HydrophobicContact CE2-CB 4.3Å; F698-L741 HydrophobicContact CZ-CB 3.92Å; F698-L741 HydrophobicContact CZ-CD1 4.14Å; F698-L741 HydrophobicContact CZ-CD2 4.11Å; F698-L741 HydrophobicContact CZ-CG 4.28Å
699R78.7Confident77.5Confident197 Ų19779.8 Ų79.874%0.74342%0.421SS*.Hα-helixtrans-73.5-21.3175-76172.9-178.1176.71.8113.5Q695 Q696 H697 I701Q695-R699 WeakPolarHBondContact O-CB 3.49Å; Q695-R699 WeakPolarHBondContact O-CG 3.35Å; Q695-R699 PolarHBondContact O-N 3.26Å; Q696-R699 PolarHBondContact O-N 3.37Å; H697-R699 VanDerWaalsContact C-N 3.29Å; H697-R699 PolarHBondContact O-N 2.98Å; R699-I701 VanDerWaalsContact C-N 3.26Å
700S77Confident76.6Confident67 Ų6781.5 Ų81.547%0.46943%0.426SS..Hα-helixtrans-79-12.3175.967.40000112.7Q696 H697 F698Q696-S700 PolarHBondContact O-N 3.28Å; Q696-S700 VanDerWaalsContact O-N 3.08Å; H697-S700 PolarHBondContact O-N 2.91Å; H697-S700 PolarHBondContact O-OG 3.45Å; F698-S700 VanDerWaalsContact C-N 3.32Å
701I73.8Confident75.9Confident35 Ų3584 Ų8418%0.17944%0.443CS..SBendtrans-74.7125.6177.1-54.5167.5000109.5F698 R699 M712F698-I701 HydrophobicContact CD1-CD1 3.98Å; F698-I701 PolarHBondContact O-N 3.16Å; R699-I701 VanDerWaalsContact C-N 3.26Å; I701-M712 HydrophobicContact CD1-CB 4.09Å; I701-M712 HydrophobicContact CD1-CE 3.94Å; I701-M712 HydrophobicContact CD1-CG 3.49Å; I701-M712 VanDerWaalsContact CD1-CG 3.49Å; I701-M712 HydrophobicContact CD1-SD 3.56Å; I701-M712 VanDerWaalsContact CD1-SD 3.56Å; I701-M712 HydrophobicContact CG1-CG 4.32Å
702P69.5Low75.5Confident108 Ų10882.6 Ų82.670%0.70143%0.433SS*.PPolyproline II helixtrans-58.2151.1174.3-2333.4000112.7
703Q68.8Low75.2Confident182 Ų18281.4 Ų81.485%0.8543%0.429SS*.PPolyproline II helixtrans-67.3142170.8-70.7-170.5-12.700110.2
704P66.6Low74.6Confident64 Ų6481.1 Ų81.142%0.41643%0.426SS..PPolyproline II helixtrans-63.6142.6177.327.9-34.4000110.7K710P704-K710 HydrophobicContact CB-CB 4.18Å; P704-K710 HydrophobicContact CB-CG 4.44Å; P704-K710 HydrophobicContact CG-CB 4.14Å; P704-K710 HydrophobicContact CG-CD 4.15Å; P704-K710 HydrophobicContact CG-CG 4.21Å
705V71.3Confident73.9Confident95 Ų9584.3 Ų84.358%0.57644%0.442SS*.PPolyproline II helixtrans-70.7149.8171.2-174.20000108.9G707 E708V705-G707 PolarHBondContact O-N 3.48Å; V705-G707 VanDerWaalsContact O-N 3.17Å; V705-E708 HydrophobicContact CB-CB 4.49Å; V705-E708 HydrophobicContact CB-CG 4.18Å; V705-E708 PolarHBondContact O-N 3.41Å
706Q56.7Low73.6Confident198 Ų19885.8 Ų85.893%0.92546%0.457SS*.THydrogen-bonded Turntrans-54.5123.6176.1-86.1-171.8-15.400110.8
707G59.7Low73.5Confident89 Ų8985 Ų8592%0.91845%0.453SS*.THydrogen-bonded Turntrans93-12.8-177.700000114.9V705V705-G707 PolarHBondContact O-N 3.48Å; V705-G707 VanDerWaalsContact O-N 3.17Å
708E64.2Low73.6Confident129 Ų12984.3 Ų84.360%0.60345%0.45SS*.  trans-90.7137.7176-68.1-169.8160.400112.2V705V705-E708 HydrophobicContact CB-CB 4.49Å; V705-E708 HydrophobicContact CB-CG 4.18Å; V705-E708 PolarHBondContact O-N 3.41Å
709K67.3Low74Confident143 Ų14383.4 Ų83.462%0.62245%0.447SS*.  trans-66135169.4-64.7-173.9168.5-160.40109.4S711 E744K709-S711 PolarHBondContact O-N 2.84Å; K709-E744 WeakPolarHBondContact CD-OE2 3.11Å; K709-E744 VanDerWaalsContact CG-OE2 3.24Å; K709-E744 WeakPolarHBondContact CG-OE2 3.4Å; K709-E744 IonicContact NZ-OE2 3.8Å
710K73.8Confident74.6Confident61 Ų6175 Ų7527%0.26542%0.415SS..  trans-6897.1176.5-168.6168.6171.5-157.50109.9P704 E742 E744P704-K710 HydrophobicContact CB-CB 4.18Å; P704-K710 HydrophobicContact CB-CG 4.44Å; P704-K710 HydrophobicContact CG-CB 4.14Å; P704-K710 HydrophobicContact CG-CD 4.15Å; P704-K710 HydrophobicContact CG-CG 4.21Å; K710-E742 WeakPolarHBondContact CD-O 3.23Å; K710-E742 WeakPolarHBondContact CE-O 3.27Å; K710-E742 PolarHBondContact NZ-O 3.36Å; K710-E742 IonicContact NZ-OE2 2.66Å; K710-E744 PolarHBondContact O-N 3.47Å
711S77.7Confident75.3Confident52 Ų5272 Ų7236%0.36439%0.394SS..EExtended strand (participates in β ladder)trans-98.6132.9173800000110.2K709 H745K709-S711 PolarHBondContact O-N 2.84Å; S711-H745 CarbonylContact C-O 3.6Å; S711-H745 WeakPolarHBondContact CA-O 3.35Å
712M81.9Confident76.3Confident2 Ų270.4 Ų70.41%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-105.8124.1176.8169.2179.7175.700108.4H697 F698 I701 F718 L741 A743 H745 L746 K747H697-M712 WeakPolarHBondContact CD2-CE 3.43Å; H697-M712 WeakPolarHBondContact NE2-CE 3.34Å; F698-M712 HydrophobicContact CD1-CE 4.07Å; F698-M712 HydrophobicContact CD1-SD 4.1Å; F698-M712 HydrophobicContact CE1-CE 3.82Å; F698-M712 HydrophobicContact CE1-SD 3.89Å; I701-M712 HydrophobicContact CD1-CB 4.09Å; I701-M712 HydrophobicContact CD1-CE 3.94Å; I701-M712 HydrophobicContact CD1-CG 3.49Å; I701-M712 VanDerWaalsContact CD1-CG 3.49Å; I701-M712 HydrophobicContact CD1-SD 3.56Å; I701-M712 VanDerWaalsContact CD1-SD 3.56Å; I701-M712 HydrophobicContact CG1-CG 4.32Å; M712-F718 HydrophobicContact CE-CD2 3.69Å; M712-F718 HydrophobicContact CE-CE2 3.81Å; M712-F718 HydrophobicContact CE-CG 4.12Å; M712-F718 HydrophobicContact CE-CZ 4.35Å; M712-L741 HydrophobicContact SD-CD1 3.77Å; M712-L741 HydrophobicContact SD-CD2 4.48Å; M712-A743 HydrophobicContact CB-CB 4.12Å; M712-H745 PolarHBondContact N-O 3.04Å; M712-L746 HydrophobicContact CB-CD1 4.24Å; M712-L746 HydrophobicContact CE-CD1 4.18Å; M712-L746 HydrophobicContact CG-CD1 3.92Å; M712-L746 HydrophobicContact SD-CD1 3.66Å; M712-K747 PolarHBondContact O-N 3.37Å
713H80.8Confident77.4Confident96 Ų9668 Ų6844%0.44436%0.364SS..EExtended strand (participates in β ladder)trans-89.7116164.2-169.840000108.7M715 K747H713-M715 HydrophobicContact CB-CE 4.32Å; H713-M715 WeakPolarHBondContact CD2-CE 3.28Å; H713-K747 PolarHBondContact ND1-O 2.99Å; H713-K747 VanDerWaalsContact ND1-O 3.12Å
714A76.3Confident78.7Confident1 Ų159.4 Ų59.41%0.00832%0.324CS..PPolyproline II helixtrans-74.4129.3177.800000109.5F718 L746 K747 L748A714-F718 HydrophobicContact CB-CB 4.25Å; A714-F718 HydrophobicContact CB-CD1 3.59Å; A714-F718 HydrophobicContact CB-CE1 4.21Å; A714-F718 HydrophobicContact CB-CG 4.11Å; A714-L746 HydrophobicContact CB-CD1 4.33Å; A714-K747 PolarHBondContact N-O 3.41Å; A714-L748 HydrophobicContact CB-CD2 3.26Å; A714-L748 HydrophobicContact CB-CG 3.79Å
715M74.3Confident80.1Confident67 Ų6756.3 Ų56.333%0.3330%0.304SS..PPolyproline II helixtrans-85.1158.9172.1-56.3-72.288.400109.8H697 H713 E717 F718H697-M715 PolarHBondContact CE1-N 2.92Å; H713-M715 HydrophobicContact CB-CE 4.32Å; H713-M715 WeakPolarHBondContact CD2-CE 3.28Å; M715-E717 WeakPolarHBondContact CB-OE2 3.29Å; M715-E717 PolarHBondContact O-N 2.93Å; M715-F718 VanDerWaalsContact O-CB 3.26Å; M715-F718 WeakPolarHBondContact O-CB 3.32Å; M715-F718 PolarHBondContact O-N 3Å
716P78.2Confident81.2Confident94 Ų9452.4 Ų52.461%0.6128%0.279SS*.Hα-helixtrans-49.5-35.4176.6-29.436.6000113.7F718 V719 W720P716-F718 VanDerWaalsContact C-N 3.27Å; P716-F718 PolarHBondContact O-N 2.84Å; P716-V719 PolarHBondContact O-N 3.13Å; P716-W720 PolarHBondContact O-N 3.03Å; P716-W720 VanDerWaalsContact O-N 3.14Å
717E81.3Confident83.1Confident61 Ų6143.3 Ų43.329%0.28524%0.236SC..Hα-helixtrans-64.9-30.2177.6-53.394.8171.800113.2L613 M715 W720 L721L613-E717 HydrophobicContact CD2-CG 4.49Å; M715-E717 WeakPolarHBondContact CB-OE2 3.29Å; M715-E717 PolarHBondContact O-N 2.93Å; E717-W720 PolarHBondContact O-N 3.46Å; E717-L721 WeakPolarHBondContact O-CB 3.48Å; E717-L721 VanDerWaalsContact O-CG 3.28Å; E717-L721 WeakPolarHBondContact O-CG 3.31Å; E717-L721 PolarHBondContact O-N 3.16Å
718F87.3Confident84.8Confident0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-62.5-46.6175.2173.3-96.7000110.7M694 H697 F698 M712 A714 M715 P716 W720 L721 I722 L746 L748 L761M694-F718 HydrophobicContact CE-CD2 4.02Å; M694-F718 HydrophobicContact CE-CE2 3.67Å; M694-F718 HydrophobicContact SD-CD2 4.44Å; H697-F718 AromaticContact CD2-CD2 3.7Å; H697-F718 AromaticContact NE2-CD2 3.96Å; F698-F718 HydrophobicContact CE1-CD2 4.44Å; F698-F718 AromaticContact CE1-CE2 3.97Å; F698-F718 HydrophobicContact CE1-CE2 3.97Å; F698-F718 HydrophobicContact CZ-CE2 4.18Å; M712-F718 HydrophobicContact CE-CD2 3.69Å; M712-F718 HydrophobicContact CE-CE2 3.81Å; M712-F718 HydrophobicContact CE-CG 4.12Å; M712-F718 HydrophobicContact CE-CZ 4.35Å; A714-F718 HydrophobicContact CB-CB 4.25Å; A714-F718 HydrophobicContact CB-CD1 3.59Å; A714-F718 HydrophobicContact CB-CE1 4.21Å; A714-F718 HydrophobicContact CB-CG 4.11Å; M715-F718 VanDerWaalsContact O-CB 3.26Å; M715-F718 WeakPolarHBondContact O-CB 3.32Å; M715-F718 PolarHBondContact O-N 3Å; P716-F718 VanDerWaalsContact C-N 3.27Å; P716-F718 PolarHBondContact O-N 2.84Å; F718-W720 VanDerWaalsContact C-N 3.31Å; F718-W720 PolarHBondContact O-N 3.09Å; F718-L721 PolarHBondContact O-N 2.9Å; F718-I722 HydrophobicContact CD1-CG1 4.17Å; F718-I722 HydrophobicContact CD2-CG1 4.49Å; F718-I722 HydrophobicContact CE1-CD1 4.37Å; F718-I722 HydrophobicContact CE1-CG1 3.84Å; F718-I722 HydrophobicContact CE2-CD1 4.18Å; F718-I722 HydrophobicContact CE2-CG1 4.19Å; F718-I722 HydrophobicContact CZ-CD1 3.9Å; F718-I722 HydrophobicContact CZ-CG1 3.85Å; F718-I722 VanDerWaalsContact O-CG1 3.22Å; F718-I722 WeakPolarHBondContact O-CG1 3.31Å; F718-I722 PolarHBondContact O-N 3.45Å; F718-L746 HydrophobicContact CE1-CD1 4.41Å; F718-L746 HydrophobicContact CE1-CD2 4.39Å; F718-L746 HydrophobicContact CZ-CD1 4.45Å; F718-L746 HydrophobicContact CZ-CD2 4.48Å; F718-L748 HydrophobicContact CD1-CD2 4.11Å; F718-L748 HydrophobicContact CE1-CD2 4.23Å; F718-L761 HydrophobicContact CE1-CD2 4.41Å
719V88.9Confident86.2Confident10 Ų1036 Ų366%0.06118%0.179CC..Hα-helixtrans-62.1-43179-178.20000110.2P716 I722 K723 L748 C751 E757P716-V719 PolarHBondContact O-N 3.13Å; V719-I722 WeakPolarHBondContact O-CB 3.45Å; V719-I722 PolarHBondContact O-N 3.33Å; V719-K723 WeakPolarHBondContact O-CG 3.46Å; V719-K723 PolarHBondContact O-N 2.92Å; V719-L748 HydrophobicContact CG2-CD2 3.71Å; V719-C751 HydrophobicContact CG2-CB 4.22Å; V719-E757 HydrophobicContact CG1-CG 4.14Å
720W90.8Very high87.4Confident20 Ų2030 Ų308%0.07615%0.153CC..Hα-helixtrans-62.1-43.8175167.669.7000113.3F611 Q652 A655 T656 P716 E717 F718 I722 K723 C724F611-W720 AromaticContact CD1-CH2 3.75Å; F611-W720 HydrophobicContact CD1-CH2 3.75Å; F611-W720 HydrophobicContact CD1-CZ2 4.02Å; F611-W720 HydrophobicContact CE1-CH2 4.37Å; F611-W720 HydrophobicContact CE1-CZ2 4.23Å; Q652-W720 HydrophobicContact CB-CD2 4.41Å; Q652-W720 HydrophobicContact CB-CG 4.21Å; Q652-W720 HydrophobicContact CG-CD2 3.9Å; Q652-W720 HydrophobicContact CG-CG 4Å; Q652-W720 HydrophobicContact CG-CZ2 4.21Å; Q652-W720 PolarHBondContact O-NE1 2.97Å; A655-W720 HydrophobicContact CB-CZ2 3.62Å; T656-W720 PolarHBondContact OG1-NE1 2.9Å; P716-W720 PolarHBondContact O-N 3.03Å; P716-W720 VanDerWaalsContact O-N 3.14Å; E717-W720 PolarHBondContact O-N 3.46Å; F718-W720 VanDerWaalsContact C-N 3.31Å; F718-W720 PolarHBondContact O-N 3.09Å; W720-I722 VanDerWaalsContact C-N 3.31Å; W720-I722 PolarHBondContact O-N 3.39Å; W720-K723 WeakPolarHBondContact O-CB 3.45Å; W720-K723 PolarHBondContact O-N 3.42Å; W720-K723 VanDerWaalsContact O-N 3.17Å; W720-C724 PolarHBondContact NE1-SG 3.42Å; W720-C724 PolarHBondContact O-N 3.41Å
721L92.5Very high88.3Confident4 Ų429.9 Ų29.92%0.02116%0.16CC..Hα-helixtrans-62.3-38.8175.9-73169.3000112L690 M694 E717 F718 C724 I725L690-L721 HydrophobicContact CD2-CD2 3.95Å; M694-L721 HydrophobicContact CG-CB 4.49Å; M694-L721 HydrophobicContact CG-CD1 4.41Å; M694-L721 HydrophobicContact SD-CB 3.6Å; M694-L721 VanDerWaalsContact SD-CB 3.6Å; M694-L721 HydrophobicContact SD-CD1 3.87Å; M694-L721 HydrophobicContact SD-CG 4.35Å; E717-L721 WeakPolarHBondContact O-CB 3.48Å; E717-L721 VanDerWaalsContact O-CG 3.28Å; E717-L721 WeakPolarHBondContact O-CG 3.31Å; E717-L721 PolarHBondContact O-N 3.16Å; F718-L721 PolarHBondContact O-N 2.9Å; L721-C724 PolarHBondContact O-N 3.06Å; L721-I725 WeakPolarHBondContact O-CG1 2.94Å; L721-I725 PolarHBondContact O-N 2.92Å
722I93.4Very high89.1Confident2 Ų236.8 Ų36.81%0.0118%0.178CC..Hα-helixtrans-61.9-43.6173.9-67.3-69000110.7M694 F718 V719 W720 C724 I725 Y726 M738 A760 L761 V764M694-I722 HydrophobicContact CE-CD1 4.17Å; F718-I722 HydrophobicContact CD1-CG1 4.17Å; F718-I722 HydrophobicContact CD2-CG1 4.49Å; F718-I722 HydrophobicContact CE1-CD1 4.37Å; F718-I722 HydrophobicContact CE1-CG1 3.84Å; F718-I722 HydrophobicContact CE2-CD1 4.18Å; F718-I722 HydrophobicContact CE2-CG1 4.19Å; F718-I722 HydrophobicContact CZ-CD1 3.9Å; F718-I722 HydrophobicContact CZ-CG1 3.85Å; F718-I722 VanDerWaalsContact O-CG1 3.22Å; F718-I722 WeakPolarHBondContact O-CG1 3.31Å; F718-I722 PolarHBondContact O-N 3.45Å; V719-I722 WeakPolarHBondContact O-CB 3.45Å; V719-I722 PolarHBondContact O-N 3.33Å; W720-I722 VanDerWaalsContact C-N 3.31Å; W720-I722 PolarHBondContact O-N 3.39Å; I722-C724 PolarHBondContact O-N 2.83Å; I722-I725 PolarHBondContact O-N 2.77Å; I722-Y726 WeakPolarHBondContact O-CB 3.14Å; I722-Y726 PolarHBondContact O-N 3.13Å; I722-M738 HydrophobicContact CD1-CE 4.11Å; I722-A760 HydrophobicContact CG2-CB 4.01Å; I722-A760 WeakPolarHBondContact CG2-O 3.18Å; I722-L761 HydrophobicContact CG2-CD2 4.23Å; I722-L761 HydrophobicContact CG2-CG 4.45Å; I722-V764 HydrophobicContact CD1-CB 3.71Å; I722-V764 HydrophobicContact CD1-CG1 3.44Å; I722-V764 VanDerWaalsContact CD1-CG1 3.44Å; I722-V764 HydrophobicContact CD1-CG2 3.94Å; I722-V764 HydrophobicContact CG2-CB 4.33Å; I722-V764 HydrophobicContact CG2-CG2 3.98Å
723K93.5Very high89.7Confident59 Ų5937 Ų3726%0.25718%0.18SC..Hα-helixtrans-58.9-45.9173.6-69.5178.1-179.7-172.60111.9V719 W720 I725 Y726 E727 E757 A760V719-K723 WeakPolarHBondContact O-CG 3.46Å; V719-K723 PolarHBondContact O-N 2.92Å; W720-K723 WeakPolarHBondContact O-CB 3.45Å; W720-K723 PolarHBondContact O-N 3.42Å; W720-K723 VanDerWaalsContact O-N 3.17Å; K723-I725 PolarHBondContact O-N 2.83Å; K723-Y726 WeakPolarHBondContact O-CB 3.24Å; K723-Y726 PolarHBondContact O-N 3.5Å; K723-E727 PolarHBondContact O-N 3.33Å; K723-E757 VanDerWaalsContact CE-CG 3.42Å; K723-E757 WeakPolarHBondContact CE-OE1 3.48Å; K723-E757 IonicContact NZ-OE1 2.68Å; K723-E757 PolarHBondContact NZ-OE1 2.9Å; K723-A760 HydrophobicContact CG-CB 4.47Å
724C95.8Very high90.3Very high0 Ų032.5 Ų32.50%016%0.158CC..Hα-helixtrans-62.1-42177.7-71.20000112.7S659 L690 W720 L721 I722 Y726 E727 M728S659-C724 VanDerWaalsContact CB-O 3.25Å; S659-C724 WeakPolarHBondContact CB-O 3.43Å; S659-C724 WeakPolarHBondContact OG-CB 3.27Å; L690-C724 HydrophobicContact CD1-CB 4.39Å; L690-C724 HydrophobicContact CD2-CB 3.47Å; L690-C724 VanDerWaalsContact CD2-CB 3.47Å; W720-C724 PolarHBondContact NE1-SG 3.42Å; W720-C724 PolarHBondContact O-N 3.41Å; L721-C724 PolarHBondContact O-N 3.06Å; I722-C724 PolarHBondContact O-N 2.83Å; C724-Y726 VanDerWaalsContact C-N 3.33Å; C724-E727 PolarHBondContact O-N 2.9Å; C724-M728 WeakPolarHBondContact O-CB 3.43Å; C724-M728 PolarHBondContact O-N 3.47Å
725I95.6Very high91.2Very high0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-64.1-40.9175.7-68.5165.1000110.7L690 M694 L721 I722 K723 M728 Q729 L733 A734 A737 Y763 V764L690-I725 HydrophobicContact CB-CG1 4.46Å; L690-I725 HydrophobicContact CD1-CG1 4.31Å; M694-I725 HydrophobicContact CG-CD1 3.92Å; M694-I725 HydrophobicContact SD-CD1 4.16Å; L721-I725 WeakPolarHBondContact O-CG1 2.94Å; L721-I725 PolarHBondContact O-N 2.92Å; I722-I725 PolarHBondContact O-N 2.77Å; K723-I725 PolarHBondContact O-N 2.83Å; I725-M728 PolarHBondContact O-N 2.94Å; I725-Q729 PolarHBondContact O-N 3.4Å; I725-L733 HydrophobicContact CG1-CD2 4.22Å; I725-L733 HydrophobicContact CG1-CG 4.46Å; I725-A734 HydrophobicContact CG2-CB 3.7Å; I725-A737 HydrophobicContact CD1-CB 3.84Å; I725-Y763 HydrophobicContact CG2-CE1 4.49Å; I725-V764 HydrophobicContact CB-CG2 4.16Å; I725-V764 HydrophobicContact CG2-CG2 3.73Å
726Y95.6Very high92Very high12 Ų1240 Ų405%0.04719%0.194CC..Hα-helixtrans-60.9-51.2174171.9-106.3000111.4Q492 T493 I722 K723 C724 M728 Q729 T759 A760 Y763Q492-Y726 PolarHBondContact O-OH 3.05Å; T493-Y726 HydrophobicContact CG2-CE1 4.17Å; I722-Y726 WeakPolarHBondContact O-CB 3.14Å; I722-Y726 PolarHBondContact O-N 3.13Å; K723-Y726 WeakPolarHBondContact O-CB 3.24Å; K723-Y726 PolarHBondContact O-N 3.5Å; C724-Y726 VanDerWaalsContact C-N 3.33Å; Y726-M728 VanDerWaalsContact C-N 3.25Å; Y726-M728 PolarHBondContact O-N 2.91Å; Y726-Q729 VanDerWaalsContact CD2-NE2 3.29Å; Y726-Q729 VanDerWaalsContact O-CD 3.29Å; Y726-Q729 VanDerWaalsContact O-CG 3.28Å; Y726-Q729 WeakPolarHBondContact O-CG 3.47Å; Y726-Q729 PolarHBondContact O-N 3.45Å; Y726-Q729 PolarHBondContact O-NE2 3.08Å; Y726-T759 HydrophobicContact CE2-CG2 3.71Å; Y726-T759 WeakPolarHBondContact OH-CG2 3.43Å; Y726-A760 HydrophobicContact CD1-CB 4.03Å; Y726-A760 HydrophobicContact CD2-CB 4.4Å; Y726-A760 HydrophobicContact CG-CB 3.74Å; Y726-Y763 HydrophobicContact CD2-CD1 4.19Å; Y726-Y763 HydrophobicContact CD2-CD2 4.23Å; Y726-Y763 AromaticContact CD2-CG 3.77Å; Y726-Y763 HydrophobicContact CD2-CG 3.77Å; Y726-Y763 HydrophobicContact CE2-CG 4.47Å
727E96.1Very high92.5Very high7 Ų735.8 Ų35.83%0.03317%0.167CC..Hα-helixtrans-57.7-39.4177.9-75.1-62139.900112.2T493 I494 T495 T656 G660 K723 C724 Q729T493-E727 VanDerWaalsContact CB-CD 3.46Å; T493-E727 VanDerWaalsContact CB-OE1 3.28Å; T493-E727 WeakPolarHBondContact CB-OE1 3.26Å; T493-E727 WeakPolarHBondContact CB-OE2 3.37Å; T493-E727 PolarHBondContact OG1-OE2 3.16Å; I494-E727 HydrophobicContact CG2-CG 4.48Å; I494-E727 WeakPolarHBondContact CG2-OE1 3.34Å; I494-E727 PolarHBondContact N-OE1 3.26Å; T495-E727 WeakPolarHBondContact CB-OE2 3.25Å; T495-E727 PolarHBondContact N-OE2 2.63Å; T495-E727 VanDerWaalsContact N-OE2 3.09Å; T495-E727 PolarHBondContact OG1-OE2 3.38Å; T656-E727 HydrophobicContact CG2-CB 4.5Å; T656-E727 HydrophobicContact CG2-CG 3.54Å; G660-E727 WeakPolarHBondContact CA-O 3.3Å; K723-E727 PolarHBondContact O-N 3.33Å; C724-E727 PolarHBondContact O-N 2.9Å; E727-Q729 PolarHBondContact O-N 3.27Å
728M95.2Very high93Very high4 Ų433 Ų332%0.0216%0.155CC..Hα-helixtrans-65.4-19.7178.1-166.7165.1-175.500113.6S659 S663 T683 E687 L690 C724 I725 Y726 N730 L733S659-M728 WeakPolarHBondContact O-CA 3.45Å; S663-M728 WeakPolarHBondContact CB-O 3.48Å; T683-M728 HydrophobicContact CG2-CE 3.6Å; E687-M728 HydrophobicContact CG-CE 3.26Å; E687-M728 HydrophobicContact CG-SD 3.82Å; E687-M728 WeakPolarHBondContact OE1-CE 3.31Å; L690-M728 HydrophobicContact CD1-SD 4.11Å; C724-M728 WeakPolarHBondContact O-CB 3.43Å; C724-M728 PolarHBondContact O-N 3.47Å; I725-M728 PolarHBondContact O-N 2.94Å; Y726-M728 VanDerWaalsContact C-N 3.25Å; Y726-M728 PolarHBondContact O-N 2.91Å; M728-N730 HydrophobicContact CG-CB 4.16Å; M728-N730 PolarHBondContact O-N 3.38Å; M728-L733 HydrophobicContact SD-CD2 3.74Å
729Q93.5Very high93Very high62 Ų6235.7 Ų35.729%0.2917%0.173SC..THydrogen-bonded Turntrans51.230.5179.1-69.8-66.7-44.300113.4T493 I725 Y726 E727 Y763T493-Q729 HydrophobicContact CG2-CG 3.97Å; I725-Q729 PolarHBondContact O-N 3.4Å; Y726-Q729 VanDerWaalsContact CD2-NE2 3.29Å; Y726-Q729 VanDerWaalsContact O-CD 3.29Å; Y726-Q729 VanDerWaalsContact O-CG 3.28Å; Y726-Q729 WeakPolarHBondContact O-CG 3.47Å; Y726-Q729 PolarHBondContact O-N 3.45Å; Y726-Q729 PolarHBondContact O-NE2 3.08Å; E727-Q729 PolarHBondContact O-N 3.27Å; Q729-Y763 WeakPolarHBondContact CA-OH 3.32Å; Q729-Y763 PolarHBondContact O-OH 3.38Å
730N93.5Very high92.5Very high15 Ų1540.9 Ų40.98%0.0820%0.195CC..  trans-99.699.3178.1-174.6-16.9000111.1E687 M728 R732 L733 A734 Y763E687-N730 PolarHBondContact OE1-ND2 3.35Å; M728-N730 HydrophobicContact CG-CB 4.16Å; M728-N730 PolarHBondContact O-N 3.38Å; N730-R732 VanDerWaalsContact C-N 3.26Å; N730-R732 PolarHBondContact O-N 3.38Å; N730-R732 WeakPolarHBondContact OD1-CB 3.46Å; N730-R732 PolarHBondContact OD1-N 3.35Å; N730-L733 HydrophobicContact CB-CB 3.96Å; N730-L733 WeakPolarHBondContact O-CB 3.49Å; N730-L733 PolarHBondContact O-N 3.04Å; N730-L733 VanDerWaalsContact O-N 3.14Å; N730-L733 PolarHBondContact OD1-N 2.92Å; N730-A734 PolarHBondContact O-N 3.01Å; N730-Y763 PolarHBondContact N-OH 3.19Å
731S93Very high92Very high60 Ų6040.9 Ų40.942%0.4220%0.196SC..Hα-helixtrans-63.1-28.7-179.61790000113.4A734 K735 Y763 H767S731-A734 PolarHBondContact O-N 3.47Å; S731-K735 VanDerWaalsContact O-CB 3.28Å; S731-K735 WeakPolarHBondContact O-CB 3.29Å; S731-K735 PolarHBondContact O-N 3.47Å; S731-Y763 PolarHBondContact N-OH 2.95Å; S731-Y763 VanDerWaalsContact N-OH 3.16Å; S731-H767 PolarHBondContact OG-CE1 2.89Å; S731-H767 PolarHBondContact OG-NE2 3.09Å; S731-H767 VanDerWaalsContact OG-NE2 3.16Å
732R94.1Very high91.3Very high196 Ų19647 Ų4774%0.7423%0.225SC*.Hα-helixtrans-66.9-45.8174.9-62.5-178.4-176.3173.11.8110.5N730 A734 K735 D736N730-R732 VanDerWaalsContact C-N 3.26Å; N730-R732 PolarHBondContact O-N 3.38Å; N730-R732 WeakPolarHBondContact OD1-CB 3.46Å; N730-R732 PolarHBondContact OD1-N 3.35Å; R732-A734 PolarHBondContact O-N 3.07Å; R732-K735 PolarHBondContact O-N 3.23Å; R732-D736 WeakPolarHBondContact O-CB 3.34Å; R732-D736 VanDerWaalsContact O-CG 3.27Å; R732-D736 PolarHBondContact O-N 3.28Å
733L94Very high90.7Very high8 Ų847.6 Ų47.64%0.04223%0.23CC..Hα-helixtrans-61-44.2175.217966.1000111.4E687 L690 S691 I725 M728 N730 K735 D736 A737E687-L733 HydrophobicContact CB-CD1 4.36Å; E687-L733 HydrophobicContact CG-CD2 4.36Å; L690-L733 HydrophobicContact CB-CD2 4.27Å; L690-L733 HydrophobicContact CD1-CD2 3.71Å; S691-L733 VanDerWaalsContact OG-CD1 3.25Å; S691-L733 WeakPolarHBondContact OG-CD1 3.35Å; I725-L733 HydrophobicContact CG1-CD2 4.22Å; I725-L733 HydrophobicContact CG1-CG 4.46Å; M728-L733 HydrophobicContact SD-CD2 3.74Å; N730-L733 HydrophobicContact CB-CB 3.96Å; N730-L733 WeakPolarHBondContact O-CB 3.49Å; N730-L733 PolarHBondContact O-N 3.04Å; N730-L733 VanDerWaalsContact O-N 3.14Å; N730-L733 PolarHBondContact OD1-N 2.92Å; L733-K735 PolarHBondContact O-N 3.14Å; L733-D736 PolarHBondContact O-N 2.98Å; L733-A737 VanDerWaalsContact O-CB 3.25Å; L733-A737 WeakPolarHBondContact O-CB 3.33Å; L733-A737 PolarHBondContact O-N 2.72Å
734A93.9Very high90.3Very high0 Ų049.5 Ų49.50%024%0.24CC..Hα-helixtrans-61.3-44177.400000112I725 N730 S731 R732 A737 M738 Y763 V764I725-A734 HydrophobicContact CG2-CB 3.7Å; N730-A734 PolarHBondContact O-N 3.01Å; S731-A734 PolarHBondContact O-N 3.47Å; R732-A734 PolarHBondContact O-N 3.07Å; A734-A737 PolarHBondContact O-N 3.39Å; A734-M738 PolarHBondContact O-N 2.93Å; A734-Y763 HydrophobicContact CB-CD1 4.4Å; A734-Y763 HydrophobicContact CB-CE1 3.91Å; A734-V764 HydrophobicContact CB-CG2 4.46Å
735K94.1Very high89.9Confident124 Ų12451 Ų5154%0.53925%0.247SC..Hα-helixtrans-62.7-45175-175.1179.2-179178.50112.2S731 R732 L733 A737 M738 S739 H767S731-K735 VanDerWaalsContact O-CB 3.28Å; S731-K735 WeakPolarHBondContact O-CB 3.29Å; S731-K735 PolarHBondContact O-N 3.47Å; R732-K735 PolarHBondContact O-N 3.23Å; L733-K735 PolarHBondContact O-N 3.14Å; K735-A737 VanDerWaalsContact C-N 3.35Å; K735-M738 PolarHBondContact O-N 2.7Å; K735-S739 WeakPolarHBondContact O-CB 3.33Å; K735-S739 PolarHBondContact O-N 3.36Å; K735-H767 HydrophobicContact CB-CB 4.35Å
736D90.9Very high89.7Confident101 Ų10151 Ų5154%0.5425%0.247SC..Hα-helixtrans-66.2-39.3178.8-72.4-13.8000111.4R732 L733 M738 S739R732-D736 WeakPolarHBondContact O-CB 3.34Å; R732-D736 VanDerWaalsContact O-CG 3.27Å; R732-D736 PolarHBondContact O-N 3.28Å; L733-D736 PolarHBondContact O-N 2.98Å; D736-M738 PolarHBondContact O-N 2.84Å; D736-S739 PolarHBondContact O-N 3.27Å; D736-S739 PolarHBondContact O-OG 3.46Å
737A89.8Confident89.5Confident7 Ų754 Ų546%0.05826%0.26CS..Hα-helixtrans-60.1-44.5174.300000111.5M694 F698 I725 L733 A734 K735M694-A737 HydrophobicContact CE-CB 4.45Å; M694-A737 HydrophobicContact CG-CB 4.12Å; F698-A737 WeakPolarHBondContact CE2-O 3.35Å; I725-A737 HydrophobicContact CD1-CB 3.84Å; L733-A737 VanDerWaalsContact O-CB 3.25Å; L733-A737 WeakPolarHBondContact O-CB 3.33Å; L733-A737 PolarHBondContact O-N 2.72Å; A734-A737 PolarHBondContact O-N 3.39Å; K735-A737 VanDerWaalsContact C-N 3.35Å
738M90.5Very high89.3Confident3 Ų353.7 Ų53.72%0.01526%0.258CS..Hα-helixtrans-80.7-17.7179.5-68.3-56.698.800114.4M694 F698 I722 A734 K735 D736 K740 L741 V764 L765 H767 L768M694-M738 HydrophobicContact CE-CE 3.29Å; F698-M738 HydrophobicContact CZ-CE 3.99Å; I722-M738 HydrophobicContact CD1-CE 4.11Å; A734-M738 PolarHBondContact O-N 2.93Å; K735-M738 PolarHBondContact O-N 2.7Å; D736-M738 PolarHBondContact O-N 2.84Å; M738-K740 PolarHBondContact O-N 2.86Å; M738-L741 PolarHBondContact O-N 3.46Å; M738-L741 HydrophobicContact SD-CD2 4.12Å; M738-V764 HydrophobicContact CE-CG1 3.51Å; M738-V764 HydrophobicContact CG-CG1 3.48Å; M738-V764 VanDerWaalsContact CG-CG1 3.48Å; M738-V764 WeakPolarHBondContact CG-O 3.18Å; M738-V764 HydrophobicContact SD-CG1 3.68Å; M738-L765 HydrophobicContact SD-CD2 4.14Å; M738-H767 HydrophobicContact CB-CB 4.37Å; M738-L768 HydrophobicContact CB-CD2 4Å; M738-L768 HydrophobicContact CG-CD2 4.29Å; M738-L768 HydrophobicContact SD-CD2 3.97Å; M738-L768 HydrophobicContact SD-CG 4.38Å
739S87.6Confident88.9Confident55 Ų5554.9 Ų54.939%0.38527%0.266SS..THydrogen-bonded Turntrans-58.1-26.1-173.169.10000115K735 D736K735-S739 WeakPolarHBondContact O-CB 3.33Å; K735-S739 PolarHBondContact O-N 3.36Å; D736-S739 PolarHBondContact O-N 3.27Å; D736-S739 PolarHBondContact O-OG 3.46Å
740K79.9Confident88.3Confident119 Ų11960.2 Ų60.252%0.51729%0.285SS..THydrogen-bonded Turntrans-102-2.6-178.2-63.1179.4-177.4177.20113.2Q695 M738 E742Q695-K740 HydrophobicContact CG-CD 4.34Å; M738-K740 PolarHBondContact O-N 2.86Å; K740-E742 PolarHBondContact O-N 3.33Å
741L80.1Confident87.8Confident20 Ų2060.7 Ų60.711%0.10529%0.289CS..  trans-78.9106.5179.1-178.852.6000109.5F698 M712 M738 A743 L768F698-L741 HydrophobicContact CD1-CD1 3.88Å; F698-L741 HydrophobicContact CE1-CB 4.26Å; F698-L741 HydrophobicContact CE1-CD1 3.59Å; F698-L741 HydrophobicContact CE1-CD2 4.04Å; F698-L741 HydrophobicContact CE1-CG 4.17Å; F698-L741 HydrophobicContact CE2-CB 4.3Å; F698-L741 HydrophobicContact CZ-CB 3.92Å; F698-L741 HydrophobicContact CZ-CD1 4.14Å; F698-L741 HydrophobicContact CZ-CD2 4.11Å; F698-L741 HydrophobicContact CZ-CG 4.28Å; M712-L741 HydrophobicContact SD-CD1 3.77Å; M712-L741 HydrophobicContact SD-CD2 4.48Å; M738-L741 PolarHBondContact O-N 3.46Å; M738-L741 HydrophobicContact SD-CD2 4.12Å; L741-A743 HydrophobicContact CD1-CB 3.73Å; L741-A743 HydrophobicContact CG-CB 4.22Å; L741-L768 HydrophobicContact CB-CD2 3.99Å; L741-L768 HydrophobicContact CD2-CD2 3.9Å; L741-L768 HydrophobicContact CG-CD2 4.12Å
742E77.7Confident87.1Confident134 Ų13460.2 Ų60.263%0.62628%0.282SS*.  trans-105.293.5166.3-67.5172-179.700107.3K710 K740K710-E742 WeakPolarHBondContact CD-O 3.23Å; K710-E742 WeakPolarHBondContact CE-O 3.27Å; K710-E742 PolarHBondContact NZ-O 3.36Å; K710-E742 IonicContact NZ-OE2 2.66Å; K740-E742 PolarHBondContact O-N 3.33Å
743A80.6Confident86.8Confident14 Ų1450.9 Ų50.912%0.11625%0.247CC..  trans-139.7132.3173.100000108.9M712 L741M712-A743 HydrophobicContact CB-CB 4.12Å; L741-A743 HydrophobicContact CD1-CB 3.73Å; L741-A743 HydrophobicContact CG-CB 4.22Å
744E84.4Confident86.4Confident99 Ų9951 Ų5146%0.46325%0.249SC..SBendtrans-84.2-20.2172.1-71.3-175.1-158.400111.5K709 K710 G773K709-E744 WeakPolarHBondContact CD-OE2 3.11Å; K709-E744 VanDerWaalsContact CG-OE2 3.24Å; K709-E744 WeakPolarHBondContact CG-OE2 3.4Å; K709-E744 IonicContact NZ-OE2 3.8Å; K710-E744 PolarHBondContact O-N 3.47Å; E744-G773 PolarHBondContact O-N 3.3Å
745H88.1Confident86.1Confident31 Ų3151.7 Ų51.714%0.14425%0.254CS..EExtended strand (participates in β ladder)trans-146.4125.5-175.5-164.4-75.3000111.4S711 M712 K747 G773 Q775 Y800S711-H745 CarbonylContact C-O 3.6Å; S711-H745 WeakPolarHBondContact CA-O 3.35Å; M712-H745 PolarHBondContact N-O 3.04Å; H745-K747 WeakPolarHBondContact ND1-CG 3.27Å; H745-G773 CarbonylContact C-O 3.24Å; H745-G773 WeakPolarHBondContact CA-O 3.45Å; H745-Q775 VanDerWaalsContact CE1-CB 3.45Å; H745-Q775 WeakPolarHBondContact CE1-CB 3.47Å; H745-Q775 PolarHBondContact CE1-OE1 3.05Å; H745-Y800 AromaticContact NE2-CD2 3.86Å; H745-Y800 AromaticContact NE2-CE2 3.36Å; H745-Y800 WeakPolarHBondContact NE2-CE2 3.23Å
746L90.9Very high85.6Confident1 Ų147.5 Ų47.51%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-109.9111.1179.6-174.963.2000109.6M712 A714 F718 L748 L765 V772 G773 Q775M712-L746 HydrophobicContact CB-CD1 4.24Å; M712-L746 HydrophobicContact CE-CD1 4.18Å; M712-L746 HydrophobicContact CG-CD1 3.92Å; M712-L746 HydrophobicContact SD-CD1 3.66Å; A714-L746 HydrophobicContact CB-CD1 4.33Å; F718-L746 HydrophobicContact CE1-CD1 4.41Å; F718-L746 HydrophobicContact CE1-CD2 4.39Å; F718-L746 HydrophobicContact CZ-CD1 4.45Å; F718-L746 HydrophobicContact CZ-CD2 4.48Å; L746-L748 HydrophobicContact CD2-CD1 3.62Å; L746-L748 HydrophobicContact CD2-CG 4.42Å; L746-L748 HydrophobicContact CG-CD1 3.75Å; L746-L748 HydrophobicContact CG-CG 4.09Å; L746-L765 HydrophobicContact CD2-CD1 4.07Å; L746-L765 HydrophobicContact CD2-CD2 3.94Å; L746-V772 HydrophobicContact CB-CG2 4.17Å; L746-G773 PolarHBondContact N-O 2.98Å; L746-Q775 PolarHBondContact O-N 2.72Å
747K91.5Very high85.6Confident74 Ų7443.9 Ų43.932%0.32222%0.218SC..EExtended strand (participates in β ladder)trans-98.6107.5-178.9-59.7-178.2174.3167.90110.3M712 H713 A714 H745M712-K747 PolarHBondContact O-N 3.37Å; H713-K747 PolarHBondContact ND1-O 2.99Å; H713-K747 VanDerWaalsContact ND1-O 3.12Å; A714-K747 PolarHBondContact N-O 3.41Å; H745-K747 WeakPolarHBondContact ND1-CG 3.27Å
748L91.6Very high85.8Confident0 Ų043.5 Ų43.50%022%0.216CC..  trans-120.145.3-178.1-76.3155.4000110A714 F718 V719 L746 I753 L761 Q775 L776 N779A714-L748 HydrophobicContact CB-CD2 3.26Å; A714-L748 HydrophobicContact CB-CG 3.79Å; F718-L748 HydrophobicContact CD1-CD2 4.11Å; F718-L748 HydrophobicContact CE1-CD2 4.23Å; V719-L748 HydrophobicContact CG2-CD2 3.71Å; L746-L748 HydrophobicContact CD2-CD1 3.62Å; L746-L748 HydrophobicContact CD2-CG 4.42Å; L746-L748 HydrophobicContact CG-CD1 3.75Å; L746-L748 HydrophobicContact CG-CG 4.09Å; L748-I753 HydrophobicContact CB-CD1 3.59Å; L748-I753 HydrophobicContact CD1-CD1 4.3Å; L748-I753 HydrophobicContact CD2-CD1 3.93Å; L748-I753 HydrophobicContact CG-CD1 4.16Å; L748-L761 HydrophobicContact CD1-CD1 4.25Å; L748-L761 HydrophobicContact CD1-CD2 4.02Å; L748-Q775 CarbonylContact C-O 3.24Å; L748-Q775 WeakPolarHBondContact CA-O 3.26Å; L748-Q775 WeakPolarHBondContact CB-O 3.47Å; L748-Q775 PolarHBondContact N-O 3.29Å; L748-L776 HydrophobicContact CB-CD2 3.74Å; L748-L776 HydrophobicContact CD1-CD2 3.9Å; L748-L776 HydrophobicContact CG-CD2 4.47Å; L748-N779 PolarHBondContact O-ND2 3.39Å
749T87.4Confident85.8Confident30 Ų3044.2 Ų44.218%0.18422%0.22CC..THydrogen-bonded Turntrans-83137.7-177.756.20000111.1C751 Q775 D777T749-C751 PolarHBondContact O-N 3.48Å; T749-Q775 HydrophobicContact CG2-CG 3.73Å; T749-D777 VanDerWaalsContact CA-O 3.25Å; T749-D777 WeakPolarHBondContact CA-O 2.99Å; T749-D777 HydrophobicContact CG2-CB 3.93Å
750Y81.4Confident86.2Confident173 Ų17341.7 Ų41.768%0.67820%0.202SC*.THydrogen-bonded Turntrans56.835.1-178.3-53.8-86.7000113.2D777 N778Y750-D777 PolarHBondContact N-O 2.74Å; Y750-N778 WeakPolarHBondContact CA-O 3.5Å; Y750-N778 HydrophobicContact CD1-CB 3.61Å; Y750-N778 HydrophobicContact CD2-CB 4.27Å; Y750-N778 HydrophobicContact CE1-CB 3.31Å; Y750-N778 HydrophobicContact CE2-CB 4Å; Y750-N778 WeakPolarHBondContact CE2-ND2 3.49Å; Y750-N778 HydrophobicContact CG-CB 4.09Å; Y750-N778 PolarHBondContact N-O 2.99Å; Y750-N778 PolarHBondContact OH-ND2 3.29Å; Y750-N778 VanDerWaalsContact OH-ND2 3.11Å
751C82.3Confident86.9Confident25 Ų2536.1 Ų36.117%0.16918%0.178CC..SBendtrans-99.313.2-179.6-64.60000112.9V719 T749 I753 N779V719-C751 HydrophobicContact CG2-CB 4.22Å; T749-C751 PolarHBondContact O-N 3.48Å; C751-I753 VanDerWaalsContact C-N 3.31Å; C751-I753 HydrophobicContact CB-CD1 3.85Å; C751-I753 HydrophobicContact CB-CG1 3.92Å; C751-I753 PolarHBondContact O-N 3.09Å; C751-N779 PolarHBondContact N-OD1 3.46Å
752N79.1Confident87.6Confident51 Ų5135.2 Ų35.227%0.27317%0.174SC..  trans49.446.9-174.1-159.736.3000113.8E284 K429 G754 N779E284-N752 WeakPolarHBondContact CG-ND2 3.44Å; E284-N752 PolarHBondContact OE1-ND2 3.25Å; K429-N752 PolarHBondContact NZ-OD1 2.79Å; N752-G754 PolarHBondContact O-N 3.19Å; N752-N779 PolarHBondContact N-OD1 3.33Å
753I87Confident88.4Confident0 Ų030.4 Ų30.40%015%0.15CC..  trans-81.7112.8-178.8-65.9169.4000109.7L748 C751 E757 L761 L776 N779 S780 V781L748-I753 HydrophobicContact CB-CD1 3.59Å; L748-I753 HydrophobicContact CD1-CD1 4.3Å; L748-I753 HydrophobicContact CD2-CD1 3.93Å; L748-I753 HydrophobicContact CG-CD1 4.16Å; C751-I753 VanDerWaalsContact C-N 3.31Å; C751-I753 HydrophobicContact CB-CD1 3.85Å; C751-I753 HydrophobicContact CB-CG1 3.92Å; C751-I753 PolarHBondContact O-N 3.09Å; I753-E757 HydrophobicContact CB-CB 4.19Å; I753-E757 HydrophobicContact CG1-CB 4.26Å; I753-E757 HydrophobicContact CG2-CB 3.76Å; I753-L761 HydrophobicContact CD1-CD1 3.99Å; I753-L761 HydrophobicContact CG2-CD1 4.04Å; I753-L776 HydrophobicContact CB-CD2 4.5Å; I753-L776 HydrophobicContact CD1-CD2 3.35Å; I753-L776 HydrophobicContact CG1-CD2 4.5Å; I753-L776 HydrophobicContact CG2-CD2 4.15Å; I753-N779 HydrophobicContact CB-CB 4.01Å; I753-N779 PolarHBondContact N-OD1 3.03Å; I753-N779 WeakPolarHBondContact O-CB 3.34Å; I753-S780 CarbonylContact O-C 3.46Å; I753-S780 VanDerWaalsContact O-C 3.28Å; I753-S780 PolarHBondContact O-N 3.06Å; I753-V781 HydrophobicContact CG2-CG2 4.16Å; I753-V781 PolarHBondContact O-N 3.29Å
754G86Confident89Confident9 Ų929.7 Ų29.79%0.09315%0.145CC..  trans-105.2-167.1169.600000112.5N752 V756 E757 C758N752-G754 PolarHBondContact O-N 3.19Å; G754-V756 VanDerWaalsContact C-N 3.31Å; G754-V756 PolarHBondContact O-N 3.26Å; G754-E757 VanDerWaalsContact CA-OE2 3.32Å; G754-E757 WeakPolarHBondContact CA-OE2 3.36Å; G754-E757 PolarHBondContact N-OE2 3.42Å; G754-E757 PolarHBondContact O-N 3.25Å; G754-C758 PolarHBondContact O-N 2.93Å; G754-C758 PolarHBondContact O-SG 2.92Å
755P86.2Confident89.4Confident15 Ų1525 Ų2510%0.09712%0.123CC..Hα-helixtrans-56.9-39.6178-28.636.7000114.1C758 T759 V784P755-C758 WeakPolarHBondContact O-CB 3.43Å; P755-C758 PolarHBondContact O-N 3.39Å; P755-T759 PolarHBondContact O-N 3.45Å; P755-T759 PolarHBondContact O-OG1 3.37Å; P755-V784 HydrophobicContact CB-CB 4.28Å; P755-V784 HydrophobicContact CB-CG1 3.95Å; P755-V784 HydrophobicContact CG-CB 4.15Å; P755-V784 HydrophobicContact CG-CG1 4.33Å
756V85.3Confident89.7Confident37 Ų3726.5 Ų26.522%0.22413%0.129CC..Hα-helixtrans-66.8-45-178.8-177.10000111.1L466 G754 C758 T759 A760L466-V756 HydrophobicContact CD2-CB 4.45Å; L466-V756 HydrophobicContact CD2-CG1 3.79Å; L466-V756 HydrophobicContact CD2-CG2 3.77Å; L466-V756 HydrophobicContact CG-CG2 4.49Å; G754-V756 VanDerWaalsContact C-N 3.31Å; G754-V756 PolarHBondContact O-N 3.26Å; V756-C758 VanDerWaalsContact C-N 3.27Å; V756-C758 PolarHBondContact O-N 3.46Å; V756-T759 PolarHBondContact O-N 3.34Å; V756-A760 PolarHBondContact O-N 2.99Å; V756-A760 VanDerWaalsContact O-N 3.17Å
757E90.2Very high89.9Confident24 Ų2428.6 Ų28.611%0.11214%0.139CC..Hα-helixtrans-62-37.9174.1-69.266.5-142.100111.1V719 K723 I753 G754 A760 L761V719-E757 HydrophobicContact CG1-CG 4.14Å; K723-E757 VanDerWaalsContact CE-CG 3.42Å; K723-E757 WeakPolarHBondContact CE-OE1 3.48Å; K723-E757 IonicContact NZ-OE1 2.68Å; K723-E757 PolarHBondContact NZ-OE1 2.9Å; I753-E757 HydrophobicContact CB-CB 4.19Å; I753-E757 HydrophobicContact CG1-CB 4.26Å; I753-E757 HydrophobicContact CG2-CB 3.76Å; G754-E757 VanDerWaalsContact CA-OE2 3.32Å; G754-E757 WeakPolarHBondContact CA-OE2 3.36Å; G754-E757 PolarHBondContact N-OE2 3.42Å; G754-E757 PolarHBondContact O-N 3.25Å; E757-A760 PolarHBondContact O-N 3.19Å; E757-L761 WeakPolarHBondContact O-CB 3.5Å; E757-L761 VanDerWaalsContact O-CG 3.26Å; E757-L761 WeakPolarHBondContact O-CG 3.36Å; E757-L761 PolarHBondContact O-N 3.18Å
758C93.2Very high89.9Confident0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-61.8-42.3175.8-72.20000112.3G754 P755 V756 L761 A762 G785 Q788 L789G754-C758 PolarHBondContact O-N 2.93Å; G754-C758 PolarHBondContact O-SG 2.92Å; P755-C758 WeakPolarHBondContact O-CB 3.43Å; P755-C758 PolarHBondContact O-N 3.39Å; V756-C758 VanDerWaalsContact C-N 3.27Å; V756-C758 PolarHBondContact O-N 3.46Å; C758-L761 PolarHBondContact O-N 3.07Å; C758-A762 WeakPolarHBondContact O-CB 3.39Å; C758-A762 PolarHBondContact O-N 3.4Å; C758-G785 WeakPolarHBondContact CB-O 3.46Å; C758-Q788 HydrophobicContact CB-CB 3.82Å; C758-L789 HydrophobicContact CB-CD2 4.04Å; C758-L789 HydrophobicContact CB-CG 3.88Å
759T92.2Very high89.7Confident18 Ų1834 Ų3411%0.1116%0.164CC..Hα-helixtrans-61.2-46.1175.1-50.30000111.1Y726 P755 V756 A762 Y763 Q788Y726-T759 HydrophobicContact CE2-CG2 3.71Å; Y726-T759 WeakPolarHBondContact OH-CG2 3.43Å; P755-T759 PolarHBondContact O-N 3.45Å; P755-T759 PolarHBondContact O-OG1 3.37Å; V756-T759 PolarHBondContact O-N 3.34Å; T759-A762 PolarHBondContact O-N 3.07Å; T759-Y763 WeakPolarHBondContact O-CB 3.49Å; T759-Y763 PolarHBondContact O-N 3.14Å; T759-Q788 WeakPolarHBondContact OG1-CB 3.49Å; T759-Q788 VanDerWaalsContact OG1-CD 3.28Å; T759-Q788 WeakPolarHBondContact OG1-CG 3.41Å; T759-Q788 PolarHBondContact OG1-OE1 3.17Å
760A94Very high89.7Confident1 Ų137.5 Ų37.51%0.00818%0.181CC..Hα-helixtrans-64.3-42.8178.500000112.3I722 K723 Y726 V756 E757 Y763 V764I722-A760 HydrophobicContact CG2-CB 4.01Å; I722-A760 WeakPolarHBondContact CG2-O 3.18Å; K723-A760 HydrophobicContact CG-CB 4.47Å; Y726-A760 HydrophobicContact CD1-CB 4.03Å; Y726-A760 HydrophobicContact CD2-CB 4.4Å; Y726-A760 HydrophobicContact CG-CB 3.74Å; V756-A760 PolarHBondContact O-N 2.99Å; V756-A760 VanDerWaalsContact O-N 3.17Å; E757-A760 PolarHBondContact O-N 3.19Å; A760-Y763 PolarHBondContact O-N 2.92Å; A760-V764 PolarHBondContact O-N 3.42Å
761L94.6Very high90.2Very high2 Ų231.9 Ų31.91%0.0117%0.166CC..Hα-helixtrans-60-47.1173.9-76.8167.2000111F718 I722 L748 I753 E757 C758 Y763 V764 L765 L776 L789F718-L761 HydrophobicContact CE1-CD2 4.41Å; I722-L761 HydrophobicContact CG2-CD2 4.23Å; I722-L761 HydrophobicContact CG2-CG 4.45Å; L748-L761 HydrophobicContact CD1-CD1 4.25Å; L748-L761 HydrophobicContact CD1-CD2 4.02Å; I753-L761 HydrophobicContact CD1-CD1 3.99Å; I753-L761 HydrophobicContact CG2-CD1 4.04Å; E757-L761 WeakPolarHBondContact O-CB 3.5Å; E757-L761 VanDerWaalsContact O-CG 3.26Å; E757-L761 WeakPolarHBondContact O-CG 3.36Å; E757-L761 PolarHBondContact O-N 3.18Å; C758-L761 PolarHBondContact O-N 3.07Å; L761-Y763 VanDerWaalsContact C-N 3.33Å; L761-Y763 PolarHBondContact O-N 2.83Å; L761-V764 PolarHBondContact O-N 3.01Å; L761-L765 HydrophobicContact CB-CD1 4.21Å; L761-L765 HydrophobicContact CD2-CD1 4.13Å; L761-L765 WeakPolarHBondContact O-CB 3.06Å; L761-L765 WeakPolarHBondContact O-CG 3.35Å; L761-L765 PolarHBondContact O-N 3.27Å; L761-L776 HydrophobicContact CD1-CD2 4.3Å; L761-L789 HydrophobicContact CB-CD2 4.45Å
762A95Very high90.7Very high2 Ų230.8 Ų30.82%0.01716%0.158CC..Hα-helixtrans-61-43.9179.200000111.9C758 T759 V764 Q766 Q788 P791 C792C758-A762 WeakPolarHBondContact O-CB 3.39Å; C758-A762 PolarHBondContact O-N 3.4Å; T759-A762 PolarHBondContact O-N 3.07Å; A762-V764 VanDerWaalsContact C-N 3.3Å; A762-V764 PolarHBondContact O-N 3.46Å; A762-Q766 WeakPolarHBondContact O-CB 3.06Å; A762-Q766 WeakPolarHBondContact O-CG 3.14Å; A762-Q766 PolarHBondContact O-N 3.15Å; A762-Q766 VanDerWaalsContact O-N 3.14Å; A762-Q788 WeakPolarHBondContact CB-O 3.45Å; A762-P791 HydrophobicContact CB-CB 4.32Å; A762-P791 HydrophobicContact CB-CG 4.44Å; A762-C792 HydrophobicContact CB-CB 4.24Å
763Y94.3Very high91.5Very high32 Ų3228.4 Ų28.413%0.12515%0.146CC..Hα-helixtrans-58.8-38.5178.8180-93.7000113.3I725 Y726 Q729 N730 S731 A734 T759 A760 L761 Q766I725-Y763 HydrophobicContact CG2-CE1 4.49Å; Y726-Y763 HydrophobicContact CD2-CD1 4.19Å; Y726-Y763 HydrophobicContact CD2-CD2 4.23Å; Y726-Y763 AromaticContact CD2-CG 3.77Å; Y726-Y763 HydrophobicContact CD2-CG 3.77Å; Y726-Y763 HydrophobicContact CE2-CG 4.47Å; Q729-Y763 WeakPolarHBondContact CA-OH 3.32Å; Q729-Y763 PolarHBondContact O-OH 3.38Å; N730-Y763 PolarHBondContact N-OH 3.19Å; S731-Y763 PolarHBondContact N-OH 2.95Å; S731-Y763 VanDerWaalsContact N-OH 3.16Å; A734-Y763 HydrophobicContact CB-CD1 4.4Å; A734-Y763 HydrophobicContact CB-CE1 3.91Å; T759-Y763 WeakPolarHBondContact O-CB 3.49Å; T759-Y763 PolarHBondContact O-N 3.14Å; A760-Y763 PolarHBondContact O-N 2.92Å; L761-Y763 VanDerWaalsContact C-N 3.33Å; L761-Y763 PolarHBondContact O-N 2.83Å; Y763-Q766 VanDerWaalsContact O-CG 3.22Å; Y763-Q766 WeakPolarHBondContact O-CG 3.18Å; Y763-Q766 PolarHBondContact O-NE2 3.13Å
764V94.4Very high91.9Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-88.3-48.1-178.7-178.50000111.4I722 I725 A734 M738 A760 L761 A762 Q766 H767I722-V764 HydrophobicContact CD1-CB 3.71Å; I722-V764 HydrophobicContact CD1-CG1 3.44Å; I722-V764 VanDerWaalsContact CD1-CG1 3.44Å; I722-V764 HydrophobicContact CD1-CG2 3.94Å; I722-V764 HydrophobicContact CG2-CB 4.33Å; I722-V764 HydrophobicContact CG2-CG2 3.98Å; I725-V764 HydrophobicContact CB-CG2 4.16Å; I725-V764 HydrophobicContact CG2-CG2 3.73Å; A734-V764 HydrophobicContact CB-CG2 4.46Å; M738-V764 HydrophobicContact CE-CG1 3.51Å; M738-V764 HydrophobicContact CG-CG1 3.48Å; M738-V764 VanDerWaalsContact CG-CG1 3.48Å; M738-V764 WeakPolarHBondContact CG-O 3.18Å; M738-V764 HydrophobicContact SD-CG1 3.68Å; A760-V764 PolarHBondContact O-N 3.42Å; L761-V764 PolarHBondContact O-N 3.01Å; A762-V764 VanDerWaalsContact C-N 3.3Å; A762-V764 PolarHBondContact O-N 3.46Å; V764-Q766 VanDerWaalsContact C-N 3.26Å; V764-Q766 PolarHBondContact O-N 2.99Å; V764-H767 PolarHBondContact O-N 3.17Å
765L93.4Very high92.3Very high1 Ų129.9 Ų29.91%0.00515%0.15CC..Hα-helixtrans-66.1-25.7-174.2-63.5178.7000112.9M738 L746 L761 H767 L768 I774 C792 I795M738-L765 HydrophobicContact SD-CD2 4.14Å; L746-L765 HydrophobicContact CD2-CD1 4.07Å; L746-L765 HydrophobicContact CD2-CD2 3.94Å; L761-L765 HydrophobicContact CB-CD1 4.21Å; L761-L765 HydrophobicContact CD2-CD1 4.13Å; L761-L765 WeakPolarHBondContact O-CB 3.06Å; L761-L765 WeakPolarHBondContact O-CG 3.35Å; L761-L765 PolarHBondContact O-N 3.27Å; L765-H767 PolarHBondContact O-N 3.46Å; L765-L768 HydrophobicContact CB-CD1 4.24Å; L765-L768 HydrophobicContact CD2-CD1 3.78Å; L765-L768 WeakPolarHBondContact O-CB 3.38Å; L765-L768 WeakPolarHBondContact O-CG 3.43Å; L765-L768 PolarHBondContact O-N 3.01Å; L765-I774 HydrophobicContact CD1-CD1 4.16Å; L765-C792 HydrophobicContact CB-CB 4.24Å; L765-I795 HydrophobicContact CB-CD1 4.38Å; L765-I795 WeakPolarHBondContact O-CG1 3.47Å
766Q94.3Very high92.8Very high61 Ų6129.1 Ų29.129%0.28515%0.146SC..THydrogen-bonded Turntrans-55.5-19.517563.5178.9-2200114.1A762 Y763 V764 C792 H794A762-Q766 WeakPolarHBondContact O-CB 3.06Å; A762-Q766 WeakPolarHBondContact O-CG 3.14Å; A762-Q766 PolarHBondContact O-N 3.15Å; A762-Q766 VanDerWaalsContact O-N 3.14Å; Y763-Q766 VanDerWaalsContact O-CG 3.22Å; Y763-Q766 WeakPolarHBondContact O-CG 3.18Å; Y763-Q766 PolarHBondContact O-NE2 3.13Å; V764-Q766 VanDerWaalsContact C-N 3.26Å; V764-Q766 PolarHBondContact O-N 2.99Å; Q766-C792 HydrophobicContact CB-CB 4.25Å; Q766-H794 PolarHBondContact O-NE2 2.96Å; Q766-H794 VanDerWaalsContact O-NE2 3.17Å
767H94.1Very high93.1Very high46 Ų4627.7 Ų27.721%0.21314%0.137CC..THydrogen-bonded Turntrans-89.40.8178.3-63.2-53.3000114.5S731 K735 M738 V764 L765S731-H767 PolarHBondContact OG-CE1 2.89Å; S731-H767 PolarHBondContact OG-NE2 3.09Å; S731-H767 VanDerWaalsContact OG-NE2 3.16Å; K735-H767 HydrophobicContact CB-CB 4.35Å; M738-H767 HydrophobicContact CB-CB 4.37Å; V764-H767 PolarHBondContact O-N 3.17Å; L765-H767 PolarHBondContact O-N 3.46Å
768L91.1Very high92.8Very high18 Ų1828.6 Ų28.69%0.09414%0.142CC..  trans-64.3140.7173.7-71.3172.4000111.2M738 L741 L765 V772 I795M738-L768 HydrophobicContact CB-CD2 4Å; M738-L768 HydrophobicContact CG-CD2 4.29Å; M738-L768 HydrophobicContact SD-CD2 3.97Å; M738-L768 HydrophobicContact SD-CG 4.38Å; L741-L768 HydrophobicContact CB-CD2 3.99Å; L741-L768 HydrophobicContact CD2-CD2 3.9Å; L741-L768 HydrophobicContact CG-CD2 4.12Å; L765-L768 HydrophobicContact CB-CD1 4.24Å; L765-L768 HydrophobicContact CD2-CD1 3.78Å; L765-L768 WeakPolarHBondContact O-CB 3.38Å; L765-L768 WeakPolarHBondContact O-CG 3.43Å; L765-L768 PolarHBondContact O-N 3.01Å; L768-V772 HydrophobicContact CD1-CB 4.47Å; L768-V772 HydrophobicContact CD1-CG1 3.85Å; L768-I795 HydrophobicContact CB-CB 4.46Å; L768-I795 HydrophobicContact CB-CG1 4.49Å; L768-I795 HydrophobicContact CB-CG2 4.3Å; L768-I795 HydrophobicContact CD1-CD1 4.49Å; L768-I795 WeakPolarHBondContact O-CG2 3.41Å
769K87.5Confident92.5Very high170 Ų17029 Ų2974%0.73914%0.144SC*.SBendtrans-84.2-32180-65.1-178.1-179175.40112.8
770N88.2Confident92Very high103 Ų10329.2 Ų29.255%0.55115%0.146SC*.SBendtrans-111145-173.9-63.8-29.8000110.3
771P91.6Very high91.8Very high54 Ų5429.1 Ų29.135%0.35115%0.146SC..  trans-59.8139.6172.5-22.933.7000111.9I795 N823P771-I795 CarbonylContact C-O 3.39Å; P771-I795 WeakPolarHBondContact CA-O 3.25Å; P771-N823 HydrophobicContact CB-CB 4.3Å; P771-N823 HydrophobicContact CG-CB 4.3Å
772V93Very high91.5Very high3 Ų329.7 Ų29.72%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-131.7142.6-176.368.40000110.6L746 L768 I774 I795 C796 S797L746-V772 HydrophobicContact CB-CG2 4.17Å; L768-V772 HydrophobicContact CD1-CB 4.47Å; L768-V772 HydrophobicContact CD1-CG1 3.85Å; V772-I774 HydrophobicContact CG1-CD1 4.43Å; V772-I774 HydrophobicContact CG1-CG1 3.97Å; V772-I795 HydrophobicContact CG1-CD1 3.77Å; V772-I795 PolarHBondContact N-O 3.32Å; V772-C796 WeakPolarHBondContact O-CA 3.49Å; V772-S797 VanDerWaalsContact C-OG 3.32Å; V772-S797 PolarHBondContact O-N 2.99Å; V772-S797 PolarHBondContact O-OG 3.24Å
773G94.9Very high91.2Very high1 Ų131.5 Ų31.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-79.7122.5166.200000110.1E744 H745 L746 S797 S798E744-G773 PolarHBondContact O-N 3.3Å; H745-G773 CarbonylContact C-O 3.24Å; H745-G773 WeakPolarHBondContact CA-O 3.45Å; L746-G773 PolarHBondContact N-O 2.98Å; G773-S797 PolarHBondContact N-OG 3.27Å; G773-S798 CarbonylContact C-O 3.57Å; G773-S798 VanDerWaalsContact CA-O 3.29Å; G773-S798 WeakPolarHBondContact CA-O 3.36Å
774I95.6Very high90.7Very high1 Ų130.7 Ų30.71%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-102.9116.7179.5-60177.1000108.2L765 V772 L776 M793 I795 C796 S798 L799 Y800L765-I774 HydrophobicContact CD1-CD1 4.16Å; V772-I774 HydrophobicContact CG1-CD1 4.43Å; V772-I774 HydrophobicContact CG1-CG1 3.97Å; I774-L776 HydrophobicContact CG2-CD1 3.82Å; I774-L776 HydrophobicContact CG2-CD2 4.4Å; I774-L776 HydrophobicContact CG2-CG 3.78Å; I774-M793 HydrophobicContact CD1-CE 4.38Å; I774-I795 HydrophobicContact CD1-CD1 4.03Å; I774-C796 HydrophobicContact CD1-CB 4.43Å; I774-S798 PolarHBondContact N-O 2.89Å; I774-L799 HydrophobicContact CB-CD1 4.11Å; I774-L799 HydrophobicContact CG2-CD1 4.17Å; I774-L799 WeakPolarHBondContact O-CA 3.41Å; I774-Y800 PolarHBondContact O-N 2.68Å
775Q95.8Very high90.5Very high38 Ų3830.7 Ų30.718%0.17816%0.16CC..EExtended strand (participates in β ladder)trans-111.4111.5176.6177.3176.714.100110.9H745 L746 L748 T749 D777 Y800H745-Q775 VanDerWaalsContact CE1-CB 3.45Å; H745-Q775 WeakPolarHBondContact CE1-CB 3.47Å; H745-Q775 PolarHBondContact CE1-OE1 3.05Å; L746-Q775 PolarHBondContact O-N 2.72Å; L748-Q775 CarbonylContact C-O 3.24Å; L748-Q775 WeakPolarHBondContact CA-O 3.26Å; L748-Q775 WeakPolarHBondContact CB-O 3.47Å; L748-Q775 PolarHBondContact N-O 3.29Å; T749-Q775 HydrophobicContact CG2-CG 3.73Å; Q775-D777 HydrophobicContact CG-CB 4.43Å; Q775-D777 PolarHBondContact NE2-OD2 2.95Å; Q775-Y800 HydrophobicContact CB-CD2 3.92Å; Q775-Y800 HydrophobicContact CB-CG 4.28Å; Q775-Y800 HydrophobicContact CG-CD2 4.46Å; Q775-Y800 HydrophobicContact CG-CG 4.35Å
776L95.6Very high90.6Very high0 Ų030.7 Ų30.70%016%0.16CC..  trans-116.824.6-177.1-66.3169.3000111.6L748 I753 L761 I774 N779 V781 L789 Y800 L801 N804L748-L776 HydrophobicContact CB-CD2 3.74Å; L748-L776 HydrophobicContact CD1-CD2 3.9Å; L748-L776 HydrophobicContact CG-CD2 4.47Å; I753-L776 HydrophobicContact CB-CD2 4.5Å; I753-L776 HydrophobicContact CD1-CD2 3.35Å; I753-L776 HydrophobicContact CG1-CD2 4.5Å; I753-L776 HydrophobicContact CG2-CD2 4.15Å; L761-L776 HydrophobicContact CD1-CD2 4.3Å; I774-L776 HydrophobicContact CG2-CD1 3.82Å; I774-L776 HydrophobicContact CG2-CD2 4.4Å; I774-L776 HydrophobicContact CG2-CG 3.78Å; L776-N779 VanDerWaalsContact C-ND2 3.27Å; L776-N779 PolarHBondContact O-ND2 3.19Å; L776-V781 HydrophobicContact CB-CG2 4.36Å; L776-V781 HydrophobicContact CD1-CG2 4.32Å; L776-L789 HydrophobicContact CD1-CD1 3.55Å; L776-Y800 PolarHBondContact N-O 2.98Å; L776-L801 HydrophobicContact CB-CD2 3.87Å; L776-L801 HydrophobicContact CD1-CD2 3.99Å; L776-N804 PolarHBondContact O-ND2 3.16Å
777D91.4Very high90.4Very high7 Ų730 Ų304%0.03716%0.157CC..  trans-58.1142.3-177.9-59.7-23.2000112.5T749 Y750 Q775 N779 Y800 L801 R802T749-D777 VanDerWaalsContact CA-O 3.25Å; T749-D777 WeakPolarHBondContact CA-O 2.99Å; T749-D777 HydrophobicContact CG2-CB 3.93Å; Y750-D777 PolarHBondContact N-O 2.74Å; Q775-D777 HydrophobicContact CG-CB 4.43Å; Q775-D777 PolarHBondContact NE2-OD2 2.95Å; D777-N779 PolarHBondContact O-ND2 2.95Å; D777-Y800 VanDerWaalsContact OD1-CB 3.31Å; D777-Y800 WeakPolarHBondContact OD1-CB 3.48Å; D777-L801 PolarHBondContact OD1-N 3.37Å; D777-R802 CarbonylContact C-O 3.59Å; D777-R802 WeakPolarHBondContact CA-O 3.36Å; D777-R802 HydrophobicContact CB-CB 4Å; D777-R802 WeakPolarHBondContact OD1-CB 3.47Å; D777-R802 VanDerWaalsContact OD1-CG 3.22Å; D777-R802 WeakPolarHBondContact OD1-CG 3.46Å; D777-R802 PolarHBondContact OD1-N 3.29Å
778N84.9Confident90.3Very high42 Ų4228.3 Ų28.323%0.22515%0.149CC..SBendtrans5857.2179.6-50.9-73.7000112.7Y750 R802 N803Y750-N778 WeakPolarHBondContact CA-O 3.5Å; Y750-N778 HydrophobicContact CD1-CB 3.61Å; Y750-N778 HydrophobicContact CD2-CB 4.27Å; Y750-N778 HydrophobicContact CE1-CB 3.31Å; Y750-N778 HydrophobicContact CE2-CB 4Å; Y750-N778 WeakPolarHBondContact CE2-ND2 3.49Å; Y750-N778 HydrophobicContact CG-CB 4.09Å; Y750-N778 PolarHBondContact N-O 2.99Å; Y750-N778 PolarHBondContact OH-ND2 3.29Å; Y750-N778 VanDerWaalsContact OH-ND2 3.11Å; N778-R802 PolarHBondContact N-O 3.46Å; N778-N803 WeakPolarHBondContact OD1-CB 3.4Å; N778-N803 PolarHBondContact OD1-ND2 3.29Å
779N86.2Confident90.5Very high8 Ų827.6 Ų27.64%0.04315%0.145CC..SBendtrans-133.8-171.1173-72.7-72.6000108.8L748 C751 N752 I753 L776 D777 V781 N803 N804L748-N779 PolarHBondContact O-ND2 3.39Å; C751-N779 PolarHBondContact N-OD1 3.46Å; N752-N779 PolarHBondContact N-OD1 3.33Å; I753-N779 HydrophobicContact CB-CB 4.01Å; I753-N779 PolarHBondContact N-OD1 3.03Å; I753-N779 WeakPolarHBondContact O-CB 3.34Å; L776-N779 VanDerWaalsContact C-ND2 3.27Å; L776-N779 PolarHBondContact O-ND2 3.19Å; D777-N779 PolarHBondContact O-ND2 2.95Å; N779-V781 HydrophobicContact CB-CG2 4.34Å; N779-N803 VanDerWaalsContact O-O 3.1Å; N779-N804 WeakPolarHBondContact CB-OD1 3.24Å; N779-N804 PolarHBondContact O-OD1 2.97Å
780S82.8Confident90.9Very high23 Ų2320.9 Ų20.916%0.16112%0.117CC..  trans-119.345.4-177.7-58.80000111K429 I753K429-S780 VanDerWaalsContact CD-OG 3.3Å; K429-S780 WeakPolarHBondContact CD-OG 3.4Å; K429-S780 WeakPolarHBondContact CE-OG 3.46Å; K429-S780 PolarHBondContact NZ-OG 3.03Å; I753-S780 CarbonylContact O-C 3.46Å; I753-S780 VanDerWaalsContact O-C 3.28Å; I753-S780 PolarHBondContact O-N 3.06Å
781V89.8Confident91.1Very high0 Ų019 Ų190%011%0.111CC..  trans-60.2-50.5-176.5173.80000110.8I753 L776 N779 G785 V786 L789 L801 N804I753-V781 HydrophobicContact CG2-CG2 4.16Å; I753-V781 PolarHBondContact O-N 3.29Å; L776-V781 HydrophobicContact CB-CG2 4.36Å; L776-V781 HydrophobicContact CD1-CG2 4.32Å; N779-V781 HydrophobicContact CB-CG2 4.34Å; V781-G785 WeakPolarHBondContact O-CA 3.45Å; V781-G785 PolarHBondContact O-N 3.48Å; V781-V786 HydrophobicContact CG1-CG2 3.99Å; V781-L789 HydrophobicContact CG1-CD1 4.32Å; V781-L801 HydrophobicContact CB-CD2 4.18Å; V781-L801 HydrophobicContact CG1-CD2 4.02Å; V781-L801 HydrophobicContact CG2-CD2 4Å; V781-N804 HydrophobicContact CB-CB 4.28Å; V781-N804 VanDerWaalsContact CB-OD1 3.27Å; V781-N804 WeakPolarHBondContact CB-OD1 3.22Å; V781-N804 WeakPolarHBondContact CG2-OD1 3.26Å; V781-N804 PolarHBondContact N-OD1 3.08Å; V781-N804 VanDerWaalsContact N-OD1 3.16Å
782G87.7Confident91.3Very high13 Ų1316.5 Ų16.513%0.1349%0.094CC..Hα-helixtrans58-173.8-177.200000113.9V784 G785 V786 N804G782-V784 PolarHBondContact O-N 3.17Å; G782-G785 PolarHBondContact O-N 2.96Å; G782-V786 WeakPolarHBondContact O-CG2 3.37Å; G782-V786 PolarHBondContact O-N 3.38Å; G782-V786 VanDerWaalsContact O-N 3.08Å; G782-N804 WeakPolarHBondContact CA-O 3.46Å; G782-N804 PolarHBondContact N-O 3.18Å
783D87.9Confident91.4Very high41 Ų4116.3 Ų16.322%0.2199%0.093CC..Hα-helixtrans-65.8-39-178.4-62.8-26.4000112.7V786 E787 T807 G810D783-V786 PolarHBondContact O-N 3.11Å; D783-E787 PolarHBondContact O-N 3.44Å; D783-T807 VanDerWaalsContact CG-OG1 3.3Å; D783-T807 PolarHBondContact OD1-N 3.4Å; D783-T807 PolarHBondContact OD1-OG1 3.07Å; D783-T807 WeakPolarHBondContact OD2-CB 3.43Å; D783-T807 WeakPolarHBondContact OD2-CG2 3.42Å; D783-T807 PolarHBondContact OD2-OG1 3.24Å; D783-G810 WeakPolarHBondContact OD1-CA 3.33Å; D783-G810 PolarHBondContact OD1-N 3.09Å
784V84.3Confident91.3Very high14 Ų1420.1 Ų20.19%0.08511%0.111CC..Hα-helixtrans-66.7-43.3179-176.30000110.4P433 H468 P755 G782 V786 E787 Q788P433-V784 HydrophobicContact CG-CG2 4.43Å; H468-V784 WeakPolarHBondContact NE2-CG2 3.42Å; P755-V784 HydrophobicContact CB-CB 4.28Å; P755-V784 HydrophobicContact CB-CG1 3.95Å; P755-V784 HydrophobicContact CG-CB 4.15Å; P755-V784 HydrophobicContact CG-CG1 4.33Å; G782-V784 PolarHBondContact O-N 3.17Å; V784-V786 VanDerWaalsContact C-N 3.32Å; V784-V786 PolarHBondContact O-N 3.37Å; V784-E787 WeakPolarHBondContact O-CB 3.36Å; V784-E787 PolarHBondContact O-N 3.29Å; V784-E787 VanDerWaalsContact O-N 3.15Å; V784-Q788 HydrophobicContact CG1-CG 4.48Å; V784-Q788 WeakPolarHBondContact O-CG 3.44Å; V784-Q788 PolarHBondContact O-N 2.9Å
785G91Very high91.3Very high0 Ų020.5 Ų20.50%011%0.112CC..Hα-helixtrans-64.5-36.2175.900000112.8C758 V781 G782 E787 Q788 L789C758-G785 WeakPolarHBondContact CB-O 3.46Å; V781-G785 WeakPolarHBondContact O-CA 3.45Å; V781-G785 PolarHBondContact O-N 3.48Å; G782-G785 PolarHBondContact O-N 2.96Å; G785-E787 VanDerWaalsContact C-N 3.31Å; G785-E787 PolarHBondContact O-N 2.93Å; G785-Q788 PolarHBondContact O-N 3.04Å; G785-L789 WeakPolarHBondContact O-CG 3.42Å; G785-L789 PolarHBondContact O-N 3.08Å
786V94.4Very high91.2Very high2 Ų218.7 Ų18.71%0.01210%0.104CC..Hα-helixtrans-59.6-43.7171.6169.90000110.9V781 G782 D783 V784 L789 L790 L801 I806 G810 L814V781-V786 HydrophobicContact CG1-CG2 3.99Å; G782-V786 WeakPolarHBondContact O-CG2 3.37Å; G782-V786 PolarHBondContact O-N 3.38Å; G782-V786 VanDerWaalsContact O-N 3.08Å; D783-V786 PolarHBondContact O-N 3.11Å; V784-V786 VanDerWaalsContact C-N 3.32Å; V784-V786 PolarHBondContact O-N 3.37Å; V786-L789 PolarHBondContact O-N 2.95Å; V786-L790 PolarHBondContact O-N 2.83Å; V786-L801 HydrophobicContact CG2-CD1 4.09Å; V786-I806 HydrophobicContact CG2-CD1 3.78Å; V786-I806 HydrophobicContact CG2-CG1 3.99Å; V786-I806 HydrophobicContact CG2-CG2 4.39Å; V786-G810 WeakPolarHBondContact CG1-O 3.39Å; V786-L814 HydrophobicContact CG1-CB 3.73Å; V786-L814 HydrophobicContact CG1-CD1 4.38Å; V786-L814 HydrophobicContact CG1-CD2 4.4Å; V786-L814 HydrophobicContact CG1-CG 4.39Å
787E91.5Very high91.2Very high46 Ų4619.8 Ų19.822%0.21511%0.112CC..Hα-helixtrans-63.1-40174.8-178.4165.7-14600112.6D783 V784 G785 L789 L790 K813D783-E787 PolarHBondContact O-N 3.44Å; V784-E787 WeakPolarHBondContact O-CB 3.36Å; V784-E787 PolarHBondContact O-N 3.29Å; V784-E787 VanDerWaalsContact O-N 3.15Å; G785-E787 VanDerWaalsContact C-N 3.31Å; G785-E787 PolarHBondContact O-N 2.93Å; E787-L789 VanDerWaalsContact C-N 3.25Å; E787-L789 PolarHBondContact O-N 3.17Å; E787-L790 HydrophobicContact CG-CD1 4.36Å; E787-L790 WeakPolarHBondContact O-CB 3.47Å; E787-L790 VanDerWaalsContact O-CG 3.22Å; E787-L790 WeakPolarHBondContact O-CG 3.47Å; E787-L790 PolarHBondContact O-N 2.71Å; E787-K813 HydrophobicContact CB-CD 4.35Å; E787-K813 HydrophobicContact CG-CD 4.34Å; E787-K813 IonicContact OE1-NZ 3.15Å; E787-K813 PolarHBondContact OE1-NZ 2.9Å; E787-K813 IonicContact OE2-NZ 2.72Å; E787-K813 PolarHBondContact OE2-NZ 3.42Å
788Q91.6Very high91.5Very high11 Ų1119.9 Ų19.95%0.05111%0.113CC..Hα-helixtrans-66.9-24.4176-66.1-47.5-55.800113.4T461 C758 T759 A762 V784 G785 P791T461-Q788 PolarHBondContact O-NE2 3.05Å; T461-Q788 PolarHBondContact OG1-NE2 3.21Å; C758-Q788 HydrophobicContact CB-CB 3.82Å; T759-Q788 WeakPolarHBondContact OG1-CB 3.49Å; T759-Q788 VanDerWaalsContact OG1-CD 3.28Å; T759-Q788 WeakPolarHBondContact OG1-CG 3.41Å; T759-Q788 PolarHBondContact OG1-OE1 3.17Å; A762-Q788 WeakPolarHBondContact CB-O 3.45Å; V784-Q788 HydrophobicContact CG1-CG 4.48Å; V784-Q788 WeakPolarHBondContact O-CG 3.44Å; V784-Q788 PolarHBondContact O-N 2.9Å; G785-Q788 PolarHBondContact O-N 3.04Å; Q788-P791 VanDerWaalsContact O-CD 3.25Å; Q788-P791 WeakPolarHBondContact O-CD 3.38Å
789L95.6Very high92.1Very high3 Ų318 Ų182%0.01610%0.103CC..Hα-helixtrans-79.4-18.4176.5-72.9172.2000113.5C758 L761 L776 V781 G785 V786 E787 P791 C792 M793C758-L789 HydrophobicContact CB-CD2 4.04Å; C758-L789 HydrophobicContact CB-CG 3.88Å; L761-L789 HydrophobicContact CB-CD2 4.45Å; L776-L789 HydrophobicContact CD1-CD1 3.55Å; V781-L789 HydrophobicContact CG1-CD1 4.32Å; G785-L789 WeakPolarHBondContact O-CG 3.42Å; G785-L789 PolarHBondContact O-N 3.08Å; V786-L789 PolarHBondContact O-N 2.95Å; E787-L789 VanDerWaalsContact C-N 3.25Å; E787-L789 PolarHBondContact O-N 3.17Å; L789-P791 VanDerWaalsContact C-N 3.3Å; L789-P791 VanDerWaalsContact O-N 3.12Å; L789-C792 PolarHBondContact O-N 2.68Å; L789-C792 PolarHBondContact O-SG 3.06Å; L789-M793 HydrophobicContact CB-CE 3.99Å; L789-M793 WeakPolarHBondContact O-CE 3.5Å
790L94.6Very high92.6Very high28 Ų2819.5 Ų19.515%0.14711%0.108CC..G310 helixtrans-51.4-37.1-175.5-59.1-177.7000115.1V786 E787 C792 M793 L814 K817V786-L790 PolarHBondContact O-N 2.83Å; E787-L790 HydrophobicContact CG-CD1 4.36Å; E787-L790 WeakPolarHBondContact O-CB 3.47Å; E787-L790 VanDerWaalsContact O-CG 3.22Å; E787-L790 WeakPolarHBondContact O-CG 3.47Å; E787-L790 PolarHBondContact O-N 2.71Å; L790-C792 PolarHBondContact O-N 3.26Å; L790-M793 HydrophobicContact CD2-CG 4.37Å; L790-M793 PolarHBondContact O-N 3.19Å; L790-L814 HydrophobicContact CD2-CD1 4.09Å; L790-K817 HydrophobicContact CB-CD 4.49Å; L790-K817 HydrophobicContact CB-CG 4.16Å; L790-K817 HydrophobicContact CD2-CB 3.79Å; L790-K817 HydrophobicContact CD2-CG 4.01Å; L790-K817 VanDerWaalsContact O-CE 3.3Å; L790-K817 WeakPolarHBondContact O-CE 3.28Å
791P93.8Very high93.3Very high65 Ų6518.4 Ų18.442%0.42210%0.101SC..G310 helixtrans-61.5-24.2178.4-24.936.1000115A762 Q788 L789 H794A762-P791 HydrophobicContact CB-CB 4.32Å; A762-P791 HydrophobicContact CB-CG 4.44Å; Q788-P791 VanDerWaalsContact O-CD 3.25Å; Q788-P791 WeakPolarHBondContact O-CD 3.38Å; L789-P791 VanDerWaalsContact C-N 3.3Å; L789-P791 VanDerWaalsContact O-N 3.12Å; P791-H794 PolarHBondContact O-CE1 2.92Å; P791-H794 VanDerWaalsContact O-CE1 3.23Å; P791-H794 PolarHBondContact O-ND1 3.35Å
792C94.8Very high93.4Very high0 Ų022 Ų220%011%0.114CC..G310 helixtrans-103.17.317873.10000113.8A762 L765 Q766 L789 L790 H794 I795A762-C792 HydrophobicContact CB-CB 4.24Å; L765-C792 HydrophobicContact CB-CB 4.24Å; Q766-C792 HydrophobicContact CB-CB 4.25Å; L789-C792 PolarHBondContact O-N 2.68Å; L789-C792 PolarHBondContact O-SG 3.06Å; L790-C792 PolarHBondContact O-N 3.26Å; C792-H794 PolarHBondContact O-N 2.95Å; C792-I795 HydrophobicContact CB-CD1 4.24Å; C792-I795 HydrophobicContact CB-CG1 4.35Å; C792-I795 WeakPolarHBondContact O-CD1 3.41Å; C792-I795 WeakPolarHBondContact O-CG1 3.29Å; C792-I795 PolarHBondContact O-N 3.31Å
793M95.4Very high93.4Very high0 Ų023.5 Ų23.50%012%0.119CC..G310 helixtrans-67-20.6-176.2-69.6-62.996.300114.3I774 L789 L790 I795 C796 L799 L814 K817 V818 L821I774-M793 HydrophobicContact CD1-CE 4.38Å; L789-M793 HydrophobicContact CB-CE 3.99Å; L789-M793 WeakPolarHBondContact O-CE 3.5Å; L790-M793 HydrophobicContact CD2-CG 4.37Å; L790-M793 PolarHBondContact O-N 3.19Å; M793-I795 PolarHBondContact O-N 2.84Å; M793-C796 HydrophobicContact CE-CB 4.02Å; M793-C796 WeakPolarHBondContact O-CB 3.29Å; M793-C796 PolarHBondContact O-N 3.5Å; M793-C796 HydrophobicContact SD-CB 4.09Å; M793-L799 HydrophobicContact SD-CD2 4.16Å; M793-L814 HydrophobicContact CG-CD1 4.3Å; M793-L814 HydrophobicContact SD-CD1 3.93Å; M793-K817 HydrophobicContact CB-CG 4.35Å; M793-V818 HydrophobicContact CB-CG1 4.24Å; M793-V818 HydrophobicContact CG-CG1 4.37Å; M793-L821 VanDerWaalsContact C-CD1 3.46Å; M793-L821 HydrophobicContact CB-CD1 3.64Å; M793-L821 WeakPolarHBondContact O-CD1 3.36Å
794H93.5Very high93.4Very high81 Ų8121.6 Ų21.638%0.37511%0.109SC..G310 helixtrans-64.7-24.7176.860.8-70.1000113.5Q766 P791 C792 L821 N823Q766-H794 PolarHBondContact O-NE2 2.96Å; Q766-H794 VanDerWaalsContact O-NE2 3.17Å; P791-H794 PolarHBondContact O-CE1 2.92Å; P791-H794 VanDerWaalsContact O-CE1 3.23Å; P791-H794 PolarHBondContact O-ND1 3.35Å; C792-H794 PolarHBondContact O-N 2.95Å; H794-L821 HydrophobicContact CB-CD2 4.24Å; H794-N823 PolarHBondContact O-ND2 3.17Å
795I94.3Very high93.4Very high8 Ų822.2 Ų22.24%0.04111%0.112CC..G310 helixtrans-92.2-4.1173.357.966.3000112.8L765 L768 P771 V772 I774 C792 M793L765-I795 HydrophobicContact CB-CD1 4.38Å; L765-I795 WeakPolarHBondContact O-CG1 3.47Å; L768-I795 HydrophobicContact CB-CB 4.46Å; L768-I795 HydrophobicContact CB-CG1 4.49Å; L768-I795 HydrophobicContact CB-CG2 4.3Å; L768-I795 HydrophobicContact CD1-CD1 4.49Å; L768-I795 WeakPolarHBondContact O-CG2 3.41Å; P771-I795 CarbonylContact C-O 3.39Å; P771-I795 WeakPolarHBondContact CA-O 3.25Å; V772-I795 HydrophobicContact CG1-CD1 3.77Å; V772-I795 PolarHBondContact N-O 3.32Å; I774-I795 HydrophobicContact CD1-CD1 4.03Å; C792-I795 HydrophobicContact CB-CD1 4.24Å; C792-I795 HydrophobicContact CB-CG1 4.35Å; C792-I795 WeakPolarHBondContact O-CD1 3.41Å; C792-I795 WeakPolarHBondContact O-CG1 3.29Å; C792-I795 PolarHBondContact O-N 3.31Å; M793-I795 PolarHBondContact O-N 2.84Å
796C95.2Very high93.5Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans-86.3121-174.1-169.20000110.6V772 I774 M793 S798 F824V772-C796 WeakPolarHBondContact O-CA 3.49Å; I774-C796 HydrophobicContact CD1-CB 4.43Å; M793-C796 HydrophobicContact CE-CB 4.02Å; M793-C796 WeakPolarHBondContact O-CB 3.29Å; M793-C796 PolarHBondContact O-N 3.5Å; M793-C796 HydrophobicContact SD-CB 4.09Å; C796-S798 PolarHBondContact SG-O 2.7Å; C796-S798 VanDerWaalsContact SG-O 3.33Å; C796-F824 HydrophobicContact CB-CD2 4.32Å; C796-F824 WeakPolarHBondContact O-CA 3.35Å
797S95.4Very high93.4Very high23 Ų2324 Ų2416%0.16112%0.123CC..EExtended strand (participates in β ladder)trans-93.6-33.917368.40000113V772 G773 N823 Q825 K826V772-S797 VanDerWaalsContact C-OG 3.32Å; V772-S797 PolarHBondContact O-N 2.99Å; V772-S797 PolarHBondContact O-OG 3.24Å; G773-S797 PolarHBondContact N-OG 3.27Å; S797-N823 VanDerWaalsContact CA-O 3.25Å; S797-N823 WeakPolarHBondContact CA-O 3.25Å; S797-Q825 PolarHBondContact O-N 3.45Å; S797-K826 PolarHBondContact O-N 3.27Å
798S96.4Very high93.6Very high10 Ų1023.3 Ų23.37%0.0712%0.12CC..EExtended strand (participates in β ladder)trans-145.5134.8-176.8-530000108.8G773 I774 C796 K826G773-S798 CarbonylContact C-O 3.57Å; G773-S798 VanDerWaalsContact CA-O 3.29Å; G773-S798 WeakPolarHBondContact CA-O 3.36Å; I774-S798 PolarHBondContact N-O 2.89Å; C796-S798 PolarHBondContact SG-O 2.7Å; C796-S798 VanDerWaalsContact SG-O 3.33Å; S798-K826 CarbonylContact C-O 3.53Å; S798-K826 WeakPolarHBondContact CA-O 3.46Å
799L97.7Very high93.7Very high1 Ų126.6 Ų26.61%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-124.7120.7178.6-175.760.4000110.8I774 M793 L801 L814 F824 K826 I827 A828I774-L799 HydrophobicContact CB-CD1 4.11Å; I774-L799 HydrophobicContact CG2-CD1 4.17Å; I774-L799 WeakPolarHBondContact O-CA 3.41Å; M793-L799 HydrophobicContact SD-CD2 4.16Å; L799-L801 HydrophobicContact CD1-CD1 4.13Å; L799-L801 HydrophobicContact CD1-CG 4.08Å; L799-L801 HydrophobicContact CD2-CD1 3.57Å; L799-L801 HydrophobicContact CD2-CG 4.38Å; L799-L801 HydrophobicContact CG-CD1 3.65Å; L799-L801 HydrophobicContact CG-CG 3.92Å; L799-L814 HydrophobicContact CD2-CD1 4.08Å; L799-L814 HydrophobicContact CD2-CD2 3.87Å; L799-F824 HydrophobicContact CB-CE2 3.71Å; L799-F824 HydrophobicContact CB-CZ 4.07Å; L799-F824 HydrophobicContact CD2-CE2 4.35Å; L799-K826 PolarHBondContact N-O 3.23Å; L799-I827 CarbonylContact O-C 3.3Å; L799-I827 VanDerWaalsContact O-CA 3.32Å; L799-I827 WeakPolarHBondContact O-CA 3.4Å; L799-A828 PolarHBondContact O-N 3.22Å
800Y97.7Very high93.6Very high41 Ų4126.4 Ų26.416%0.16114%0.135CC..EExtended strand (participates in β ladder)trans-113.9118.1177.7-50.2-99.3000108.8H745 I774 Q775 L776 D777 A828H745-Y800 AromaticContact NE2-CD2 3.86Å; H745-Y800 AromaticContact NE2-CE2 3.36Å; H745-Y800 WeakPolarHBondContact NE2-CE2 3.23Å; I774-Y800 PolarHBondContact O-N 2.68Å; Q775-Y800 HydrophobicContact CB-CD2 3.92Å; Q775-Y800 HydrophobicContact CB-CG 4.28Å; Q775-Y800 HydrophobicContact CG-CD2 4.46Å; Q775-Y800 HydrophobicContact CG-CG 4.35Å; L776-Y800 PolarHBondContact N-O 2.98Å; D777-Y800 VanDerWaalsContact OD1-CB 3.31Å; D777-Y800 WeakPolarHBondContact OD1-CB 3.48Å; Y800-A828 HydrophobicContact CD1-CB 3.63Å; Y800-A828 HydrophobicContact CE1-CB 4.32Å; Y800-A828 HydrophobicContact CG-CB 4.4Å
801L96.8Very high93.7Very high0 Ų025.1 Ų25.10%013%0.128CC..  trans-133.945-173.9-74.7166.3000109.4L776 D777 V781 V786 L799 I806 A828 L829 N832L776-L801 HydrophobicContact CB-CD2 3.87Å; L776-L801 HydrophobicContact CD1-CD2 3.99Å; D777-L801 PolarHBondContact OD1-N 3.37Å; V781-L801 HydrophobicContact CB-CD2 4.18Å; V781-L801 HydrophobicContact CG1-CD2 4.02Å; V781-L801 HydrophobicContact CG2-CD2 4Å; V786-L801 HydrophobicContact CG2-CD1 4.09Å; L799-L801 HydrophobicContact CD1-CD1 4.13Å; L799-L801 HydrophobicContact CD1-CG 4.08Å; L799-L801 HydrophobicContact CD2-CD1 3.57Å; L799-L801 HydrophobicContact CD2-CG 4.38Å; L799-L801 HydrophobicContact CG-CD1 3.65Å; L799-L801 HydrophobicContact CG-CG 3.92Å; L801-I806 HydrophobicContact CB-CD1 3.6Å; L801-I806 HydrophobicContact CD1-CD1 3.74Å; L801-I806 HydrophobicContact CD2-CD1 4.16Å; L801-I806 HydrophobicContact CG-CD1 4.05Å; L801-A828 PolarHBondContact N-O 3.4Å; L801-L829 HydrophobicContact CB-CD2 3.84Å; L801-L829 HydrophobicContact CD1-CD2 4.33Å; L801-N832 PolarHBondContact O-ND2 3.09Å
802R92.8Very high93.9Very high74 Ų7425.8 Ų25.828%0.27912%0.122SC..  trans-69.5140.1178.2-55179.2173.2-171.1-7.5109.8D777 N778 N804 F830D777-R802 CarbonylContact C-O 3.59Å; D777-R802 WeakPolarHBondContact CA-O 3.36Å; D777-R802 HydrophobicContact CB-CB 4Å; D777-R802 WeakPolarHBondContact OD1-CB 3.47Å; D777-R802 VanDerWaalsContact OD1-CG 3.22Å; D777-R802 WeakPolarHBondContact OD1-CG 3.46Å; D777-R802 PolarHBondContact OD1-N 3.29Å; N778-R802 PolarHBondContact N-O 3.46Å; R802-N804 PolarHBondContact O-ND2 3.08Å; R802-F830 CarbonylContact C-O 3.55Å; R802-F830 WeakPolarHBondContact CA-O 3.37Å; R802-F830 HydrophobicContact CB-CB 4.17Å; R802-F830 HydrophobicContact CB-CD1 4.49Å; R802-F830 HydrophobicContact CG-CB 3.82Å
803N86.8Confident93.9Very high46 Ų4628.2 Ų28.225%0.24613%0.133CC..SBendtrans52.859.2176.8-162.532.6000112.3N778 N779 F830 N831N778-N803 WeakPolarHBondContact OD1-CB 3.4Å; N778-N803 PolarHBondContact OD1-ND2 3.29Å; N779-N803 VanDerWaalsContact O-O 3.1Å; N803-F830 PolarHBondContact N-O 2.85Å; N803-N831 VanDerWaalsContact CA-O 3.24Å; N803-N831 WeakPolarHBondContact CA-O 3.22Å; N803-N831 HydrophobicContact CB-CB 4.45Å; N803-N831 PolarHBondContact N-O 3.5Å; N803-N831 PolarHBondContact OD1-ND2 3.3Å
804N87.5Confident94Very high0 Ų028.3 Ų28.30%013%0.133CC..SBendtrans-130.911.3-174.4-93-83.1000114.2L776 N779 V781 G782 R802 I806 N832L776-N804 PolarHBondContact O-ND2 3.16Å; N779-N804 WeakPolarHBondContact CB-OD1 3.24Å; N779-N804 PolarHBondContact O-OD1 2.97Å; V781-N804 HydrophobicContact CB-CB 4.28Å; V781-N804 VanDerWaalsContact CB-OD1 3.27Å; V781-N804 WeakPolarHBondContact CB-OD1 3.22Å; V781-N804 WeakPolarHBondContact CG2-OD1 3.26Å; V781-N804 PolarHBondContact N-OD1 3.08Å; V781-N804 VanDerWaalsContact N-OD1 3.16Å; G782-N804 WeakPolarHBondContact CA-O 3.46Å; G782-N804 PolarHBondContact N-O 3.18Å; R802-N804 PolarHBondContact O-ND2 3.08Å; N804-I806 VanDerWaalsContact C-N 3.28Å; N804-I806 HydrophobicContact CB-CD1 3.86Å; N804-I806 HydrophobicContact CB-CG1 4.09Å; N804-I806 PolarHBondContact O-N 3.25Å; N804-N832 PolarHBondContact N-OD1 3.01Å
805N85.4Confident94.2Very high27 Ų2724.5 Ų24.514%0.14412%0.116CC..  trans60.232.5174.9-148.440.7000114.9N832 R833N805-N832 PolarHBondContact N-OD1 3.23Å; N805-N832 VanDerWaalsContact N-OD1 3.1Å; N805-R833 PolarHBondContact ND2-NH2 3.47Å; N805-R833 PolarHBondContact OD1-NE 3.34Å; N805-R833 PolarHBondContact OD1-NH2 2.97Å
806I91.8Very high94.2Very high0 Ų027.9 Ų27.90%013%0.134CC..  trans-85139.3-177.2-61.7162.5000110.3V786 L801 N804 I811 L829 N832 R833 L834V786-I806 HydrophobicContact CG2-CD1 3.78Å; V786-I806 HydrophobicContact CG2-CG1 3.99Å; V786-I806 HydrophobicContact CG2-CG2 4.39Å; L801-I806 HydrophobicContact CB-CD1 3.6Å; L801-I806 HydrophobicContact CD1-CD1 3.74Å; L801-I806 HydrophobicContact CD2-CD1 4.16Å; L801-I806 HydrophobicContact CG-CD1 4.05Å; N804-I806 VanDerWaalsContact C-N 3.28Å; N804-I806 HydrophobicContact CB-CD1 3.86Å; N804-I806 HydrophobicContact CB-CG1 4.09Å; N804-I806 PolarHBondContact O-N 3.25Å; I806-I811 HydrophobicContact CG2-CD1 3.81Å; I806-I811 HydrophobicContact CG2-CG1 3.95Å; I806-L829 HydrophobicContact CD1-CD2 3.96Å; I806-N832 HydrophobicContact CB-CB 4.43Å; I806-N832 PolarHBondContact N-OD1 3.23Å; I806-R833 CarbonylContact O-C 3.56Å; I806-R833 WeakPolarHBondContact O-CA 3.29Å; I806-R833 PolarHBondContact O-N 2.85Å; I806-L834 HydrophobicContact CG2-CD2 4.4Å
807T93Very high94.2Very high41 Ų4132.4 Ų32.425%0.25215%0.153SC..BIsolated β-bridgetrans-107.5179176.483.80000111.7D783 E809 G810 I811 R833D783-T807 VanDerWaalsContact CG-OG1 3.3Å; D783-T807 PolarHBondContact OD1-N 3.4Å; D783-T807 PolarHBondContact OD1-OG1 3.07Å; D783-T807 WeakPolarHBondContact OD2-CB 3.43Å; D783-T807 WeakPolarHBondContact OD2-CG2 3.42Å; D783-T807 PolarHBondContact OD2-OG1 3.24Å; T807-E809 PolarHBondContact O-N 3.42Å; T807-E809 PolarHBondContact OG1-N 2.91Å; T807-G810 PolarHBondContact O-N 3.31Å; T807-I811 PolarHBondContact O-N 3.44Å; T807-R833 HydrophobicContact CG2-CB 4.21Å
808D95.9Very high94.2Very high30 Ų3031.3 Ų31.316%0.1615%0.146CC..Hα-helixtrans-58.3-29.8177.5-57.1-38.6000113I811 R812 L834 T835 A837 C838D808-I811 PolarHBondContact O-N 3.22Å; D808-R812 WeakPolarHBondContact O-CB 3.32Å; D808-R812 PolarHBondContact O-N 3.35Å; D808-L834 WeakPolarHBondContact OD1-CA 3.3Å; D808-T835 PolarHBondContact OD1-N 3.17Å; D808-T835 WeakPolarHBondContact OD2-CB 3.35Å; D808-T835 PolarHBondContact OD2-OG1 3.35Å; D808-A837 HydrophobicContact CB-CB 4.34Å; D808-C838 HydrophobicContact CB-CB 4.05Å; D808-C838 WeakPolarHBondContact OD1-CB 3.15Å; D808-C838 PolarHBondContact OD1-N 3.08Å
809E92.6Very high94.2Very high80 Ų8031.3 Ų31.337%0.37415%0.145SC..Hα-helixtrans-71.3-43-179178.557.9-166.300112.1T807 I811 R812 K813T807-E809 PolarHBondContact O-N 3.42Å; T807-E809 PolarHBondContact OG1-N 2.91Å; E809-I811 VanDerWaalsContact C-N 3.29Å; E809-I811 PolarHBondContact O-N 2.92Å; E809-R812 WeakPolarHBondContact O-CB 3.47Å; E809-R812 PolarHBondContact O-N 3.46Å; E809-R812 IonicContact OE1-CZ 3.48Å; E809-R812 IonicContact OE1-NE 2.79Å; E809-R812 PolarHBondContact OE1-NE 3.4Å; E809-R812 IonicContact OE1-NH2 3.76Å; E809-R812 PolarHBondContact OE1-NH2 2.71Å; E809-R812 IonicContact OE2-CZ 3.59Å; E809-R812 IonicContact OE2-NE 3.89Å; E809-R812 PolarHBondContact OE2-NE 2.84Å; E809-R812 IonicContact OE2-NH2 3.36Å; E809-K813 PolarHBondContact O-N 3.26Å; E809-K813 VanDerWaalsContact O-N 3.13Å; E809-K813 WeakPolarHBondContact OE1-CE 3.43Å
810G94Very high93.8Very high0 Ų038.4 Ų38.40%018%0.178CC..Hα-helixtrans-59.9-41.617300000111.7D783 V786 T807 K813 L814D783-G810 WeakPolarHBondContact OD1-CA 3.33Å; D783-G810 PolarHBondContact OD1-N 3.09Å; V786-G810 WeakPolarHBondContact CG1-O 3.39Å; T807-G810 PolarHBondContact O-N 3.31Å; G810-K813 PolarHBondContact O-N 3.29Å; G810-L814 WeakPolarHBondContact O-CB 3.39Å; G810-L814 PolarHBondContact O-N 2.73Å
811I97.5Very high93.6Very high0 Ų038 Ų380%018%0.178CC..Hα-helixtrans-66.8-40177.2-64.9-49.1000112.7I806 T807 D808 E809 L814 I815 L829 L834 C838 F842I806-I811 HydrophobicContact CG2-CD1 3.81Å; I806-I811 HydrophobicContact CG2-CG1 3.95Å; T807-I811 PolarHBondContact O-N 3.44Å; D808-I811 PolarHBondContact O-N 3.22Å; E809-I811 VanDerWaalsContact C-N 3.29Å; E809-I811 PolarHBondContact O-N 2.92Å; I811-L814 HydrophobicContact CD1-CD2 4.43Å; I811-L814 PolarHBondContact O-N 3.07Å; I811-I815 HydrophobicContact CG2-CD1 3.58Å; I811-I815 HydrophobicContact CG2-CG1 4.2Å; I811-I815 WeakPolarHBondContact O-CB 3.41Å; I811-I815 WeakPolarHBondContact O-CG1 3.28Å; I811-I815 PolarHBondContact O-N 2.79Å; I811-L829 HydrophobicContact CD1-CD1 3.43Å; I811-L829 VanDerWaalsContact CD1-CD1 3.43Å; I811-L829 HydrophobicContact CD1-CD2 3.74Å; I811-L829 HydrophobicContact CD1-CG 4.22Å; I811-L829 HydrophobicContact CG1-CD1 4.22Å; I811-L834 HydrophobicContact CD1-CD2 4.42Å; I811-L834 HydrophobicContact CG1-CD1 4.32Å; I811-L834 HydrophobicContact CG1-CD2 3.45Å; I811-L834 VanDerWaalsContact CG1-CD2 3.45Å; I811-C838 HydrophobicContact CB-CB 4.4Å; I811-C838 HydrophobicContact CG2-CB 4.14Å; I811-F842 HydrophobicContact CG2-CD2 4.45Å; I811-F842 HydrophobicContact CG2-CE1 4.34Å; I811-F842 HydrophobicContact CG2-CE2 3.63Å; I811-F842 HydrophobicContact CG2-CZ 3.54Å
812R97.2Very high93.1Very high79 Ų7943.9 Ų43.930%0.29821%0.206SC..Hα-helixtrans-55.2-55.1173.7179.2-172.773.971.2-5.6110.5D808 E809 L814 I815 D816 H841D808-R812 WeakPolarHBondContact O-CB 3.32Å; D808-R812 PolarHBondContact O-N 3.35Å; E809-R812 WeakPolarHBondContact O-CB 3.47Å; E809-R812 PolarHBondContact O-N 3.46Å; E809-R812 IonicContact OE1-CZ 3.48Å; E809-R812 IonicContact OE1-NE 2.79Å; E809-R812 PolarHBondContact OE1-NE 3.4Å; E809-R812 IonicContact OE1-NH2 3.76Å; E809-R812 PolarHBondContact OE1-NH2 2.71Å; E809-R812 IonicContact OE2-CZ 3.59Å; E809-R812 IonicContact OE2-NE 3.89Å; E809-R812 PolarHBondContact OE2-NE 2.84Å; E809-R812 IonicContact OE2-NH2 3.36Å; R812-L814 VanDerWaalsContact C-N 3.31Å; R812-L814 PolarHBondContact O-N 3.11Å; R812-I815 PolarHBondContact O-N 3.02Å; R812-D816 IonicContact NH1-OD2 3.53Å; R812-D816 PolarHBondContact NH1-OD2 3.31Å; R812-D816 WeakPolarHBondContact O-CB 3.05Å; R812-D816 PolarHBondContact O-N 2.79Å; R812-H841 VanDerWaalsContact CG-CE1 3.45Å; R812-H841 WeakPolarHBondContact CG-CE1 3.33Å
813K95.3Very high93.1Very high52 Ų5243.7 Ų43.723%0.22621%0.21CC..Hα-helixtrans-59.3-41.4-179.8-66.7-173.9-177-167.40112.2E787 E809 G810 K817E787-K813 HydrophobicContact CB-CD 4.35Å; E787-K813 HydrophobicContact CG-CD 4.34Å; E787-K813 IonicContact OE1-NZ 3.15Å; E787-K813 PolarHBondContact OE1-NZ 2.9Å; E787-K813 IonicContact OE2-NZ 2.72Å; E787-K813 PolarHBondContact OE2-NZ 3.42Å; E809-K813 PolarHBondContact O-N 3.26Å; E809-K813 VanDerWaalsContact O-N 3.13Å; E809-K813 WeakPolarHBondContact OE1-CE 3.43Å; G810-K813 PolarHBondContact O-N 3.29Å; K813-K817 PolarHBondContact O-N 3.38Å
814L97.3Very high93.5Very high1 Ų141.5 Ų41.51%0.00520%0.199CC..Hα-helixtrans-62.3-49.2177-179.862.9000111.9V786 L790 M793 L799 G810 I811 R812 K817 V818 I827V786-L814 HydrophobicContact CG1-CB 3.73Å; V786-L814 HydrophobicContact CG1-CD1 4.38Å; V786-L814 HydrophobicContact CG1-CD2 4.4Å; V786-L814 HydrophobicContact CG1-CG 4.39Å; L790-L814 HydrophobicContact CD2-CD1 4.09Å; M793-L814 HydrophobicContact CG-CD1 4.3Å; M793-L814 HydrophobicContact SD-CD1 3.93Å; L799-L814 HydrophobicContact CD2-CD1 4.08Å; L799-L814 HydrophobicContact CD2-CD2 3.87Å; G810-L814 WeakPolarHBondContact O-CB 3.39Å; G810-L814 PolarHBondContact O-N 2.73Å; I811-L814 HydrophobicContact CD1-CD2 4.43Å; I811-L814 PolarHBondContact O-N 3.07Å; R812-L814 VanDerWaalsContact C-N 3.31Å; R812-L814 PolarHBondContact O-N 3.11Å; L814-K817 WeakPolarHBondContact O-CB 3.48Å; L814-K817 PolarHBondContact O-N 2.87Å; L814-K817 VanDerWaalsContact O-N 3.17Å; L814-V818 HydrophobicContact CD1-CG1 3.86Å; L814-V818 HydrophobicContact CG-CG1 4.37Å; L814-V818 WeakPolarHBondContact O-CG1 3.47Å; L814-V818 VanDerWaalsContact O-CG2 3.32Å; L814-V818 WeakPolarHBondContact O-CG2 3.39Å; L814-V818 PolarHBondContact O-N 3.03Å; L814-I827 HydrophobicContact CD2-CD1 3.62Å
815I97.1Very high94Very high2 Ų244.6 Ų44.61%0.0121%0.213CC..Hα-helixtrans-65.7-42.3-178.2-70.2175.1000110.8I811 R812 K817 V818 I819 H841 F842 L845I811-I815 HydrophobicContact CG2-CD1 3.58Å; I811-I815 HydrophobicContact CG2-CG1 4.2Å; I811-I815 WeakPolarHBondContact O-CB 3.41Å; I811-I815 WeakPolarHBondContact O-CG1 3.28Å; I811-I815 PolarHBondContact O-N 2.79Å; R812-I815 PolarHBondContact O-N 3.02Å; I815-K817 PolarHBondContact O-N 3.23Å; I815-V818 PolarHBondContact O-N 3.34Å; I815-I819 WeakPolarHBondContact O-CB 3.46Å; I815-I819 PolarHBondContact O-N 3.28Å; I815-H841 HydrophobicContact CB-CB 4.33Å; I815-H841 HydrophobicContact CD1-CB 3.55Å; I815-H841 HydrophobicContact CG2-CB 4.25Å; I815-F842 HydrophobicContact CD1-CD1 3.59Å; I815-F842 HydrophobicContact CD1-CD2 4.43Å; I815-F842 HydrophobicContact CD1-CE1 3.62Å; I815-F842 HydrophobicContact CD1-CE2 4.46Å; I815-F842 HydrophobicContact CD1-CG 4Å; I815-F842 HydrophobicContact CD1-CZ 4.06Å; I815-F842 HydrophobicContact CG1-CE1 4.45Å; I815-L845 HydrophobicContact CG2-CB 4.23Å
816D95.8Very high94.5Very high78 Ų7845.9 Ų45.942%0.41722%0.217SC..Hα-helixtrans-55.1-34.8175.2-69.3-15.7000111.3R812 I819R812-D816 IonicContact NH1-OD2 3.53Å; R812-D816 PolarHBondContact NH1-OD2 3.31Å; R812-D816 WeakPolarHBondContact O-CB 3.05Å; R812-D816 PolarHBondContact O-N 2.79Å; D816-I819 WeakPolarHBondContact O-CG2 3.3Å
817K95.4Very high94.8Very high95 Ų9546 Ų4641%0.41322%0.218SC..Hα-helixtrans-78.4-46.9175.2-175.265.9172.9-173.90113.5L790 M793 K813 L814 I815L790-K817 HydrophobicContact CB-CD 4.49Å; L790-K817 HydrophobicContact CB-CG 4.16Å; L790-K817 HydrophobicContact CD2-CB 3.79Å; L790-K817 HydrophobicContact CD2-CG 4.01Å; L790-K817 VanDerWaalsContact O-CE 3.3Å; L790-K817 WeakPolarHBondContact O-CE 3.28Å; M793-K817 HydrophobicContact CB-CG 4.35Å; K813-K817 PolarHBondContact O-N 3.38Å; L814-K817 WeakPolarHBondContact O-CB 3.48Å; L814-K817 PolarHBondContact O-N 2.87Å; L814-K817 VanDerWaalsContact O-N 3.17Å; I815-K817 PolarHBondContact O-N 3.23Å
818V95.4Very high95.1Very high1 Ų144 Ų441%0.00621%0.206CC..Hα-helixtrans-81.3-15.1-169.8-60.70000114.1M793 L814 I815 H820 L821 F824 L845M793-V818 HydrophobicContact CB-CG1 4.24Å; M793-V818 HydrophobicContact CG-CG1 4.37Å; L814-V818 HydrophobicContact CD1-CG1 3.86Å; L814-V818 HydrophobicContact CG-CG1 4.37Å; L814-V818 WeakPolarHBondContact O-CG1 3.47Å; L814-V818 VanDerWaalsContact O-CG2 3.32Å; L814-V818 WeakPolarHBondContact O-CG2 3.39Å; L814-V818 PolarHBondContact O-N 3.03Å; I815-V818 PolarHBondContact O-N 3.34Å; V818-H820 PolarHBondContact O-N 2.85Å; V818-H820 VanDerWaalsContact O-N 3.08Å; V818-L821 HydrophobicContact CB-CD1 4.46Å; V818-L821 HydrophobicContact CG1-CD1 4.26Å; V818-L821 PolarHBondContact O-N 3.37Å; V818-F824 HydrophobicContact CB-CB 4.29Å; V818-F824 HydrophobicContact CB-CD1 3.9Å; V818-F824 HydrophobicContact CB-CD2 4.47Å; V818-F824 HydrophobicContact CB-CE1 4.33Å; V818-F824 HydrophobicContact CB-CG 3.97Å; V818-F824 HydrophobicContact CG1-CD1 4.26Å; V818-F824 HydrophobicContact CG1-CD2 4.04Å; V818-F824 HydrophobicContact CG1-CE1 4.43Å; V818-F824 HydrophobicContact CG1-CE2 4.21Å; V818-F824 HydrophobicContact CG1-CG 4.06Å; V818-F824 HydrophobicContact CG1-CZ 4.41Å; V818-F824 HydrophobicContact CG2-CD1 3.85Å; V818-F824 HydrophobicContact CG2-CE1 3.93Å; V818-F824 HydrophobicContact CG2-CG 4.43Å; V818-L845 HydrophobicContact CG2-CD1 4.38Å
819I94.5Very high95.1Very high10 Ų1042.6 Ų42.65%0.05120%0.198CC..THydrogen-bonded Turntrans-56.5-28.3-178.9-163.271.4000112.9I815 D816 Y844 L845 T848 R849I815-I819 WeakPolarHBondContact O-CB 3.46Å; I815-I819 PolarHBondContact O-N 3.28Å; D816-I819 WeakPolarHBondContact O-CG2 3.3Å; I819-Y844 HydrophobicContact CD1-CD1 3.98Å; I819-Y844 HydrophobicContact CD1-CE1 3.88Å; I819-Y844 HydrophobicContact CG1-CD1 4.38Å; I819-Y844 HydrophobicContact CG1-CE1 3.8Å; I819-L845 HydrophobicContact CD1-CB 4.4Å; I819-L845 HydrophobicContact CD1-CD1 3.83Å; I819-T848 HydrophobicContact CD1-CG2 3.96Å; I819-T848 HydrophobicContact CG1-CG2 4.04Å; I819-R849 HydrophobicContact CD1-CG 4.18Å; I819-R849 VanDerWaalsContact O-CD 3.29Å; I819-R849 WeakPolarHBondContact O-CD 3.3Å
820H90.9Very high95.2Very high149 Ų14941.7 Ų41.769%0.6919%0.193SC*.THydrogen-bonded Turntrans-94.5-4.6179.1-57.8-59.6000113.6V818V818-H820 PolarHBondContact O-N 2.85Å; V818-H820 VanDerWaalsContact O-N 3.08Å
821L91.8Very high95.1Very high33 Ų3343.2 Ų43.217%0.17320%0.202CC..  trans-97.8108.6-170.3-57.2-178.4000111.3M793 H794 V818 N823 F824 R849M793-L821 VanDerWaalsContact C-CD1 3.46Å; M793-L821 HydrophobicContact CB-CD1 3.64Å; M793-L821 WeakPolarHBondContact O-CD1 3.36Å; H794-L821 HydrophobicContact CB-CD2 4.24Å; V818-L821 HydrophobicContact CB-CD1 4.46Å; V818-L821 HydrophobicContact CG1-CD1 4.26Å; V818-L821 PolarHBondContact O-N 3.37Å; L821-N823 PolarHBondContact O-N 2.89Å; L821-F824 HydrophobicContact CB-CB 4.49Å; L821-F824 PolarHBondContact O-N 2.92Å; L821-R849 PolarHBondContact O-NH2 3.12Å
822Q88.3Confident94.9Very high123 Ų12344 Ų4458%0.57521%0.205SC*.THydrogen-bonded Turntrans-61.8-31-174.5-66.4-62.5-1500113.9F824 R849 N851Q822-F824 PolarHBondContact O-N 3.39Å; Q822-R849 VanDerWaalsContact CD-NH1 3.28Å; Q822-R849 PolarHBondContact O-NH2 3.05Å; Q822-R849 VanDerWaalsContact O-NH2 3.14Å; Q822-N851 PolarHBondContact O-ND2 2.99Å
823N91.7Very high94.6Very high70 Ų7044.5 Ų44.537%0.37421%0.208SC..THydrogen-bonded Turntrans-73.9-24.2-176-63.5-30.4000113.5P771 H794 S797 L821 Q825P771-N823 HydrophobicContact CB-CB 4.3Å; P771-N823 HydrophobicContact CG-CB 4.3Å; H794-N823 PolarHBondContact O-ND2 3.17Å; S797-N823 VanDerWaalsContact CA-O 3.25Å; S797-N823 WeakPolarHBondContact CA-O 3.25Å; L821-N823 PolarHBondContact O-N 2.89Å; N823-Q825 WeakPolarHBondContact O-CG 3.29Å; N823-Q825 PolarHBondContact O-N 3.31Å
824F95.9Very high94.6Very high1 Ų142 Ų420%0.00420%0.197CC..  trans-77.9111.2-172.7-168.5-96.4000111.1C796 L799 V818 L821 Q822 I827 F852C796-F824 HydrophobicContact CB-CD2 4.32Å; C796-F824 WeakPolarHBondContact O-CA 3.35Å; L799-F824 HydrophobicContact CB-CE2 3.71Å; L799-F824 HydrophobicContact CB-CZ 4.07Å; L799-F824 HydrophobicContact CD2-CE2 4.35Å; V818-F824 HydrophobicContact CB-CB 4.29Å; V818-F824 HydrophobicContact CB-CD1 3.9Å; V818-F824 HydrophobicContact CB-CD2 4.47Å; V818-F824 HydrophobicContact CB-CE1 4.33Å; V818-F824 HydrophobicContact CB-CG 3.97Å; V818-F824 HydrophobicContact CG1-CD1 4.26Å; V818-F824 HydrophobicContact CG1-CD2 4.04Å; V818-F824 HydrophobicContact CG1-CE1 4.43Å; V818-F824 HydrophobicContact CG1-CE2 4.21Å; V818-F824 HydrophobicContact CG1-CG 4.06Å; V818-F824 HydrophobicContact CG1-CZ 4.41Å; V818-F824 HydrophobicContact CG2-CD1 3.85Å; V818-F824 HydrophobicContact CG2-CE1 3.93Å; V818-F824 HydrophobicContact CG2-CG 4.43Å; L821-F824 HydrophobicContact CB-CB 4.49Å; L821-F824 PolarHBondContact O-N 2.92Å; Q822-F824 PolarHBondContact O-N 3.39Å; F824-I827 HydrophobicContact CE1-CB 4.31Å; F824-I827 HydrophobicContact CZ-CB 4.09Å; F824-I827 HydrophobicContact CZ-CD1 4.12Å; F824-I827 HydrophobicContact CZ-CG1 4.21Å; F824-F852 HydrophobicContact CD1-CD2 4.39Å; F824-F852 AromaticContact CD1-CE2 3.87Å; F824-F852 HydrophobicContact CD1-CE2 3.87Å; F824-F852 AromaticContact CE1-CE2 3.79Å; F824-F852 HydrophobicContact CE1-CE2 3.79Å
825Q96.6Very high94.6Very high64 Ų6444.5 Ų44.530%0.29921%0.212SC..  trans-123.8-19.9-170.1-67.4-176.7-24.300114.2S797 N823 N851 F852 L853 S854S797-Q825 PolarHBondContact O-N 3.45Å; N823-Q825 WeakPolarHBondContact O-CG 3.29Å; N823-Q825 PolarHBondContact O-N 3.31Å; Q825-N851 WeakPolarHBondContact CG-O 3.43Å; Q825-F852 VanDerWaalsContact C-CD2 3.45Å; Q825-F852 VanDerWaalsContact C-CE2 3.43Å; Q825-F852 VanDerWaalsContact O-CD2 3.31Å; Q825-F852 WeakPolarHBondContact O-CD2 3.27Å; Q825-F852 WeakPolarHBondContact O-CE2 3.34Å; Q825-L853 HydrophobicContact CB-CD1 4.32Å; Q825-L853 HydrophobicContact CB-CG 4.26Å; Q825-L853 PolarHBondContact O-N 3.36Å; Q825-S854 PolarHBondContact O-N 3Å
826K97.8Very high94.6Very high54 Ų5445.7 Ų45.724%0.23522%0.218CC..EExtended strand (participates in β ladder)trans-140.9136.4-171.8-51-174.5-175.7-179.90111.5S797 S798 L799 S854S797-K826 PolarHBondContact O-N 3.27Å; S798-K826 CarbonylContact C-O 3.53Å; S798-K826 WeakPolarHBondContact CA-O 3.46Å; L799-K826 PolarHBondContact N-O 3.23Å; K826-S854 WeakPolarHBondContact CA-O 3.48Å
827I97.9Very high94.7Very high3 Ų344.1 Ų44.12%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-135.4139.4171.2-159.1172.3000111.4L799 L814 F824 L829 F842 F852 S854 L855 R856L799-I827 CarbonylContact O-C 3.3Å; L799-I827 VanDerWaalsContact O-CA 3.32Å; L799-I827 WeakPolarHBondContact O-CA 3.4Å; L814-I827 HydrophobicContact CD2-CD1 3.62Å; F824-I827 HydrophobicContact CE1-CB 4.31Å; F824-I827 HydrophobicContact CZ-CB 4.09Å; F824-I827 HydrophobicContact CZ-CD1 4.12Å; F824-I827 HydrophobicContact CZ-CG1 4.21Å; I827-L829 HydrophobicContact CD1-CD1 3.63Å; I827-L829 HydrophobicContact CD1-CG 4.18Å; I827-L829 HydrophobicContact CG1-CD1 3.97Å; I827-L829 HydrophobicContact CG1-CG 4.07Å; I827-F842 HydrophobicContact CD1-CE1 4.4Å; I827-F842 HydrophobicContact CG2-CE1 4.06Å; I827-F852 HydrophobicContact CB-CZ 4.25Å; I827-F852 HydrophobicContact CG2-CZ 3.76Å; I827-S854 PolarHBondContact N-O 3.46Å; I827-L855 HydrophobicContact CG2-CD1 3.49Å; I827-L855 VanDerWaalsContact CG2-CD1 3.49Å; I827-R856 PolarHBondContact O-N 3.48Å; I827-R856 VanDerWaalsContact O-N 3.08Å
828A98Very high94.8Very high0 Ų039.6 Ų39.60%020%0.197CC..EExtended strand (participates in β ladder)trans-132.1123172.700000111.4L799 Y800 L801 R856L799-A828 PolarHBondContact O-N 3.22Å; Y800-A828 HydrophobicContact CD1-CB 3.63Å; Y800-A828 HydrophobicContact CE1-CB 4.32Å; Y800-A828 HydrophobicContact CG-CB 4.4Å; L801-A828 PolarHBondContact N-O 3.4Å; A828-R856 HydrophobicContact CB-CB 4.08Å
829L97.3Very high94.9Very high0 Ų039.6 Ų39.60%020%0.196CC..  trans-131.336.1-171.7-68.8159.5000111.5L801 I806 I811 I827 N831 N832 L834 F842 R856 L857 N860L801-L829 HydrophobicContact CB-CD2 3.84Å; L801-L829 HydrophobicContact CD1-CD2 4.33Å; I806-L829 HydrophobicContact CD1-CD2 3.96Å; I811-L829 HydrophobicContact CD1-CD1 3.43Å; I811-L829 VanDerWaalsContact CD1-CD1 3.43Å; I811-L829 HydrophobicContact CD1-CD2 3.74Å; I811-L829 HydrophobicContact CD1-CG 4.22Å; I811-L829 HydrophobicContact CG1-CD1 4.22Å; I827-L829 HydrophobicContact CD1-CD1 3.63Å; I827-L829 HydrophobicContact CD1-CG 4.18Å; I827-L829 HydrophobicContact CG1-CD1 3.97Å; I827-L829 HydrophobicContact CG1-CG 4.07Å; L829-N831 PolarHBondContact O-N 3.06Å; L829-N832 VanDerWaalsContact C-ND2 3.25Å; L829-N832 PolarHBondContact O-ND2 3.07Å; L829-L834 HydrophobicContact CB-CD1 3.84Å; L829-L834 HydrophobicContact CD1-CD1 3.93Å; L829-L834 HydrophobicContact CG-CD1 4.41Å; L829-F842 HydrophobicContact CD1-CE1 4.46Å; L829-F842 HydrophobicContact CD1-CE2 4.42Å; L829-F842 HydrophobicContact CD1-CZ 3.61Å; L829-R856 PolarHBondContact N-O 2.97Å; L829-L857 HydrophobicContact CB-CD2 4.15Å; L829-L857 HydrophobicContact CD1-CD2 3.83Å; L829-N860 PolarHBondContact O-ND2 3.08Å
830F94.5Very high95Very high60 Ų6044.7 Ų44.726%0.26322%0.218SC..  trans-59.5138.4179.3172.4-97.8000111.6R802 N803 N832 G858 N859 W886R802-F830 CarbonylContact C-O 3.55Å; R802-F830 WeakPolarHBondContact CA-O 3.37Å; R802-F830 HydrophobicContact CB-CB 4.17Å; R802-F830 HydrophobicContact CB-CD1 4.49Å; R802-F830 HydrophobicContact CG-CB 3.82Å; N803-F830 PolarHBondContact N-O 2.85Å; F830-N832 PolarHBondContact O-ND2 3.41Å; F830-G858 CarbonylContact C-O 3.58Å; F830-G858 WeakPolarHBondContact CA-O 3.39Å; F830-G858 WeakPolarHBondContact CD2-O 3.33Å; F830-N859 HydrophobicContact CD2-CB 3.71Å; F830-N859 HydrophobicContact CE2-CB 3.23Å; F830-N859 HydrophobicContact CZ-CB 3.75Å; F830-W886 HydrophobicContact CB-CZ2 4.07Å; F830-W886 AromaticContact CD2-CE2 3.49Å; F830-W886 VanDerWaalsContact CD2-CE2 3.49Å; F830-W886 AromaticContact CD2-CZ2 3.54Å; F830-W886 HydrophobicContact CD2-CZ2 3.54Å; F830-W886 AromaticContact CD2-NE1 3.05Å; F830-W886 AromaticContact CE2-CD1 3.74Å; F830-W886 AromaticContact CE2-CE2 3.9Å; F830-W886 HydrophobicContact CE2-CZ2 4.31Å; F830-W886 AromaticContact CE2-NE1 2.97Å; F830-W886 HydrophobicContact CG-CZ2 4.06Å
831N91.3Very high95.3Very high33 Ų3339 Ų3918%0.17619%0.192CC..SBendtrans58.262.7177-159.145000113.1N803 L829 G858 N859N803-N831 VanDerWaalsContact CA-O 3.24Å; N803-N831 WeakPolarHBondContact CA-O 3.22Å; N803-N831 HydrophobicContact CB-CB 4.45Å; N803-N831 PolarHBondContact N-O 3.5Å; N803-N831 PolarHBondContact OD1-ND2 3.3Å; L829-N831 PolarHBondContact O-N 3.06Å; N831-G858 PolarHBondContact N-O 3.41Å; N831-N859 WeakPolarHBondContact CA-O 3.45Å; N831-N859 HydrophobicContact CB-CB 4.44Å; N831-N859 PolarHBondContact N-O 2.98Å; N831-N859 PolarHBondContact OD1-ND2 3.34Å
832N92.6Very high95.6Very high15 Ų1537.4 Ų37.48%0.0818%0.183CC..SBendtrans-128.6-170.5173.8-78.2-72.7000109.8L801 N804 N805 I806 L829 F830 L834 N860L801-N832 PolarHBondContact O-ND2 3.09Å; N804-N832 PolarHBondContact N-OD1 3.01Å; N805-N832 PolarHBondContact N-OD1 3.23Å; N805-N832 VanDerWaalsContact N-OD1 3.1Å; I806-N832 HydrophobicContact CB-CB 4.43Å; I806-N832 PolarHBondContact N-OD1 3.23Å; L829-N832 VanDerWaalsContact C-ND2 3.25Å; L829-N832 PolarHBondContact O-ND2 3.07Å; F830-N832 PolarHBondContact O-ND2 3.41Å; N832-L834 HydrophobicContact CB-CG 4.12Å; N832-N860 WeakPolarHBondContact CA-OD1 3.34Å; N832-N860 WeakPolarHBondContact CB-OD1 3.48Å; N832-N860 PolarHBondContact N-OD1 2.88Å; N832-N860 PolarHBondContact O-OD1 3.05Å
833R90.6Very high96.1Very high91 Ų9131.7 Ų31.734%0.34316%0.157SC..BIsolated β-bridgetrans-103.438-178.9-59-174.1-175.3-175.15.7111.8Y257 N805 I806 T807Y257-R833 VanDerWaalsContact CD2-NH2 3.3Å; N805-R833 PolarHBondContact ND2-NH2 3.47Å; N805-R833 PolarHBondContact OD1-NE 3.34Å; N805-R833 PolarHBondContact OD1-NH2 2.97Å; I806-R833 CarbonylContact O-C 3.56Å; I806-R833 WeakPolarHBondContact O-CA 3.29Å; I806-R833 PolarHBondContact O-N 2.85Å; T807-R833 HydrophobicContact CG2-CB 4.21Å
834L96.1Very high96.4Very high0 Ų034.2 Ų34.20%016%0.163CC..  trans-79.7137.8-178.7-52.6-177.9000110.3I806 D808 I811 L829 N832 L857 N860 N861I806-L834 HydrophobicContact CG2-CD2 4.4Å; D808-L834 WeakPolarHBondContact OD1-CA 3.3Å; I811-L834 HydrophobicContact CD1-CD2 4.42Å; I811-L834 HydrophobicContact CG1-CD1 4.32Å; I811-L834 HydrophobicContact CG1-CD2 3.45Å; I811-L834 VanDerWaalsContact CG1-CD2 3.45Å; L829-L834 HydrophobicContact CB-CD1 3.84Å; L829-L834 HydrophobicContact CD1-CD1 3.93Å; L829-L834 HydrophobicContact CG-CD1 4.41Å; N832-L834 HydrophobicContact CB-CG 4.12Å; L834-L857 HydrophobicContact CD1-CD2 4.1Å; L834-N860 HydrophobicContact CB-CB 4.05Å; L834-N860 WeakPolarHBondContact CB-OD1 3.43Å; L834-N860 WeakPolarHBondContact CG-OD1 3.45Å; L834-N860 PolarHBondContact N-OD1 2.88Å; L834-N861 WeakPolarHBondContact O-CA 3.23Å; L834-N861 WeakPolarHBondContact O-CB 3.41Å; L834-N861 PolarHBondContact O-N 3.46Å
835T97.3Very high96.4Very high52 Ų5234.2 Ų34.232%0.31916%0.163SC..BIsolated β-bridgetrans-119.4-177.1176.682.90000110.6D808 A837 C838 N861D808-T835 PolarHBondContact OD1-N 3.17Å; D808-T835 WeakPolarHBondContact OD2-CB 3.35Å; D808-T835 PolarHBondContact OD2-OG1 3.35Å; T835-A837 PolarHBondContact O-N 3.35Å; T835-A837 PolarHBondContact OG1-N 3.48Å; T835-A837 VanDerWaalsContact OG1-N 3.16Å; T835-C838 PolarHBondContact O-N 2.91Å; T835-C838 PolarHBondContact O-SG 2.82Å; T835-N861 HydrophobicContact CG2-CB 4.48Å
836D98.1Very high96.4Very high27 Ų2731.2 Ų31.214%0.14415%0.149CC..Hα-helixtrans-52.4-28172-64.6-27.7000113C838 T839 T863 G866 Q869D836-C838 VanDerWaalsContact C-N 3.3Å; D836-C838 PolarHBondContact O-N 3.28Å; D836-T839 WeakPolarHBondContact O-CB 3.49Å; D836-T839 PolarHBondContact O-N 2.95Å; D836-T839 VanDerWaalsContact O-N 3.11Å; D836-T839 PolarHBondContact O-OG1 3.03Å; D836-T863 PolarHBondContact OD1-N 2.76Å; D836-T863 PolarHBondContact OD1-OG1 3.24Å; D836-T863 PolarHBondContact OD2-OG1 3.4Å; D836-G866 VanDerWaalsContact OD1-CA 3.23Å; D836-G866 WeakPolarHBondContact OD1-CA 3.4Å; D836-G866 PolarHBondContact OD1-N 2.77Å; D836-Q869 PolarHBondContact O-OE1 2.74Å
837A97.1Very high96.3Very high46 Ų4632.5 Ų32.538%0.3815%0.154SC..Hα-helixtrans-65-28.6-176.700000113.8D808 T835 T839 K840D808-A837 HydrophobicContact CB-CB 4.34Å; T835-A837 PolarHBondContact O-N 3.35Å; T835-A837 PolarHBondContact OG1-N 3.48Å; T835-A837 VanDerWaalsContact OG1-N 3.16Å; A837-T839 VanDerWaalsContact C-N 3.34Å; A837-K840 WeakPolarHBondContact O-CE 3.45Å; A837-K840 WeakPolarHBondContact O-CG 3.33Å
838C96.8Very high96.2Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-74.1-24.217571.80000113.4D808 I811 T835 D836 K840 H841 F842D808-C838 HydrophobicContact CB-CB 4.05Å; D808-C838 WeakPolarHBondContact OD1-CB 3.15Å; D808-C838 PolarHBondContact OD1-N 3.08Å; I811-C838 HydrophobicContact CB-CB 4.4Å; I811-C838 HydrophobicContact CG2-CB 4.14Å; T835-C838 PolarHBondContact O-N 2.91Å; T835-C838 PolarHBondContact O-SG 2.82Å; D836-C838 VanDerWaalsContact C-N 3.3Å; D836-C838 PolarHBondContact O-N 3.28Å; C838-K840 VanDerWaalsContact C-N 3.27Å; C838-K840 PolarHBondContact O-N 3.45Å; C838-H841 WeakPolarHBondContact O-CB 3.48Å; C838-H841 PolarHBondContact O-N 2.82Å; C838-F842 HydrophobicContact CB-CE2 4.43Å; C838-F842 PolarHBondContact O-N 3.47Å
839T97.6Very high95.9Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-65.1-29.1-169.462.90000113.3D836 A837 H841 F842 S843 I862 G866 Q869 L870D836-T839 WeakPolarHBondContact O-CB 3.49Å; D836-T839 PolarHBondContact O-N 2.95Å; D836-T839 VanDerWaalsContact O-N 3.11Å; D836-T839 PolarHBondContact O-OG1 3.03Å; A837-T839 VanDerWaalsContact C-N 3.34Å; T839-H841 VanDerWaalsContact C-N 3.26Å; T839-H841 PolarHBondContact O-N 3.32Å; T839-F842 PolarHBondContact O-N 2.98Å; T839-S843 WeakPolarHBondContact O-CB 3.46Å; T839-S843 PolarHBondContact O-N 3.46Å; T839-I862 HydrophobicContact CG2-CD1 4.29Å; T839-I862 HydrophobicContact CG2-CG1 4.34Å; T839-I862 HydrophobicContact CG2-CG2 4.09Å; T839-G866 WeakPolarHBondContact OG1-CA 3.43Å; T839-G866 PolarHBondContact OG1-O 3.5Å; T839-Q869 WeakPolarHBondContact OG1-CB 3.47Å; T839-Q869 PolarHBondContact OG1-OE1 2.66Å; T839-L870 HydrophobicContact CG2-CD1 4.17Å; T839-L870 HydrophobicContact CG2-CD2 4.32Å; T839-L870 HydrophobicContact CG2-CG 3.96Å
840K97.3Very high95.8Very high117 Ų11740.7 Ų40.751%0.50920%0.196SC..Hα-helixtrans-58.5-35.4170.474.3-169.3179.1179.90113A837 C838 Y844A837-K840 WeakPolarHBondContact O-CE 3.45Å; A837-K840 WeakPolarHBondContact O-CG 3.33Å; C838-K840 VanDerWaalsContact C-N 3.27Å; C838-K840 PolarHBondContact O-N 3.45Å; K840-Y844 PolarHBondContact O-N 2.85Å
841H98Very high95.8Very high29 Ų2939.7 Ų39.713%0.13419%0.194CC..Hα-helixtrans-74.3-41.1179.6-60.7-65.3000111R812 I815 C838 T839 Y844 L845R812-H841 VanDerWaalsContact CG-CE1 3.45Å; R812-H841 WeakPolarHBondContact CG-CE1 3.33Å; I815-H841 HydrophobicContact CB-CB 4.33Å; I815-H841 HydrophobicContact CD1-CB 3.55Å; I815-H841 HydrophobicContact CG2-CB 4.25Å; C838-H841 WeakPolarHBondContact O-CB 3.48Å; C838-H841 PolarHBondContact O-N 2.82Å; T839-H841 VanDerWaalsContact C-N 3.26Å; T839-H841 PolarHBondContact O-N 3.32Å; H841-Y844 PolarHBondContact O-N 3.22Å; H841-L845 PolarHBondContact O-N 3.17Å
842F98Very high96Very high0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-65.8-37.9171.9-71.7-61.9000112.3I811 I815 I827 L829 C838 T839 Y844 L845 L846 L855 L857 L870I811-F842 HydrophobicContact CG2-CD2 4.45Å; I811-F842 HydrophobicContact CG2-CE1 4.34Å; I811-F842 HydrophobicContact CG2-CE2 3.63Å; I811-F842 HydrophobicContact CG2-CZ 3.54Å; I815-F842 HydrophobicContact CD1-CD1 3.59Å; I815-F842 HydrophobicContact CD1-CD2 4.43Å; I815-F842 HydrophobicContact CD1-CE1 3.62Å; I815-F842 HydrophobicContact CD1-CE2 4.46Å; I815-F842 HydrophobicContact CD1-CG 4Å; I815-F842 HydrophobicContact CD1-CZ 4.06Å; I815-F842 HydrophobicContact CG1-CE1 4.45Å; I827-F842 HydrophobicContact CD1-CE1 4.4Å; I827-F842 HydrophobicContact CG2-CE1 4.06Å; L829-F842 HydrophobicContact CD1-CE1 4.46Å; L829-F842 HydrophobicContact CD1-CE2 4.42Å; L829-F842 HydrophobicContact CD1-CZ 3.61Å; C838-F842 HydrophobicContact CB-CE2 4.43Å; C838-F842 PolarHBondContact O-N 3.47Å; T839-F842 PolarHBondContact O-N 2.98Å; F842-Y844 VanDerWaalsContact C-N 3.32Å; F842-Y844 PolarHBondContact O-N 3.01Å; F842-L845 HydrophobicContact CD1-CD2 4.2Å; F842-L845 WeakPolarHBondContact O-CB 3.49Å; F842-L845 PolarHBondContact O-N 2.98Å; F842-L846 WeakPolarHBondContact O-CB 3.21Å; F842-L846 VanDerWaalsContact O-CG 3.23Å; F842-L846 WeakPolarHBondContact O-CG 3.31Å; F842-L846 PolarHBondContact O-N 2.92Å; F842-L855 HydrophobicContact CB-CD2 4.29Å; F842-L855 HydrophobicContact CD1-CD1 3.63Å; F842-L855 HydrophobicContact CD1-CD2 4.34Å; F842-L855 HydrophobicContact CE1-CD1 3.65Å; F842-L855 HydrophobicContact CG-CD1 4.22Å; F842-L855 HydrophobicContact CG-CD2 4.36Å; F842-L855 HydrophobicContact CZ-CD1 4.25Å; F842-L857 HydrophobicContact CD2-CD1 3.88Å; F842-L857 HydrophobicContact CD2-CD2 4.32Å; F842-L857 HydrophobicContact CE1-CD2 4.44Å; F842-L857 HydrophobicContact CE2-CD1 3.98Å; F842-L857 HydrophobicContact CE2-CD2 3.61Å; F842-L857 HydrophobicContact CE2-CG 4.46Å; F842-L857 HydrophobicContact CG-CD1 4.47Å; F842-L857 HydrophobicContact CZ-CD2 3.71Å; F842-L870 HydrophobicContact CB-CD2 3.57Å
843S97.9Very high96.3Very high4 Ų439 Ų393%0.02819%0.19CC..Hα-helixtrans-57.9-46.4172.9-173.10000110.8T839 L846 K847 Q869 G873T839-S843 WeakPolarHBondContact O-CB 3.46Å; T839-S843 PolarHBondContact O-N 3.46Å; S843-L846 PolarHBondContact O-N 3.3Å; S843-K847 VanDerWaalsContact O-CG 3.31Å; S843-K847 WeakPolarHBondContact O-CG 3.38Å; S843-K847 PolarHBondContact O-N 2.94Å; S843-Q869 VanDerWaalsContact CB-O 3.25Å; S843-Q869 WeakPolarHBondContact CB-O 3.46Å; S843-Q869 PolarHBondContact OG-O 3.46Å; S843-G873 WeakPolarHBondContact OG-CA 3.33Å; S843-G873 PolarHBondContact OG-N 3.39Å
844Y97.6Very high96.6Very high123 Ų12335 Ų3548%0.48218%0.176SC..Hα-helixtrans-62.6-43.1174.6-179.3-113.9000113.1I819 K840 H841 F842 L846 K847 T848I819-Y844 HydrophobicContact CD1-CD1 3.98Å; I819-Y844 HydrophobicContact CD1-CE1 3.88Å; I819-Y844 HydrophobicContact CG1-CD1 4.38Å; I819-Y844 HydrophobicContact CG1-CE1 3.8Å; K840-Y844 PolarHBondContact O-N 2.85Å; H841-Y844 PolarHBondContact O-N 3.22Å; F842-Y844 VanDerWaalsContact C-N 3.32Å; F842-Y844 PolarHBondContact O-N 3.01Å; Y844-L846 PolarHBondContact O-N 3.32Å; Y844-K847 PolarHBondContact O-N 3.43Å; Y844-T848 WeakPolarHBondContact O-CB 3.48Å; Y844-T848 PolarHBondContact O-N 3.14Å; Y844-T848 VanDerWaalsContact O-N 3.09Å; Y844-T848 PolarHBondContact O-OG1 2.94Å
845L97.1Very high96.7Very high1 Ų135 Ų351%0.00518%0.176CC..Hα-helixtrans-56.4-49.2174.2-178.373.9000111.1I815 V818 I819 H841 F842 T848 R849 F852I815-L845 HydrophobicContact CG2-CB 4.23Å; V818-L845 HydrophobicContact CG2-CD1 4.38Å; I819-L845 HydrophobicContact CD1-CB 4.4Å; I819-L845 HydrophobicContact CD1-CD1 3.83Å; H841-L845 PolarHBondContact O-N 3.17Å; F842-L845 HydrophobicContact CD1-CD2 4.2Å; F842-L845 WeakPolarHBondContact O-CB 3.49Å; F842-L845 PolarHBondContact O-N 2.98Å; L845-T848 PolarHBondContact O-N 3.21Å; L845-R849 HydrophobicContact CD1-CG 3.67Å; L845-R849 HydrophobicContact CG-CG 4.26Å; L845-R849 VanDerWaalsContact O-CB 3.25Å; L845-R849 WeakPolarHBondContact O-CB 3.32Å; L845-R849 VanDerWaalsContact O-CG 3.28Å; L845-R849 WeakPolarHBondContact O-CG 3.34Å; L845-R849 PolarHBondContact O-N 3.39Å; L845-F852 HydrophobicContact CD2-CD1 4.37Å; L845-F852 HydrophobicContact CD2-CD2 4.32Å; L845-F852 HydrophobicContact CD2-CE1 4.09Å; L845-F852 HydrophobicContact CD2-CE2 4.06Å; L845-F852 HydrophobicContact CD2-CG 4.48Å; L845-F852 HydrophobicContact CD2-CZ 3.93Å
846L96.4Very high96.8Very high1 Ų135.6 Ų35.61%0.00517%0.172CC..Hα-helixtrans-66.3-38.3-178.7-69.3168.3000112.5F842 S843 Y844 T848 F852 L855 L874 N877 L880F842-L846 WeakPolarHBondContact O-CB 3.21Å; F842-L846 VanDerWaalsContact O-CG 3.23Å; F842-L846 WeakPolarHBondContact O-CG 3.31Å; F842-L846 PolarHBondContact O-N 2.92Å; S843-L846 PolarHBondContact O-N 3.3Å; Y844-L846 PolarHBondContact O-N 3.32Å; L846-T848 VanDerWaalsContact C-N 3.27Å; L846-T848 PolarHBondContact O-N 3.15Å; L846-F852 HydrophobicContact CD2-CD1 4.02Å; L846-L855 HydrophobicContact CD1-CD2 4.18Å; L846-L874 HydrophobicContact CD1-CD2 3.79Å; L846-L874 HydrophobicContact CD1-CG 4.03Å; L846-N877 HydrophobicContact CB-CB 4.2Å; L846-N877 HydrophobicContact CD2-CB 4.39Å; L846-N877 PolarHBondContact O-ND2 3.22Å; L846-L880 HydrophobicContact CD2-CD1 4.2Å; L846-L880 HydrophobicContact CD2-CD2 4.11Å
847K95.3Very high96.8Very high81 Ų8134.3 Ų34.335%0.35217%0.166SC..Hα-helixtrans-62.4-36.2173.9-71173.8-174172.80111.9S843 Y844 E872 F876S843-K847 VanDerWaalsContact O-CG 3.31Å; S843-K847 WeakPolarHBondContact O-CG 3.38Å; S843-K847 PolarHBondContact O-N 2.94Å; Y844-K847 PolarHBondContact O-N 3.43Å; K847-E872 WeakPolarHBondContact CE-O 3.48Å; K847-E872 IonicContact NZ-OE2 3.04Å; K847-E872 PolarHBondContact NZ-OE2 3.33Å; K847-F876 HydrophobicContact CG-CD2 4.15Å
848T94.8Very high96.7Very high67 Ų6732.1 Ų32.141%0.41115%0.148SC..Hα-helixtrans-92.3-29.4-170.6-49.90000113I819 Y844 L845 L846I819-T848 HydrophobicContact CD1-CG2 3.96Å; I819-T848 HydrophobicContact CG1-CG2 4.04Å; Y844-T848 WeakPolarHBondContact O-CB 3.48Å; Y844-T848 PolarHBondContact O-N 3.14Å; Y844-T848 VanDerWaalsContact O-N 3.09Å; Y844-T848 PolarHBondContact O-OG1 2.94Å; L845-T848 PolarHBondContact O-N 3.21Å; L846-T848 VanDerWaalsContact C-N 3.27Å; L846-T848 PolarHBondContact O-N 3.15Å
849R93.4Very high96.5Very high11 Ų1134.8 Ų34.84%0.04216%0.162CC..  trans-110.6105.5-169.3-58-68.2-72136.69.6112.2I819 L821 Q822 L845 N851 F852 N877I819-R849 HydrophobicContact CD1-CG 4.18Å; I819-R849 VanDerWaalsContact O-CD 3.29Å; I819-R849 WeakPolarHBondContact O-CD 3.3Å; L821-R849 PolarHBondContact O-NH2 3.12Å; Q822-R849 VanDerWaalsContact CD-NH1 3.28Å; Q822-R849 PolarHBondContact O-NH2 3.05Å; Q822-R849 VanDerWaalsContact O-NH2 3.14Å; L845-R849 HydrophobicContact CD1-CG 3.67Å; L845-R849 HydrophobicContact CG-CG 4.26Å; L845-R849 VanDerWaalsContact O-CB 3.25Å; L845-R849 WeakPolarHBondContact O-CB 3.32Å; L845-R849 VanDerWaalsContact O-CG 3.28Å; L845-R849 WeakPolarHBondContact O-CG 3.34Å; L845-R849 PolarHBondContact O-N 3.39Å; R849-N851 VanDerWaalsContact C-N 3.29Å; R849-N851 PolarHBondContact NH2-ND2 2.88Å; R849-N851 PolarHBondContact NH2-OD1 2.91Å; R849-N851 PolarHBondContact O-N 3.25Å; R849-F852 HydrophobicContact CB-CB 4.06Å; R849-N877 PolarHBondContact O-ND2 3.38Å
850Q93.3Very high96.5Very high96 Ų9635.1 Ų35.145%0.44916%0.163SC..THydrogen-bonded Turntrans-91.721.3177.4-58.4-60.4-26.700113.7F876 S879Q850-F876 PolarHBondContact NE2-O 2.9Å; Q850-S879 VanDerWaalsContact C-OG 3.25Å; Q850-S879 WeakPolarHBondContact O-CB 3.48Å
851N94.7Very high96.4Very high40 Ų4034 Ų3421%0.21416%0.163CC..THydrogen-bonded Turntrans-134.613.9173.574.7-22.3000112.2Q822 Q825 R849 S879Q822-N851 PolarHBondContact O-ND2 2.99Å; Q825-N851 WeakPolarHBondContact CG-O 3.43Å; R849-N851 VanDerWaalsContact C-N 3.29Å; R849-N851 PolarHBondContact NH2-ND2 2.88Å; R849-N851 PolarHBondContact NH2-OD1 2.91Å; R849-N851 PolarHBondContact O-N 3.25Å; N851-S879 PolarHBondContact N-OG 3.34Å
852F96.8Very high96.3Very high0 Ų032.6 Ų32.60%016%0.157CC..  trans-86.1124.5178.3-167.8-105.2000109.6F824 Q825 I827 L845 L846 R849 S854 L855 S879 L880F824-F852 HydrophobicContact CD1-CD2 4.39Å; F824-F852 AromaticContact CD1-CE2 3.87Å; F824-F852 HydrophobicContact CD1-CE2 3.87Å; F824-F852 AromaticContact CE1-CE2 3.79Å; F824-F852 HydrophobicContact CE1-CE2 3.79Å; Q825-F852 VanDerWaalsContact C-CD2 3.45Å; Q825-F852 VanDerWaalsContact C-CE2 3.43Å; Q825-F852 VanDerWaalsContact O-CD2 3.31Å; Q825-F852 WeakPolarHBondContact O-CD2 3.27Å; Q825-F852 WeakPolarHBondContact O-CE2 3.34Å; I827-F852 HydrophobicContact CB-CZ 4.25Å; I827-F852 HydrophobicContact CG2-CZ 3.76Å; L845-F852 HydrophobicContact CD2-CD1 4.37Å; L845-F852 HydrophobicContact CD2-CD2 4.32Å; L845-F852 HydrophobicContact CD2-CE1 4.09Å; L845-F852 HydrophobicContact CD2-CE2 4.06Å; L845-F852 HydrophobicContact CD2-CG 4.48Å; L845-F852 HydrophobicContact CD2-CZ 3.93Å; L846-F852 HydrophobicContact CD2-CD1 4.02Å; R849-F852 HydrophobicContact CB-CB 4.06Å; F852-S854 WeakPolarHBondContact CE1-O 3.38Å; F852-S854 WeakPolarHBondContact CZ-O 3.4Å; F852-L855 HydrophobicContact CE1-CB 4.05Å; F852-L855 HydrophobicContact CE1-CD1 4.47Å; F852-S879 PolarHBondContact N-OG 3.5Å; F852-S879 CarbonylContact O-C 3.55Å; F852-S879 VanDerWaalsContact O-C 3.24Å; F852-S879 PolarHBondContact O-OG 2.97Å; F852-L880 HydrophobicContact CD1-CD1 3.86Å; F852-L880 HydrophobicContact CE1-CD1 4.2Å; F852-L880 VanDerWaalsContact O-CA 3.32Å; F852-L880 WeakPolarHBondContact O-CA 3.26Å; F852-L880 PolarHBondContact O-N 3.32Å
853L97.8Very high96.3Very high34 Ų3434.9 Ų34.918%0.17817%0.17CC..  trans-108.6-30.9-162.8-58.3179.5000113.8Q825 S879 Q881 Y882Q825-L853 HydrophobicContact CB-CD1 4.32Å; Q825-L853 HydrophobicContact CB-CG 4.26Å; Q825-L853 PolarHBondContact O-N 3.36Å; L853-S879 WeakPolarHBondContact CD2-O 3.36Å; L853-Q881 PolarHBondContact O-N 3.22Å; L853-Y882 PolarHBondContact O-N 3.46Å
854S98.3Very high96.4Very high6 Ų635.7 Ų35.74%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-143.2123.4-172.7175.40000112.9Q825 K826 I827 F852 Y882Q825-S854 PolarHBondContact O-N 3Å; K826-S854 WeakPolarHBondContact CA-O 3.48Å; I827-S854 PolarHBondContact N-O 3.46Å; F852-S854 WeakPolarHBondContact CE1-O 3.38Å; F852-S854 WeakPolarHBondContact CZ-O 3.4Å; S854-Y882 WeakPolarHBondContact CA-O 3.32Å
855L98.4Very high96.4Very high1 Ų136.2 Ų36.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-122116173.1-175.554.4000109.9I827 F842 L846 F852 L857 L870 L880 Y882 L883 G884I827-L855 HydrophobicContact CG2-CD1 3.49Å; I827-L855 VanDerWaalsContact CG2-CD1 3.49Å; F842-L855 HydrophobicContact CB-CD2 4.29Å; F842-L855 HydrophobicContact CD1-CD1 3.63Å; F842-L855 HydrophobicContact CD1-CD2 4.34Å; F842-L855 HydrophobicContact CE1-CD1 3.65Å; F842-L855 HydrophobicContact CG-CD1 4.22Å; F842-L855 HydrophobicContact CG-CD2 4.36Å; F842-L855 HydrophobicContact CZ-CD1 4.25Å; L846-L855 HydrophobicContact CD1-CD2 4.18Å; F852-L855 HydrophobicContact CE1-CB 4.05Å; F852-L855 HydrophobicContact CE1-CD1 4.47Å; L855-L857 HydrophobicContact CD1-CD1 4.09Å; L855-L857 HydrophobicContact CD1-CD2 3.82Å; L855-L857 HydrophobicContact CD1-CG 3.86Å; L855-L857 HydrophobicContact CD2-CD1 4.17Å; L855-L857 HydrophobicContact CG-CD1 4.11Å; L855-L857 HydrophobicContact CG-CG 4.03Å; L855-L870 HydrophobicContact CD2-CD2 4.49Å; L855-L880 HydrophobicContact CB-CD1 4.05Å; L855-L880 HydrophobicContact CB-CD2 4.48Å; L855-Y882 PolarHBondContact N-O 3.21Å; L855-L883 HydrophobicContact CB-CD1 4.17Å; L855-L883 HydrophobicContact CD2-CD1 4.21Å; L855-L883 HydrophobicContact CG-CD1 4.3Å; L855-L883 WeakPolarHBondContact O-CA 3.43Å; L855-G884 PolarHBondContact O-N 3.2Å
856R98.2Very high96.4Very high64 Ų6436.2 Ų36.224%0.24218%0.182CC..EExtended strand (participates in β ladder)trans-126.1109.8179-64.2177.3177.8178.2-5.9110.5I827 A828 L829 W886I827-R856 PolarHBondContact O-N 3.48Å; I827-R856 VanDerWaalsContact O-N 3.08Å; A828-R856 HydrophobicContact CB-CB 4.08Å; L829-R856 PolarHBondContact N-O 2.97Å; R856-W886 HydrophobicContact CB-CH2 3.9Å; R856-W886 HydrophobicContact CB-CZ3 4.1Å; R856-W886 HydrophobicContact CG-CH2 4.17Å; R856-W886 HydrophobicContact CG-CZ3 4.14Å
857L97.7Very high96.5Very high0 Ų036.1 Ų36.10%018%0.182CC..  trans-121.827.2-175.5-53.6176.2000112.5L829 L834 F842 L855 N860 I862 L870 G884 L885 N888L829-L857 HydrophobicContact CB-CD2 4.15Å; L829-L857 HydrophobicContact CD1-CD2 3.83Å; L834-L857 HydrophobicContact CD1-CD2 4.1Å; F842-L857 HydrophobicContact CD2-CD1 3.88Å; F842-L857 HydrophobicContact CD2-CD2 4.32Å; F842-L857 HydrophobicContact CE1-CD2 4.44Å; F842-L857 HydrophobicContact CE2-CD1 3.98Å; F842-L857 HydrophobicContact CE2-CD2 3.61Å; F842-L857 HydrophobicContact CE2-CG 4.46Å; F842-L857 HydrophobicContact CG-CD1 4.47Å; F842-L857 HydrophobicContact CZ-CD2 3.71Å; L855-L857 HydrophobicContact CD1-CD1 4.09Å; L855-L857 HydrophobicContact CD1-CD2 3.82Å; L855-L857 HydrophobicContact CD1-CG 3.86Å; L855-L857 HydrophobicContact CD2-CD1 4.17Å; L855-L857 HydrophobicContact CG-CD1 4.11Å; L855-L857 HydrophobicContact CG-CG 4.03Å; L857-N860 PolarHBondContact O-ND2 3.1Å; L857-I862 HydrophobicContact CB-CD1 3.8Å; L857-I862 HydrophobicContact CD1-CD1 3.82Å; L857-I862 HydrophobicContact CG-CD1 4.44Å; L857-L870 HydrophobicContact CD1-CD1 4.22Å; L857-G884 PolarHBondContact N-O 3.33Å; L857-L885 HydrophobicContact CB-CD2 4.05Å; L857-L885 HydrophobicContact CD1-CD2 4.21Å; L857-L885 HydrophobicContact CG-CD2 4.48Å; L857-N888 PolarHBondContact O-ND2 2.87Å
858G95Very high96.7Very high0 Ų036.5 Ų36.50%018%0.183CC..  trans-66.4158-175.400000114.7F830 N831 N860 W886F830-G858 CarbonylContact C-O 3.58Å; F830-G858 WeakPolarHBondContact CA-O 3.39Å; F830-G858 WeakPolarHBondContact CD2-O 3.33Å; N831-G858 PolarHBondContact N-O 3.41Å; G858-N860 PolarHBondContact O-ND2 2.9Å; G858-W886 CarbonylContact C-O 3.6Å; G858-W886 VanDerWaalsContact C-O 3.24Å; G858-W886 WeakPolarHBondContact CA-O 3.32Å
859N94.2Very high96.9Very high56 Ų5635.9 Ų35.930%0.29918%0.176SC..SBendtrans49.258.7-177.8-153.344.8000112.6F830 N831 W886 G887F830-N859 HydrophobicContact CD2-CB 3.71Å; F830-N859 HydrophobicContact CE2-CB 3.23Å; F830-N859 HydrophobicContact CZ-CB 3.75Å; N831-N859 WeakPolarHBondContact CA-O 3.45Å; N831-N859 HydrophobicContact CB-CB 4.44Å; N831-N859 PolarHBondContact N-O 2.98Å; N831-N859 PolarHBondContact OD1-ND2 3.34Å; N859-W886 PolarHBondContact N-O 2.71Å; N859-G887 VanDerWaalsContact CA-O 3.25Å; N859-G887 WeakPolarHBondContact CA-O 3.5Å
860N95.8Very high97.1Very high6 Ų635.4 Ų35.43%0.03217%0.174CC..SBendtrans-131.8-171.1174.6-77.1-78.2000108.4L829 N832 L834 L857 G858 I862 N888L829-N860 PolarHBondContact O-ND2 3.08Å; N832-N860 WeakPolarHBondContact CA-OD1 3.34Å; N832-N860 WeakPolarHBondContact CB-OD1 3.48Å; N832-N860 PolarHBondContact N-OD1 2.88Å; N832-N860 PolarHBondContact O-OD1 3.05Å; L834-N860 HydrophobicContact CB-CB 4.05Å; L834-N860 WeakPolarHBondContact CB-OD1 3.43Å; L834-N860 WeakPolarHBondContact CG-OD1 3.45Å; L834-N860 PolarHBondContact N-OD1 2.88Å; L857-N860 PolarHBondContact O-ND2 3.1Å; G858-N860 PolarHBondContact O-ND2 2.9Å; N860-I862 HydrophobicContact CB-CG1 4.44Å; N860-N888 WeakPolarHBondContact CA-OD1 3.49Å; N860-N888 WeakPolarHBondContact CB-OD1 3.35Å; N860-N888 PolarHBondContact N-OD1 2.9Å; N860-N888 PolarHBondContact O-OD1 2.77Å
861N95Very high97.3Very high94 Ų9431.2 Ų31.250%0.50316%0.156SC..BIsolated β-bridgetrans-105.540.5-178.3-65.1-4.7000111.9L834 T835L834-N861 WeakPolarHBondContact O-CA 3.23Å; L834-N861 WeakPolarHBondContact O-CB 3.41Å; L834-N861 PolarHBondContact O-N 3.46Å; T835-N861 HydrophobicContact CG2-CB 4.48Å
862I97.4Very high97.4Very high0 Ų034.5 Ų34.50%017%0.17CC..  trans-81.4128.5176.2-57.4173.7000109T839 L857 N860 N888 K889T839-I862 HydrophobicContact CG2-CD1 4.29Å; T839-I862 HydrophobicContact CG2-CG1 4.34Å; T839-I862 HydrophobicContact CG2-CG2 4.09Å; L857-I862 HydrophobicContact CB-CD1 3.8Å; L857-I862 HydrophobicContact CD1-CD1 3.82Å; L857-I862 HydrophobicContact CG-CD1 4.44Å; N860-I862 HydrophobicContact CB-CG1 4.44Å; I862-N888 HydrophobicContact CB-CB 4.28Å; I862-N888 WeakPolarHBondContact CB-OD1 3.41Å; I862-N888 PolarHBondContact N-OD1 2.82Å; I862-N888 VanDerWaalsContact N-OD1 3.09Å; I862-N888 WeakPolarHBondContact O-CB 3.39Å; I862-K889 CarbonylContact O-C 3.54Å; I862-K889 PolarHBondContact O-N 3.3Å
863T98.3Very high97.4Very high47 Ų4734.5 Ų34.529%0.28817%0.17SC..BIsolated β-bridgetrans-105.7-178.3179.179.60000111.7D836 K865 G866 A867 K889D836-T863 PolarHBondContact OD1-N 2.76Å; D836-T863 PolarHBondContact OD1-OG1 3.24Å; D836-T863 PolarHBondContact OD2-OG1 3.4Å; T863-K865 PolarHBondContact O-N 3.16Å; T863-K865 VanDerWaalsContact O-N 3.13Å; T863-K865 PolarHBondContact OG1-N 3.23Å; T863-K865 VanDerWaalsContact OG1-N 3.16Å; T863-G866 PolarHBondContact O-N 3.06Å; T863-G866 VanDerWaalsContact O-N 3.12Å; T863-A867 PolarHBondContact O-N 3.48Å; T863-K889 CarbonylContact C-O 3.45Å; T863-K889 VanDerWaalsContact CA-O 3.27Å; T863-K889 WeakPolarHBondContact CA-O 3.25Å
864A98.3Very high97.3Very high21 Ų2133.2 Ų33.217%0.17416%0.163CC..Hα-helixtrans-48.3-35.9168.500000113.2A867 K868 K889 I890 E893A864-A867 PolarHBondContact O-N 3.17Å; A864-K868 WeakPolarHBondContact O-CG 3.29Å; A864-K868 PolarHBondContact O-N 2.87Å; A864-K889 PolarHBondContact N-O 2.83Å; A864-I890 WeakPolarHBondContact CA-O 3.46Å; A864-I890 VanDerWaalsContact CB-O 3.28Å; A864-I890 WeakPolarHBondContact CB-O 3.45Å; A864-E893 HydrophobicContact CB-CB 4.18Å
865K98.4Very high97.2Very high135 Ų13539.7 Ų39.759%0.58719%0.191SC*.Hα-helixtrans-66.6-46.5178.9-178.7-177.2177.8-177.30111.7T863 K868 Q869T863-K865 PolarHBondContact O-N 3.16Å; T863-K865 VanDerWaalsContact O-N 3.13Å; T863-K865 PolarHBondContact OG1-N 3.23Å; T863-K865 VanDerWaalsContact OG1-N 3.16Å; K865-K868 PolarHBondContact O-N 2.96Å; K865-Q869 PolarHBondContact O-N 2.67Å
866G98.2Very high96.9Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-66-37.7175.900000112.4D836 T839 T863 K868 Q869 L870D836-G866 VanDerWaalsContact OD1-CA 3.23Å; D836-G866 WeakPolarHBondContact OD1-CA 3.4Å; D836-G866 PolarHBondContact OD1-N 2.77Å; T839-G866 WeakPolarHBondContact OG1-CA 3.43Å; T839-G866 PolarHBondContact OG1-O 3.5Å; T863-G866 PolarHBondContact O-N 3.06Å; T863-G866 VanDerWaalsContact O-N 3.12Å; G866-K868 PolarHBondContact O-N 3Å; G866-Q869 PolarHBondContact O-N 3.34Å; G866-L870 PolarHBondContact O-N 2.79Å
867A98.4Very high96.8Very high0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-60.5-43.6173.900000112.3T863 A864 Q869 L870 A871 I890 L898T863-A867 PolarHBondContact O-N 3.48Å; A864-A867 PolarHBondContact O-N 3.17Å; A867-Q869 VanDerWaalsContact C-N 3.32Å; A867-Q869 PolarHBondContact O-N 2.78Å; A867-L870 PolarHBondContact O-N 2.8Å; A867-A871 WeakPolarHBondContact O-CB 3.39Å; A867-A871 PolarHBondContact O-N 3.06Å; A867-I890 HydrophobicContact CB-CG1 4.31Å; A867-I890 HydrophobicContact CB-CG2 3.99Å; A867-L898 HydrophobicContact CB-CD1 4.29Å; A867-L898 HydrophobicContact CB-CG 4.32Å
868K98.5Very high96.5Very high89 Ų8948.4 Ų48.439%0.38723%0.233SC..Hα-helixtrans-58.4-41.4173.2-74.5171.6-172.3177.30112.1A864 K865 G866 A871 E872 E893 A897A864-K868 WeakPolarHBondContact O-CG 3.29Å; A864-K868 PolarHBondContact O-N 2.87Å; K865-K868 PolarHBondContact O-N 2.96Å; G866-K868 PolarHBondContact O-N 3Å; K868-A871 WeakPolarHBondContact O-CB 3.25Å; K868-A871 PolarHBondContact O-N 3.22Å; K868-E872 PolarHBondContact O-N 2.85Å; K868-E893 IonicContact NZ-OE2 3.13Å; K868-E893 PolarHBondContact NZ-OE2 2.71Å; K868-A897 HydrophobicContact CB-CB 4.3Å; K868-A897 HydrophobicContact CG-CB 3.56Å
869Q98.1Very high96.6Very high53 Ų5349 Ų4925%0.24824%0.237CC..Hα-helixtrans-67.9-40.5177-70.3-176.2600113D836 T839 S843 K865 G866 A867 A871 E872D836-Q869 PolarHBondContact O-OE1 2.74Å; T839-Q869 WeakPolarHBondContact OG1-CB 3.47Å; T839-Q869 PolarHBondContact OG1-OE1 2.66Å; S843-Q869 VanDerWaalsContact CB-O 3.25Å; S843-Q869 WeakPolarHBondContact CB-O 3.46Å; S843-Q869 PolarHBondContact OG-O 3.46Å; K865-Q869 PolarHBondContact O-N 2.67Å; G866-Q869 PolarHBondContact O-N 3.34Å; A867-Q869 VanDerWaalsContact C-N 3.32Å; A867-Q869 PolarHBondContact O-N 2.78Å; Q869-A871 VanDerWaalsContact C-N 3.32Å; Q869-E872 WeakPolarHBondContact O-CB 3.48Å; Q869-E872 PolarHBondContact O-N 3.25Å
870L98Very high96.7Very high1 Ų146.4 Ų46.41%0.00522%0.223CC..Hα-helixtrans-61.5-41.9173.4-73.6176.3000111.4T839 F842 L855 L857 G866 A867 E872 G873 L874 L885T839-L870 HydrophobicContact CG2-CD1 4.17Å; T839-L870 HydrophobicContact CG2-CD2 4.32Å; T839-L870 HydrophobicContact CG2-CG 3.96Å; F842-L870 HydrophobicContact CB-CD2 3.57Å; L855-L870 HydrophobicContact CD2-CD2 4.49Å; L857-L870 HydrophobicContact CD1-CD1 4.22Å; G866-L870 PolarHBondContact O-N 2.79Å; A867-L870 PolarHBondContact O-N 2.8Å; L870-E872 PolarHBondContact O-N 3.34Å; L870-G873 PolarHBondContact O-N 3.41Å; L870-L874 WeakPolarHBondContact O-CG 3.47Å; L870-L874 PolarHBondContact O-N 3.46Å; L870-L885 HydrophobicContact CD1-CD2 3.98Å
871A97.9Very high96.8Very high9 Ų949.4 Ų49.47%0.07424%0.237CC..Hα-helixtrans-56.3-37.2179.400000112.4A867 K868 Q869 G873 L874 K875 A897 L898 A901A867-A871 WeakPolarHBondContact O-CB 3.39Å; A867-A871 PolarHBondContact O-N 3.06Å; K868-A871 WeakPolarHBondContact O-CB 3.25Å; K868-A871 PolarHBondContact O-N 3.22Å; Q869-A871 VanDerWaalsContact C-N 3.32Å; A871-G873 PolarHBondContact O-N 3.29Å; A871-L874 PolarHBondContact O-N 2.91Å; A871-K875 PolarHBondContact O-N 3.3Å; A871-K875 VanDerWaalsContact O-N 3.07Å; A871-A897 HydrophobicContact CB-CB 4.2Å; A871-A897 WeakPolarHBondContact CB-O 3.42Å; A871-L898 HydrophobicContact CB-CD2 4.47Å; A871-A901 HydrophobicContact CB-CB 3.79Å; A871-A901 VanDerWaalsContact O-CB 3.27Å; A871-A901 WeakPolarHBondContact O-CB 3.29Å
872E96.9Very high97Very high109 Ų10948.6 Ų48.651%0.50923%0.227SC..Hα-helixtrans-59.3-33174.8-64.1-178.2-172.700113.4K847 K868 Q869 L870 F876K847-E872 WeakPolarHBondContact CE-O 3.48Å; K847-E872 IonicContact NZ-OE2 3.04Å; K847-E872 PolarHBondContact NZ-OE2 3.33Å; K868-E872 PolarHBondContact O-N 2.85Å; Q869-E872 WeakPolarHBondContact O-CB 3.48Å; Q869-E872 PolarHBondContact O-N 3.25Å; L870-E872 PolarHBondContact O-N 3.34Å; E872-F876 WeakPolarHBondContact O-CD2 3.43Å; E872-F876 WeakPolarHBondContact O-CE2 3.5Å
873G96.2Very high97Very high0 Ų048.6 Ų48.60%023%0.227CC..Hα-helixtrans-84.3-40.1178.700000112.6S843 L870 A871 K875 F876 N877S843-G873 WeakPolarHBondContact OG-CA 3.33Å; S843-G873 PolarHBondContact OG-N 3.39Å; L870-G873 PolarHBondContact O-N 3.41Å; A871-G873 PolarHBondContact O-N 3.29Å; G873-K875 PolarHBondContact O-N 2.84Å; G873-F876 PolarHBondContact O-N 3.35Å; G873-F876 VanDerWaalsContact O-N 3.16Å; G873-N877 PolarHBondContact O-N 3.35Å
874L96.5Very high97Very high6 Ų646.3 Ų46.33%0.03121%0.213CC..Hα-helixtrans-58.3-36.5176.5-70.3169000112.3L846 L870 A871 F876 N877 L880 L883 L898 A901 L902L846-L874 HydrophobicContact CD1-CD2 3.79Å; L846-L874 HydrophobicContact CD1-CG 4.03Å; L870-L874 WeakPolarHBondContact O-CG 3.47Å; L870-L874 PolarHBondContact O-N 3.46Å; A871-L874 PolarHBondContact O-N 2.91Å; L874-F876 PolarHBondContact O-N 2.87Å; L874-F876 VanDerWaalsContact O-N 3.08Å; L874-N877 PolarHBondContact O-N 3.37Å; L874-L880 HydrophobicContact CD2-CD2 3.39Å; L874-L883 HydrophobicContact CD1-CD2 3.71Å; L874-L883 HydrophobicContact CD2-CD2 4.23Å; L874-L898 HydrophobicContact CD1-CD2 3.71Å; L874-A901 HydrophobicContact CB-CB 4.18Å; L874-L902 HydrophobicContact CB-CD2 4.04Å; L874-L902 HydrophobicContact CD1-CD2 4.31Å; L874-L902 HydrophobicContact CD2-CD2 4.3Å; L874-L902 HydrophobicContact CG-CD2 4.45Å
875K95.1Very high97Very high142 Ų14245.3 Ų45.362%0.61721%0.205SC*.THydrogen-bonded Turntrans-54.9-28.9177.7-174.5176.5-179.7178.40114A871 G873 A901A871-K875 PolarHBondContact O-N 3.3Å; A871-K875 VanDerWaalsContact O-N 3.07Å; G873-K875 PolarHBondContact O-N 2.84Å; K875-A901 HydrophobicContact CB-CB 4.42Å
876F93.5Very high96.9Very high112 Ų11241.3 Ų41.349%0.49119%0.186SC..THydrogen-bonded Turntrans-1070.7-178.1-60.2-78.6000113.2K847 Q850 E872 G873 L874K847-F876 HydrophobicContact CG-CD2 4.15Å; Q850-F876 PolarHBondContact NE2-O 2.9Å; E872-F876 WeakPolarHBondContact O-CD2 3.43Å; E872-F876 WeakPolarHBondContact O-CE2 3.5Å; G873-F876 PolarHBondContact O-N 3.35Å; G873-F876 VanDerWaalsContact O-N 3.16Å; L874-F876 PolarHBondContact O-N 2.87Å; L874-F876 VanDerWaalsContact O-N 3.08Å
877N94.6Very high96.7Very high5 Ų542.5 Ų42.53%0.02720%0.198CC..  trans-100.3125-177.6-167.8-84.8000110.7L846 R849 G873 L874 S879 L880L846-N877 HydrophobicContact CB-CB 4.2Å; L846-N877 HydrophobicContact CD2-CB 4.39Å; L846-N877 PolarHBondContact O-ND2 3.22Å; R849-N877 PolarHBondContact O-ND2 3.38Å; G873-N877 PolarHBondContact O-N 3.35Å; L874-N877 PolarHBondContact O-N 3.37Å; N877-S879 PolarHBondContact OD1-N 3.5Å; N877-S879 PolarHBondContact OD1-OG 3.44Å; N877-L880 VanDerWaalsContact OD1-CB 3.32Å; N877-L880 WeakPolarHBondContact OD1-CB 3.4Å; N877-L880 PolarHBondContact OD1-N 2.69Å
878H92.6Very high96.6Very high132 Ų13242.9 Ų42.961%0.61120%0.2SC*.SBendtrans-113.913.5-179.3-55.4-68000112.8S907H878-S907 VanDerWaalsContact O-CB 3.28Å; H878-S907 WeakPolarHBondContact O-CB 3.3Å
879S96.1Very high96.6Very high13 Ų1345.7 Ų45.79%0.09121%0.213CC..  trans-116.5-22.3-177.266.40000114.2Q850 N851 F852 L853 N877 Q881Q850-S879 VanDerWaalsContact C-OG 3.25Å; Q850-S879 WeakPolarHBondContact O-CB 3.48Å; N851-S879 PolarHBondContact N-OG 3.34Å; F852-S879 PolarHBondContact N-OG 3.5Å; F852-S879 CarbonylContact O-C 3.55Å; F852-S879 VanDerWaalsContact O-C 3.24Å; F852-S879 PolarHBondContact O-OG 2.97Å; L853-S879 WeakPolarHBondContact CD2-O 3.36Å; N877-S879 PolarHBondContact OD1-N 3.5Å; N877-S879 PolarHBondContact OD1-OG 3.44Å; S879-Q881 PolarHBondContact O-N 2.91Å
880L97.5Very high96.5Very high1 Ų143.2 Ų43.21%0.00520%0.201CC..  trans-67.2124.9-175-167.473.7000109.8L846 F852 L855 L874 N877 L883 S907 I908L846-L880 HydrophobicContact CD2-CD1 4.2Å; L846-L880 HydrophobicContact CD2-CD2 4.11Å; F852-L880 HydrophobicContact CD1-CD1 3.86Å; F852-L880 HydrophobicContact CE1-CD1 4.2Å; F852-L880 VanDerWaalsContact O-CA 3.32Å; F852-L880 WeakPolarHBondContact O-CA 3.26Å; F852-L880 PolarHBondContact O-N 3.32Å; L855-L880 HydrophobicContact CB-CD1 4.05Å; L855-L880 HydrophobicContact CB-CD2 4.48Å; L874-L880 HydrophobicContact CD2-CD2 3.39Å; N877-L880 VanDerWaalsContact OD1-CB 3.32Å; N877-L880 WeakPolarHBondContact OD1-CB 3.4Å; N877-L880 PolarHBondContact OD1-N 2.69Å; L880-L883 HydrophobicContact CD2-CB 4.12Å; L880-L883 HydrophobicContact CD2-CD1 4.32Å; L880-S907 CarbonylContact O-C 3.58Å; L880-S907 VanDerWaalsContact O-C 3.25Å; L880-S907 WeakPolarHBondContact O-CB 3.05Å; L880-S907 PolarHBondContact O-OG 3.27Å; L880-I908 HydrophobicContact CB-CD1 4.12Å; L880-I908 HydrophobicContact CD2-CD1 4Å; L880-I908 HydrophobicContact CG-CD1 4Å; L880-I908 VanDerWaalsContact O-CD1 3.23Å; L880-I908 WeakPolarHBondContact O-CD1 3.47Å; L880-I908 PolarHBondContact O-N 3.15Å
881Q98.1Very high96.5Very high68 Ų6844.1 Ų44.132%0.31821%0.21SC..  trans-107.8-35.9-179-69.2174.5-6.700112.1L853 S879 S907 V909 W910L853-Q881 PolarHBondContact O-N 3.22Å; S879-Q881 PolarHBondContact O-N 2.91Å; Q881-S907 WeakPolarHBondContact CA-O 3.31Å; Q881-S907 WeakPolarHBondContact CG-O 3.48Å; Q881-V909 HydrophobicContact CB-CG2 4.24Å; Q881-V909 HydrophobicContact CG-CG2 4.36Å; Q881-V909 PolarHBondContact O-N 3.46Å; Q881-W910 PolarHBondContact O-N 2.72Å
882Y98.4Very high96.6Very high77 Ų7746.3 Ų46.330%0.30222%0.221SC..EExtended strand (participates in β ladder)trans-122.5111.1-174.6-55.2-86.2000110L853 S854 L855 W910L853-Y882 PolarHBondContact O-N 3.46Å; S854-Y882 WeakPolarHBondContact CA-O 3.32Å; L855-Y882 PolarHBondContact N-O 3.21Å; Y882-W910 HydrophobicContact CD1-CB 3.7Å; Y882-W910 HydrophobicContact CD1-CG 4.38Å; Y882-W910 HydrophobicContact CE1-CB 4.22Å
883L98.3Very high96.6Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-116.8117.2174.2179.759.2000110.3L855 L874 L880 L885 L902 I908 W910 L911 S912L855-L883 HydrophobicContact CB-CD1 4.17Å; L855-L883 HydrophobicContact CD2-CD1 4.21Å; L855-L883 HydrophobicContact CG-CD1 4.3Å; L855-L883 WeakPolarHBondContact O-CA 3.43Å; L874-L883 HydrophobicContact CD1-CD2 3.71Å; L874-L883 HydrophobicContact CD2-CD2 4.23Å; L880-L883 HydrophobicContact CD2-CB 4.12Å; L880-L883 HydrophobicContact CD2-CD1 4.32Å; L883-L885 HydrophobicContact CD1-CD1 4.39Å; L883-L885 HydrophobicContact CD1-CD2 4.25Å; L883-L885 HydrophobicContact CD1-CG 4.13Å; L883-L885 HydrophobicContact CD2-CD1 4.37Å; L883-L885 HydrophobicContact CG-CD1 4.36Å; L883-L885 HydrophobicContact CG-CG 4.31Å; L883-L902 HydrophobicContact CD2-CD1 4.19Å; L883-I908 HydrophobicContact CB-CD1 4.23Å; L883-W910 PolarHBondContact N-O 3.25Å; L883-W910 WeakPolarHBondContact O-CZ3 3.5Å; L883-L911 HydrophobicContact CB-CD1 4.13Å; L883-L911 HydrophobicContact CD2-CD1 3.91Å; L883-L911 HydrophobicContact CG-CD1 4.01Å; L883-L911 WeakPolarHBondContact O-CA 3.47Å; L883-S912 PolarHBondContact O-N 3.48Å
884G97.9Very high96.7Very high0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-124.2120.317900000112.6L855 L857 W910L855-G884 PolarHBondContact O-N 3.2Å; L857-G884 PolarHBondContact N-O 3.33Å; G884-W910 VanDerWaalsContact CA-CZ3 3.46Å
885L97.8Very high96.8Very high0 Ų046.4 Ų46.40%022%0.221CC..  trans-128.823.1-179.2-58171000111.7L857 L870 L883 N888 I890 L898 S912 L913 N916L857-L885 HydrophobicContact CB-CD2 4.05Å; L857-L885 HydrophobicContact CD1-CD2 4.21Å; L857-L885 HydrophobicContact CG-CD2 4.48Å; L870-L885 HydrophobicContact CD1-CD2 3.98Å; L883-L885 HydrophobicContact CD1-CD1 4.39Å; L883-L885 HydrophobicContact CD1-CD2 4.25Å; L883-L885 HydrophobicContact CD1-CG 4.13Å; L883-L885 HydrophobicContact CD2-CD1 4.37Å; L883-L885 HydrophobicContact CG-CD1 4.36Å; L883-L885 HydrophobicContact CG-CG 4.31Å; L885-N888 PolarHBondContact O-ND2 3.17Å; L885-I890 HydrophobicContact CB-CD1 3.56Å; L885-I890 HydrophobicContact CD1-CD1 3.68Å; L885-I890 HydrophobicContact CG-CD1 4.2Å; L885-L898 HydrophobicContact CD1-CD1 3.65Å; L885-L898 HydrophobicContact CD1-CD2 4.33Å; L885-S912 PolarHBondContact N-O 3.44Å; L885-L913 HydrophobicContact CB-CD2 4.14Å; L885-L913 HydrophobicContact CD1-CD2 4.15Å; L885-N916 PolarHBondContact O-ND2 2.86Å; L885-N916 PolarHBondContact O-OD1 2.91Å
886W95.4Very high97Very high51 Ų5144.7 Ų44.719%0.19322%0.215CC..  trans-59.8147.9-175.463.395.5000113.2F830 R856 G858 N859 N888 W910 V914F830-W886 HydrophobicContact CB-CZ2 4.07Å; F830-W886 AromaticContact CD2-CE2 3.49Å; F830-W886 VanDerWaalsContact CD2-CE2 3.49Å; F830-W886 AromaticContact CD2-CZ2 3.54Å; F830-W886 HydrophobicContact CD2-CZ2 3.54Å; F830-W886 AromaticContact CD2-NE1 3.05Å; F830-W886 AromaticContact CE2-CD1 3.74Å; F830-W886 AromaticContact CE2-CE2 3.9Å; F830-W886 HydrophobicContact CE2-CZ2 4.31Å; F830-W886 AromaticContact CE2-NE1 2.97Å; F830-W886 HydrophobicContact CG-CZ2 4.06Å; R856-W886 HydrophobicContact CB-CH2 3.9Å; R856-W886 HydrophobicContact CB-CZ3 4.1Å; R856-W886 HydrophobicContact CG-CH2 4.17Å; R856-W886 HydrophobicContact CG-CZ3 4.14Å; G858-W886 CarbonylContact C-O 3.6Å; G858-W886 VanDerWaalsContact C-O 3.24Å; G858-W886 WeakPolarHBondContact CA-O 3.32Å; N859-W886 PolarHBondContact N-O 2.71Å; W886-N888 PolarHBondContact O-ND2 3.2Å; W886-W910 AromaticContact CE3-CH2 3.82Å; W886-W910 HydrophobicContact CE3-CH2 3.82Å; W886-W910 AromaticContact CZ3-CH2 3.6Å; W886-W910 HydrophobicContact CZ3-CH2 3.6Å; W886-W910 HydrophobicContact CZ3-CZ3 4.17Å; W886-V914 CarbonylContact C-O 3.11Å; W886-V914 WeakPolarHBondContact CA-O 3.32Å; W886-V914 HydrophobicContact CB-CB 3.8Å; W886-V914 WeakPolarHBondContact CB-O 3.36Å
887G94.6Very high97.2Very high24 Ų2440.2 Ų40.225%0.24720%0.199CC..SBendtrans66.536177.900000114N859 V914 G915N859-G887 VanDerWaalsContact CA-O 3.25Å; N859-G887 WeakPolarHBondContact CA-O 3.5Å; G887-V914 PolarHBondContact N-O 3.4Å; G887-G915 VanDerWaalsContact CA-O 3.26Å; G887-G915 WeakPolarHBondContact CA-O 3.48Å; G887-G915 PolarHBondContact N-O 3.28Å
888N97.5Very high97.4Very high9 Ų940 Ų405%0.04820%0.198CC..SBendtrans-115-169174.4-78.4-80000109.5L857 N860 I862 L885 W886 I890 G915 N916L857-N888 PolarHBondContact O-ND2 2.87Å; N860-N888 WeakPolarHBondContact CA-OD1 3.49Å; N860-N888 WeakPolarHBondContact CB-OD1 3.35Å; N860-N888 PolarHBondContact N-OD1 2.9Å; N860-N888 PolarHBondContact O-OD1 2.77Å; I862-N888 HydrophobicContact CB-CB 4.28Å; I862-N888 WeakPolarHBondContact CB-OD1 3.41Å; I862-N888 PolarHBondContact N-OD1 2.82Å; I862-N888 VanDerWaalsContact N-OD1 3.09Å; I862-N888 WeakPolarHBondContact O-CB 3.39Å; L885-N888 PolarHBondContact O-ND2 3.17Å; W886-N888 PolarHBondContact O-ND2 3.2Å; N888-I890 HydrophobicContact CB-CD1 4.47Å; N888-I890 HydrophobicContact CB-CG1 4.18Å; N888-G915 PolarHBondContact N-O 3.2Å; N888-N916 WeakPolarHBondContact CA-OD1 3.26Å; N888-N916 WeakPolarHBondContact CB-OD1 3.36Å; N888-N916 PolarHBondContact N-OD1 3.45Å; N888-N916 WeakPolarHBondContact O-CA 3.43Å; N888-N916 PolarHBondContact O-OD1 2.97Å
889K96.6Very high97.6Very high148 Ų14833.8 Ų33.864%0.64317%0.169SC*.BIsolated β-bridgetrans-117.547-178.8-62.6177.8-177176.90111.2I862 T863 A864I862-K889 CarbonylContact O-C 3.54Å; I862-K889 PolarHBondContact O-N 3.3Å; T863-K889 CarbonylContact C-O 3.45Å; T863-K889 VanDerWaalsContact CA-O 3.27Å; T863-K889 WeakPolarHBondContact CA-O 3.25Å; A864-K889 PolarHBondContact N-O 2.83Å
890I98Very high97.6Very high1 Ų137 Ų371%0.00519%0.185CC..  trans-68.6-42.5-170.9-69.3177000112.2A864 A867 L885 N888 G894 L898 L913 N916A864-I890 WeakPolarHBondContact CA-O 3.46Å; A864-I890 VanDerWaalsContact CB-O 3.28Å; A864-I890 WeakPolarHBondContact CB-O 3.45Å; A867-I890 HydrophobicContact CB-CG1 4.31Å; A867-I890 HydrophobicContact CB-CG2 3.99Å; L885-I890 HydrophobicContact CB-CD1 3.56Å; L885-I890 HydrophobicContact CD1-CD1 3.68Å; L885-I890 HydrophobicContact CG-CD1 4.2Å; N888-I890 HydrophobicContact CB-CD1 4.47Å; N888-I890 HydrophobicContact CB-CG1 4.18Å; I890-G894 PolarHBondContact O-N 3.27Å; I890-L898 HydrophobicContact CD1-CD1 4.31Å; I890-L898 HydrophobicContact CG2-CD1 4.31Å; I890-L913 HydrophobicContact CD1-CD2 3.72Å; I890-N916 HydrophobicContact CB-CB 4.13Å; I890-N916 WeakPolarHBondContact CB-OD1 3.45Å; I890-N916 VanDerWaalsContact CD1-OD1 3.27Å; I890-N916 WeakPolarHBondContact CD1-OD1 3.47Å; I890-N916 WeakPolarHBondContact CG1-OD1 3.38Å; I890-N916 PolarHBondContact N-O 3.4Å; I890-N916 PolarHBondContact N-OD1 2.82Å
891G97.8Very high97.6Very high19 Ų1937.8 Ų37.820%0.19619%0.192CC..Hα-helixtrans59.7-173.7-177.500000114.6A895 N916G891-A895 WeakPolarHBondContact O-CB 3.36Å; G891-A895 PolarHBondContact O-N 3.42Å; G891-N916 PolarHBondContact N-O 3.29Å
892D98.5Very high97.4Very high56 Ų5634.6 Ų34.630%0.29918%0.177SC..Hα-helixtrans-64-46.4-177.9-76.7-25.7000113.3G894 A895 E896 G919 A921 G922D892-G894 VanDerWaalsContact C-N 3.28Å; D892-G894 PolarHBondContact O-N 3.46Å; D892-A895 PolarHBondContact O-N 3.12Å; D892-E896 WeakPolarHBondContact O-CB 3.44Å; D892-E896 PolarHBondContact O-N 3.14Å; D892-G919 VanDerWaalsContact OD1-CA 3.25Å; D892-G919 WeakPolarHBondContact OD1-CA 3.34Å; D892-G919 PolarHBondContact OD1-N 3.28Å; D892-A921 HydrophobicContact CB-CB 4.32Å; D892-G922 VanDerWaalsContact OD1-CA 3.3Å; D892-G922 WeakPolarHBondContact OD1-CA 3.29Å; D892-G922 PolarHBondContact OD1-N 3.24Å
893E98.3Very high97.1Very high117 Ų11733.7 Ų33.755%0.54718%0.176SC..Hα-helixtrans-62.6-35.6-178.5-64.7-173.4-167.700112.9A864 K868 A897A864-E893 HydrophobicContact CB-CB 4.18Å; K868-E893 IonicContact NZ-OE2 3.13Å; K868-E893 PolarHBondContact NZ-OE2 2.71Å; E893-A897 PolarHBondContact O-N 3.44Å
894G98.2Very high96.5Very high0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-72.7-41.3176.100000111.6I890 D892 E896 A897 L898I890-G894 PolarHBondContact O-N 3.27Å; D892-G894 VanDerWaalsContact C-N 3.28Å; D892-G894 PolarHBondContact O-N 3.46Å; G894-E896 VanDerWaalsContact C-N 3.34Å; G894-A897 PolarHBondContact O-N 3.32Å; G894-L898 WeakPolarHBondContact O-CG 3.35Å; G894-L898 PolarHBondContact O-N 3.1Å
895A98.4Very high96.1Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-61.1-42.3175.200000111.8G891 D892 L898 A899 V918 I926G891-A895 WeakPolarHBondContact O-CB 3.36Å; G891-A895 PolarHBondContact O-N 3.42Å; D892-A895 PolarHBondContact O-N 3.12Å; A895-L898 PolarHBondContact O-N 3.45Å; A895-A899 WeakPolarHBondContact O-CB 3.45Å; A895-A899 PolarHBondContact O-N 2.93Å; A895-V918 HydrophobicContact CB-CG1 4.04Å; A895-V918 HydrophobicContact CB-CG2 4.15Å; A895-I926 HydrophobicContact CB-CD1 4.06Å; A895-I926 HydrophobicContact CB-CG1 4.46Å
896E98.6Very high95.8Very high105 Ų10547.4 Ų47.449%0.49124%0.244SC..Hα-helixtrans-61.1-45.5175.3-173.5-173.2168.600111.9D892 G894 L898 A899 N900 A925D892-E896 WeakPolarHBondContact O-CB 3.44Å; D892-E896 PolarHBondContact O-N 3.14Å; G894-E896 VanDerWaalsContact C-N 3.34Å; E896-L898 PolarHBondContact O-N 3.13Å; E896-A899 PolarHBondContact O-N 3.37Å; E896-N900 WeakPolarHBondContact O-CB 3.2Å; E896-N900 PolarHBondContact O-N 3.12Å; E896-N900 PolarHBondContact O-ND2 3.17Å; E896-A925 HydrophobicContact CB-CB 4.01Å; E896-A925 HydrophobicContact CG-CB 4.01Å
897A98.4Very high95.8Very high19 Ų1945.7 Ų45.716%0.15724%0.24CC..Hα-helixtrans-62-43.4177.900000112.3K868 A871 E893 G894 A901K868-A897 HydrophobicContact CB-CB 4.3Å; K868-A897 HydrophobicContact CG-CB 3.56Å; A871-A897 HydrophobicContact CB-CB 4.2Å; A871-A897 WeakPolarHBondContact CB-O 3.42Å; E893-A897 PolarHBondContact O-N 3.44Å; G894-A897 PolarHBondContact O-N 3.32Å; A897-A901 PolarHBondContact O-N 2.75Å; A897-A901 VanDerWaalsContact O-N 3.15Å
898L98.1Very high95.9Very high1 Ų144.8 Ų44.81%0.00523%0.23CC..Hα-helixtrans-63.5-43175.2-68.5171.7000111.3A867 A871 L874 L885 I890 G894 A895 E896 A901 L902 L913A867-L898 HydrophobicContact CB-CD1 4.29Å; A867-L898 HydrophobicContact CB-CG 4.32Å; A871-L898 HydrophobicContact CB-CD2 4.47Å; L874-L898 HydrophobicContact CD1-CD2 3.71Å; L885-L898 HydrophobicContact CD1-CD1 3.65Å; L885-L898 HydrophobicContact CD1-CD2 4.33Å; I890-L898 HydrophobicContact CD1-CD1 4.31Å; I890-L898 HydrophobicContact CG2-CD1 4.31Å; G894-L898 WeakPolarHBondContact O-CG 3.35Å; G894-L898 PolarHBondContact O-N 3.1Å; A895-L898 PolarHBondContact O-N 3.45Å; E896-L898 PolarHBondContact O-N 3.13Å; L898-A901 PolarHBondContact O-N 3.33Å; L898-L902 WeakPolarHBondContact O-CB 3.32Å; L898-L902 VanDerWaalsContact O-CG 3.32Å; L898-L902 WeakPolarHBondContact O-CG 3.44Å; L898-L902 PolarHBondContact O-N 3.44Å; L898-L913 HydrophobicContact CD1-CD2 3.92Å
899A97.1Very high95.9Very high0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-60.8-46.617800000112.2A895 E896 A901 L902 Q903 A925 I929A895-A899 WeakPolarHBondContact O-CB 3.45Å; A895-A899 PolarHBondContact O-N 2.93Å; E896-A899 PolarHBondContact O-N 3.37Å; A899-A901 VanDerWaalsContact C-N 3.27Å; A899-A901 PolarHBondContact O-N 3.09Å; A899-L902 PolarHBondContact O-N 2.89Å; A899-Q903 WeakPolarHBondContact O-CB 3.31Å; A899-Q903 PolarHBondContact O-N 3.2Å; A899-A925 HydrophobicContact CB-CB 4.06Å; A899-A925 WeakPolarHBondContact CB-O 2.96Å; A899-I929 HydrophobicContact CB-CD1 3.85Å; A899-I929 HydrophobicContact CB-CG1 3.88Å
900N96.3Very high95.9Very high81 Ų8139.9 Ų39.943%0.43321%0.21SC..Hα-helixtrans-61.8-34177.2-73.5-29000112.9E896E896-N900 WeakPolarHBondContact O-CB 3.2Å; E896-N900 PolarHBondContact O-N 3.12Å; E896-N900 PolarHBondContact O-ND2 3.17Å
901A96.5Very high95.9Very high17 Ų1739.8 Ų39.814%0.1421%0.209CC..Hα-helixtrans-75.7-33.3176.200000113.1A871 L874 K875 A897 L898 A899A871-A901 HydrophobicContact CB-CB 3.79Å; A871-A901 VanDerWaalsContact O-CB 3.27Å; A871-A901 WeakPolarHBondContact O-CB 3.29Å; L874-A901 HydrophobicContact CB-CB 4.18Å; K875-A901 HydrophobicContact CB-CB 4.42Å; A897-A901 PolarHBondContact O-N 2.75Å; A897-A901 VanDerWaalsContact O-N 3.15Å; L898-A901 PolarHBondContact O-N 3.33Å; A899-A901 VanDerWaalsContact C-N 3.27Å; A899-A901 PolarHBondContact O-N 3.09Å
902L95.5Very high96Very high2 Ų239 Ų391%0.0120%0.201CC..Hα-helixtrans-98.2-9.5-173.2-65.4-179.7000114.5L874 L883 L898 A899 N904 S905 I908 L911 I929L874-L902 HydrophobicContact CB-CD2 4.04Å; L874-L902 HydrophobicContact CD1-CD2 4.31Å; L874-L902 HydrophobicContact CD2-CD2 4.3Å; L874-L902 HydrophobicContact CG-CD2 4.45Å; L883-L902 HydrophobicContact CD2-CD1 4.19Å; L898-L902 WeakPolarHBondContact O-CB 3.32Å; L898-L902 VanDerWaalsContact O-CG 3.32Å; L898-L902 WeakPolarHBondContact O-CG 3.44Å; L898-L902 PolarHBondContact O-N 3.44Å; A899-L902 PolarHBondContact O-N 2.89Å; L902-N904 PolarHBondContact O-N 3.37Å; L902-S905 VanDerWaalsContact O-CB 3.27Å; L902-S905 WeakPolarHBondContact O-CB 3.19Å; L902-S905 PolarHBondContact O-N 3.48Å; L902-I908 HydrophobicContact CD2-CD1 4.44Å; L902-I908 HydrophobicContact CD2-CG1 3.93Å; L902-L911 HydrophobicContact CD1-CD2 4.23Å; L902-I929 HydrophobicContact CB-CD1 4.23Å; L902-I929 HydrophobicContact CB-CG1 4.35Å; L902-I929 HydrophobicContact CB-CG2 4.47Å
903Q90.8Very high95.9Very high58 Ų5836.4 Ų36.427%0.27119%0.187SC..THydrogen-bonded Turntrans-56.1-25.6-175.868178.512.300114.3A899 N932A899-Q903 WeakPolarHBondContact O-CB 3.31Å; A899-Q903 PolarHBondContact O-N 3.2Å; Q903-N932 WeakPolarHBondContact O-CB 3.48Å
904N86.7Confident95.9Very high116 Ų11631.9 Ų31.962%0.6217%0.167SC*.THydrogen-bonded Turntrans-115.120.2177.5-60.6-29.4000111.8L902L902-N904 PolarHBondContact O-N 3.37Å
905S89.3Confident95.8Very high11 Ų1133 Ų338%0.07718%0.179CC..  trans-75.6127.6176.8-175.50000110.2L902 S907 I908L902-S905 VanDerWaalsContact O-CB 3.27Å; L902-S905 WeakPolarHBondContact O-CB 3.19Å; L902-S905 PolarHBondContact O-N 3.48Å; S905-S907 PolarHBondContact OG-N 3Å; S905-S907 PolarHBondContact OG-OG 3.45Å; S905-I908 WeakPolarHBondContact OG-CG1 3.39Å; S905-I908 PolarHBondContact OG-N 2.57Å
906E90.9Very high95.8Very high160 Ų16033.2 Ų33.275%0.74818%0.18SC*.SBendtrans-98.6-0.6175.4-60.7178.8179.100112.5S935E906-S935 VanDerWaalsContact C-OG 3.25Å; E906-S935 WeakPolarHBondContact O-CB 3.45Å; E906-S935 PolarHBondContact O-OG 3.22Å
907S95.3Very high95.7Very high15 Ų1530.2 Ų30.211%0.10518%0.177CC..SBendtrans-111.5-28.8-172.465.90000114H878 L880 Q881 S905 V909 S935H878-S907 VanDerWaalsContact O-CB 3.28Å; H878-S907 WeakPolarHBondContact O-CB 3.3Å; L880-S907 CarbonylContact O-C 3.58Å; L880-S907 VanDerWaalsContact O-C 3.25Å; L880-S907 WeakPolarHBondContact O-CB 3.05Å; L880-S907 PolarHBondContact O-OG 3.27Å; Q881-S907 WeakPolarHBondContact CA-O 3.31Å; Q881-S907 WeakPolarHBondContact CG-O 3.48Å; S905-S907 PolarHBondContact OG-N 3Å; S905-S907 PolarHBondContact OG-OG 3.45Å; S907-V909 PolarHBondContact O-N 3Å; S907-S935 PolarHBondContact N-OG 3.49Å
908I96.6Very high95.7Very high5 Ų529.3 Ų29.33%0.02617%0.169CC..  trans-68.5121.2-175.2-68.9-73.9000109.9L880 L883 L902 S905 L911 S935 L936L880-I908 HydrophobicContact CB-CD1 4.12Å; L880-I908 HydrophobicContact CD2-CD1 4Å; L880-I908 HydrophobicContact CG-CD1 4Å; L880-I908 VanDerWaalsContact O-CD1 3.23Å; L880-I908 WeakPolarHBondContact O-CD1 3.47Å; L880-I908 PolarHBondContact O-N 3.15Å; L883-I908 HydrophobicContact CB-CD1 4.23Å; L902-I908 HydrophobicContact CD2-CD1 4.44Å; L902-I908 HydrophobicContact CD2-CG1 3.93Å; S905-I908 WeakPolarHBondContact OG-CG1 3.39Å; S905-I908 PolarHBondContact OG-N 2.57Å; I908-L911 HydrophobicContact CG2-CB 4.47Å; I908-S935 PolarHBondContact N-OG 3.07Å; I908-S935 CarbonylContact O-C 3.52Å; I908-S935 WeakPolarHBondContact O-CB 3.44Å; I908-S935 PolarHBondContact O-OG 2.96Å; I908-L936 HydrophobicContact CG2-CD1 4.01Å; I908-L936 VanDerWaalsContact O-CA 3.23Å; I908-L936 WeakPolarHBondContact O-CA 3.03Å; I908-L936 PolarHBondContact O-N 2.99Å
909V97.8Very high95.7Very high29 Ų2929.6 Ų29.618%0.17617%0.173CC..  trans-101.7-36.7178177.60000110.9Q881 S907 S935 E937 D938Q881-V909 HydrophobicContact CB-CG2 4.24Å; Q881-V909 HydrophobicContact CG-CG2 4.36Å; Q881-V909 PolarHBondContact O-N 3.46Å; S907-V909 PolarHBondContact O-N 3Å; V909-S935 WeakPolarHBondContact CA-O 3.42Å; V909-E937 HydrophobicContact CG1-CB 4.16Å; V909-E937 HydrophobicContact CG1-CG 3.96Å; V909-E937 PolarHBondContact O-N 3.29Å; V909-D938 PolarHBondContact O-N 2.88Å
910W98.1Very high95.7Very high25 Ų2530.7 Ų30.710%0.09518%0.18CC..EExtended strand (participates in β ladder)trans-136.6127.5-175.8178.285.6000111Q881 Y882 L883 G884 W886 D938 W940Q881-W910 PolarHBondContact O-N 2.72Å; Y882-W910 HydrophobicContact CD1-CB 3.7Å; Y882-W910 HydrophobicContact CD1-CG 4.38Å; Y882-W910 HydrophobicContact CE1-CB 4.22Å; L883-W910 PolarHBondContact N-O 3.25Å; L883-W910 WeakPolarHBondContact O-CZ3 3.5Å; G884-W910 VanDerWaalsContact CA-CZ3 3.46Å; W886-W910 AromaticContact CE3-CH2 3.82Å; W886-W910 HydrophobicContact CE3-CH2 3.82Å; W886-W910 AromaticContact CZ3-CH2 3.6Å; W886-W910 HydrophobicContact CZ3-CH2 3.6Å; W886-W910 HydrophobicContact CZ3-CZ3 4.17Å; W910-D938 WeakPolarHBondContact CA-O 3.29Å; W910-W940 HydrophobicContact CZ2-CD2 4.26Å; W910-W940 AromaticContact CZ2-CE3 3.94Å; W910-W940 HydrophobicContact CZ2-CE3 3.94Å; W910-W940 HydrophobicContact CZ2-CZ3 4.16Å; W910-W940 AromaticContact NE1-CD2 3.64Å; W910-W940 AromaticContact NE1-CE2 3.49Å; W910-W940 AromaticContact NE1-CG 3.99Å; W910-W940 AromaticContact NE1-CZ2 3.91Å; W910-W940 AromaticContact NE1-NE1 3.71Å
911L98Very high95.8Very high0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-126.5124.6174.5176.559.8000110L883 L902 I908 L913 I929 L936 D938 L939 W940L883-L911 HydrophobicContact CB-CD1 4.13Å; L883-L911 HydrophobicContact CD2-CD1 3.91Å; L883-L911 HydrophobicContact CG-CD1 4.01Å; L883-L911 WeakPolarHBondContact O-CA 3.47Å; L902-L911 HydrophobicContact CD1-CD2 4.23Å; I908-L911 HydrophobicContact CG2-CB 4.47Å; L911-L913 HydrophobicContact CD1-CG 4.43Å; L911-L913 HydrophobicContact CG-CG 4.48Å; L911-I929 HydrophobicContact CD2-CD1 3.99Å; L911-L936 HydrophobicContact CB-CD1 4.18Å; L911-D938 PolarHBondContact N-O 3.37Å; L911-D938 VanDerWaalsContact N-O 3.11Å; L911-L939 HydrophobicContact CB-CD1 4.05Å; L911-L939 HydrophobicContact CD2-CD1 3.92Å; L911-L939 HydrophobicContact CG-CD1 3.97Å; L911-L939 WeakPolarHBondContact O-CA 3.47Å; L911-W940 PolarHBondContact O-N 3.09Å
912S98.1Very high95.8Very high2 Ų229.2 Ų29.21%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-122.5120.2176172.30000112.5L883 L885L883-S912 PolarHBondContact O-N 3.48Å; L885-S912 PolarHBondContact N-O 3.44Å
913L97.9Very high96Very high1 Ų129.1 Ų29.11%0.00518%0.179CC..  trans-120.625173.5-62.9173.4000111.3L885 I890 L898 L911 G915 N916 I926 W940 L941 N944L885-L913 HydrophobicContact CB-CD2 4.14Å; L885-L913 HydrophobicContact CD1-CD2 4.15Å; I890-L913 HydrophobicContact CD1-CD2 3.72Å; L898-L913 HydrophobicContact CD1-CD2 3.92Å; L911-L913 HydrophobicContact CD1-CG 4.43Å; L911-L913 HydrophobicContact CG-CG 4.48Å; L913-G915 PolarHBondContact O-N 2.97Å; L913-N916 VanDerWaalsContact C-ND2 3.27Å; L913-N916 WeakPolarHBondContact O-CB 3.3Å; L913-N916 PolarHBondContact O-ND2 3.08Å; L913-I926 HydrophobicContact CD1-CD1 3.6Å; L913-I926 HydrophobicContact CD1-CG1 4.44Å; L913-W940 CarbonylContact C-O 3.25Å; L913-W940 PolarHBondContact N-O 3.38Å; L913-L941 HydrophobicContact CB-CD2 4Å; L913-L941 HydrophobicContact CD1-CD2 4.28Å; L913-N944 PolarHBondContact O-ND2 3Å
914V97.8Very high96.3Very high23 Ų2329.2 Ų29.214%0.13919%0.185CC..THydrogen-bonded Turntrans-51.4137.3176.3174.70000111.2W886 G887 N916 W940 T942 E943W886-V914 CarbonylContact C-O 3.11Å; W886-V914 WeakPolarHBondContact CA-O 3.32Å; W886-V914 HydrophobicContact CB-CB 3.8Å; W886-V914 WeakPolarHBondContact CB-O 3.36Å; G887-V914 PolarHBondContact N-O 3.4Å; V914-N916 PolarHBondContact O-ND2 2.88Å; V914-W940 HydrophobicContact CG2-CB 3.61Å; V914-W940 HydrophobicContact CG2-CE3 4.29Å; V914-W940 PolarHBondContact N-O 3.14Å; V914-T942 CarbonylContact C-O 3.56Å; V914-T942 WeakPolarHBondContact CA-O 3.23Å; V914-T942 HydrophobicContact CG1-CG2 4.26Å; V914-T942 WeakPolarHBondContact CG1-O 3.41Å; V914-E943 HydrophobicContact CG1-CB 4.45Å
915G96.7Very high96.8Very high23 Ų2324.2 Ų24.224%0.23716%0.16CC..THydrogen-bonded Turntrans6543.9172.300000114.4G887 N888 L913 T942 E943G887-G915 VanDerWaalsContact CA-O 3.26Å; G887-G915 WeakPolarHBondContact CA-O 3.48Å; G887-G915 PolarHBondContact N-O 3.28Å; N888-G915 PolarHBondContact N-O 3.2Å; L913-G915 PolarHBondContact O-N 2.97Å; G915-T942 PolarHBondContact N-O 3.38Å; G915-E943 WeakPolarHBondContact CA-O 3.49Å; G915-E943 PolarHBondContact N-O 3.26Å; G915-E943 VanDerWaalsContact N-O 3.13Å
916N97.9Very high97.2Very high5 Ų523.8 Ų23.83%0.02716%0.157CC..SBendtrans-121.11.1-174.2-88.9-80.5000115.7L885 N888 I890 G891 L913 V914 V918 N944L885-N916 PolarHBondContact O-ND2 2.86Å; L885-N916 PolarHBondContact O-OD1 2.91Å; N888-N916 WeakPolarHBondContact CA-OD1 3.26Å; N888-N916 WeakPolarHBondContact CB-OD1 3.36Å; N888-N916 PolarHBondContact N-OD1 3.45Å; N888-N916 WeakPolarHBondContact O-CA 3.43Å; N888-N916 PolarHBondContact O-OD1 2.97Å; I890-N916 HydrophobicContact CB-CB 4.13Å; I890-N916 WeakPolarHBondContact CB-OD1 3.45Å; I890-N916 VanDerWaalsContact CD1-OD1 3.27Å; I890-N916 WeakPolarHBondContact CD1-OD1 3.47Å; I890-N916 WeakPolarHBondContact CG1-OD1 3.38Å; I890-N916 PolarHBondContact N-O 3.4Å; I890-N916 PolarHBondContact N-OD1 2.82Å; G891-N916 PolarHBondContact N-O 3.29Å; L913-N916 VanDerWaalsContact C-ND2 3.27Å; L913-N916 WeakPolarHBondContact O-CB 3.3Å; L913-N916 PolarHBondContact O-ND2 3.08Å; V914-N916 PolarHBondContact O-ND2 2.88Å; N916-V918 HydrophobicContact CB-CG2 3.92Å; N916-V918 PolarHBondContact O-N 3.19Å; N916-N944 WeakPolarHBondContact CA-OD1 3.05Å; N916-N944 PolarHBondContact N-OD1 2.59Å
917G96.8Very high97.5Very high41 Ų4116.8 Ų16.842%0.42313%0.126SC..  trans63.730.8-174.600000112.9G919 N944G917-G919 PolarHBondContact O-N 3.44Å; G917-N944 PolarHBondContact N-OD1 2.64Å
918V98.1Very high97.4Very high0 Ų019 Ų190%014%0.136CC..  trans-72.6124.3173.9-179.50000108.5A895 N916 I926 N944 C945 I946A895-V918 HydrophobicContact CB-CG1 4.04Å; A895-V918 HydrophobicContact CB-CG2 4.15Å; N916-V918 HydrophobicContact CB-CG2 3.92Å; N916-V918 PolarHBondContact O-N 3.19Å; V918-I926 HydrophobicContact CG1-CD1 4.25Å; V918-N944 HydrophobicContact CB-CB 4.28Å; V918-N944 PolarHBondContact N-OD1 2.95Å; V918-N944 WeakPolarHBondContact O-CB 3.32Å; V918-C945 CarbonylContact O-C 3.56Å; V918-C945 WeakPolarHBondContact O-CA 3.28Å; V918-C945 PolarHBondContact O-N 3.2Å; V918-I946 WeakPolarHBondContact O-CG1 3.43Å; V918-I946 PolarHBondContact O-N 3.37Å
919G97.9Very high97.3Very high8 Ų819 Ų198%0.08214%0.136CC..BIsolated β-bridgetrans-95.3-170.5174.700000112.8D892 G917 A921 G922 A923 C945D892-G919 VanDerWaalsContact OD1-CA 3.25Å; D892-G919 WeakPolarHBondContact OD1-CA 3.34Å; D892-G919 PolarHBondContact OD1-N 3.28Å; G917-G919 PolarHBondContact O-N 3.44Å; G919-A921 VanDerWaalsContact C-N 3.27Å; G919-A921 PolarHBondContact O-N 3.41Å; G919-G922 PolarHBondContact O-N 2.96Å; G919-A923 PolarHBondContact O-N 3.15Å; G919-C945 WeakPolarHBondContact CA-O 3.38Å
920S97.4Very high97.1Very high23 Ų2317.6 Ų17.616%0.16113%0.128CC..Hα-helixtrans-65.1-27.6-179.5-60.60000113.6C924 T947 T949 G950S920-C924 VanDerWaalsContact O-CB 3.3Å; S920-C924 WeakPolarHBondContact O-CB 3.49Å; S920-C924 PolarHBondContact O-N 3.32Å; S920-T947 PolarHBondContact OG-N 2.96Å; S920-T947 PolarHBondContact OG-OG1 3.1Å; S920-T949 VanDerWaalsContact CB-OG1 3.25Å; S920-T949 WeakPolarHBondContact CB-OG1 3.28Å; S920-T949 PolarHBondContact OG-OG1 3.17Å; S920-G950 PolarHBondContact OG-N 3.28Å
921A97.7Very high96.9Very high67 Ų6721.9 Ų21.955%0.55415%0.147SC*.Hα-helixtrans-68.4-44.8175.600000111.4D892 G919 C924 A925D892-A921 HydrophobicContact CB-CB 4.32Å; G919-A921 VanDerWaalsContact C-N 3.27Å; G919-A921 PolarHBondContact O-N 3.41Å; A921-C924 WeakPolarHBondContact O-CB 3.29Å; A921-C924 PolarHBondContact O-N 3.03Å; A921-A925 PolarHBondContact O-N 3.12Å
922G97.8Very high96.5Very high0 Ų025.5 Ų25.50%017%0.166CC..Hα-helixtrans-65.3-40.9173.800000112.3D892 G919 C924 A925 I926D892-G922 VanDerWaalsContact OD1-CA 3.3Å; D892-G922 WeakPolarHBondContact OD1-CA 3.29Å; D892-G922 PolarHBondContact OD1-N 3.24Å; G919-G922 PolarHBondContact O-N 2.96Å; G922-C924 VanDerWaalsContact C-N 3.33Å; G922-C924 PolarHBondContact O-N 3.42Å; G922-A925 PolarHBondContact O-N 3.05Å; G922-I926 VanDerWaalsContact O-CG1 3.27Å; G922-I926 WeakPolarHBondContact O-CG1 3.46Å; G922-I926 PolarHBondContact O-N 3.11Å
923A97.8Very high96Very high0 Ų025.6 Ų25.60%017%0.167CC..Hα-helixtrans-60.5-41.217400000112.3G919 A925 I926 S927 I946 L954G919-A923 PolarHBondContact O-N 3.15Å; A923-A925 PolarHBondContact O-N 3.37Å; A923-I926 PolarHBondContact O-N 3.31Å; A923-S927 PolarHBondContact O-N 3.04Å; A923-I946 HydrophobicContact CB-CD1 4.06Å; A923-I946 HydrophobicContact CB-CG1 4.16Å; A923-I946 HydrophobicContact CB-CG2 3.89Å; A923-L954 HydrophobicContact CB-CD1 4.42Å
924C97.7Very high95.7Very high59 Ų5930 Ų3040%0.39919%0.194SC..Hα-helixtrans-60.6-44173.7-177.20000111.5S920 A921 G922 I926 S927S920-C924 VanDerWaalsContact O-CB 3.3Å; S920-C924 WeakPolarHBondContact O-CB 3.49Å; S920-C924 PolarHBondContact O-N 3.32Å; A921-C924 WeakPolarHBondContact O-CB 3.29Å; A921-C924 PolarHBondContact O-N 3.03Å; G922-C924 VanDerWaalsContact C-N 3.33Å; G922-C924 PolarHBondContact O-N 3.42Å; C924-I926 PolarHBondContact O-N 2.94Å; C924-S927 VanDerWaalsContact O-CB 3.29Å; C924-S927 WeakPolarHBondContact O-CB 3.28Å; C924-S927 PolarHBondContact O-N 3.26Å; C924-S927 PolarHBondContact O-OG 3.02Å
925A97.5Very high95.5Very high12 Ų1229.6 Ų29.610%0.09919%0.192CC..Hα-helixtrans-62.5-43.9174.800000112.2E896 A899 A921 G922 A923 S927 N928E896-A925 HydrophobicContact CB-CB 4.01Å; E896-A925 HydrophobicContact CG-CB 4.01Å; A899-A925 HydrophobicContact CB-CB 4.06Å; A899-A925 WeakPolarHBondContact CB-O 2.96Å; A921-A925 PolarHBondContact O-N 3.12Å; G922-A925 PolarHBondContact O-N 3.05Å; A923-A925 PolarHBondContact O-N 3.37Å; A925-S927 PolarHBondContact O-N 3.4Å; A925-N928 WeakPolarHBondContact O-CB 3.34Å; A925-N928 PolarHBondContact O-N 3.3Å; A925-N928 VanDerWaalsContact O-N 3.09Å
926I97.4Very high95.5Very high1 Ų128.5 Ų28.51%0.00518%0.181CC..Hα-helixtrans-61.8-29.2177.7-68.1162.7000112A895 L913 V918 G922 A923 C924 N928 I929 I930 L939 L941 L954A895-I926 HydrophobicContact CB-CD1 4.06Å; A895-I926 HydrophobicContact CB-CG1 4.46Å; L913-I926 HydrophobicContact CD1-CD1 3.6Å; L913-I926 HydrophobicContact CD1-CG1 4.44Å; V918-I926 HydrophobicContact CG1-CD1 4.25Å; G922-I926 VanDerWaalsContact O-CG1 3.27Å; G922-I926 WeakPolarHBondContact O-CG1 3.46Å; G922-I926 PolarHBondContact O-N 3.11Å; A923-I926 PolarHBondContact O-N 3.31Å; C924-I926 PolarHBondContact O-N 2.94Å; I926-N928 PolarHBondContact O-N 2.85Å; I926-N928 VanDerWaalsContact O-N 3.12Å; I926-I929 HydrophobicContact CG1-CD1 4.46Å; I926-I929 HydrophobicContact CG2-CD1 4.22Å; I926-I929 WeakPolarHBondContact O-CA 3.29Å; I926-I929 VanDerWaalsContact O-CB 3.29Å; I926-I929 WeakPolarHBondContact O-CB 2.89Å; I926-I929 PolarHBondContact O-N 3.29Å; I926-I930 PolarHBondContact O-N 2.98Å; I926-L939 HydrophobicContact CG2-CD1 4.19Å; I926-L939 HydrophobicContact CG2-CD2 3.58Å; I926-L941 HydrophobicContact CD1-CD2 3.88Å; I926-L954 HydrophobicContact CG2-CD2 4.33Å
927S96.4Very high95.4Very high14 Ų1430.9 Ų30.910%0.09819%0.192CC..Hα-helixtrans-56.4-28.4175.183.80000112.8A923 C924 A925 I929 I930 K931 A957A923-S927 PolarHBondContact O-N 3.04Å; C924-S927 VanDerWaalsContact O-CB 3.29Å; C924-S927 WeakPolarHBondContact O-CB 3.28Å; C924-S927 PolarHBondContact O-N 3.26Å; C924-S927 PolarHBondContact O-OG 3.02Å; A925-S927 PolarHBondContact O-N 3.4Å; S927-I929 VanDerWaalsContact C-N 3.33Å; S927-I929 PolarHBondContact O-N 2.98Å; S927-I930 PolarHBondContact O-N 3.2Å; S927-K931 WeakPolarHBondContact O-CB 3.45Å; S927-K931 PolarHBondContact O-N 3.48Å; S927-A957 VanDerWaalsContact O-CB 3.23Å; S927-A957 WeakPolarHBondContact O-CB 3.44Å
928N93.2Very high95.5Very high61 Ų6131.1 Ų31.133%0.32618%0.184SC..Hα-helixtrans-67.5-31.6174.2-66.6-38.8000112.8A925 I926 K931 N932A925-N928 WeakPolarHBondContact O-CB 3.34Å; A925-N928 PolarHBondContact O-N 3.3Å; A925-N928 VanDerWaalsContact O-N 3.09Å; I926-N928 PolarHBondContact O-N 2.85Å; I926-N928 VanDerWaalsContact O-N 3.12Å; N928-K931 PolarHBondContact O-N 3.41Å; N928-N932 PolarHBondContact O-N 2.98Å
929I94.4Very high95.5Very high4 Ų431.1 Ų31.12%0.02118%0.184CC..Hα-helixtrans-64.6-48.7173-52.4170.8000109.2A899 L902 L911 I926 S927 K931 N932 S933 L936A899-I929 HydrophobicContact CB-CD1 3.85Å; A899-I929 HydrophobicContact CB-CG1 3.88Å; L902-I929 HydrophobicContact CB-CD1 4.23Å; L902-I929 HydrophobicContact CB-CG1 4.35Å; L902-I929 HydrophobicContact CB-CG2 4.47Å; L911-I929 HydrophobicContact CD2-CD1 3.99Å; I926-I929 HydrophobicContact CG1-CD1 4.46Å; I926-I929 HydrophobicContact CG2-CD1 4.22Å; I926-I929 WeakPolarHBondContact O-CA 3.29Å; I926-I929 VanDerWaalsContact O-CB 3.29Å; I926-I929 WeakPolarHBondContact O-CB 2.89Å; I926-I929 PolarHBondContact O-N 3.29Å; S927-I929 VanDerWaalsContact C-N 3.33Å; S927-I929 PolarHBondContact O-N 2.98Å; I929-K931 VanDerWaalsContact C-N 3.32Å; I929-K931 PolarHBondContact O-N 3.03Å; I929-N932 PolarHBondContact O-N 3.43Å; I929-S933 WeakPolarHBondContact O-CB 3.09Å; I929-S933 PolarHBondContact O-N 2.96Å; I929-L936 HydrophobicContact CG2-CD2 4.07Å
930I94.9Very high95.5Very high0 Ų035.2 Ų35.20%020%0.197CC..Hα-helixtrans-58.2-47.7177.6-63.8175.8000109.9I926 S927 N932 L936 L939 L954 A957 L958 N961 V964 V967I926-I930 PolarHBondContact O-N 2.98Å; S927-I930 PolarHBondContact O-N 3.2Å; I930-N932 VanDerWaalsContact C-N 3.26Å; I930-N932 PolarHBondContact O-N 3Å; I930-L936 HydrophobicContact CG1-CD2 4.46Å; I930-L939 HydrophobicContact CD1-CD2 3.82Å; I930-L939 HydrophobicContact CG1-CD2 4.13Å; I930-L954 HydrophobicContact CD1-CB 4.46Å; I930-L954 HydrophobicContact CD1-CD2 3.68Å; I930-A957 HydrophobicContact CB-CB 3.91Å; I930-A957 HydrophobicContact CG2-CB 3.8Å; I930-L958 HydrophobicContact CD1-CG 4.47Å; I930-L958 HydrophobicContact CG2-CD2 3.77Å; I930-L958 HydrophobicContact CG2-CG 4.07Å; I930-N961 HydrophobicContact CG2-CB 3.91Å; I930-N961 VanDerWaalsContact O-CB 3.28Å; I930-N961 WeakPolarHBondContact O-CB 3.41Å; I930-N961 PolarHBondContact O-ND2 3.1Å; I930-V964 HydrophobicContact CG2-CG2 4.18Å; I930-V967 HydrophobicContact CD1-CG2 4.3Å
931K93.1Very high95.5Very high115 Ų11534.1 Ų34.150%0.519%0.189SC..Hα-helixtrans-59.3-37.1-175.6-171.2177.7179.6-179.50113.1S927 N928 I929 A957S927-K931 WeakPolarHBondContact O-CB 3.45Å; S927-K931 PolarHBondContact O-N 3.48Å; N928-K931 PolarHBondContact O-N 3.41Å; I929-K931 VanDerWaalsContact C-N 3.32Å; I929-K931 PolarHBondContact O-N 3.03Å; K931-A957 HydrophobicContact CB-CB 4.3Å
932N90.4Very high95.5Very high76 Ų7631.8 Ų31.841%0.40617%0.168SC..Hα-helixtrans-106.2-18-170.8-65.9-15.9000114.3Q903 N928 I929 I930Q903-N932 WeakPolarHBondContact O-CB 3.48Å; N928-N932 PolarHBondContact O-N 2.98Å; I929-N932 PolarHBondContact O-N 3.43Å; I930-N932 VanDerWaalsContact C-N 3.26Å; I930-N932 PolarHBondContact O-N 3Å
933S88.3Confident95.4Very high4 Ų437 Ų373%0.02819%0.193CC..  trans-73.6136.2-175.1-175.10000112.6I929 S935 L936 N961I929-S933 WeakPolarHBondContact O-CB 3.09Å; I929-S933 PolarHBondContact O-N 2.96Å; S933-S935 PolarHBondContact OG-N 2.85Å; S933-L936 VanDerWaalsContact OG-CB 3.26Å; S933-L936 WeakPolarHBondContact OG-CB 2.94Å; S933-L936 PolarHBondContact OG-N 3.42Å; S933-N961 PolarHBondContact O-ND2 2.97Å
934T90.1Very high95.5Very high94 Ų9437.3 Ų37.358%0.57719%0.194SC*.SBendtrans-103.8-0.117455.70000113.3H963T934-H963 PolarHBondContact O-CD2 2.95Å; T934-H963 PolarHBondContact O-NE2 2.81Å
935S94.6Very high95.4Very high14 Ų1437.4 Ų37.410%0.09820%0.195CC..SBendtrans-128.1-22.1-171.960.60000114.1E906 S907 I908 V909 S933 E937 H963E906-S935 VanDerWaalsContact C-OG 3.25Å; E906-S935 WeakPolarHBondContact O-CB 3.45Å; E906-S935 PolarHBondContact O-OG 3.22Å; S907-S935 PolarHBondContact N-OG 3.49Å; I908-S935 PolarHBondContact N-OG 3.07Å; I908-S935 CarbonylContact O-C 3.52Å; I908-S935 WeakPolarHBondContact O-CB 3.44Å; I908-S935 PolarHBondContact O-OG 2.96Å; V909-S935 WeakPolarHBondContact CA-O 3.42Å; S933-S935 PolarHBondContact OG-N 2.85Å; S935-E937 PolarHBondContact O-N 3.28Å; S935-H963 WeakPolarHBondContact CA-NE2 3.32Å; S935-H963 PolarHBondContact O-NE2 3.48Å
936L96.3Very high95.4Very high1 Ų136.9 Ų36.91%0.00519%0.19CC..  trans-67.6118.3-177.2-178.970.1000109.8I908 L911 I929 I930 S933 L939 H963 V964I908-L936 HydrophobicContact CG2-CD1 4.01Å; I908-L936 VanDerWaalsContact O-CA 3.23Å; I908-L936 WeakPolarHBondContact O-CA 3.03Å; I908-L936 PolarHBondContact O-N 2.99Å; L911-L936 HydrophobicContact CB-CD1 4.18Å; I929-L936 HydrophobicContact CG2-CD2 4.07Å; I930-L936 HydrophobicContact CG1-CD2 4.46Å; S933-L936 VanDerWaalsContact OG-CB 3.26Å; S933-L936 WeakPolarHBondContact OG-CB 2.94Å; S933-L936 PolarHBondContact OG-N 3.42Å; L936-L939 HydrophobicContact CD2-CB 4.45Å; L936-H963 PolarHBondContact O-CD2 3.32Å; L936-V964 HydrophobicContact CB-CG2 4.28Å; L936-V964 HydrophobicContact CD2-CG2 4.11Å; L936-V964 HydrophobicContact CG-CG2 4.18Å; L936-V964 VanDerWaalsContact O-CA 3.29Å; L936-V964 WeakPolarHBondContact O-CA 3.43Å; L936-V964 VanDerWaalsContact O-CG2 3.27Å; L936-V964 WeakPolarHBondContact O-CG2 3.35Å; L936-V964 PolarHBondContact O-N 3.08Å
937E96.8Very high95.4Very high55 Ų5539.4 Ų39.426%0.25721%0.206SC..  trans-99.9-42.4177-64.3-168.816100111.1V909 S935 K965 S966V909-E937 HydrophobicContact CG1-CB 4.16Å; V909-E937 HydrophobicContact CG1-CG 3.96Å; V909-E937 PolarHBondContact O-N 3.29Å; S935-E937 PolarHBondContact O-N 3.28Å; E937-K965 HydrophobicContact CB-CD 4.19Å; E937-K965 HydrophobicContact CB-CG 4.35Å; E937-K965 HydrophobicContact CG-CD 4.39Å; E937-K965 WeakPolarHBondContact O-CA 3.34Å; E937-K965 PolarHBondContact O-N 3.31Å; E937-K965 WeakPolarHBondContact OE1-CE 3.47Å; E937-K965 IonicContact OE1-NZ 2.71Å; E937-K965 PolarHBondContact OE1-NZ 2.99Å; E937-K965 IonicContact OE2-NZ 2.83Å; E937-K965 PolarHBondContact OE2-NZ 3.41Å; E937-S966 PolarHBondContact O-N 3.36Å; E937-S966 VanDerWaalsContact O-N 3.15Å
938D97.6Very high95.4Very high45 Ų4542 Ų4224%0.24121%0.213CC..EExtended strand (participates in β ladder)trans-132.5125.9-170.3-69.9-49.5000111.6V909 W910 L911 S966V909-D938 PolarHBondContact O-N 2.88Å; W910-D938 WeakPolarHBondContact CA-O 3.29Å; L911-D938 PolarHBondContact N-O 3.37Å; L911-D938 VanDerWaalsContact N-O 3.11Å; D938-S966 PolarHBondContact OD1-OG 2.91Å
939L97.8Very high95.6Very high0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-121.2118.7176.6175.962.8000110.3L911 I926 I930 L936 L941 S966 V967 W968L911-L939 HydrophobicContact CB-CD1 4.05Å; L911-L939 HydrophobicContact CD2-CD1 3.92Å; L911-L939 HydrophobicContact CG-CD1 3.97Å; L911-L939 WeakPolarHBondContact O-CA 3.47Å; I926-L939 HydrophobicContact CG2-CD1 4.19Å; I926-L939 HydrophobicContact CG2-CD2 3.58Å; I930-L939 HydrophobicContact CD1-CD2 3.82Å; I930-L939 HydrophobicContact CG1-CD2 4.13Å; L936-L939 HydrophobicContact CD2-CB 4.45Å; L939-L941 HydrophobicContact CD1-CD2 4.48Å; L939-L941 HydrophobicContact CD1-CG 4.35Å; L939-L941 HydrophobicContact CD2-CD1 3.92Å; L939-L941 HydrophobicContact CD2-CG 4.42Å; L939-L941 HydrophobicContact CG-CD1 4.12Å; L939-L941 HydrophobicContact CG-CG 4.08Å; L939-S966 PolarHBondContact N-O 2.92Å; L939-V967 HydrophobicContact CB-CG1 4.49Å; L939-V967 HydrophobicContact CB-CG2 4.34Å; L939-V967 HydrophobicContact CD2-CG1 4.14Å; L939-V967 HydrophobicContact CG-CG1 4.39Å; L939-V967 CarbonylContact O-C 3.58Å; L939-V967 VanDerWaalsContact O-CA 3.31Å; L939-V967 WeakPolarHBondContact O-CA 3.38Å; L939-W968 PolarHBondContact O-N 3.46Å
940W98.3Very high95.7Very high94 Ų9442.6 Ų42.636%0.35622%0.219SC..EExtended strand (participates in β ladder)trans-108.2114.8-177.5-63.77.5000111.6W910 L911 L913 V914 W968W910-W940 HydrophobicContact CZ2-CD2 4.26Å; W910-W940 AromaticContact CZ2-CE3 3.94Å; W910-W940 HydrophobicContact CZ2-CE3 3.94Å; W910-W940 HydrophobicContact CZ2-CZ3 4.16Å; W910-W940 AromaticContact NE1-CD2 3.64Å; W910-W940 AromaticContact NE1-CE2 3.49Å; W910-W940 AromaticContact NE1-CG 3.99Å; W910-W940 AromaticContact NE1-CZ2 3.91Å; W910-W940 AromaticContact NE1-NE1 3.71Å; L911-W940 PolarHBondContact O-N 3.09Å; L913-W940 CarbonylContact C-O 3.25Å; L913-W940 PolarHBondContact N-O 3.38Å; V914-W940 HydrophobicContact CG2-CB 3.61Å; V914-W940 HydrophobicContact CG2-CE3 4.29Å; V914-W940 PolarHBondContact N-O 3.14Å; W940-W968 AromaticContact CD1-CD1 3.3Å; W940-W968 AromaticContact CD1-CG 3.75Å; W940-W968 AromaticContact CD1-NE1 3.82Å; W940-W968 HydrophobicContact CG-CB 4.44Å; W940-W968 HydrophobicContact CG-CG 4.3Å; W940-W968 AromaticContact NE1-CD1 3.44Å; W940-W968 AromaticContact NE1-CE2 4Å; W940-W968 AromaticContact NE1-CG 4Å; W940-W968 AromaticContact NE1-NE1 3.44Å
941L98Very high95.8Very high0 Ų042.6 Ų42.60%022%0.219CC..  trans-124.915.1-178.5-63.9171000112.7L913 I926 L939 N944 I946 L954 V967 W968 L969 N972L913-L941 HydrophobicContact CB-CD2 4Å; L913-L941 HydrophobicContact CD1-CD2 4.28Å; I926-L941 HydrophobicContact CD1-CD2 3.88Å; L939-L941 HydrophobicContact CD1-CD2 4.48Å; L939-L941 HydrophobicContact CD1-CG 4.35Å; L939-L941 HydrophobicContact CD2-CD1 3.92Å; L939-L941 HydrophobicContact CD2-CG 4.42Å; L939-L941 HydrophobicContact CG-CD1 4.12Å; L939-L941 HydrophobicContact CG-CG 4.08Å; L941-N944 WeakPolarHBondContact O-CB 3.22Å; L941-N944 PolarHBondContact O-ND2 2.7Å; L941-I946 HydrophobicContact CB-CD1 3.81Å; L941-I946 HydrophobicContact CD1-CD1 3.91Å; L941-I946 HydrophobicContact CD2-CD1 4.41Å; L941-I946 HydrophobicContact CG-CD1 4.26Å; L941-L954 HydrophobicContact CD1-CD1 3.78Å; L941-L954 HydrophobicContact CD1-CD2 4.49Å; L941-V967 HydrophobicContact CD1-CG1 4.34Å; L941-W968 CarbonylContact C-O 3.53Å; L941-W968 VanDerWaalsContact CA-O 3.23Å; L941-W968 WeakPolarHBondContact CA-O 3.39Å; L941-W968 WeakPolarHBondContact CB-O 3.36Å; L941-W968 PolarHBondContact N-O 3.03Å; L941-L969 HydrophobicContact CB-CD2 4Å; L941-L969 HydrophobicContact CD1-CD2 4.24Å; L941-N972 PolarHBondContact O-ND2 2.57Å
942T97.5Very high96Very high19 Ų1941.4 Ų41.412%0.11722%0.216CC..  trans-50.8147.9173.9-58.30000112.4V914 G915 N944 W968 K970V914-T942 CarbonylContact C-O 3.56Å; V914-T942 WeakPolarHBondContact CA-O 3.23Å; V914-T942 HydrophobicContact CG1-CG2 4.26Å; V914-T942 WeakPolarHBondContact CG1-O 3.41Å; G915-T942 PolarHBondContact N-O 3.38Å; T942-N944 PolarHBondContact O-ND2 3.44Å; T942-N944 VanDerWaalsContact O-ND2 3.16Å; T942-W968 PolarHBondContact N-O 3.21Å; T942-W968 VanDerWaalsContact N-O 3.11Å; T942-K970 CarbonylContact C-O 3.37Å; T942-K970 WeakPolarHBondContact CA-O 3.32Å; T942-K970 HydrophobicContact CG2-CB 3.89Å; T942-K970 HydrophobicContact CG2-CG 4.41Å; T942-K970 WeakPolarHBondContact CG2-O 3.4Å
943E96.6Very high96.4Very high110 Ų11039.1 Ų39.151%0.51421%0.206SC..SBendtrans56.152.7176.8-69.3170.3-16200113V914 G915 K970 N971V914-E943 HydrophobicContact CG1-CB 4.45Å; G915-E943 WeakPolarHBondContact CA-O 3.49Å; G915-E943 PolarHBondContact N-O 3.26Å; G915-E943 VanDerWaalsContact N-O 3.13Å; E943-K970 PolarHBondContact N-O 3.31Å; E943-N971 VanDerWaalsContact CA-O 3.32Å; E943-N971 WeakPolarHBondContact CA-O 3.34Å; E943-N971 HydrophobicContact CG-CB 3.69Å; E943-N971 PolarHBondContact OE1-ND2 3.36Å
944N98.1Very high96.8Very high6 Ų639 Ų393%0.03221%0.205CC..SBendtrans-127.1-175.4174.9-80.8-70.7000110.2L913 N916 G917 V918 L941 T942 I946 N972L913-N944 PolarHBondContact O-ND2 3Å; N916-N944 WeakPolarHBondContact CA-OD1 3.05Å; N916-N944 PolarHBondContact N-OD1 2.59Å; G917-N944 PolarHBondContact N-OD1 2.64Å; V918-N944 HydrophobicContact CB-CB 4.28Å; V918-N944 PolarHBondContact N-OD1 2.95Å; V918-N944 WeakPolarHBondContact O-CB 3.32Å; L941-N944 WeakPolarHBondContact O-CB 3.22Å; L941-N944 PolarHBondContact O-ND2 2.7Å; T942-N944 PolarHBondContact O-ND2 3.44Å; T942-N944 VanDerWaalsContact O-ND2 3.16Å; N944-I946 HydrophobicContact CB-CD1 4.27Å; N944-I946 HydrophobicContact CB-CG1 4.09Å; N944-N972 WeakPolarHBondContact CA-OD1 3.3Å; N944-N972 WeakPolarHBondContact CB-OD1 3.49Å; N944-N972 PolarHBondContact N-OD1 2.89Å; N944-N972 WeakPolarHBondContact O-CA 3.33Å; N944-N972 PolarHBondContact O-OD1 2.94Å; N944-N972 VanDerWaalsContact O-OD1 3.08Å
945C97Very high97.1Very high61 Ų6135 Ų3541%0.41218%0.181SC..BIsolated β-bridgetrans-103.833.9-177.7-560000111.5V918 G919 T947 D973V918-C945 CarbonylContact O-C 3.56Å; V918-C945 WeakPolarHBondContact O-CA 3.28Å; V918-C945 PolarHBondContact O-N 3.2Å; G919-C945 WeakPolarHBondContact CA-O 3.38Å; C945-T947 PolarHBondContact O-N 3.32Å; C945-D973 VanDerWaalsContact CA-OD2 3.23Å; C945-D973 WeakPolarHBondContact CA-OD2 3.33Å; C945-D973 WeakPolarHBondContact CB-OD2 3.32Å
946I97.9Very high97.2Very high0 Ų040.4 Ų40.40%020%0.204CC..  trans-80.9121.2-174.8-55.7173.4000108.9V918 A923 L941 N944 V951 L969 N972 D973V918-I946 WeakPolarHBondContact O-CG1 3.43Å; V918-I946 PolarHBondContact O-N 3.37Å; A923-I946 HydrophobicContact CB-CD1 4.06Å; A923-I946 HydrophobicContact CB-CG1 4.16Å; A923-I946 HydrophobicContact CB-CG2 3.89Å; L941-I946 HydrophobicContact CB-CD1 3.81Å; L941-I946 HydrophobicContact CD1-CD1 3.91Å; L941-I946 HydrophobicContact CD2-CD1 4.41Å; L941-I946 HydrophobicContact CG-CD1 4.26Å; N944-I946 HydrophobicContact CB-CD1 4.27Å; N944-I946 HydrophobicContact CB-CG1 4.09Å; I946-V951 HydrophobicContact CG2-CG2 3.99Å; I946-L969 HydrophobicContact CD1-CD2 3.96Å; I946-N972 HydrophobicContact CB-CB 4.3Å; I946-N972 WeakPolarHBondContact CB-OD1 3.25Å; I946-N972 VanDerWaalsContact CG1-OD1 3.29Å; I946-N972 WeakPolarHBondContact CG1-OD1 3.35Å; I946-N972 PolarHBondContact N-OD1 3.49Å; I946-N972 VanDerWaalsContact N-OD1 3.08Å; I946-D973 PolarHBondContact O-N 3.26Å
947T97.4Very high97.1Very high54 Ų5440.7 Ų40.733%0.33121%0.206SC..  trans-94.2178.6174.770.60000111.1S920 C945 T949 G950 V951 D973S920-T947 PolarHBondContact OG-N 2.96Å; S920-T947 PolarHBondContact OG-OG1 3.1Å; C945-T947 PolarHBondContact O-N 3.32Å; T947-T949 PolarHBondContact O-N 2.97Å; T947-T949 VanDerWaalsContact O-N 3.09Å; T947-T949 PolarHBondContact OG1-OG1 3.38Å; T947-G950 PolarHBondContact O-N 3.39Å; T947-V951 PolarHBondContact O-N 3.18Å; T947-D973 HydrophobicContact CG2-CB 3.98Å
948R96.3Very high97.1Very high68 Ų6838 Ų3826%0.25719%0.194SC..Hα-helixtrans-44.8-43176.7168.5160.1-166134.46.4114.2G950 V951 E952 L974 E978 E981 M982R948-G950 VanDerWaalsContact C-N 3.31Å; R948-G950 PolarHBondContact O-N 2.99Å; R948-V951 PolarHBondContact O-N 2.66Å; R948-E952 HydrophobicContact CG-CG 4.25Å; R948-E952 WeakPolarHBondContact CG-OE1 3.3Å; R948-E952 IonicContact CZ-OE1 2.71Å; R948-E952 IonicContact NE-OE1 3.56Å; R948-E952 PolarHBondContact NE-OE1 3.19Å; R948-E952 IonicContact NH2-OE1 3.6Å; R948-E952 WeakPolarHBondContact O-CG 3.33Å; R948-E952 PolarHBondContact O-N 3.5Å; R948-L974 HydrophobicContact CB-CD2 4.38Å; R948-E978 WeakPolarHBondContact CB-OE1 3.49Å; R948-E978 WeakPolarHBondContact CD-OE1 3.48Å; R948-E981 IonicContact CZ-OE1 3.68Å; R948-E981 IonicContact CZ-OE2 3.52Å; R948-E981 IonicContact NH1-OE1 2.75Å; R948-E981 IonicContact NH1-OE2 3.3Å; R948-E981 PolarHBondContact NH1-OE2 3.12Å; R948-E981 IonicContact NH2-OE1 3.72Å; R948-E981 PolarHBondContact NH2-OE1 3.07Å; R948-E981 IonicContact NH2-OE2 2.86Å; R948-E981 PolarHBondContact NH2-OE2 3.35Å; R948-M982 HydrophobicContact CB-CE 3.78Å; R948-M982 HydrophobicContact CG-CE 3.45Å; R948-M982 VanDerWaalsContact CG-CE 3.45Å
949T96.7Very high96.9Very high78 Ų7842.3 Ų42.348%0.47921%0.211SC..Hα-helixtrans-63.8-35.8-178.356.20000113.1S920 T947 S953S920-T949 VanDerWaalsContact CB-OG1 3.25Å; S920-T949 WeakPolarHBondContact CB-OG1 3.28Å; S920-T949 PolarHBondContact OG-OG1 3.17Å; T947-T949 PolarHBondContact O-N 2.97Å; T947-T949 VanDerWaalsContact O-N 3.09Å; T947-T949 PolarHBondContact OG1-OG1 3.38Å; T949-S953 PolarHBondContact O-N 3.18Å; T949-S953 PolarHBondContact O-OG 3.48Å
950G97Very high96.7Very high0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-69.3-43.6175.200000111.4S920 T947 R948 S953 L954S920-G950 PolarHBondContact OG-N 3.28Å; T947-G950 PolarHBondContact O-N 3.39Å; R948-G950 VanDerWaalsContact C-N 3.31Å; R948-G950 PolarHBondContact O-N 2.99Å; G950-S953 WeakPolarHBondContact O-CB 3.42Å; G950-S953 PolarHBondContact O-N 3.35Å; G950-L954 WeakPolarHBondContact O-CG 3.44Å; G950-L954 PolarHBondContact O-N 3.08Å; G950-L954 VanDerWaalsContact O-N 3.13Å
951V97.3Very high96.4Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-64.1-43.1177.2-175.10000111.5I946 T947 R948 S953 L954 T955 L969 L974 M982 L989 F991I946-V951 HydrophobicContact CG2-CG2 3.99Å; T947-V951 PolarHBondContact O-N 3.18Å; R948-V951 PolarHBondContact O-N 2.66Å; V951-S953 PolarHBondContact O-N 3.21Å; V951-L954 WeakPolarHBondContact O-CB 3.24Å; V951-L954 PolarHBondContact O-N 3.45Å; V951-L954 VanDerWaalsContact O-N 3.09Å; V951-T955 WeakPolarHBondContact O-CB 3.3Å; V951-T955 PolarHBondContact O-N 3.44Å; V951-T955 PolarHBondContact O-OG1 3.26Å; V951-L969 HydrophobicContact CG1-CD1 3.88Å; V951-L969 HydrophobicContact CG2-CD1 3.99Å; V951-L969 HydrophobicContact CG2-CD2 4.5Å; V951-L974 HydrophobicContact CG2-CD1 3.94Å; V951-L974 HydrophobicContact CG2-CD2 4.06Å; V951-M982 HydrophobicContact CB-CE 4.31Å; V951-M982 HydrophobicContact CB-SD 3.79Å; V951-M982 HydrophobicContact CG1-CG 4.4Å; V951-M982 HydrophobicContact CG1-SD 3.49Å; V951-M982 WeakPolarHBondContact CG1-SD 3.2Å; V951-M982 HydrophobicContact CG2-SD 4.26Å; V951-L989 HydrophobicContact CG1-CD1 3.69Å; V951-F991 HydrophobicContact CG1-CZ 4.31Å
952E97Very high96Very high91 Ų9152.1 Ų52.143%0.42526%0.26SS..Hα-helixtrans-56.8-38.5175.5-75.4173.4172.500112.1R948 T955 Q956R948-E952 HydrophobicContact CG-CG 4.25Å; R948-E952 WeakPolarHBondContact CG-OE1 3.3Å; R948-E952 IonicContact CZ-OE1 2.71Å; R948-E952 IonicContact NE-OE1 3.56Å; R948-E952 PolarHBondContact NE-OE1 3.19Å; R948-E952 IonicContact NH2-OE1 3.6Å; R948-E952 WeakPolarHBondContact O-CG 3.33Å; R948-E952 PolarHBondContact O-N 3.5Å; E952-T955 PolarHBondContact O-N 2.93Å; E952-Q956 WeakPolarHBondContact O-CB 3.48Å; E952-Q956 PolarHBondContact O-N 3.47Å
953S97.3Very high95.9Very high28 Ų2854.9 Ų54.920%0.19627%0.271CS..Hα-helixtrans-65.1-44.1175.5-56.80000112T949 G950 V951 Q956 A957T949-S953 PolarHBondContact O-N 3.18Å; T949-S953 PolarHBondContact O-OG 3.48Å; G950-S953 WeakPolarHBondContact O-CB 3.42Å; G950-S953 PolarHBondContact O-N 3.35Å; V951-S953 PolarHBondContact O-N 3.21Å; S953-Q956 PolarHBondContact O-N 3.48Å; S953-A957 PolarHBondContact O-N 3.01Å; S953-A957 VanDerWaalsContact O-N 3.12Å
954L97.2Very high95.8Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-62.9-45.2175.5-63.3170.7000111.2A923 I926 I930 L941 G950 V951 Q956 A957 L958 V967 L969A923-L954 HydrophobicContact CB-CD1 4.42Å; I926-L954 HydrophobicContact CG2-CD2 4.33Å; I930-L954 HydrophobicContact CD1-CB 4.46Å; I930-L954 HydrophobicContact CD1-CD2 3.68Å; L941-L954 HydrophobicContact CD1-CD1 3.78Å; L941-L954 HydrophobicContact CD1-CD2 4.49Å; G950-L954 WeakPolarHBondContact O-CG 3.44Å; G950-L954 PolarHBondContact O-N 3.08Å; G950-L954 VanDerWaalsContact O-N 3.13Å; V951-L954 WeakPolarHBondContact O-CB 3.24Å; V951-L954 PolarHBondContact O-N 3.45Å; V951-L954 VanDerWaalsContact O-N 3.09Å; L954-Q956 VanDerWaalsContact C-N 3.32Å; L954-Q956 PolarHBondContact O-N 2.95Å; L954-A957 PolarHBondContact O-N 3.14Å; L954-A957 VanDerWaalsContact O-N 3.16Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 3.47Å; L954-V967 HydrophobicContact CD1-CG1 4.37Å; L954-L969 HydrophobicContact CD1-CD2 4.09Å
955T96.6Very high95.7Very high12 Ų1255 Ų557%0.07427%0.27CS..Hα-helixtrans-58.9-42.3176-59.50000111.7V951 E952 A957 L958 K959 I985 E986V951-T955 WeakPolarHBondContact O-CB 3.3Å; V951-T955 PolarHBondContact O-N 3.44Å; V951-T955 PolarHBondContact O-OG1 3.26Å; E952-T955 PolarHBondContact O-N 2.93Å; T955-A957 VanDerWaalsContact C-N 3.33Å; T955-A957 PolarHBondContact O-N 3.35Å; T955-L958 PolarHBondContact O-N 3.37Å; T955-K959 WeakPolarHBondContact O-CG 3.35Å; T955-K959 PolarHBondContact O-N 3.22Å; T955-K959 VanDerWaalsContact O-N 3.11Å; T955-I985 HydrophobicContact CG2-CG2 3.79Å; T955-E986 HydrophobicContact CG2-CB 4.1Å
956Q95.8Very high95.7Very high127 Ų12752.9 Ų52.959%0.59326%0.256SS*.Hα-helixtrans-64-38.7176.7-172.5178.28.600112.2E952 S953 L954 H960E952-Q956 WeakPolarHBondContact O-CB 3.48Å; E952-Q956 PolarHBondContact O-N 3.47Å; S953-Q956 PolarHBondContact O-N 3.48Å; L954-Q956 VanDerWaalsContact C-N 3.32Å; L954-Q956 PolarHBondContact O-N 2.95Å; Q956-H960 PolarHBondContact O-ND1 2.72Å
957A96Very high95.7Very high6 Ų652.9 Ų52.95%0.0526%0.256CS..Hα-helixtrans-67.2-41.6174.700000111.9S927 I930 K931 S953 L954 T955 K959 H960 N961S927-A957 VanDerWaalsContact O-CB 3.23Å; S927-A957 WeakPolarHBondContact O-CB 3.44Å; I930-A957 HydrophobicContact CB-CB 3.91Å; I930-A957 HydrophobicContact CG2-CB 3.8Å; K931-A957 HydrophobicContact CB-CB 4.3Å; S953-A957 PolarHBondContact O-N 3.01Å; S953-A957 VanDerWaalsContact O-N 3.12Å; L954-A957 PolarHBondContact O-N 3.14Å; L954-A957 VanDerWaalsContact O-N 3.16Å; T955-A957 VanDerWaalsContact C-N 3.33Å; T955-A957 PolarHBondContact O-N 3.35Å; A957-K959 VanDerWaalsContact C-N 3.27Å; A957-K959 PolarHBondContact O-N 3.48Å; A957-H960 PolarHBondContact O-N 3.25Å; A957-N961 PolarHBondContact O-N 2.9Å
958L96.3Very high95.8Very high0 Ų055 Ų550%026%0.258CS..Hα-helixtrans-61.5-30.4177.3-76.2172.6000113.1I930 L954 T955 H960 N961 V964 V967 E986 R988 L989I930-L958 HydrophobicContact CD1-CG 4.47Å; I930-L958 HydrophobicContact CG2-CD2 3.77Å; I930-L958 HydrophobicContact CG2-CG 4.07Å; L954-L958 WeakPolarHBondContact O-CG 3.49Å; L954-L958 PolarHBondContact O-N 3.47Å; T955-L958 PolarHBondContact O-N 3.37Å; L958-H960 PolarHBondContact O-N 2.84Å; L958-N961 PolarHBondContact O-N 3.42Å; L958-V964 HydrophobicContact CD2-CB 3.88Å; L958-V964 HydrophobicContact CD2-CG1 3.78Å; L958-V967 HydrophobicContact CD1-CG2 4.01Å; L958-V967 HydrophobicContact CD2-CG2 4.2Å; L958-E986 HydrophobicContact CB-CG 4.36Å; L958-E986 HydrophobicContact CD1-CG 3.7Å; L958-R988 PolarHBondContact O-NH2 3.39Å; L958-L989 HydrophobicContact CD1-CD2 3.65Å
959K94Very high95.8Very high135 Ų13551.9 Ų51.959%0.58725%0.246SC*.THydrogen-bonded Turntrans-59.5-26.5171.9-72175.4-178.1177.60113.5T955 A957T955-K959 WeakPolarHBondContact O-CG 3.35Å; T955-K959 PolarHBondContact O-N 3.22Å; T955-K959 VanDerWaalsContact O-N 3.11Å; A957-K959 VanDerWaalsContact C-N 3.27Å; A957-K959 PolarHBondContact O-N 3.48Å
960H91.6Very high95.7Very high124 Ų12453.2 Ų53.257%0.57425%0.245SC*.THydrogen-bonded Turntrans-102.8-6.5-178.7-59.284.8000113Q956 A957 L958Q956-H960 PolarHBondContact O-ND1 2.72Å; A957-H960 PolarHBondContact O-N 3.25Å; L958-H960 PolarHBondContact O-N 2.84Å
961N92.8Very high95.6Very high11 Ų1157.9 Ų57.96%0.05927%0.271CS..  trans-120.9125.6-179.9-172.2-70.7000110.9I930 S933 A957 L958 H963 V964 R988I930-N961 HydrophobicContact CG2-CB 3.91Å; I930-N961 VanDerWaalsContact O-CB 3.28Å; I930-N961 WeakPolarHBondContact O-CB 3.41Å; I930-N961 PolarHBondContact O-ND2 3.1Å; S933-N961 PolarHBondContact O-ND2 2.97Å; A957-N961 PolarHBondContact O-N 2.9Å; L958-N961 PolarHBondContact O-N 3.42Å; N961-H963 PolarHBondContact OD1-N 3.03Å; N961-V964 PolarHBondContact OD1-N 3.25Å; N961-R988 PolarHBondContact O-NH1 3.39Å
962H90.6Very high95.6Very high165 Ų16558.7 Ų58.776%0.76428%0.275SS*.SBendtrans-109.53.3179-55.6-58.6000113.7
963H93.9Very high95.6Very high76 Ų7658.9 Ų58.935%0.35228%0.279SS..SBendtrans-91.3-39.4-178.6-163.475.8000112.2T934 S935 L936 N961 K965T934-H963 PolarHBondContact O-CD2 2.95Å; T934-H963 PolarHBondContact O-NE2 2.81Å; S935-H963 WeakPolarHBondContact CA-NE2 3.32Å; S935-H963 PolarHBondContact O-NE2 3.48Å; L936-H963 PolarHBondContact O-CD2 3.32Å; N961-H963 PolarHBondContact OD1-N 3.03Å; H963-K965 PolarHBondContact O-N 3.28Å
964V96.1Very high95.4Very high2 Ų258.8 Ų58.81%0.01228%0.276CS..  trans-60.2123.1175176.80000109I930 L936 L958 N961 V967 R988I930-V964 HydrophobicContact CG2-CG2 4.18Å; L936-V964 HydrophobicContact CB-CG2 4.28Å; L936-V964 HydrophobicContact CD2-CG2 4.11Å; L936-V964 HydrophobicContact CG-CG2 4.18Å; L936-V964 VanDerWaalsContact O-CA 3.29Å; L936-V964 WeakPolarHBondContact O-CA 3.43Å; L936-V964 VanDerWaalsContact O-CG2 3.27Å; L936-V964 WeakPolarHBondContact O-CG2 3.35Å; L936-V964 PolarHBondContact O-N 3.08Å; L958-V964 HydrophobicContact CD2-CB 3.88Å; L958-V964 HydrophobicContact CD2-CG1 3.78Å; N961-V964 PolarHBondContact OD1-N 3.25Å; V964-V967 HydrophobicContact CG1-CG2 3.84Å; V964-R988 WeakPolarHBondContact O-CD 3.45Å; V964-R988 PolarHBondContact O-NH1 3.02Å; V964-R988 VanDerWaalsContact O-NH1 3.12Å
965K96.1Very high95.3Very high118 Ų11862.5 Ų62.551%0.51330%0.299SS..  trans-92-40.8-178-61.4-179.9-172.9161.50111.3E937 H963 R988E937-K965 HydrophobicContact CB-CD 4.19Å; E937-K965 HydrophobicContact CB-CG 4.35Å; E937-K965 HydrophobicContact CG-CD 4.39Å; E937-K965 WeakPolarHBondContact O-CA 3.34Å; E937-K965 PolarHBondContact O-N 3.31Å; E937-K965 WeakPolarHBondContact OE1-CE 3.47Å; E937-K965 IonicContact OE1-NZ 2.71Å; E937-K965 PolarHBondContact OE1-NZ 2.99Å; E937-K965 IonicContact OE2-NZ 2.83Å; E937-K965 PolarHBondContact OE2-NZ 3.41Å; H963-K965 PolarHBondContact O-N 3.28Å; K965-R988 WeakPolarHBondContact O-CG 3.16Å
966S96.9Very high95.2Very high16 Ų1666.4 Ų66.411%0.11233%0.327CS..EExtended strand (participates in β ladder)trans-147.5142-178.278.40000114E937 D938 L939 W968 R988E937-S966 PolarHBondContact O-N 3.36Å; E937-S966 VanDerWaalsContact O-N 3.15Å; D938-S966 PolarHBondContact OD1-OG 2.91Å; L939-S966 PolarHBondContact N-O 2.92Å; S966-W968 PolarHBondContact OG-NE1 3.09Å; S966-R988 WeakPolarHBondContact CA-O 3.37Å
967V97.7Very high95.1Very high0 Ų063.6 Ų63.60%033%0.325CS..EExtended strand (participates in β ladder)trans-125.7113.6171-176.20000108.8I930 L939 L941 L954 L958 V964 L969 R988 L989 V990I930-V967 HydrophobicContact CD1-CG2 4.3Å; L939-V967 HydrophobicContact CB-CG1 4.49Å; L939-V967 HydrophobicContact CB-CG2 4.34Å; L939-V967 HydrophobicContact CD2-CG1 4.14Å; L939-V967 HydrophobicContact CG-CG1 4.39Å; L939-V967 CarbonylContact O-C 3.58Å; L939-V967 VanDerWaalsContact O-CA 3.31Å; L939-V967 WeakPolarHBondContact O-CA 3.38Å; L941-V967 HydrophobicContact CD1-CG1 4.34Å; L954-V967 HydrophobicContact CD1-CG1 4.37Å; L958-V967 HydrophobicContact CD1-CG2 4.01Å; L958-V967 HydrophobicContact CD2-CG2 4.2Å; V964-V967 HydrophobicContact CG1-CG2 3.84Å; V967-L969 HydrophobicContact CG1-CD1 4.46Å; V967-L969 HydrophobicContact CG1-CG 4.27Å; V967-R988 PolarHBondContact N-O 3.22Å; V967-L989 HydrophobicContact CB-CD2 3.93Å; V967-L989 HydrophobicContact CG1-CD2 4.33Å; V967-L989 CarbonylContact O-C 3.58Å; V967-L989 WeakPolarHBondContact O-CA 3.5Å; V967-V990 PolarHBondContact O-N 3.36Å
968W97.9Very high95Very high99 Ų9965.3 Ų65.338%0.37533%0.332SS..EExtended strand (participates in β ladder)trans-93.6122.7-174-63.560.6000110.7L939 W940 L941 T942 S966 V990L939-W968 PolarHBondContact O-N 3.46Å; W940-W968 AromaticContact CD1-CD1 3.3Å; W940-W968 AromaticContact CD1-CG 3.75Å; W940-W968 AromaticContact CD1-NE1 3.82Å; W940-W968 HydrophobicContact CG-CB 4.44Å; W940-W968 HydrophobicContact CG-CG 4.3Å; W940-W968 AromaticContact NE1-CD1 3.44Å; W940-W968 AromaticContact NE1-CE2 4Å; W940-W968 AromaticContact NE1-CG 4Å; W940-W968 AromaticContact NE1-NE1 3.44Å; L941-W968 CarbonylContact C-O 3.53Å; L941-W968 VanDerWaalsContact CA-O 3.23Å; L941-W968 WeakPolarHBondContact CA-O 3.39Å; L941-W968 WeakPolarHBondContact CB-O 3.36Å; L941-W968 PolarHBondContact N-O 3.03Å; T942-W968 PolarHBondContact N-O 3.21Å; T942-W968 VanDerWaalsContact N-O 3.11Å; S966-W968 PolarHBondContact OG-NE1 3.09Å; W968-V990 CarbonylContact C-O 3.55Å; W968-V990 WeakPolarHBondContact CA-O 3.26Å; W968-V990 HydrophobicContact CD2-CB 4.13Å; W968-V990 HydrophobicContact CD2-CG1 4.04Å; W968-V990 HydrophobicContact CE3-CB 4.38Å; W968-V990 HydrophobicContact CE3-CG1 3.83Å; W968-V990 HydrophobicContact CG-CB 4.27Å; W968-V990 HydrophobicContact CH2-CG1 4.34Å; W968-V990 HydrophobicContact CZ3-CG1 3.99Å
969L96.9Very high94.9Very high1 Ų167.5 Ų67.51%0.00534%0.343CS..  trans-128.711.1-171.6-71.6167.6000113.3L941 I946 V951 L954 V967 N972 L989 V990 F991L941-L969 HydrophobicContact CB-CD2 4Å; L941-L969 HydrophobicContact CD1-CD2 4.24Å; I946-L969 HydrophobicContact CD1-CD2 3.96Å; V951-L969 HydrophobicContact CG1-CD1 3.88Å; V951-L969 HydrophobicContact CG2-CD1 3.99Å; V951-L969 HydrophobicContact CG2-CD2 4.5Å; L954-L969 HydrophobicContact CD1-CD2 4.09Å; V967-L969 HydrophobicContact CG1-CD1 4.46Å; V967-L969 HydrophobicContact CG1-CG 4.27Å; L969-N972 VanDerWaalsContact C-ND2 3.32Å; L969-N972 WeakPolarHBondContact O-CB 3.4Å; L969-N972 PolarHBondContact O-N 2.55Å; L969-N972 PolarHBondContact O-ND2 3.27Å; L969-L989 HydrophobicContact CD1-CB 4.43Å; L969-L989 HydrophobicContact CD1-CD1 4.41Å; L969-L989 HydrophobicContact CD1-CD2 3.92Å; L969-L989 HydrophobicContact CD1-CG 4.47Å; L969-V990 PolarHBondContact N-O 3.1Å; L969-F991 HydrophobicContact CB-CD1 3.73Å; L969-F991 HydrophobicContact CB-CE1 3.56Å; L969-F991 HydrophobicContact CB-CZ 4.44Å; L969-F991 HydrophobicContact CD1-CE1 3.79Å; L969-F991 HydrophobicContact CD1-CZ 3.96Å; L969-F991 HydrophobicContact CG-CE1 4.34Å
970K95.4Very high94.8Very high106 Ų10667.1 Ų67.146%0.46134%0.343SS..THydrogen-bonded Turntrans-50.9144177-178.2163.3-175175.20112.8T942 E943 N972 F991T942-K970 CarbonylContact C-O 3.37Å; T942-K970 WeakPolarHBondContact CA-O 3.32Å; T942-K970 HydrophobicContact CG2-CB 3.89Å; T942-K970 HydrophobicContact CG2-CG 4.41Å; T942-K970 WeakPolarHBondContact CG2-O 3.4Å; E943-K970 PolarHBondContact N-O 3.31Å; K970-N972 VanDerWaalsContact C-N 3.33Å; K970-N972 PolarHBondContact O-N 2.93Å; K970-N972 PolarHBondContact O-ND2 3.45Å; K970-F991 WeakPolarHBondContact CA-OXT 3.45Å; K970-F991 WeakPolarHBondContact CB-OXT 3.38Å; K970-F991 WeakPolarHBondContact CG-OXT 3.49Å
971N94.9Very high94.9Very high99 Ų9965 Ų6553%0.52933%0.333SS..THydrogen-bonded Turntrans55.342.6178.1-58.1-20.5000113.5E943E943-N971 VanDerWaalsContact CA-O 3.32Å; E943-N971 WeakPolarHBondContact CA-O 3.34Å; E943-N971 HydrophobicContact CG-CB 3.69Å; E943-N971 PolarHBondContact OE1-ND2 3.36Å
972N97Very high94.9Very high17 Ų1764.6 Ų64.69%0.09133%0.332CS..SBendtrans-102.7174.3167.9-83.8-87.4000110.9L941 N944 I946 L969 K970 L974L941-N972 PolarHBondContact O-ND2 2.57Å; N944-N972 WeakPolarHBondContact CA-OD1 3.3Å; N944-N972 WeakPolarHBondContact CB-OD1 3.49Å; N944-N972 PolarHBondContact N-OD1 2.89Å; N944-N972 WeakPolarHBondContact O-CA 3.33Å; N944-N972 PolarHBondContact O-OD1 2.94Å; N944-N972 VanDerWaalsContact O-OD1 3.08Å; I946-N972 HydrophobicContact CB-CB 4.3Å; I946-N972 WeakPolarHBondContact CB-OD1 3.25Å; I946-N972 VanDerWaalsContact CG1-OD1 3.29Å; I946-N972 WeakPolarHBondContact CG1-OD1 3.35Å; I946-N972 PolarHBondContact N-OD1 3.49Å; I946-N972 VanDerWaalsContact N-OD1 3.08Å; L969-N972 VanDerWaalsContact C-ND2 3.32Å; L969-N972 WeakPolarHBondContact O-CB 3.4Å; L969-N972 PolarHBondContact O-N 2.55Å; L969-N972 PolarHBondContact O-ND2 3.27Å; K970-N972 VanDerWaalsContact C-N 3.33Å; K970-N972 PolarHBondContact O-N 2.93Å; K970-N972 PolarHBondContact O-ND2 3.45Å; N972-L974 HydrophobicContact CB-CD1 4.4Å; N972-L974 PolarHBondContact O-N 2.91Å
973D95.9Very high94.9Very high95 Ų9562.1 Ų62.151%0.50832%0.32SS..SBendtrans-77.264.9-176.5-67.1-27.6000112.1C945 I946 T947C945-D973 VanDerWaalsContact CA-OD2 3.23Å; C945-D973 WeakPolarHBondContact CA-OD2 3.33Å; C945-D973 WeakPolarHBondContact CB-OD2 3.32Å; I946-D973 PolarHBondContact O-N 3.26Å; T947-D973 HydrophobicContact CG2-CB 3.98Å
974L94.8Very high94.8Very high26 Ų2666.7 Ų66.714%0.13634%0.342CS..  trans-127.7142.4-178.5-60.8167.5000110.7R948 V951 N972 I979 M982 F991R948-L974 HydrophobicContact CB-CD2 4.38Å; V951-L974 HydrophobicContact CG2-CD1 3.94Å; V951-L974 HydrophobicContact CG2-CD2 4.06Å; N972-L974 HydrophobicContact CB-CD1 4.4Å; N972-L974 PolarHBondContact O-N 2.91Å; L974-I979 HydrophobicContact CB-CD1 4.28Å; L974-I979 HydrophobicContact CB-CG1 3.95Å; L974-I979 HydrophobicContact CD1-CG1 4.36Å; L974-M982 HydrophobicContact CD2-CE 4.44Å; L974-M982 HydrophobicContact CD2-SD 4.34Å; L974-F991 HydrophobicContact CD1-CD1 3.99Å; L974-F991 HydrophobicContact CD1-CE1 3.41Å; L974-F991 VanDerWaalsContact CD1-CE1 3.41Å; L974-F991 HydrophobicContact CD1-CZ 4.36Å
975T94.8Very high94.6Very high78 Ų7871 Ų7148%0.47936%0.363SS..  trans-78.9155.917163.90000111.3A977 E978 I979T975-A977 PolarHBondContact O-N 3.06Å; T975-E978 WeakPolarHBondContact CB-OE2 3.41Å; T975-E978 PolarHBondContact N-OE2 2.93Å; T975-E978 PolarHBondContact O-N 3.5Å; T975-E978 VanDerWaalsContact OG1-CD 3.26Å; T975-E978 WeakPolarHBondContact OG1-CG 3.27Å; T975-E978 PolarHBondContact OG1-N 2.88Å; T975-E978 PolarHBondContact OG1-OE2 3.44Å; T975-I979 WeakPolarHBondContact O-CG1 3.45Å; T975-I979 PolarHBondContact O-N 3.08Å
976S93Very high94.5Very high94 Ų9466.3 Ų66.366%0.65734%0.344SS*.Hα-helixtrans-56.8-35.9176.9-54.20000112.9I979 E980S976-I979 PolarHBondContact O-N 2.94Å; S976-E980 WeakPolarHBondContact O-CG 3.37Å; S976-E980 PolarHBondContact O-N 3.47Å; S976-E980 VanDerWaalsContact O-N 3.07Å
977A93.9Very high94.4Very high67 Ų6770.6 Ų70.655%0.55437%0.373SS*.Hα-helixtrans-66.5-40.1176.300000112.4T975 E981T975-A977 PolarHBondContact O-N 3.06Å; A977-E981 WeakPolarHBondContact O-CB 3.42Å; A977-E981 PolarHBondContact O-N 3.26Å; A977-E981 VanDerWaalsContact O-N 3.11Å
978E94.5Very high94.3Very high42 Ų4272.7 Ų72.720%0.19638%0.381CS..Hα-helixtrans-66.6-38175.6-71.6166.1137.700111.7R948 T975 E981 M982R948-E978 WeakPolarHBondContact CB-OE1 3.49Å; R948-E978 WeakPolarHBondContact CD-OE1 3.48Å; T975-E978 WeakPolarHBondContact CB-OE2 3.41Å; T975-E978 PolarHBondContact N-OE2 2.93Å; T975-E978 PolarHBondContact O-N 3.5Å; T975-E978 VanDerWaalsContact OG1-CD 3.26Å; T975-E978 WeakPolarHBondContact OG1-CG 3.27Å; T975-E978 PolarHBondContact OG1-N 2.88Å; T975-E978 PolarHBondContact OG1-OE2 3.44Å; E978-E981 PolarHBondContact O-N 3.44Å; E978-M982 HydrophobicContact CB-CE 4.26Å; E978-M982 VanDerWaalsContact O-CB 3.31Å; E978-M982 WeakPolarHBondContact O-CB 3.47Å; E978-M982 WeakPolarHBondContact O-CG 3.29Å; E978-M982 PolarHBondContact O-N 3.33Å
979I93.4Very high94.3Very high46 Ų4668.1 Ų68.124%0.23637%0.365CS..Hα-helixtrans-61.7-51.9176.3-68.6169.1000110.5L974 T975 S976 E981 M982 E983 F991L974-I979 HydrophobicContact CB-CD1 4.28Å; L974-I979 HydrophobicContact CB-CG1 3.95Å; L974-I979 HydrophobicContact CD1-CG1 4.36Å; T975-I979 WeakPolarHBondContact O-CG1 3.45Å; T975-I979 PolarHBondContact O-N 3.08Å; S976-I979 PolarHBondContact O-N 2.94Å; I979-E981 VanDerWaalsContact C-N 3.29Å; I979-E981 PolarHBondContact O-N 3.03Å; I979-M982 PolarHBondContact O-N 3.3Å; I979-E983 WeakPolarHBondContact O-CB 3.34Å; I979-E983 PolarHBondContact O-N 3.01Å; I979-F991 HydrophobicContact CB-CG 4.48Å; I979-F991 HydrophobicContact CG1-CD1 4.08Å; I979-F991 HydrophobicContact CG1-CG 4.31Å; I979-F991 HydrophobicContact CG2-CB 3.62Å; I979-F991 HydrophobicContact CG2-CD1 4.32Å; I979-F991 HydrophobicContact CG2-CD2 3.87Å; I979-F991 HydrophobicContact CG2-CG 3.69Å
980E92.6Very high94.2Very high127 Ų12770.4 Ų70.459%0.59338%0.378SS*.Hα-helixtrans-58.5-40.8178.9-73.9177.8-167.600112.2S976 Q984S976-E980 WeakPolarHBondContact O-CG 3.37Å; S976-E980 PolarHBondContact O-N 3.47Å; S976-E980 VanDerWaalsContact O-N 3.07Å; E980-Q984 WeakPolarHBondContact O-CG 3.34Å
981E94.1Very high94.1Very high79 Ų7968 Ų6837%0.36937%0.368SS..Hα-helixtrans-65-47.9176.3-173.1-167.5155.700111.5R948 A977 E978 I979 Q984 I985R948-E981 IonicContact CZ-OE1 3.68Å; R948-E981 IonicContact CZ-OE2 3.52Å; R948-E981 IonicContact NH1-OE1 2.75Å; R948-E981 IonicContact NH1-OE2 3.3Å; R948-E981 PolarHBondContact NH1-OE2 3.12Å; R948-E981 IonicContact NH2-OE1 3.72Å; R948-E981 PolarHBondContact NH2-OE1 3.07Å; R948-E981 IonicContact NH2-OE2 2.86Å; R948-E981 PolarHBondContact NH2-OE2 3.35Å; A977-E981 WeakPolarHBondContact O-CB 3.42Å; A977-E981 PolarHBondContact O-N 3.26Å; A977-E981 VanDerWaalsContact O-N 3.11Å; E978-E981 PolarHBondContact O-N 3.44Å; I979-E981 VanDerWaalsContact C-N 3.29Å; I979-E981 PolarHBondContact O-N 3.03Å; E981-Q984 PolarHBondContact O-N 3.25Å; E981-I985 HydrophobicContact CG-CD1 4.09Å; E981-I985 WeakPolarHBondContact O-CG1 3.36Å; E981-I985 PolarHBondContact O-N 3.32Å
982M92.6Very high94Very high4 Ų466.4 Ų66.42%0.0236%0.36CS..Hα-helixtrans-71.4-35.4-174.8-71.6172.6-17400113.1R948 V951 L974 E978 I979 Q984 I985 E986 L989 F991R948-M982 HydrophobicContact CB-CE 3.78Å; R948-M982 HydrophobicContact CG-CE 3.45Å; R948-M982 VanDerWaalsContact CG-CE 3.45Å; V951-M982 HydrophobicContact CB-CE 4.31Å; V951-M982 HydrophobicContact CB-SD 3.79Å; V951-M982 HydrophobicContact CG1-CG 4.4Å; V951-M982 HydrophobicContact CG1-SD 3.49Å; V951-M982 WeakPolarHBondContact CG1-SD 3.2Å; V951-M982 HydrophobicContact CG2-SD 4.26Å; L974-M982 HydrophobicContact CD2-CE 4.44Å; L974-M982 HydrophobicContact CD2-SD 4.34Å; E978-M982 HydrophobicContact CB-CE 4.26Å; E978-M982 VanDerWaalsContact O-CB 3.31Å; E978-M982 WeakPolarHBondContact O-CB 3.47Å; E978-M982 WeakPolarHBondContact O-CG 3.29Å; E978-M982 PolarHBondContact O-N 3.33Å; I979-M982 PolarHBondContact O-N 3.3Å; M982-Q984 PolarHBondContact O-N 3.01Å; M982-I985 PolarHBondContact O-N 2.85Å; M982-I985 VanDerWaalsContact O-N 3.08Å; M982-E986 PolarHBondContact O-N 3.38Å; M982-L989 HydrophobicContact CB-CD1 4.42Å; M982-F991 HydrophobicContact CB-CE2 4Å; M982-F991 HydrophobicContact CB-CZ 3.92Å; M982-F991 HydrophobicContact SD-CZ 4.36Å
983E90.4Very high93.9Very high112 Ų11269 Ų6952%0.52337%0.374SS..Hα-helixtrans-61.7-34.7175.4-169.9175.5-166.500111.4I979 F991I979-E983 WeakPolarHBondContact O-CB 3.34Å; I979-E983 PolarHBondContact O-N 3.01Å; E983-F991 HydrophobicContact CB-CD2 4.38Å; E983-F991 HydrophobicContact CB-CE2 4.5Å
984Q90.9Very high93.8Very high172 Ų17267.6 Ų67.680%0.80437%0.366SS*.Hα-helixtrans-72-30.8173.5-67.3176.719.800113.1E980 E981 M982E980-Q984 WeakPolarHBondContact O-CG 3.34Å; E981-Q984 PolarHBondContact O-N 3.25Å; M982-Q984 PolarHBondContact O-N 3.01Å
985I92.6Very high93.7Very high92 Ų9270 Ų7047%0.47238%0.38SS..Hα-helixtrans-75.9-40.3-178.2-68.1166.7000111.6T955 E981 M982T955-I985 HydrophobicContact CG2-CG2 3.79Å; E981-I985 HydrophobicContact CG-CD1 4.09Å; E981-I985 WeakPolarHBondContact O-CG1 3.36Å; E981-I985 PolarHBondContact O-N 3.32Å; M982-I985 PolarHBondContact O-N 2.85Å; M982-I985 VanDerWaalsContact O-N 3.08Å
986E94.8Very high93.6Very high20 Ų2069.5 Ų69.59%0.09337%0.374CS..  trans-144.6100.9-176.117755.4-98.400111.2T955 L958 M982 R988 L989T955-E986 HydrophobicContact CG2-CB 4.1Å; L958-E986 HydrophobicContact CB-CG 4.36Å; L958-E986 HydrophobicContact CD1-CG 3.7Å; M982-E986 PolarHBondContact O-N 3.38Å; E986-R988 HydrophobicContact CG-CB 4.43Å; E986-R988 PolarHBondContact O-N 3.14Å; E986-R988 WeakPolarHBondContact OE1-CB 3.46Å; E986-R988 WeakPolarHBondContact OE1-CG 3.44Å; E986-R988 IonicContact OE1-CZ 3.6Å; E986-R988 PolarHBondContact OE1-N 2.74Å; E986-R988 IonicContact OE1-NE 3Å; E986-R988 PolarHBondContact OE1-NE 3.48Å; E986-R988 IonicContact OE1-NH2 2.72Å; E986-R988 IonicContact OE2-CZ 2.76Å; E986-R988 IonicContact OE2-NE 3.49Å; E986-R988 IonicContact OE2-NH2 3.55Å; E986-R988 PolarHBondContact OE2-NH2 3Å; E986-L989 HydrophobicContact CB-CD1 4.14Å; E986-L989 HydrophobicContact CB-CG 4.02Å; E986-L989 HydrophobicContact CG-CD1 4.44Å; E986-L989 HydrophobicContact CG-CD2 4.36Å; E986-L989 HydrophobicContact CG-CG 3.87Å; E986-L989 WeakPolarHBondContact O-CB 3.47Å; E986-L989 PolarHBondContact O-N 3.17Å
987S93.9Very high93.7Very high106 Ų10667.9 Ų67.974%0.74136%0.355SS*.THydrogen-bonded Turntrans-60.9-14.3-176.560.70000115.6
988R96.4Very high93.7Very high44 Ų4467.9 Ų67.917%0.16634%0.341CS..THydrogen-bonded Turntrans-84.5-10.7178-64.4175.7-73.9174.3-4.3113.2L958 N961 V964 K965 S966 V967 E986L958-R988 PolarHBondContact O-NH2 3.39Å; N961-R988 PolarHBondContact O-NH1 3.39Å; V964-R988 WeakPolarHBondContact O-CD 3.45Å; V964-R988 PolarHBondContact O-NH1 3.02Å; V964-R988 VanDerWaalsContact O-NH1 3.12Å; K965-R988 WeakPolarHBondContact O-CG 3.16Å; S966-R988 WeakPolarHBondContact CA-O 3.37Å; V967-R988 PolarHBondContact N-O 3.22Å; E986-R988 HydrophobicContact CG-CB 4.43Å; E986-R988 PolarHBondContact O-N 3.14Å; E986-R988 WeakPolarHBondContact OE1-CB 3.46Å; E986-R988 WeakPolarHBondContact OE1-CG 3.44Å; E986-R988 IonicContact OE1-CZ 3.6Å; E986-R988 PolarHBondContact OE1-N 2.74Å; E986-R988 IonicContact OE1-NE 3Å; E986-R988 PolarHBondContact OE1-NE 3.48Å; E986-R988 IonicContact OE1-NH2 2.72Å; E986-R988 IonicContact OE2-CZ 2.76Å; E986-R988 IonicContact OE2-NE 3.49Å; E986-R988 IonicContact OE2-NH2 3.55Å; E986-R988 PolarHBondContact OE2-NH2 3Å
989L96.4Very high93.6Very high4 Ų469.9 Ų69.92%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-77127.1171.1-56.6-176.3000109.1V951 L958 V967 L969 M982 E986 F991V951-L989 HydrophobicContact CG1-CD1 3.69Å; L958-L989 HydrophobicContact CD1-CD2 3.65Å; V967-L989 HydrophobicContact CB-CD2 3.93Å; V967-L989 HydrophobicContact CG1-CD2 4.33Å; V967-L989 CarbonylContact O-C 3.58Å; V967-L989 WeakPolarHBondContact O-CA 3.5Å; L969-L989 HydrophobicContact CD1-CB 4.43Å; L969-L989 HydrophobicContact CD1-CD1 4.41Å; L969-L989 HydrophobicContact CD1-CD2 3.92Å; L969-L989 HydrophobicContact CD1-CG 4.47Å; M982-L989 HydrophobicContact CB-CD1 4.42Å; E986-L989 HydrophobicContact CB-CD1 4.14Å; E986-L989 HydrophobicContact CB-CG 4.02Å; E986-L989 HydrophobicContact CG-CD1 4.44Å; E986-L989 HydrophobicContact CG-CD2 4.36Å; E986-L989 HydrophobicContact CG-CG 3.87Å; E986-L989 WeakPolarHBondContact O-CB 3.47Å; E986-L989 PolarHBondContact O-N 3.17Å; L989-F991 HydrophobicContact CB-CD2 4.4Å; L989-F991 HydrophobicContact CB-CE2 3.66Å; L989-F991 HydrophobicContact CB-CZ 4.03Å; L989-F991 HydrophobicContact CD1-CE2 4.22Å; L989-F991 HydrophobicContact CD1-CZ 4.05Å
990V96.2Very high93.6Very high49 Ų4971.9 Ų71.930%0.29736%0.361SS..EExtended strand (participates in β ladder)trans-115113.8-178.4-176.10000108.9V967 W968 L969V967-V990 PolarHBondContact O-N 3.36Å; W968-V990 CarbonylContact C-O 3.55Å; W968-V990 WeakPolarHBondContact CA-O 3.26Å; W968-V990 HydrophobicContact CD2-CB 4.13Å; W968-V990 HydrophobicContact CD2-CG1 4.04Å; W968-V990 HydrophobicContact CE3-CB 4.38Å; W968-V990 HydrophobicContact CE3-CG1 3.83Å; W968-V990 HydrophobicContact CG-CB 4.27Å; W968-V990 HydrophobicContact CH2-CG1 4.34Å; W968-V990 HydrophobicContact CZ3-CG1 3.99Å; L969-V990 PolarHBondContact N-O 3.1Å
991F92.6Very high93.7Very high54 Ų5466.9 Ų66.924%0.23734%0.34CS..  trans-103.20-177.2-65-76.5000114V951 L969 K970 L974 I979 M982 E983 L989V951-F991 HydrophobicContact CG1-CZ 4.31Å; L969-F991 HydrophobicContact CB-CD1 3.73Å; L969-F991 HydrophobicContact CB-CE1 3.56Å; L969-F991 HydrophobicContact CB-CZ 4.44Å; L969-F991 HydrophobicContact CD1-CE1 3.79Å; L969-F991 HydrophobicContact CD1-CZ 3.96Å; L969-F991 HydrophobicContact CG-CE1 4.34Å; K970-F991 WeakPolarHBondContact CA-OXT 3.45Å; K970-F991 WeakPolarHBondContact CB-OXT 3.38Å; K970-F991 WeakPolarHBondContact CG-OXT 3.49Å; L974-F991 HydrophobicContact CD1-CD1 3.99Å; L974-F991 HydrophobicContact CD1-CE1 3.41Å; L974-F991 VanDerWaalsContact CD1-CE1 3.41Å; L974-F991 HydrophobicContact CD1-CZ 4.36Å; I979-F991 HydrophobicContact CB-CG 4.48Å; I979-F991 HydrophobicContact CG1-CD1 4.08Å; I979-F991 HydrophobicContact CG1-CG 4.31Å; I979-F991 HydrophobicContact CG2-CB 3.62Å; I979-F991 HydrophobicContact CG2-CD1 4.32Å; I979-F991 HydrophobicContact CG2-CD2 3.87Å; I979-F991 HydrophobicContact CG2-CG 3.69Å; M982-F991 HydrophobicContact CB-CE2 4Å; M982-F991 HydrophobicContact CB-CZ 3.92Å; M982-F991 HydrophobicContact SD-CZ 4.36Å; E983-F991 HydrophobicContact CB-CD2 4.38Å; E983-F991 HydrophobicContact CB-CE2 4.5Å; L989-F991 HydrophobicContact CB-CD2 4.4Å; L989-F991 HydrophobicContact CB-CE2 3.66Å; L989-F991 HydrophobicContact CB-CZ 4.03Å; L989-F991 HydrophobicContact CD1-CE2 4.22Å; L989-F991 HydrophobicContact CD1-CZ 4.05Å

Retrieved 991 of 991 residues in 426.2 ms (Link to these results)

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