A0A3Q0KMT9_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMT9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 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
1M23.1Very low36.8Very low202 Ų20279.2 Ų79.2100%0.99542%0.417SS*.  0-48.80-123.9173.5178.600112.7C3 N4 S5M1-C3 PolarHBondContact O-N 2.74Å; M1-N4 WeakPolarHBondContact O-CB 3.34Å; M1-N4 PolarHBondContact O-N 3.43Å; M1-S5 PolarHBondContact O-N 3.47Å
2W25.5Very low37.9Very low163 Ų16374.3 Ų74.362%0.61739%0.39SS*.Hα-helixtrans-64.1-35.3-179-71.661.5000114.9N4 S5W2-N4 VanDerWaalsContact C-N 3.27Å; W2-N4 PolarHBondContact O-N 3.43Å; W2-S5 PolarHBondContact O-OG 3.2Å
3C26.9Very low39Very low91 Ų9168.6 Ų68.662%0.61536%0.36SS*.Hα-helixtrans-62.6-34.3170.2-75.70000112M1 I7M1-C3 PolarHBondContact O-N 2.74Å; C3-I7 HydrophobicContact CB-CD1 4.05Å; C3-I7 WeakPolarHBondContact O-CB 3.21Å; C3-I7 VanDerWaalsContact O-CD1 3.22Å; C3-I7 WeakPolarHBondContact O-CD1 3.2Å; C3-I7 WeakPolarHBondContact O-CG1 3.33Å; C3-I7 PolarHBondContact O-N 3.15Å
4N28.2Very low39.8Very low101 Ų10172.3 Ų72.354%0.5438%0.375SS..Hα-helixtrans-72-38.1-175-70.33000112.5M1 W2 N8M1-N4 WeakPolarHBondContact O-CB 3.34Å; M1-N4 PolarHBondContact O-N 3.43Å; W2-N4 VanDerWaalsContact C-N 3.27Å; W2-N4 PolarHBondContact O-N 3.43Å; N4-N8 WeakPolarHBondContact O-CB 3.47Å; N4-N8 PolarHBondContact O-N 3.09Å; N4-N8 PolarHBondContact O-ND2 2.91Å; N4-N8 PolarHBondContact O-OD1 3.14Å
5S36.7Very low40.6Very low32 Ų3273.4 Ų73.422%0.22439%0.391CS..Hα-helixtrans-67.5-41177.356.30000112M1 W2 N8 A9 K119M1-S5 PolarHBondContact O-N 3.47Å; W2-S5 PolarHBondContact O-OG 3.2Å; S5-N8 WeakPolarHBondContact O-CB 3.14Å; S5-N8 PolarHBondContact O-N 3.07Å; S5-A9 PolarHBondContact O-N 3.39Å; S5-A9 VanDerWaalsContact O-N 3.17Å; S5-K119 WeakPolarHBondContact CB-O 3Å; S5-K119 PolarHBondContact OG-O 3.28Å
6Y33.2Very low41.7Very low58 Ų5871.4 Ų71.423%0.22738%0.379CS..Hα-helixtrans-71-38.6177.8-162.5-115.8000112.7N8 A9 L10 L35Y6-N8 VanDerWaalsContact C-N 3.27Å; Y6-N8 PolarHBondContact O-N 3.35Å; Y6-A9 PolarHBondContact O-N 3.49Å; Y6-L10 HydrophobicContact CD1-CD1 4.02Å; Y6-L10 HydrophobicContact CE1-CD1 4.19Å; Y6-L10 WeakPolarHBondContact O-CG 3.25Å; Y6-L10 PolarHBondContact O-N 3.3Å; Y6-L10 VanDerWaalsContact O-N 3.1Å; Y6-L35 HydrophobicContact CD1-CD1 4.13Å; Y6-L35 HydrophobicContact CE1-CD1 3.09Å; Y6-L35 VanDerWaalsContact OH-CD1 3.29Å; Y6-L35 WeakPolarHBondContact OH-CD1 3.18Å
7I37.5Very low43.3Very low95 Ų9576 Ų7649%0.48740%0.403SS..Hα-helixtrans-61.8-35.6169.7-72164.4000110.7C3 L10 G11C3-I7 HydrophobicContact CB-CD1 4.05Å; C3-I7 WeakPolarHBondContact O-CB 3.21Å; C3-I7 VanDerWaalsContact O-CD1 3.22Å; C3-I7 WeakPolarHBondContact O-CD1 3.2Å; C3-I7 WeakPolarHBondContact O-CG1 3.33Å; C3-I7 PolarHBondContact O-N 3.15Å; I7-L10 PolarHBondContact O-N 3.31Å; I7-G11 PolarHBondContact O-N 3.49Å
8N46Very low45.2Very low64 Ų6472 Ų7234%0.34238%0.382SS..Hα-helixtrans-69.2-39.2179.1-74.8-12.6000112.8N4 S5 Y6 G11 F12 L335N4-N8 WeakPolarHBondContact O-CB 3.47Å; N4-N8 PolarHBondContact O-N 3.09Å; N4-N8 PolarHBondContact O-ND2 2.91Å; N4-N8 PolarHBondContact O-OD1 3.14Å; S5-N8 WeakPolarHBondContact O-CB 3.14Å; S5-N8 PolarHBondContact O-N 3.07Å; Y6-N8 VanDerWaalsContact C-N 3.27Å; Y6-N8 PolarHBondContact O-N 3.35Å; N8-G11 PolarHBondContact O-N 3.23Å; N8-F12 PolarHBondContact O-N 3.02Å; N8-F12 VanDerWaalsContact O-N 3.1Å; N8-L335 HydrophobicContact CB-CD1 3.69Å; N8-L335 HydrophobicContact CB-CD2 3.74Å; N8-L335 HydrophobicContact CB-CG 4.35Å
9A50.3Low47.3Very low8 Ų873.4 Ų73.47%0.06639%0.386CS..Hα-helixtrans-64.7-41.2171.600000111.5S5 Y6 F12 M13 I120 F121S5-A9 PolarHBondContact O-N 3.39Å; S5-A9 VanDerWaalsContact O-N 3.17Å; Y6-A9 PolarHBondContact O-N 3.49Å; A9-F12 VanDerWaalsContact O-CB 3.3Å; A9-F12 WeakPolarHBondContact O-CB 3.2Å; A9-F12 PolarHBondContact O-N 3.19Å; A9-M13 WeakPolarHBondContact O-CG 3.33Å; A9-M13 PolarHBondContact O-N 2.9Å; A9-I120 HydrophobicContact CB-CG2 4.32Å; A9-F121 HydrophobicContact CB-CD1 4.49Å
10L48.2Very low49.3Very low22 Ų2269.8 Ų69.812%0.11537%0.367CS..Hα-helixtrans-66-38.7175-70.3162.8000112.8Y6 I7 F12 M13 E14 P30 L35Y6-L10 HydrophobicContact CD1-CD1 4.02Å; Y6-L10 HydrophobicContact CE1-CD1 4.19Å; Y6-L10 WeakPolarHBondContact O-CG 3.25Å; Y6-L10 PolarHBondContact O-N 3.3Å; Y6-L10 VanDerWaalsContact O-N 3.1Å; I7-L10 PolarHBondContact O-N 3.31Å; L10-F12 PolarHBondContact O-N 3.41Å; L10-M13 HydrophobicContact CD2-SD 3.67Å; L10-M13 HydrophobicContact CG-SD 4.47Å; L10-M13 WeakPolarHBondContact O-CA 3.46Å; L10-M13 WeakPolarHBondContact O-CB 3.33Å; L10-M13 PolarHBondContact O-N 3.01Å; L10-E14 PolarHBondContact O-N 3.32Å; L10-P30 HydrophobicContact CD2-CB 3.98Å; L10-P30 HydrophobicContact CD2-CG 4.08Å; L10-L35 HydrophobicContact CD1-CD1 3.96Å; L10-L35 HydrophobicContact CD1-CD2 4.02Å; L10-L35 HydrophobicContact CD2-CB 4.03Å; L10-L35 HydrophobicContact CD2-CD2 3.99Å; L10-L35 HydrophobicContact CD2-CG 4.41Å
11G49.5Very low51.2Low35 Ų3570.8 Ų70.836%0.36137%0.372SS..Hα-helixtrans-62.1-31173.600000112.4I7 N8 S15I7-G11 PolarHBondContact O-N 3.49Å; N8-G11 PolarHBondContact O-N 3.23Å; G11-S15 WeakPolarHBondContact O-CB 3.18Å; G11-S15 PolarHBondContact O-N 3.44Å; G11-S15 PolarHBondContact O-OG 3.26Å
12F49.9Very low54.2Low21 Ų2165.8 Ų65.89%0.09235%0.349CS..Hα-helixtrans-68.3-33.5169.1-179.1-92.7000112.7N8 A9 L10 S15 Y18 I338N8-F12 PolarHBondContact O-N 3.02Å; N8-F12 VanDerWaalsContact O-N 3.1Å; A9-F12 VanDerWaalsContact O-CB 3.3Å; A9-F12 WeakPolarHBondContact O-CB 3.2Å; A9-F12 PolarHBondContact O-N 3.19Å; L10-F12 PolarHBondContact O-N 3.41Å; F12-S15 PolarHBondContact O-OG 3.48Å; F12-Y18 VanDerWaalsContact CE1-OH 3.26Å; F12-Y18 WeakPolarHBondContact CE1-OH 3.43Å; F12-I338 HydrophobicContact CD2-CG2 4.42Å; F12-I338 HydrophobicContact CE2-CG2 3.91Å; F12-I338 HydrophobicContact CZ-CG2 4.35Å
13M52.1Low57.3Low0 Ų060 Ų600%033%0.333CS..Hα-helixtrans-74.4-39.5177.8-59.7166.78400112.9A9 L10 F28 W45 C88A9-M13 WeakPolarHBondContact O-CG 3.33Å; A9-M13 PolarHBondContact O-N 2.9Å; L10-M13 HydrophobicContact CD2-SD 3.67Å; L10-M13 HydrophobicContact CG-SD 4.47Å; L10-M13 WeakPolarHBondContact O-CA 3.46Å; L10-M13 WeakPolarHBondContact O-CB 3.33Å; L10-M13 PolarHBondContact O-N 3.01Å; M13-F28 HydrophobicContact CB-CD1 4.05Å; M13-F28 HydrophobicContact CB-CE1 4.34Å; M13-F28 HydrophobicContact CE-CD1 3.9Å; M13-F28 HydrophobicContact CE-CE1 3.2Å; M13-F28 HydrophobicContact CE-CZ 3.57Å; M13-F28 HydrophobicContact SD-CE1 4.3Å; M13-W45 HydrophobicContact CB-CE3 4.36Å; M13-W45 HydrophobicContact CB-CH2 3.9Å; M13-W45 HydrophobicContact CB-CZ3 3.79Å; M13-W45 HydrophobicContact CE-CB 3.8Å; M13-W45 HydrophobicContact CE-CD2 3.26Å; M13-W45 HydrophobicContact CE-CE3 3.35Å; M13-W45 HydrophobicContact CE-CG 3.47Å; M13-W45 VanDerWaalsContact CE-CG 3.47Å; M13-W45 HydrophobicContact CE-CZ2 4.48Å; M13-W45 HydrophobicContact CE-CZ3 4.02Å; M13-W45 HydrophobicContact CG-CD2 4.29Å; M13-W45 HydrophobicContact CG-CE3 4.14Å; M13-W45 HydrophobicContact CG-CH2 3.66Å; M13-W45 HydrophobicContact CG-CZ2 3.82Å; M13-W45 HydrophobicContact CG-CZ3 3.83Å; M13-C88 PolarHBondContact SD-SG 2.86Å
14E50.8Low60.2Low120 Ų12065.3 Ų65.356%0.56135%0.345SS*.Hα-helixtrans-77.7-27-175.8-71.4-179173.800113.8L10 Q16 P30L10-E14 PolarHBondContact O-N 3.32Å; E14-Q16 VanDerWaalsContact C-N 3.31Å; E14-Q16 PolarHBondContact O-N 3.5Å; E14-P30 HydrophobicContact CG-CG 4.17Å; E14-P30 WeakPolarHBondContact OE1-CG 3.25Å
15S50.8Low63.1Low89 Ų8961 Ų6162%0.62232%0.323SS*.THydrogen-bonded Turntrans-79.6-3.6-171.651.60000115.3G11 F12G11-S15 WeakPolarHBondContact O-CB 3.18Å; G11-S15 PolarHBondContact O-N 3.44Å; G11-S15 PolarHBondContact O-OG 3.26Å; F12-S15 PolarHBondContact O-OG 3.48Å
16Q59.1Low65.4Low42 Ų4264.6 Ų64.620%0.19634%0.34CS..SBendtrans-127.6149-173.9-54.4-17818.500112.8E14 Y18 N52E14-Q16 VanDerWaalsContact C-N 3.31Å; E14-Q16 PolarHBondContact O-N 3.5Å; Q16-Y18 HydrophobicContact CB-CD2 3.64Å; Q16-Y18 HydrophobicContact CB-CE2 3.39Å; Q16-Y18 HydrophobicContact CB-CG 4.49Å; Q16-Y18 HydrophobicContact CG-CE2 3.94Å; Q16-Y18 PolarHBondContact O-N 3.11Å; Q16-Y18 PolarHBondContact OE1-OH 2.93Å; Q16-N52 PolarHBondContact OE1-ND2 2.6Å
17N67.9Low68Low149 Ų14963.2 Ų63.280%0.79734%0.339SS*.  trans-76.368.7174.3-72.5-24.3000110.7Q19N17-Q19 PolarHBondContact O-N 3.04Å
18Y78.7Confident70.2Confident4 Ų458.8 Ų58.82%0.01632%0.316CS..  trans-77.1100170.4-70.8-77.5000109.5F12 Q16 N26 W45 H48 A49 N52F12-Y18 VanDerWaalsContact CE1-OH 3.26Å; F12-Y18 WeakPolarHBondContact CE1-OH 3.43Å; Q16-Y18 HydrophobicContact CB-CD2 3.64Å; Q16-Y18 HydrophobicContact CB-CE2 3.39Å; Q16-Y18 HydrophobicContact CB-CG 4.49Å; Q16-Y18 HydrophobicContact CG-CE2 3.94Å; Q16-Y18 PolarHBondContact O-N 3.11Å; Q16-Y18 PolarHBondContact OE1-OH 2.93Å; Y18-N26 CarbonylContact C-O 3.51Å; Y18-W45 HydrophobicContact CD1-CH2 4.35Å; Y18-W45 AromaticContact CD2-CH2 3.7Å; Y18-W45 HydrophobicContact CD2-CH2 3.7Å; Y18-W45 AromaticContact CD2-CZ3 3.83Å; Y18-W45 HydrophobicContact CD2-CZ3 3.83Å; Y18-W45 HydrophobicContact CE1-CH2 4.06Å; Y18-W45 AromaticContact CE2-CH2 3.47Å; Y18-W45 HydrophobicContact CE2-CH2 3.47Å; Y18-W45 VanDerWaalsContact CE2-CH2 3.47Å; Y18-W45 HydrophobicContact CE2-CZ3 4.08Å; Y18-W45 HydrophobicContact CG-CH2 4.16Å; Y18-W45 HydrophobicContact CG-CZ3 4.14Å; Y18-W45 AromaticContact CZ-CH2 3.7Å; Y18-H48 WeakPolarHBondContact CB-O 3.29Å; Y18-H48 WeakPolarHBondContact CD1-O 3.47Å; Y18-H48 PolarHBondContact O-ND1 3.36Å; Y18-A49 HydrophobicContact CD1-CB 4.5Å; Y18-A49 HydrophobicContact CE1-CB 4.33Å; Y18-N52 HydrophobicContact CE1-CB 3.85Å; Y18-N52 VanDerWaalsContact CE1-CG 3.43Å; Y18-N52 WeakPolarHBondContact CE1-ND2 3.44Å; Y18-N52 PolarHBondContact OH-ND2 2.97Å
19Q85Confident72Confident98 Ų9857.5 Ų57.546%0.45831%0.311SS..  trans-74139174.5-169.4177.3-39.200110.2N17 C25N17-Q19 PolarHBondContact O-N 3.04Å; Q19-C25 CarbonylContact C-O 3.57Å; Q19-C25 WeakPolarHBondContact CA-O 3.5Å; Q19-C25 WeakPolarHBondContact CG-O 3.37Å
20C86.9Confident73.6Confident2 Ų258 Ų581%0.01431%0.313CS..  trans-73.6132.5174.6-169.20000110.6L22 C25 H43C20-L22 VanDerWaalsContact C-N 3.29Å; C20-L22 PolarHBondContact O-N 3.49Å; C20-C25 HydrophobicContact CB-CB 3.87Å; C20-C25 PolarHBondContact N-O 3.42Å; C20-H43 PolarHBondContact SG-ND1 3.13Å
21I88.8Confident75.1Confident90 Ų9057.8 Ų57.846%0.46231%0.313SS..SBendtrans-71.1-23.2175.7-164.6167.5000113.6F47 I50I21-F47 HydrophobicContact CG2-CB 4.14Å; I21-F47 HydrophobicContact CG2-CD1 3.89Å; I21-F47 PolarHBondContact N-O 3.42Å; I21-F47 VanDerWaalsContact N-O 3.07Å; I21-I50 HydrophobicContact CD1-CG2 4.43Å; I21-I50 HydrophobicContact CG2-CG2 4.32Å
22L87.1Confident76.5Confident98 Ų9863 Ų6351%0.51334%0.338SS..SBendtrans-91.5-17.8-176.6-65.5-176.4000113.9C20 F47C20-L22 VanDerWaalsContact C-N 3.29Å; C20-L22 PolarHBondContact O-N 3.49Å; L22-F47 HydrophobicContact CD1-CD1 3.5Å; L22-F47 VanDerWaalsContact CD1-CD1 3.5Å; L22-F47 HydrophobicContact CD1-CD2 4.1Å; L22-F47 HydrophobicContact CD1-CE1 3.45Å; L22-F47 VanDerWaalsContact CD1-CE1 3.45Å; L22-F47 HydrophobicContact CD1-CE2 4.1Å; L22-F47 HydrophobicContact CD1-CG 3.83Å; L22-F47 HydrophobicContact CD1-CZ 3.79Å; L22-F47 HydrophobicContact CD2-CD1 4.28Å; L22-F47 HydrophobicContact CD2-CE1 4.28Å; L22-F47 HydrophobicContact CG-CD1 3.61Å; L22-F47 HydrophobicContact CG-CE1 3.92Å; L22-F47 HydrophobicContact CG-CG 4.13Å
23C90.5Very high77.8Confident42 Ų4267 Ų6728%0.28437%0.365SS..SBendtrans-154.4174.9-175.3710000112.3C25 C41 H43C23-C25 PolarHBondContact O-N 3.21Å; C23-C25 VanDerWaalsContact SG-CB 3.56Å; C23-C41 WeakPolarHBondContact SG-CB 3.44Å; C23-H43 PolarHBondContact SG-ND1 3.32Å; C23-H43 VanDerWaalsContact SG-ND1 3.45Å
24K87.1Confident79.1Confident201 Ų20168.1 Ų68.187%0.87437%0.373SS*.SBendtrans-78.228.5-178.9-56.9-176.8-179.3-178.90114N26K24-N26 PolarHBondContact O-N 3.46Å; K24-N26 PolarHBondContact O-OD1 3.25Å
25C88.1Confident80.6Confident12 Ų1264.2 Ų64.28%0.08136%0.355CS..  trans-82.1116.7179.3-170.20000109.7Q19 C20 C23 C41Q19-C25 CarbonylContact C-O 3.57Å; Q19-C25 WeakPolarHBondContact CA-O 3.5Å; Q19-C25 WeakPolarHBondContact CG-O 3.37Å; C20-C25 HydrophobicContact CB-CB 3.87Å; C20-C25 PolarHBondContact N-O 3.42Å; C23-C25 PolarHBondContact O-N 3.21Å; C23-C25 VanDerWaalsContact SG-CB 3.56Å; C25-C41 HydrophobicContact CB-CB 4.01Å
26N87Confident82.3Confident106 Ų10660 Ų6057%0.56733%0.326SS*.  trans-84.7-22.3-171.4-63.8-12000114.7Y18 K24Y18-N26 CarbonylContact C-O 3.51Å; K24-N26 PolarHBondContact O-N 3.46Å; K24-N26 PolarHBondContact O-OD1 3.25Å
27S85.9Confident83.7Confident30 Ų3061 Ų6121%0.2133%0.328CS..SBendtrans-147.2134.1179.959.70000111.1K40S27-K40 PolarHBondContact OG-NZ 3.48Å
28F84Confident84.6Confident1 Ų153.9 Ų53.90%0.00429%0.29CS..  trans-69.3127.9174.1-177.1-93000109.9M13 P30 C38 W45 H48M13-F28 HydrophobicContact CB-CD1 4.05Å; M13-F28 HydrophobicContact CB-CE1 4.34Å; M13-F28 HydrophobicContact CE-CD1 3.9Å; M13-F28 HydrophobicContact CE-CE1 3.2Å; M13-F28 HydrophobicContact CE-CZ 3.57Å; M13-F28 HydrophobicContact SD-CE1 4.3Å; F28-P30 HydrophobicContact CE1-CB 3.83Å; F28-P30 HydrophobicContact CE1-CG 4.4Å; F28-P30 HydrophobicContact CZ-CB 4.39Å; F28-C38 HydrophobicContact CD2-CB 3.68Å; F28-C38 HydrophobicContact CE2-CB 3.73Å; F28-W45 HydrophobicContact CB-CE3 4.27Å; F28-W45 HydrophobicContact CB-CZ3 4.08Å; F28-W45 AromaticContact CD1-CE3 3.81Å; F28-W45 HydrophobicContact CD1-CE3 3.81Å; F28-W45 AromaticContact CD1-CZ3 4Å; F28-W45 HydrophobicContact CD1-CZ3 4Å; F28-W45 AromaticContact CD2-CE3 3.9Å; F28-W45 HydrophobicContact CD2-CE3 3.9Å; F28-W45 HydrophobicContact CE1-CE3 4.09Å; F28-W45 HydrophobicContact CE2-CB 4.1Å; F28-W45 HydrophobicContact CE2-CE3 4.17Å; F28-W45 AromaticContact CG-CE3 3.71Å; F28-W45 HydrophobicContact CG-CE3 3.71Å; F28-W45 AromaticContact CG-CZ3 3.95Å; F28-W45 HydrophobicContact CG-CZ3 3.95Å; F28-W45 HydrophobicContact CZ-CB 4.2Å; F28-W45 HydrophobicContact CZ-CE3 4.26Å; F28-H48 HydrophobicContact CB-CB 4.11Å; F28-H48 HydrophobicContact CD2-CB 4.08Å; F28-H48 AromaticContact CD2-CD2 3.66Å; F28-H48 AromaticContact CD2-CG 3.77Å; F28-H48 HydrophobicContact CG-CB 4.45Å
29T85.1Confident85.1Confident38 Ų3856.8 Ų56.823%0.23331%0.311CS..  trans-126.4116.7170.446.80000108.3C38 S39 K40T29-C38 CarbonylContact O-C 3.51Å; T29-C38 VanDerWaalsContact O-CA 3.29Å; T29-C38 WeakPolarHBondContact O-CA 3.25Å; T29-S39 PolarHBondContact O-N 3.38Å; T29-S39 PolarHBondContact O-OG 3.22Å; T29-S39 PolarHBondContact OG1-OG 3.22Å; T29-K40 WeakPolarHBondContact OG1-CE 3.42Å
30P82.6Confident85.3Confident19 Ų1958 Ų5812%0.12332%0.315CS..BIsolated β-bridgetrans-64.3138.7-174.424.3-32.2000112L10 E14 F28 L35L10-P30 HydrophobicContact CD2-CB 3.98Å; L10-P30 HydrophobicContact CD2-CG 4.08Å; E14-P30 HydrophobicContact CG-CG 4.17Å; E14-P30 WeakPolarHBondContact OE1-CG 3.25Å; F28-P30 HydrophobicContact CE1-CB 3.83Å; F28-P30 HydrophobicContact CE1-CG 4.4Å; F28-P30 HydrophobicContact CZ-CB 4.39Å; P30-L35 HydrophobicContact CB-CD2 3.87Å
31C80.9Confident85.5Confident16 Ų1659.3 Ų59.311%0.10832%0.323CS..  trans-67.8139.4169.8-70.70000110.9T33 S34 L35 Y37 C38 S39C31-T33 PolarHBondContact O-N 3.28Å; C31-S34 WeakPolarHBondContact CB-O 3.42Å; C31-S34 CarbonylContact O-C 3.48Å; C31-S34 PolarHBondContact O-N 2.99Å; C31-L35 WeakPolarHBondContact O-CD2 3.49Å; C31-L35 PolarHBondContact O-N 3.23Å; C31-Y37 PolarHBondContact N-O 3.23Å; C31-Y37 PolarHBondContact SG-O 2.9Å; C31-Y37 VanDerWaalsContact SG-O 3.4Å; C31-C38 VanDerWaalsContact SG-C 3.53Å; C31-S39 WeakPolarHBondContact SG-CA 3.4Å; C31-S39 PolarHBondContact SG-N 3.09Å; C31-S39 VanDerWaalsContact SG-N 3.35Å
32T77.5Confident85.6Confident145 Ų14560.5 Ų60.589%0.8933%0.331SS*.SBendtrans-61.7-30.8176.154.30000113.2
33T77.3Confident85.7Confident106 Ų10658.4 Ų58.465%0.6532%0.318SS*.SBendtrans-87.1-29179.455.10000113.3C31 Q139C31-T33 PolarHBondContact O-N 3.28Å; T33-Q139 PolarHBondContact O-NE2 3.14Å
34S80.3Confident85.7Confident23 Ų2356.5 Ų56.516%0.16131%0.305CS..  trans-151.190.2-172.557.50000110.5C31 R36 Y37C31-S34 WeakPolarHBondContact CB-O 3.42Å; C31-S34 CarbonylContact O-C 3.48Å; C31-S34 PolarHBondContact O-N 2.99Å; S34-R36 PolarHBondContact O-N 2.95Å; S34-Y37 PolarHBondContact O-N 3.19Å
35L82.6Confident85.9Confident37 Ų3746.9 Ų46.919%0.19426%0.264CS..THydrogen-bonded Turntrans-63.5-13.6-171.2-63163.3000114.4Y6 L10 P30 C31 Y37Y6-L35 HydrophobicContact CD1-CD1 4.13Å; Y6-L35 HydrophobicContact CE1-CD1 3.09Å; Y6-L35 VanDerWaalsContact OH-CD1 3.29Å; Y6-L35 WeakPolarHBondContact OH-CD1 3.18Å; L10-L35 HydrophobicContact CD1-CD1 3.96Å; L10-L35 HydrophobicContact CD1-CD2 4.02Å; L10-L35 HydrophobicContact CD2-CB 4.03Å; L10-L35 HydrophobicContact CD2-CD2 3.99Å; L10-L35 HydrophobicContact CD2-CG 4.41Å; P30-L35 HydrophobicContact CB-CD2 3.87Å; C31-L35 WeakPolarHBondContact O-CD2 3.49Å; C31-L35 PolarHBondContact O-N 3.23Å; L35-Y37 VanDerWaalsContact C-N 3.31Å
36R86.3Confident86Confident1 Ų146.3 Ų46.30%0.00426%0.26CS..THydrogen-bonded Turntrans-70.8-25.2172.2-168.7165.3-164.3-99.9-9.2113.4S34 S44 W45 C90 I144 E149S34-R36 PolarHBondContact O-N 2.95Å; R36-S44 CarbonylContact O-C 3.18Å; R36-S44 WeakPolarHBondContact O-CA 3.35Å; R36-W45 PolarHBondContact O-N 3.24Å; R36-C90 PolarHBondContact NE-SG 3.46Å; R36-I144 PolarHBondContact NH1-O 2.72Å; R36-E149 IonicContact CZ-OE1 3.14Å; R36-E149 IonicContact CZ-OE2 3.47Å; R36-E149 VanDerWaalsContact NH1-CD 3.28Å; R36-E149 IonicContact NH1-OE1 2.77Å; R36-E149 PolarHBondContact NH1-OE1 3.14Å; R36-E149 IonicContact NH1-OE2 3.37Å; R36-E149 PolarHBondContact NH1-OE2 2.94Å; R36-E149 IonicContact NH2-OE1 2.67Å; R36-E149 PolarHBondContact NH2-OE1 3.09Å; R36-E149 IonicContact NH2-OE2 2.74Å; R36-E149 PolarHBondContact NH2-OE2 2.93Å
37Y88.3Confident86.2Confident62 Ų6242.4 Ų42.424%0.24324%0.238CC..BIsolated β-bridgetrans-107.9147.1-174.5-62.4-83.1000111.3C31 S34 L35 N42C31-Y37 PolarHBondContact N-O 3.23Å; C31-Y37 PolarHBondContact SG-O 2.9Å; C31-Y37 VanDerWaalsContact SG-O 3.4Å; S34-Y37 PolarHBondContact O-N 3.19Å; L35-Y37 VanDerWaalsContact C-N 3.31Å; Y37-N42 WeakPolarHBondContact CD1-O 3.48Å
38C87.3Confident86.3Confident0 Ų041 Ų410%023%0.228CC..BIsolated β-bridgetrans-79130.4176.3-1780000110.4F28 T29 C31 K40 C41 N42 H43F28-C38 HydrophobicContact CD2-CB 3.68Å; F28-C38 HydrophobicContact CE2-CB 3.73Å; T29-C38 CarbonylContact O-C 3.51Å; T29-C38 VanDerWaalsContact O-CA 3.29Å; T29-C38 WeakPolarHBondContact O-CA 3.25Å; C31-C38 VanDerWaalsContact SG-C 3.53Å; C38-K40 PolarHBondContact O-N 3.25Å; C38-C41 VanDerWaalsContact CB-SG 3.56Å; C38-N42 WeakPolarHBondContact O-CA 3.48Å; C38-N42 PolarHBondContact O-N 3.29Å; C38-N42 PolarHBondContact O-OD1 3.11Å; C38-H43 WeakPolarHBondContact CB-O 3.39Å; C38-H43 PolarHBondContact N-O 3.3Å
39S88.5Confident86.5Confident65 Ų6541.1 Ų41.146%0.45523%0.229SC..THydrogen-bonded Turntrans-68.5-18.4177.957.80000114.3T29 C31T29-S39 PolarHBondContact O-N 3.38Å; T29-S39 PolarHBondContact O-OG 3.22Å; T29-S39 PolarHBondContact OG1-OG 3.22Å; C31-S39 WeakPolarHBondContact SG-CA 3.4Å; C31-S39 PolarHBondContact SG-N 3.09Å; C31-S39 VanDerWaalsContact SG-N 3.35Å
40K89.3Confident86.7Confident124 Ų12439.5 Ų39.554%0.53922%0.219SC..THydrogen-bonded Turntrans-87.5-40.3179.9-66.1172.3-172.8171.10113.4S27 T29 C38S27-K40 PolarHBondContact OG-NZ 3.48Å; T29-K40 WeakPolarHBondContact OG1-CE 3.42Å; C38-K40 PolarHBondContact O-N 3.25Å
41C91.3Very high86.9Confident29 Ų2942.4 Ų42.420%0.19623%0.231CC..THydrogen-bonded Turntrans-122.8-4.7-173.565.10000114.6C23 C25 C38 H43 H48C23-C41 WeakPolarHBondContact SG-CB 3.44Å; C25-C41 HydrophobicContact CB-CB 4.01Å; C38-C41 VanDerWaalsContact CB-SG 3.56Å; C41-H43 PolarHBondContact O-N 3.19Å; C41-H48 PolarHBondContact SG-NE2 3.19Å; C41-H48 VanDerWaalsContact SG-NE2 3.37Å
42N90.4Very high87Confident116 Ų11643.5 Ų43.562%0.6224%0.235SC*.  trans55.211.1-174.3-67.1-11.8000115.3Y37 C38Y37-N42 WeakPolarHBondContact CD1-O 3.48Å; C38-N42 WeakPolarHBondContact O-CA 3.48Å; C38-N42 PolarHBondContact O-N 3.29Å; C38-N42 PolarHBondContact O-OD1 3.11Å
43H90.5Very high87.4Confident54 Ų5436.6 Ų36.625%0.2519%0.193CC..  trans-77.8152.5168-61.1142.5000110.2C20 C23 C38 C41 F47C20-H43 PolarHBondContact SG-ND1 3.13Å; C23-H43 PolarHBondContact SG-ND1 3.32Å; C23-H43 VanDerWaalsContact SG-ND1 3.45Å; C38-H43 WeakPolarHBondContact CB-O 3.39Å; C38-H43 PolarHBondContact N-O 3.3Å; C41-H43 PolarHBondContact O-N 3.19Å; H43-F47 HydrophobicContact CB-CB 4.41Å; H43-F47 HydrophobicContact CB-CD2 4.16Å
44S90.3Very high87.9Confident1 Ų133.3 Ų33.31%0.00717%0.173CC..BIsolated β-bridgetrans-72.9161.9179.2700000112.8R36 T46 F47 E149R36-S44 CarbonylContact O-C 3.18Å; R36-S44 WeakPolarHBondContact O-CA 3.35Å; S44-T46 PolarHBondContact O-N 3.12Å; S44-F47 PolarHBondContact O-N 2.91Å; S44-F47 VanDerWaalsContact O-N 3.13Å; S44-F47 WeakPolarHBondContact OG-CD2 3.46Å; S44-F47 WeakPolarHBondContact OG-CE2 3.3Å; S44-E149 WeakPolarHBondContact CB-OE1 3.13Å; S44-E149 PolarHBondContact OG-OE1 3.12Å
45W90Very high88.1Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-49.6-39.9172.6170-122000112.6M13 Y18 F28 R36 F47 H48 A49 N84M13-W45 HydrophobicContact CB-CE3 4.36Å; M13-W45 HydrophobicContact CB-CH2 3.9Å; M13-W45 HydrophobicContact CB-CZ3 3.79Å; M13-W45 HydrophobicContact CE-CB 3.8Å; M13-W45 HydrophobicContact CE-CD2 3.26Å; M13-W45 HydrophobicContact CE-CE3 3.35Å; M13-W45 HydrophobicContact CE-CG 3.47Å; M13-W45 VanDerWaalsContact CE-CG 3.47Å; M13-W45 HydrophobicContact CE-CZ2 4.48Å; M13-W45 HydrophobicContact CE-CZ3 4.02Å; M13-W45 HydrophobicContact CG-CD2 4.29Å; M13-W45 HydrophobicContact CG-CE3 4.14Å; M13-W45 HydrophobicContact CG-CH2 3.66Å; M13-W45 HydrophobicContact CG-CZ2 3.82Å; M13-W45 HydrophobicContact CG-CZ3 3.83Å; Y18-W45 HydrophobicContact CD1-CH2 4.35Å; Y18-W45 AromaticContact CD2-CH2 3.7Å; Y18-W45 HydrophobicContact CD2-CH2 3.7Å; Y18-W45 AromaticContact CD2-CZ3 3.83Å; Y18-W45 HydrophobicContact CD2-CZ3 3.83Å; Y18-W45 HydrophobicContact CE1-CH2 4.06Å; Y18-W45 AromaticContact CE2-CH2 3.47Å; Y18-W45 HydrophobicContact CE2-CH2 3.47Å; Y18-W45 VanDerWaalsContact CE2-CH2 3.47Å; Y18-W45 HydrophobicContact CE2-CZ3 4.08Å; Y18-W45 HydrophobicContact CG-CH2 4.16Å; Y18-W45 HydrophobicContact CG-CZ3 4.14Å; Y18-W45 AromaticContact CZ-CH2 3.7Å; F28-W45 HydrophobicContact CB-CE3 4.27Å; F28-W45 HydrophobicContact CB-CZ3 4.08Å; F28-W45 AromaticContact CD1-CE3 3.81Å; F28-W45 HydrophobicContact CD1-CE3 3.81Å; F28-W45 AromaticContact CD1-CZ3 4Å; F28-W45 HydrophobicContact CD1-CZ3 4Å; F28-W45 AromaticContact CD2-CE3 3.9Å; F28-W45 HydrophobicContact CD2-CE3 3.9Å; F28-W45 HydrophobicContact CE1-CE3 4.09Å; F28-W45 HydrophobicContact CE2-CB 4.1Å; F28-W45 HydrophobicContact CE2-CE3 4.17Å; F28-W45 AromaticContact CG-CE3 3.71Å; F28-W45 HydrophobicContact CG-CE3 3.71Å; F28-W45 AromaticContact CG-CZ3 3.95Å; F28-W45 HydrophobicContact CG-CZ3 3.95Å; F28-W45 HydrophobicContact CZ-CB 4.2Å; F28-W45 HydrophobicContact CZ-CE3 4.26Å; R36-W45 PolarHBondContact O-N 3.24Å; W45-F47 VanDerWaalsContact C-N 3.26Å; W45-F47 PolarHBondContact O-N 3.08Å; W45-H48 HydrophobicContact CE3-CB 4.25Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.32Å; W45-A49 HydrophobicContact CD2-CB 3.88Å; W45-A49 VanDerWaalsContact CE2-CB 3.44Å; W45-A49 HydrophobicContact CE3-CB 4.27Å; W45-A49 HydrophobicContact CH2-CB 3.91Å; W45-A49 HydrophobicContact CZ2-CB 3.46Å; W45-A49 VanDerWaalsContact CZ2-CB 3.46Å; W45-A49 HydrophobicContact CZ3-CB 4.29Å; W45-A49 WeakPolarHBondContact O-CB 3.48Å; W45-A49 PolarHBondContact O-N 3.35Å; W45-N84 PolarHBondContact NE1-OD1 3.08Å
46T91.3Very high88.1Confident0 Ų036.8 Ų36.80%019%0.187CC..Hα-helixtrans-56.4-41.3-178.7-48.30000111.4S44 H48 A49 I50 L85 E149 I153S44-T46 PolarHBondContact O-N 3.12Å; T46-H48 PolarHBondContact O-N 3.03Å; T46-A49 PolarHBondContact O-N 3.02Å; T46-I50 VanDerWaalsContact O-CB 3.27Å; T46-I50 WeakPolarHBondContact O-CB 3.38Å; T46-I50 PolarHBondContact O-N 3.42Å; T46-L85 HydrophobicContact CG2-CD2 4.23Å; T46-L85 PolarHBondContact OG1-O 2.69Å; T46-E149 HydrophobicContact CG2-CB 3.99Å; T46-E149 HydrophobicContact CG2-CG 4.16Å; T46-I153 HydrophobicContact CG2-CD1 4.04Å; T46-I153 HydrophobicContact CG2-CG1 4.01Å
47F90.7Very high88Confident23 Ų2336.8 Ų36.810%0.10119%0.187CC..Hα-helixtrans-70.2-18.5178.9-64.3-74.5000114.5I21 L22 H43 S44 W45 E149 L152I21-F47 HydrophobicContact CG2-CB 4.14Å; I21-F47 HydrophobicContact CG2-CD1 3.89Å; I21-F47 PolarHBondContact N-O 3.42Å; I21-F47 VanDerWaalsContact N-O 3.07Å; L22-F47 HydrophobicContact CD1-CD1 3.5Å; L22-F47 VanDerWaalsContact CD1-CD1 3.5Å; L22-F47 HydrophobicContact CD1-CD2 4.1Å; L22-F47 HydrophobicContact CD1-CE1 3.45Å; L22-F47 VanDerWaalsContact CD1-CE1 3.45Å; L22-F47 HydrophobicContact CD1-CE2 4.1Å; L22-F47 HydrophobicContact CD1-CG 3.83Å; L22-F47 HydrophobicContact CD1-CZ 3.79Å; L22-F47 HydrophobicContact CD2-CD1 4.28Å; L22-F47 HydrophobicContact CD2-CE1 4.28Å; L22-F47 HydrophobicContact CG-CD1 3.61Å; L22-F47 HydrophobicContact CG-CE1 3.92Å; L22-F47 HydrophobicContact CG-CG 4.13Å; H43-F47 HydrophobicContact CB-CB 4.41Å; H43-F47 HydrophobicContact CB-CD2 4.16Å; S44-F47 PolarHBondContact O-N 2.91Å; S44-F47 VanDerWaalsContact O-N 3.13Å; S44-F47 WeakPolarHBondContact OG-CD2 3.46Å; S44-F47 WeakPolarHBondContact OG-CE2 3.3Å; W45-F47 VanDerWaalsContact C-N 3.26Å; W45-F47 PolarHBondContact O-N 3.08Å; F47-E149 HydrophobicContact CE2-CG 4.05Å; F47-E149 HydrophobicContact CZ-CG 4.26Å; F47-L152 HydrophobicContact CD1-CD1 3.55Å; F47-L152 HydrophobicContact CE1-CD1 3.27Å; F47-L152 HydrophobicContact CZ-CD1 4.24Å
48H88.2Confident87.9Confident1 Ų137.5 Ų37.51%0.00520%0.195CC..Hα-helixtrans-90.7-36.8175.5-82.8-96.4000111.6Y18 F28 C41 W45 T46Y18-H48 WeakPolarHBondContact CB-O 3.29Å; Y18-H48 WeakPolarHBondContact CD1-O 3.47Å; Y18-H48 PolarHBondContact O-ND1 3.36Å; F28-H48 HydrophobicContact CB-CB 4.11Å; F28-H48 HydrophobicContact CD2-CB 4.08Å; F28-H48 AromaticContact CD2-CD2 3.66Å; F28-H48 AromaticContact CD2-CG 3.77Å; F28-H48 HydrophobicContact CG-CB 4.45Å; C41-H48 PolarHBondContact SG-NE2 3.19Å; C41-H48 VanDerWaalsContact SG-NE2 3.37Å; W45-H48 HydrophobicContact CE3-CB 4.25Å; W45-H48 WeakPolarHBondContact O-CB 3.44Å; W45-H48 PolarHBondContact O-N 3.32Å; T46-H48 PolarHBondContact O-N 3.03Å
49A88Confident87.6Confident4 Ų439.5 Ų39.53%0.03320%0.204CC..Hα-helixtrans-92.2-13.3-174.100000114.5Y18 W45 T46 E51 N52 F53 L85Y18-A49 HydrophobicContact CD1-CB 4.5Å; Y18-A49 HydrophobicContact CE1-CB 4.33Å; W45-A49 HydrophobicContact CD2-CB 3.88Å; W45-A49 VanDerWaalsContact CE2-CB 3.44Å; W45-A49 HydrophobicContact CE3-CB 4.27Å; W45-A49 HydrophobicContact CH2-CB 3.91Å; W45-A49 HydrophobicContact CZ2-CB 3.46Å; W45-A49 VanDerWaalsContact CZ2-CB 3.46Å; W45-A49 HydrophobicContact CZ3-CB 4.29Å; W45-A49 WeakPolarHBondContact O-CB 3.48Å; W45-A49 PolarHBondContact O-N 3.35Å; T46-A49 PolarHBondContact O-N 3.02Å; A49-E51 VanDerWaalsContact C-N 3.3Å; A49-E51 PolarHBondContact O-N 3.22Å; A49-N52 PolarHBondContact O-N 3.16Å; A49-F53 PolarHBondContact O-N 3.07Å; A49-L85 HydrophobicContact CB-CD2 3.59Å
50I88.6Confident87.2Confident3 Ų337.2 Ų37.22%0.01519%0.186CC..Hα-helixtrans-61.3-35.4-175.4-163.465.5000112.9I21 T46 N52 F53 V54 L85 Q156I21-I50 HydrophobicContact CD1-CG2 4.43Å; I21-I50 HydrophobicContact CG2-CG2 4.32Å; T46-I50 VanDerWaalsContact O-CB 3.27Å; T46-I50 WeakPolarHBondContact O-CB 3.38Å; T46-I50 PolarHBondContact O-N 3.42Å; I50-N52 PolarHBondContact O-N 2.96Å; I50-F53 HydrophobicContact CD1-CD1 4.2Å; I50-F53 WeakPolarHBondContact O-CB 3.32Å; I50-F53 PolarHBondContact O-N 2.84Å; I50-V54 WeakPolarHBondContact O-CG2 3.46Å; I50-V54 PolarHBondContact O-N 3.29Å; I50-L85 HydrophobicContact CD1-CD1 4.14Å; I50-Q156 HydrophobicContact CD1-CG 3.83Å; I50-Q156 HydrophobicContact CG1-CG 4.09Å
51E86.6Confident86.9Confident81 Ų8133.9 Ų33.938%0.37917%0.174SC..Hα-helixtrans-64.7-41.9179.4-67.9-173.2165.800111.6A49 F53 V54 I55A49-E51 VanDerWaalsContact C-N 3.3Å; A49-E51 PolarHBondContact O-N 3.22Å; E51-F53 VanDerWaalsContact C-N 3.28Å; E51-F53 PolarHBondContact O-N 3.47Å; E51-V54 WeakPolarHBondContact O-CB 3.25Å; E51-V54 PolarHBondContact O-N 2.71Å; E51-V54 VanDerWaalsContact O-N 3.13Å; E51-I55 WeakPolarHBondContact O-CG1 3.39Å; E51-I55 PolarHBondContact O-N 3.02Å
52N82.8Confident86.4Confident38 Ų3838.9 Ų38.920%0.20320%0.195CC..Hα-helixtrans-62.8-38.6174.6-80.810.8000111.4Q16 Y18 A49 I50 V54 I55 Y56Q16-N52 PolarHBondContact OE1-ND2 2.6Å; Y18-N52 HydrophobicContact CE1-CB 3.85Å; Y18-N52 VanDerWaalsContact CE1-CG 3.43Å; Y18-N52 WeakPolarHBondContact CE1-ND2 3.44Å; Y18-N52 PolarHBondContact OH-ND2 2.97Å; A49-N52 PolarHBondContact O-N 3.16Å; I50-N52 PolarHBondContact O-N 2.96Å; N52-V54 VanDerWaalsContact C-N 3.31Å; N52-V54 PolarHBondContact O-N 3.27Å; N52-I55 WeakPolarHBondContact O-CB 3.48Å; N52-I55 PolarHBondContact O-N 3.02Å; N52-Y56 WeakPolarHBondContact O-CD2 3.04Å; N52-Y56 PolarHBondContact O-N 2.71Å; N52-Y56 VanDerWaalsContact O-N 3.12Å
53F87.6Confident85.4Confident1 Ų135.6 Ų35.60%0.00418%0.175CC..Hα-helixtrans-61-40.6174.4-173.1-121000112.4A49 I50 E51 Y56 I57 I78 Q81 L82 L85 Q156 I157A49-F53 PolarHBondContact O-N 3.07Å; I50-F53 HydrophobicContact CD1-CD1 4.2Å; I50-F53 WeakPolarHBondContact O-CB 3.32Å; I50-F53 PolarHBondContact O-N 2.84Å; E51-F53 VanDerWaalsContact C-N 3.28Å; E51-F53 PolarHBondContact O-N 3.47Å; F53-Y56 PolarHBondContact O-N 3.18Å; F53-I57 HydrophobicContact CD1-CD1 3.81Å; F53-I57 HydrophobicContact CE1-CD1 3.48Å; F53-I57 VanDerWaalsContact CE1-CD1 3.48Å; F53-I57 HydrophobicContact CE1-CG1 4.47Å; F53-I57 HydrophobicContact CE2-CD1 4.38Å; F53-I57 HydrophobicContact CG-CD1 4.39Å; F53-I57 HydrophobicContact CZ-CD1 3.79Å; F53-I57 HydrophobicContact CZ-CG1 4.4Å; F53-I57 WeakPolarHBondContact O-CG1 3.13Å; F53-I57 PolarHBondContact O-N 3.02Å; F53-I57 VanDerWaalsContact O-N 3.09Å; F53-I78 HydrophobicContact CE2-CG2 4.03Å; F53-I78 HydrophobicContact CZ-CG2 4.35Å; F53-Q81 HydrophobicContact CD2-CB 3.72Å; F53-Q81 HydrophobicContact CE2-CB 4.18Å; F53-L82 HydrophobicContact CE2-CB 4.15Å; F53-L82 HydrophobicContact CZ-CB 4.29Å; F53-L82 HydrophobicContact CZ-CD1 4.2Å; F53-L85 HydrophobicContact CB-CD1 3.73Å; F53-L85 HydrophobicContact CD1-CD1 3.66Å; F53-L85 HydrophobicContact CD2-CD1 3.99Å; F53-L85 HydrophobicContact CE1-CD1 4.22Å; F53-L85 HydrophobicContact CG-CD1 3.52Å; F53-Q156 HydrophobicContact CD1-CB 3.93Å; F53-Q156 HydrophobicContact CD1-CG 4.43Å; F53-Q156 HydrophobicContact CE1-CB 3.94Å; F53-I157 HydrophobicContact CE1-CD1 3.99Å; F53-I157 HydrophobicContact CE1-CG1 4.36Å; F53-I157 HydrophobicContact CZ-CD1 3.62Å; F53-I157 HydrophobicContact CZ-CG1 4.46Å
54V87.6Confident84.2Confident36 Ų3637.1 Ų37.122%0.21819%0.185CC..Hα-helixtrans-61.2-43.1173.9174.50000111.6I50 E51 N52 Y56 I57 N58 Q156I50-V54 WeakPolarHBondContact O-CG2 3.46Å; I50-V54 PolarHBondContact O-N 3.29Å; E51-V54 WeakPolarHBondContact O-CB 3.25Å; E51-V54 PolarHBondContact O-N 2.71Å; E51-V54 VanDerWaalsContact O-N 3.13Å; N52-V54 VanDerWaalsContact C-N 3.31Å; N52-V54 PolarHBondContact O-N 3.27Å; V54-Y56 VanDerWaalsContact C-N 3.31Å; V54-Y56 PolarHBondContact O-N 3.46Å; V54-I57 PolarHBondContact O-N 3.35Å; V54-N58 VanDerWaalsContact O-CG 3.31Å; V54-N58 PolarHBondContact O-N 3.32Å; V54-Q156 HydrophobicContact CG2-CG 3.76Å
55I84.1Confident82.7Confident103 Ų10343.1 Ų43.153%0.52822%0.221SC..Hα-helixtrans-58.1-44.7177.4-65.9168.1000110.8E51 N52 I57 N58 H59E51-I55 WeakPolarHBondContact O-CG1 3.39Å; E51-I55 PolarHBondContact O-N 3.02Å; N52-I55 WeakPolarHBondContact O-CB 3.48Å; N52-I55 PolarHBondContact O-N 3.02Å; I55-I57 PolarHBondContact O-N 3.3Å; I55-N58 PolarHBondContact O-N 2.95Å; I55-H59 WeakPolarHBondContact O-CB 3.11Å; I55-H59 PolarHBondContact O-N 3.41Å
56Y82.8Confident80.9Confident30 Ų3046.2 Ų46.212%0.11824%0.243CC..Hα-helixtrans-65.7-37.8178-73.5-67.2000113.1N52 F53 V54 F60 I77 Q81 S342N52-Y56 WeakPolarHBondContact O-CD2 3.04Å; N52-Y56 PolarHBondContact O-N 2.71Å; N52-Y56 VanDerWaalsContact O-N 3.12Å; F53-Y56 PolarHBondContact O-N 3.18Å; V54-Y56 VanDerWaalsContact C-N 3.31Å; V54-Y56 PolarHBondContact O-N 3.46Å; Y56-F60 WeakPolarHBondContact O-CB 3.46Å; Y56-F60 PolarHBondContact O-N 3.44Å; Y56-I77 HydrophobicContact CD1-CG2 3.51Å; Y56-I77 HydrophobicContact CE1-CG2 3.63Å; Y56-I77 HydrophobicContact CG-CG2 4.06Å; Y56-Q81 HydrophobicContact CD2-CG 3.74Å; Y56-Q81 HydrophobicContact CE2-CG 3.91Å; Y56-Q81 HydrophobicContact CG-CG 4.42Å; Y56-S342 PolarHBondContact OH-OG 2.66Å
57I84.5Confident79.1Confident1 Ų151 Ų511%0.00527%0.272CS..Hα-helixtrans-65-45.2175.5-69.9171.6000110.8F53 V54 I55 H59 F60 N61 Q156 N159 L160F53-I57 HydrophobicContact CD1-CD1 3.81Å; F53-I57 HydrophobicContact CE1-CD1 3.48Å; F53-I57 VanDerWaalsContact CE1-CD1 3.48Å; F53-I57 HydrophobicContact CE1-CG1 4.47Å; F53-I57 HydrophobicContact CE2-CD1 4.38Å; F53-I57 HydrophobicContact CG-CD1 4.39Å; F53-I57 HydrophobicContact CZ-CD1 3.79Å; F53-I57 HydrophobicContact CZ-CG1 4.4Å; F53-I57 WeakPolarHBondContact O-CG1 3.13Å; F53-I57 PolarHBondContact O-N 3.02Å; F53-I57 VanDerWaalsContact O-N 3.09Å; V54-I57 PolarHBondContact O-N 3.35Å; I55-I57 PolarHBondContact O-N 3.3Å; I57-H59 PolarHBondContact O-N 2.95Å; I57-F60 WeakPolarHBondContact O-CB 3.5Å; I57-F60 PolarHBondContact O-N 3.37Å; I57-N61 PolarHBondContact O-N 3.21Å; I57-Q156 HydrophobicContact CD1-CB 3.89Å; I57-Q156 WeakPolarHBondContact CD1-O 3.46Å; I57-N159 HydrophobicContact CG2-CB 3.9Å; I57-L160 HydrophobicContact CB-CD2 4.45Å; I57-L160 HydrophobicContact CD1-CG 4.43Å; I57-L160 HydrophobicContact CG1-CD1 4.48Å; I57-L160 HydrophobicContact CG1-CD2 4.07Å; I57-L160 HydrophobicContact CG1-CG 4.22Å; I57-L160 HydrophobicContact CG2-CD2 4.01Å; I57-L160 HydrophobicContact CG2-CG 4.3Å
58N85Confident77.6Confident77 Ų7754.8 Ų54.841%0.41230%0.302SS..Hα-helixtrans-61.3-45.9178.8-69.7-15.2000111.2V54 I55 F60 N61 E62V54-N58 VanDerWaalsContact O-CG 3.31Å; V54-N58 PolarHBondContact O-N 3.32Å; I55-N58 PolarHBondContact O-N 2.95Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 PolarHBondContact O-N 3.49Å; N58-N61 PolarHBondContact O-N 3.23Å; N58-N61 VanDerWaalsContact O-N 3.16Å; N58-E62 WeakPolarHBondContact O-CG 3.37Å; N58-E62 PolarHBondContact O-N 3.33Å
59H81.3Confident76.1Confident42 Ų4259 Ų5919%0.19433%0.331CS..Hα-helixtrans-62.5-38.2176.9-173.8-90.2000112.4I55 I57 Q63 H74I55-H59 WeakPolarHBondContact O-CB 3.11Å; I55-H59 PolarHBondContact O-N 3.41Å; I57-H59 PolarHBondContact O-N 2.95Å; H59-Q63 PolarHBondContact CE1-NE2 3.48Å; H59-Q63 PolarHBondContact NE2-NE2 3.47Å; H59-Q63 WeakPolarHBondContact O-CG 3.33Å; H59-Q63 PolarHBondContact O-N 2.85Å; H59-Q63 VanDerWaalsContact O-N 3.14Å; H59-H74 AromaticContact CE1-CE1 3.15Å; H59-H74 PolarHBondContact CE1-CE1 3.24Å; H59-H74 AromaticContact CE1-NE2 3.51Å; H59-H74 AromaticContact ND1-CE1 3.15Å; H59-H74 PolarHBondContact ND1-CE1 3.15Å; H59-H74 AromaticContact ND1-ND1 3.56Å; H59-H74 AromaticContact ND1-NE2 3.73Å
60F81Confident74.6Confident17 Ų1762.3 Ų62.38%0.07535%0.349CS..Hα-helixtrans-62-46.7172.6175.2-112.4000111.7Y56 I57 N58 E62 Q63 I64 H74 I75 I78 L160 P161Y56-F60 WeakPolarHBondContact O-CB 3.46Å; Y56-F60 PolarHBondContact O-N 3.44Å; I57-F60 WeakPolarHBondContact O-CB 3.5Å; I57-F60 PolarHBondContact O-N 3.37Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 PolarHBondContact O-N 3.49Å; F60-E62 VanDerWaalsContact C-N 3.34Å; F60-E62 PolarHBondContact O-N 3.2Å; F60-Q63 PolarHBondContact O-N 2.88Å; F60-Q63 VanDerWaalsContact O-N 3.15Å; F60-I64 HydrophobicContact CD1-CD1 3.95Å; F60-I64 HydrophobicContact CE1-CD1 3.59Å; F60-I64 HydrophobicContact CE1-CG1 4.3Å; F60-I64 HydrophobicContact CE2-CD1 4.38Å; F60-I64 HydrophobicContact CE2-CG1 4.23Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.13Å; F60-I64 WeakPolarHBondContact O-CG1 3.3Å; F60-I64 PolarHBondContact O-N 3.05Å; F60-I64 VanDerWaalsContact O-N 3.08Å; F60-H74 HydrophobicContact CB-CB 4.47Å; F60-H74 HydrophobicContact CD2-CB 3.59Å; F60-H74 HydrophobicContact CE2-CB 4.33Å; F60-H74 HydrophobicContact CG-CB 4.47Å; F60-I75 HydrophobicContact CD2-CG1 4.42Å; F60-I75 HydrophobicContact CE2-CD1 4.07Å; F60-I75 HydrophobicContact CE2-CG1 3.52Å; F60-I75 HydrophobicContact CZ-CD1 4.07Å; F60-I75 HydrophobicContact CZ-CG1 3.68Å; F60-I78 HydrophobicContact CB-CD1 3.6Å; F60-I78 HydrophobicContact CD1-CD1 3.84Å; F60-I78 HydrophobicContact CD2-CD1 4.12Å; F60-I78 HydrophobicContact CE1-CD1 4.49Å; F60-I78 HydrophobicContact CG-CD1 3.58Å; F60-L160 HydrophobicContact CD1-CD2 3.46Å; F60-L160 VanDerWaalsContact CD1-CD2 3.46Å; F60-L160 HydrophobicContact CE1-CD2 3.81Å; F60-L160 HydrophobicContact CG-CD2 4.46Å; F60-P161 HydrophobicContact CE1-CG 4.09Å
61N81.4Confident73.6Confident55 Ų5564.1 Ų64.129%0.29436%0.361SS..Hα-helixtrans-63.3-37.6179.6-73.5-19.2000112.8I57 N58 N159 P161I57-N61 PolarHBondContact O-N 3.21Å; N58-N61 PolarHBondContact O-N 3.23Å; N58-N61 VanDerWaalsContact O-N 3.16Å; N61-N159 PolarHBondContact ND2-O 3.31Å; N61-N159 PolarHBondContact OD1-O 2.81Å; N61-P161 WeakPolarHBondContact OD1-CD 3.3Å
62E81Confident72.8Confident134 Ų13465.8 Ų65.863%0.62637%0.372SS*.Hα-helixtrans-63.2-41.5173.5-72.9172.9-174.900111.5N58 F60 T65N58-E62 WeakPolarHBondContact O-CG 3.37Å; N58-E62 PolarHBondContact O-N 3.33Å; F60-E62 VanDerWaalsContact C-N 3.34Å; F60-E62 PolarHBondContact O-N 3.2Å; E62-T65 PolarHBondContact O-OG1 3.04Å
63Q70.2Confident72.3Confident46 Ų4666.7 Ų66.722%0.21538%0.377CS..Hα-helixtrans-78.6-21-176.2-73.3-155.19.800115.8H59 F60 T65 S66 H74H59-Q63 PolarHBondContact CE1-NE2 3.48Å; H59-Q63 PolarHBondContact NE2-NE2 3.47Å; H59-Q63 WeakPolarHBondContact O-CG 3.33Å; H59-Q63 PolarHBondContact O-N 2.85Å; H59-Q63 VanDerWaalsContact O-N 3.14Å; F60-Q63 PolarHBondContact O-N 2.88Å; F60-Q63 VanDerWaalsContact O-N 3.15Å; Q63-T65 PolarHBondContact O-N 2.99Å; Q63-S66 CarbonylContact O-C 3.6Å; Q63-S66 PolarHBondContact O-N 3.08Å; Q63-S66 VanDerWaalsContact O-O 3.14Å; Q63-H74 VanDerWaalsContact CD-NE2 3.26Å; Q63-H74 PolarHBondContact NE2-NE2 3.39Å; Q63-H74 PolarHBondContact OE1-CD2 3.37Å; Q63-H74 PolarHBondContact OE1-NE2 2.9Å
64I64.8Low71.6Confident87 Ų8767.3 Ų67.345%0.44638%0.38SS..THydrogen-bonded Turntrans-55.3-27.4174.6-71.7169.3000111.5F60 S66 P161F60-I64 HydrophobicContact CD1-CD1 3.95Å; F60-I64 HydrophobicContact CE1-CD1 3.59Å; F60-I64 HydrophobicContact CE1-CG1 4.3Å; F60-I64 HydrophobicContact CE2-CD1 4.38Å; F60-I64 HydrophobicContact CE2-CG1 4.23Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.13Å; F60-I64 WeakPolarHBondContact O-CG1 3.3Å; F60-I64 PolarHBondContact O-N 3.05Å; F60-I64 VanDerWaalsContact O-N 3.08Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-S66 PolarHBondContact O-N 2.88Å; I64-P161 HydrophobicContact CD1-CG 3.37Å
65T59.7Low71Confident126 Ų12666.4 Ų66.477%0.77337%0.373SS*.THydrogen-bonded Turntrans-73.7-17.7176.367.40000114E62 Q63E62-T65 PolarHBondContact O-OG1 3.04Å; Q63-T65 PolarHBondContact O-N 2.99Å
66S52.4Low70.7Confident65 Ų6563.7 Ų63.746%0.45536%0.36SS..SBendtrans-137.499.4-173.255.40000112.6Q63 I64Q63-S66 CarbonylContact O-C 3.6Å; Q63-S66 PolarHBondContact O-N 3.08Å; Q63-S66 VanDerWaalsContact O-O 3.14Å; I64-S66 VanDerWaalsContact C-N 3.3Å; I64-S66 PolarHBondContact O-N 2.88Å
67T53.9Low70.4Confident100 Ų10062.8 Ų62.861%0.61336%0.357SS*.  trans80.3136.3166.673.30000119.1
68S58Low70.3Confident104 Ų10462.9 Ų62.973%0.72736%0.357SS*.SBendtrans-82.8-34.6-166.851.90000115.8N70 S71S68-N70 PolarHBondContact O-N 3.38Å; S68-S71 WeakPolarHBondContact O-CB 3.46Å; S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 PolarHBondContact O-OG 3.46Å
69S56.1Low70.2Confident89 Ų8959.2 Ų59.262%0.62234%0.338SS*.Hα-helixtrans-71.7-29-175.758.10000113.5S71S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 3.03Å
70N58Low70.3Confident74 Ų7457.7 Ų57.740%0.39633%0.331SS..Hα-helixtrans-75-19.2178.8-68.3-17.8000112.5S68 L72 L73 H74S68-N70 PolarHBondContact O-N 3.38Å; N70-L72 PolarHBondContact O-N 3.14Å; N70-L73 PolarHBondContact O-N 3.03Å; N70-H74 PolarHBondContact O-CD2 3.42Å; N70-H74 PolarHBondContact O-N 3.46Å
71S66Low70.5Confident41 Ų4157.4 Ų57.429%0.28733%0.33SS..Hα-helixtrans-62.2-44.3-177.372.10000113S68 S69 L73 H74 I75S68-S71 WeakPolarHBondContact O-CB 3.46Å; S68-S71 PolarHBondContact O-N 3.26Å; S68-S71 PolarHBondContact O-OG 3.46Å; S69-S71 VanDerWaalsContact C-N 3.28Å; S69-S71 PolarHBondContact O-N 3.03Å; S71-L73 PolarHBondContact O-N 3.17Å; S71-H74 PolarHBondContact O-N 3.46Å; S71-I75 VanDerWaalsContact O-CG1 3.26Å; S71-I75 WeakPolarHBondContact O-CG1 3.29Å; S71-I75 PolarHBondContact O-N 3.35Å
72L70.7Confident70.9Confident115 Ų11554.8 Ų54.860%0.60232%0.316SS*.Hα-helixtrans-64.3-40.4-178.7-71.8171.6000112.3N70 I75 L76N70-L72 PolarHBondContact O-N 3.14Å; L72-I75 PolarHBondContact O-N 3.1Å; L72-L76 PolarHBondContact O-N 3.35Å
73L72.7Confident71.3Confident58 Ų5848.4 Ų48.430%0.30429%0.287SS..Hα-helixtrans-65.5-42.1178-170.6155.4000110.6N70 S71 I75 L76 I77 W337 F341N70-L73 PolarHBondContact O-N 3.03Å; S71-L73 PolarHBondContact O-N 3.17Å; L73-I75 VanDerWaalsContact C-N 3.35Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 3.23Å; L73-I77 HydrophobicContact CD2-CD1 3.48Å; L73-I77 VanDerWaalsContact CD2-CD1 3.48Å; L73-I77 HydrophobicContact CD2-CG1 4.18Å; L73-I77 WeakPolarHBondContact O-CG1 3.17Å; L73-I77 PolarHBondContact O-N 3.36Å; L73-W337 HydrophobicContact CD1-CH2 4.47Å; L73-W337 HydrophobicContact CD1-CZ2 3.99Å; L73-W337 HydrophobicContact CD2-CH2 4.13Å; L73-W337 HydrophobicContact CD2-CZ2 4.3Å; L73-W337 HydrophobicContact CG-CH2 4.07Å; L73-W337 HydrophobicContact CG-CZ2 4.11Å; L73-F341 HydrophobicContact CD1-CZ 4.15Å; L73-F341 HydrophobicContact CD2-CE1 3.64Å; L73-F341 HydrophobicContact CD2-CZ 3.95Å
74H71.6Confident72.1Confident13 Ų1346.5 Ų46.56%0.0628%0.278CS..Hα-helixtrans-64.6-39175.4-79.4-59000112.9H59 F60 Q63 N70 S71 I77 I78H59-H74 AromaticContact CE1-CE1 3.15Å; H59-H74 PolarHBondContact CE1-CE1 3.24Å; H59-H74 AromaticContact CE1-NE2 3.51Å; H59-H74 AromaticContact ND1-CE1 3.15Å; H59-H74 PolarHBondContact ND1-CE1 3.15Å; H59-H74 AromaticContact ND1-ND1 3.56Å; H59-H74 AromaticContact ND1-NE2 3.73Å; F60-H74 HydrophobicContact CB-CB 4.47Å; F60-H74 HydrophobicContact CD2-CB 3.59Å; F60-H74 HydrophobicContact CE2-CB 4.33Å; F60-H74 HydrophobicContact CG-CB 4.47Å; Q63-H74 VanDerWaalsContact CD-NE2 3.26Å; Q63-H74 PolarHBondContact NE2-NE2 3.39Å; Q63-H74 PolarHBondContact OE1-CD2 3.37Å; Q63-H74 PolarHBondContact OE1-NE2 2.9Å; N70-H74 PolarHBondContact O-CD2 3.42Å; N70-H74 PolarHBondContact O-N 3.46Å; S71-H74 PolarHBondContact O-N 3.46Å; H74-I77 PolarHBondContact O-N 3.01Å; H74-I78 WeakPolarHBondContact O-CG1 3.49Å; H74-I78 PolarHBondContact O-N 3.4Å
75I76.8Confident73.4Confident17 Ų1742.5 Ų42.59%0.08726%0.257CS..Hα-helixtrans-62.8-43.9174.2-66.4163.4000110.6F60 S71 L72 L73 I77 I78 L79 Y108F60-I75 HydrophobicContact CD2-CG1 4.42Å; F60-I75 HydrophobicContact CE2-CD1 4.07Å; F60-I75 HydrophobicContact CE2-CG1 3.52Å; F60-I75 HydrophobicContact CZ-CD1 4.07Å; F60-I75 HydrophobicContact CZ-CG1 3.68Å; S71-I75 VanDerWaalsContact O-CG1 3.26Å; S71-I75 WeakPolarHBondContact O-CG1 3.29Å; S71-I75 PolarHBondContact O-N 3.35Å; L72-I75 PolarHBondContact O-N 3.1Å; L73-I75 VanDerWaalsContact C-N 3.35Å; I75-I77 VanDerWaalsContact C-N 3.29Å; I75-I77 PolarHBondContact O-N 2.9Å; I75-I78 PolarHBondContact O-N 2.83Å; I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 WeakPolarHBondContact O-CB 3.31Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.26Å; I75-L79 PolarHBondContact O-N 2.87Å; I75-Y108 HydrophobicContact CD1-CD1 4.41Å; I75-Y108 HydrophobicContact CD1-CE1 3.75Å; I75-Y108 HydrophobicContact CG2-CD1 3.65Å; I75-Y108 HydrophobicContact CG2-CD2 3.68Å; I75-Y108 HydrophobicContact CG2-CE1 3.75Å; I75-Y108 HydrophobicContact CG2-CE2 3.79Å; I75-Y108 HydrophobicContact CG2-CG 3.61Å
76L76.3Confident74.9Confident47 Ų4736.5 Ų36.525%0.24622%0.221CC..Hα-helixtrans-58.6-39.9174.6-179.865.6000112.3L72 L73 L79 C80 L109L72-L76 PolarHBondContact O-N 3.35Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 3.23Å; L76-L79 WeakPolarHBondContact O-CB 3.18Å; L76-L79 PolarHBondContact O-N 3.48Å; L76-C80 PolarHBondContact O-N 3.12Å; L76-C80 PolarHBondContact O-SG 3.03Å; L76-C80 VanDerWaalsContact O-SG 3.38Å; L76-L109 HydrophobicContact CD1-CD2 3.41Å; L76-L109 VanDerWaalsContact CD1-CD2 3.41Å
77I76.8Confident76.7Confident10 Ų1033.4 Ų33.45%0.05120%0.199CC..Hα-helixtrans-64.6-47.6175.3-68.2171.1000110.5Y56 L73 H74 I75 L79 C80 Q81 W337 F341Y56-I77 HydrophobicContact CD1-CG2 3.51Å; Y56-I77 HydrophobicContact CE1-CG2 3.63Å; Y56-I77 HydrophobicContact CG-CG2 4.06Å; L73-I77 HydrophobicContact CD2-CD1 3.48Å; L73-I77 VanDerWaalsContact CD2-CD1 3.48Å; L73-I77 HydrophobicContact CD2-CG1 4.18Å; L73-I77 WeakPolarHBondContact O-CG1 3.17Å; L73-I77 PolarHBondContact O-N 3.36Å; H74-I77 PolarHBondContact O-N 3.01Å; I75-I77 VanDerWaalsContact C-N 3.29Å; I75-I77 PolarHBondContact O-N 2.9Å; I77-L79 VanDerWaalsContact C-N 3.27Å; I77-L79 PolarHBondContact O-N 2.96Å; I77-C80 PolarHBondContact O-N 3.48Å; I77-Q81 HydrophobicContact CG2-CG 4.32Å; I77-Q81 WeakPolarHBondContact O-CG 3.49Å; I77-Q81 PolarHBondContact O-N 3.02Å; I77-W337 HydrophobicContact CG1-CH2 4.27Å; I77-W337 HydrophobicContact CG1-CZ3 4.37Å; I77-F341 HydrophobicContact CD1-CD1 3.8Å; I77-F341 HydrophobicContact CD1-CE1 4.07Å
78I82.1Confident78.2Confident3 Ų329 Ų292%0.01517%0.172CC..Hα-helixtrans-57.2-43.4177.5-71.8162.2000110.6F53 F60 H74 I75 Q81 L82 L160F53-I78 HydrophobicContact CE2-CG2 4.03Å; F53-I78 HydrophobicContact CZ-CG2 4.35Å; F60-I78 HydrophobicContact CB-CD1 3.6Å; F60-I78 HydrophobicContact CD1-CD1 3.84Å; F60-I78 HydrophobicContact CD2-CD1 4.12Å; F60-I78 HydrophobicContact CE1-CD1 4.49Å; F60-I78 HydrophobicContact CG-CD1 3.58Å; H74-I78 WeakPolarHBondContact O-CG1 3.49Å; H74-I78 PolarHBondContact O-N 3.4Å; I75-I78 PolarHBondContact O-N 2.83Å; I78-Q81 PolarHBondContact O-N 3.39Å; I78-L82 VanDerWaalsContact O-CB 3.28Å; I78-L82 WeakPolarHBondContact O-CB 3Å; I78-L82 PolarHBondContact O-N 3.15Å; I78-L160 HydrophobicContact CD1-CD2 3.76Å; I78-L160 HydrophobicContact CG2-CD1 3.84Å
79L83.4Confident79.5Confident1 Ų124.1 Ų24.11%0.00514%0.138CC..Hα-helixtrans-59.2-47.9176.3-76.3167.2000112.8I75 L76 I77 Q81 L82 T83 F104 Y108 L109I75-L79 HydrophobicContact CG2-CD1 3.94Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 WeakPolarHBondContact O-CB 3.31Å; I75-L79 VanDerWaalsContact O-CG 3.26Å; I75-L79 WeakPolarHBondContact O-CG 3.26Å; I75-L79 PolarHBondContact O-N 2.87Å; L76-L79 WeakPolarHBondContact O-CB 3.18Å; L76-L79 PolarHBondContact O-N 3.48Å; I77-L79 VanDerWaalsContact C-N 3.27Å; I77-L79 PolarHBondContact O-N 2.96Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 2.99Å; L79-L82 PolarHBondContact O-N 2.86Å; L79-T83 WeakPolarHBondContact O-CB 3.29Å; L79-T83 PolarHBondContact O-N 3.32Å; L79-T83 PolarHBondContact O-OG1 3.45Å; L79-F104 HydrophobicContact CD2-CB 3.25Å; L79-F104 HydrophobicContact CD2-CD1 3.22Å; L79-F104 HydrophobicContact CD2-CD2 4.35Å; L79-F104 HydrophobicContact CD2-CE1 4.06Å; L79-F104 HydrophobicContact CD2-CG 3.36Å; L79-F104 HydrophobicContact CG-CD1 4.01Å; L79-Y108 HydrophobicContact CD1-CD2 4.06Å; L79-Y108 HydrophobicContact CD1-CG 4.08Å; L79-L109 HydrophobicContact CD1-CD1 4.36Å; L79-L109 HydrophobicContact CD1-CD2 4.29Å; L79-L109 HydrophobicContact CD1-CG 4.12Å
80C83Confident80.9Confident9 Ų920 Ų206%0.06111%0.109CC..Hα-helixtrans-61.5-42.6176.4-74.60000111.4L76 I77 T83 N84L76-C80 PolarHBondContact O-N 3.12Å; L76-C80 PolarHBondContact O-SG 3.03Å; L76-C80 VanDerWaalsContact O-SG 3.38Å; I77-C80 PolarHBondContact O-N 3.48Å; C80-T83 PolarHBondContact O-N 2.95Å; C80-N84 WeakPolarHBondContact O-CB 3.22Å; C80-N84 PolarHBondContact O-N 3.27Å
81Q85.5Confident82.4Confident11 Ų1116.9 Ų16.95%0.0519%0.092CC..Hα-helixtrans-69.2-38.5177.9-64.1-56.4-27.200112.4F53 Y56 I77 I78 L79 N84 L85F53-Q81 HydrophobicContact CD2-CB 3.72Å; F53-Q81 HydrophobicContact CE2-CB 4.18Å; Y56-Q81 HydrophobicContact CD2-CG 3.74Å; Y56-Q81 HydrophobicContact CE2-CG 3.91Å; Y56-Q81 HydrophobicContact CG-CG 4.42Å; I77-Q81 HydrophobicContact CG2-CG 4.32Å; I77-Q81 WeakPolarHBondContact O-CG 3.49Å; I77-Q81 PolarHBondContact O-N 3.02Å; I78-Q81 PolarHBondContact O-N 3.39Å; L79-Q81 VanDerWaalsContact C-N 3.34Å; L79-Q81 PolarHBondContact O-N 2.99Å; Q81-N84 WeakPolarHBondContact O-CB 3.32Å; Q81-N84 PolarHBondContact O-N 2.79Å; Q81-L85 WeakPolarHBondContact O-CG 3.16Å; Q81-L85 PolarHBondContact O-N 3.44Å
82L90.4Very high83.5Confident0 Ų017.6 Ų17.60%09%0.093CC..Hα-helixtrans-62.9-45.9174.8179.959.9000111.1F53 I78 L79 N84 L85 I86 L100 L101 F104 I153 I157F53-L82 HydrophobicContact CE2-CB 4.15Å; F53-L82 HydrophobicContact CZ-CB 4.29Å; F53-L82 HydrophobicContact CZ-CD1 4.2Å; I78-L82 VanDerWaalsContact O-CB 3.28Å; I78-L82 WeakPolarHBondContact O-CB 3Å; I78-L82 PolarHBondContact O-N 3.15Å; L79-L82 PolarHBondContact O-N 2.86Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 2.88Å; L82-L85 PolarHBondContact O-N 2.98Å; L82-I86 HydrophobicContact CD1-CD1 3.65Å; L82-I86 HydrophobicContact CD1-CG1 4.32Å; L82-I86 HydrophobicContact CG-CD1 3.85Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 3.13Å; L82-I86 VanDerWaalsContact O-N 3.09Å; L82-L100 HydrophobicContact CD1-CD2 4.1Å; L82-L100 HydrophobicContact CD2-CD2 3.97Å; L82-L100 HydrophobicContact CD2-CG 4.13Å; L82-L101 HydrophobicContact CD2-CD2 4.16Å; L82-L101 HydrophobicContact CG-CD2 4.04Å; L82-F104 HydrophobicContact CD2-CD2 3.56Å; L82-F104 HydrophobicContact CD2-CE2 3.52Å; L82-F104 HydrophobicContact CD2-CG 4.44Å; L82-F104 HydrophobicContact CD2-CZ 4.34Å; L82-I153 HydrophobicContact CD1-CG2 3.52Å; L82-I157 HydrophobicContact CD1-CD1 4.01Å; L82-I157 HydrophobicContact CD1-CG1 4.45Å; L82-I157 HydrophobicContact CD2-CD1 4.07Å
83T88.2Confident84.5Confident1 Ų112.7 Ų12.71%0.0067%0.067CC..Hα-helixtrans-61-39.6175.9-53.20000110.9L79 C80 I86 L87 I117 F121L79-T83 WeakPolarHBondContact O-CB 3.29Å; L79-T83 PolarHBondContact O-N 3.32Å; L79-T83 PolarHBondContact O-OG1 3.45Å; C80-T83 PolarHBondContact O-N 2.95Å; T83-I86 PolarHBondContact O-N 2.98Å; T83-L87 HydrophobicContact CG2-CB 4.45Å; T83-L87 HydrophobicContact CG2-CD1 3.48Å; T83-L87 VanDerWaalsContact CG2-CD1 3.48Å; T83-L87 HydrophobicContact CG2-CG 3.97Å; T83-L87 WeakPolarHBondContact O-CB 3.28Å; T83-L87 PolarHBondContact O-N 3.48Å; T83-I117 HydrophobicContact CG2-CG2 3.95Å; T83-F121 HydrophobicContact CG2-CD2 3.73Å; T83-F121 HydrophobicContact CG2-CE2 3.61Å
84N88.5Confident85.5Confident6 Ų610.5 Ų10.53%0.0326%0.057CC..Hα-helixtrans-61-44.4174.6-177.330000112.6W45 C80 Q81 L82 I86 C88 F121W45-N84 PolarHBondContact NE1-OD1 3.08Å; C80-N84 WeakPolarHBondContact O-CB 3.22Å; C80-N84 PolarHBondContact O-N 3.27Å; Q81-N84 WeakPolarHBondContact O-CB 3.32Å; Q81-N84 PolarHBondContact O-N 2.79Å; L82-N84 VanDerWaalsContact C-N 3.27Å; L82-N84 PolarHBondContact O-N 2.88Å; N84-I86 VanDerWaalsContact C-N 3.32Å; N84-I86 PolarHBondContact O-N 2.82Å; N84-C88 WeakPolarHBondContact O-CB 3.22Å; N84-C88 PolarHBondContact O-N 3.46Å; N84-F121 HydrophobicContact CB-CE1 3.69Å; N84-F121 HydrophobicContact CB-CZ 3.67Å; N84-F121 WeakPolarHBondContact OD1-CE1 3.29Å
85L91.1Very high86.4Confident2 Ų213 Ų131%0.017%0.07CC..Hα-helixtrans-64.7-36.1178.3-70.1172.5000112.9T46 A49 I50 F53 Q81 L82 I153T46-L85 HydrophobicContact CG2-CD2 4.23Å; T46-L85 PolarHBondContact OG1-O 2.69Å; A49-L85 HydrophobicContact CB-CD2 3.59Å; I50-L85 HydrophobicContact CD1-CD1 4.14Å; F53-L85 HydrophobicContact CB-CD1 3.73Å; F53-L85 HydrophobicContact CD1-CD1 3.66Å; F53-L85 HydrophobicContact CD2-CD1 3.99Å; F53-L85 HydrophobicContact CE1-CD1 4.22Å; F53-L85 HydrophobicContact CG-CD1 3.52Å; Q81-L85 WeakPolarHBondContact O-CG 3.16Å; Q81-L85 PolarHBondContact O-N 3.44Å; L82-L85 PolarHBondContact O-N 2.98Å; L85-I153 HydrophobicContact CB-CD1 4.05Å; L85-I153 HydrophobicContact CB-CG1 4.35Å; L85-I153 HydrophobicContact CD1-CG1 4.34Å
86I92.4Very high87Confident0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-87.1-42.6-173.9-65.1168.4000112L82 T83 N84 C90 I93 M97 L101 I153L82-I86 HydrophobicContact CD1-CD1 3.65Å; L82-I86 HydrophobicContact CD1-CG1 4.32Å; L82-I86 HydrophobicContact CG-CD1 3.85Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 3.13Å; L82-I86 VanDerWaalsContact O-N 3.09Å; T83-I86 PolarHBondContact O-N 2.98Å; N84-I86 VanDerWaalsContact C-N 3.32Å; N84-I86 PolarHBondContact O-N 2.82Å; I86-C90 PolarHBondContact O-SG 3.4Å; I86-I93 HydrophobicContact CG2-CG2 4.07Å; I86-M97 HydrophobicContact CD1-CB 4.06Å; I86-M97 HydrophobicContact CD1-CG 4.46Å; I86-M97 HydrophobicContact CD1-SD 4.08Å; I86-M97 HydrophobicContact CG1-CB 4.31Å; I86-M97 HydrophobicContact CG1-CG 4.41Å; I86-M97 HydrophobicContact CG1-SD 4.2Å; I86-M97 HydrophobicContact CG2-CB 3.76Å; I86-M97 HydrophobicContact CG2-CG 4.38Å; I86-L101 HydrophobicContact CB-CD1 4.27Å; I86-L101 HydrophobicContact CD1-CD1 4.06Å; I86-L101 HydrophobicContact CD1-CD2 3.95Å; I86-L101 HydrophobicContact CD1-CG 3.8Å; I86-L101 HydrophobicContact CG2-CD1 3.91Å; I86-I153 HydrophobicContact CG1-CD1 3.96Å
87L90Very high87.8Confident0 Ų011.6 Ų11.60%06%0.06CC..Hα-helixtrans-100.4-20.5-168.6-60.6-171.1000114.4T83 G89 C90 I93 L101 L118 F121 W123T83-L87 HydrophobicContact CG2-CB 4.45Å; T83-L87 HydrophobicContact CG2-CD1 3.48Å; T83-L87 VanDerWaalsContact CG2-CD1 3.48Å; T83-L87 HydrophobicContact CG2-CG 3.97Å; T83-L87 WeakPolarHBondContact O-CB 3.28Å; T83-L87 PolarHBondContact O-N 3.48Å; L87-G89 PolarHBondContact O-N 3.34Å; L87-G89 VanDerWaalsContact O-N 3.15Å; L87-C90 PolarHBondContact O-N 2.88Å; L87-C90 VanDerWaalsContact O-N 3.13Å; L87-I93 HydrophobicContact CD2-CD1 3.46Å; L87-I93 VanDerWaalsContact CD2-CD1 3.46Å; L87-I93 HydrophobicContact CD2-CG1 3.6Å; L87-I93 HydrophobicContact CD2-CG2 4.48Å; L87-L101 HydrophobicContact CD2-CD1 4.33Å; L87-L101 HydrophobicContact CG-CD1 4.35Å; L87-L118 HydrophobicContact CD1-CD2 3.44Å; L87-L118 VanDerWaalsContact CD1-CD2 3.44Å; L87-F121 HydrophobicContact CB-CB 4.25Å; L87-F121 HydrophobicContact CB-CG 4.46Å; L87-W123 HydrophobicContact CD1-CG 4.28Å; L87-W123 HydrophobicContact CD2-CD2 4.4Å; L87-W123 HydrophobicContact CD2-CZ2 4.11Å; L87-W123 PolarHBondContact O-NE1 3.45Å
88C85.4Confident88.6Confident7 Ų713.5 Ų13.55%0.0477%0.068CC..THydrogen-bonded Turntrans-64.1119.9-175.1-171.40000111.7M13 N84 C90 F121M13-C88 PolarHBondContact SD-SG 2.86Å; N84-C88 WeakPolarHBondContact O-CB 3.22Å; N84-C88 PolarHBondContact O-N 3.46Å; C88-C90 PolarHBondContact O-N 3.42Å; C88-C90 VanDerWaalsContact O-N 3.13Å; C88-F121 HydrophobicContact CB-CD1 4.46Å
89G83.9Confident88.9Confident2 Ų217.2 Ų17.22%0.0218%0.084CC..THydrogen-bonded Turntrans67.64.6-178.800000115.2L87 N143L87-G89 PolarHBondContact O-N 3.34Å; L87-G89 VanDerWaalsContact O-N 3.15Å; G89-N143 VanDerWaalsContact O-CB 3.28Å; G89-N143 WeakPolarHBondContact O-CB 3.49Å; G89-N143 PolarHBondContact O-ND2 2.85Å; G89-N143 VanDerWaalsContact O-ND2 3.13Å
90C87.4Confident89.2Confident2 Ų217.1 Ų17.11%0.0148%0.084CC..  trans-84.8151.1174.5-71.70000111.1R36 I86 L87 C88 W123R36-C90 PolarHBondContact NE-SG 3.46Å; I86-C90 PolarHBondContact O-SG 3.4Å; L87-C90 PolarHBondContact O-N 2.88Å; L87-C90 VanDerWaalsContact O-N 3.13Å; C88-C90 PolarHBondContact O-N 3.42Å; C88-C90 VanDerWaalsContact O-N 3.13Å; C90-W123 HydrophobicContact CB-CZ2 4.21Å; C90-W123 VanDerWaalsContact O-CZ2 3.29Å; C90-W123 WeakPolarHBondContact O-CZ2 3.14Å
91H88Confident89.6Confident9 Ų916.7 Ų16.74%0.0428%0.081CC..SBendtrans-115-20.6171.6-58.586.4000111.9W123 Y132 M133 Q139 L142 N143H91-W123 WeakPolarHBondContact O-CH2 3.03Å; H91-Y132 CarbonylContact O-C 3.38Å; H91-Y132 WeakPolarHBondContact O-CA 3.33Å; H91-M133 PolarHBondContact O-N 3.39Å; H91-Q139 PolarHBondContact CE1-OE1 2.73Å; H91-Q139 PolarHBondContact NE2-OE1 3.3Å; H91-L142 HydrophobicContact CB-CB 4.43Å; H91-L142 HydrophobicContact CB-CD2 4.02Å; H91-N143 PolarHBondContact N-O 3.47Å
92L90Very high89.8Confident56 Ų5618.9 Ų18.929%0.2939%0.093SC..BIsolated β-bridgetrans-125.4147.6175.5-90.671.8000110.1L142 N143 I144L92-L142 HydrophobicContact CD1-CB 3.92Å; L92-L142 HydrophobicContact CD1-CD1 3.71Å; L92-L142 HydrophobicContact CD1-CG 4.26Å; L92-N143 PolarHBondContact N-O 3.26Å; L92-I144 HydrophobicContact CB-CB 4.17Å; L92-I144 HydrophobicContact CB-CD1 4.03Å; L92-I144 HydrophobicContact CB-CG1 3.98Å; L92-I144 HydrophobicContact CD2-CD1 4.48Å
93I92.1Very high89.5Confident13 Ų1323 Ų237%0.06711%0.109CC..  trans-111121.6175.2-45.6174.4000108.5I86 L87 M97 K98 W123 Y128 G131I86-I93 HydrophobicContact CG2-CG2 4.07Å; L87-I93 HydrophobicContact CD2-CD1 3.46Å; L87-I93 VanDerWaalsContact CD2-CD1 3.46Å; L87-I93 HydrophobicContact CD2-CG1 3.6Å; L87-I93 HydrophobicContact CD2-CG2 4.48Å; I93-M97 HydrophobicContact CG2-CB 4.21Å; I93-K98 HydrophobicContact CB-CB 4.48Å; I93-K98 HydrophobicContact CG2-CB 3.8Å; I93-W123 HydrophobicContact CD1-CE3 4.17Å; I93-W123 HydrophobicContact CD1-CH2 3.86Å; I93-W123 HydrophobicContact CD1-CZ3 3.66Å; I93-W123 HydrophobicContact CG1-CH2 3.42Å; I93-W123 VanDerWaalsContact CG1-CH2 3.42Å; I93-W123 HydrophobicContact CG1-CZ2 4.04Å; I93-W123 HydrophobicContact CG1-CZ3 3.76Å; I93-Y128 HydrophobicContact CD1-CD2 3.48Å; I93-Y128 VanDerWaalsContact CD1-CD2 3.48Å; I93-Y128 HydrophobicContact CD1-CE2 3.77Å; I93-Y128 HydrophobicContact CD1-CG 4.42Å; I93-G131 PolarHBondContact N-O 2.86Å
94P92.9Very high89.2Confident12 Ų1223.2 Ų23.28%0.07811%0.11CC..  trans-58.6144.5169.1-21.832.1000111.3R96 M97 K98 I144 C145 E150P94-R96 VanDerWaalsContact C-N 3.27Å; P94-R96 PolarHBondContact O-N 3.09Å; P94-M97 HydrophobicContact CB-CB 4.43Å; P94-M97 HydrophobicContact CB-CG 4.24Å; P94-M97 HydrophobicContact CG-CG 4.24Å; P94-M97 PolarHBondContact O-N 3.42Å; P94-K98 PolarHBondContact O-N 3.36Å; P94-I144 HydrophobicContact CG-CD1 4Å; P94-I144 HydrophobicContact CG-CG1 3.76Å; P94-C145 HydrophobicContact CG-CB 3.82Å; P94-C145 WeakPolarHBondContact CG-O 3.44Å; P94-E150 HydrophobicContact CG-CG 4.3Å
95I89.7Confident88.9Confident66 Ų6623.4 Ų23.434%0.33811%0.111SC..Hα-helixtrans-56.6-42.2-176.9-61.3168.9000111.3M97 K98 F99 T408I95-M97 VanDerWaalsContact C-N 3.34Å; I95-M97 PolarHBondContact O-N 3.29Å; I95-K98 PolarHBondContact O-N 2.89Å; I95-F99 WeakPolarHBondContact O-CB 3Å; I95-F99 PolarHBondContact O-N 3.28Å; I95-T408 HydrophobicContact CB-CG2 4.5Å; I95-T408 HydrophobicContact CD1-CG2 4.49Å; I95-T408 HydrophobicContact CG2-CG2 4.1Å
96R90.7Very high88.4Confident33 Ų3330.9 Ų30.913%0.12515%0.145CC..Hα-helixtrans-60.2-43.4178.1-67174.8-73-1034.9112.2P94 L100 E150 L170 T173 D177P94-R96 VanDerWaalsContact C-N 3.27Å; P94-R96 PolarHBondContact O-N 3.09Å; R96-L100 PolarHBondContact O-N 2.77Å; R96-L100 VanDerWaalsContact O-N 3.08Å; R96-E150 WeakPolarHBondContact CB-OE2 3.48Å; R96-E150 IonicContact CZ-OE1 3.62Å; R96-E150 IonicContact CZ-OE2 2.83Å; R96-E150 IonicContact NE-OE1 2.66Å; R96-E150 IonicContact NE-OE2 3.7Å; R96-E150 PolarHBondContact NE-OE2 3.48Å; R96-E150 IonicContact NH2-OE1 3.86Å; R96-E150 PolarHBondContact NH2-OE1 3.37Å; R96-E150 IonicContact NH2-OE2 3.72Å; R96-E150 PolarHBondContact NH2-OE2 3.46Å; R96-L170 HydrophobicContact CB-CD2 4.37Å; R96-L170 HydrophobicContact CG-CD2 4.3Å; R96-T173 WeakPolarHBondContact CD-OG1 3.32Å; R96-D177 IonicContact CZ-OD2 3.27Å; R96-D177 IonicContact NH1-OD2 2.96Å; R96-D177 PolarHBondContact NH1-OD2 2.71Å; R96-D177 IonicContact NH2-OD2 3.4Å
97M93.5Very high87.7Confident0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-71.8-37178.6-63.8-57.298.200111.7I86 I93 P94 I95 L100 L101 E150 I153 L154I86-M97 HydrophobicContact CD1-CB 4.06Å; I86-M97 HydrophobicContact CD1-CG 4.46Å; I86-M97 HydrophobicContact CD1-SD 4.08Å; I86-M97 HydrophobicContact CG1-CB 4.31Å; I86-M97 HydrophobicContact CG1-CG 4.41Å; I86-M97 HydrophobicContact CG1-SD 4.2Å; I86-M97 HydrophobicContact CG2-CB 3.76Å; I86-M97 HydrophobicContact CG2-CG 4.38Å; I93-M97 HydrophobicContact CG2-CB 4.21Å; P94-M97 HydrophobicContact CB-CB 4.43Å; P94-M97 HydrophobicContact CB-CG 4.24Å; P94-M97 HydrophobicContact CG-CG 4.24Å; P94-M97 PolarHBondContact O-N 3.42Å; I95-M97 VanDerWaalsContact C-N 3.34Å; I95-M97 PolarHBondContact O-N 3.29Å; M97-L100 PolarHBondContact O-N 3.17Å; M97-L101 WeakPolarHBondContact O-CG 3.23Å; M97-L101 PolarHBondContact O-N 3.42Å; M97-E150 HydrophobicContact CE-CB 3.87Å; M97-E150 HydrophobicContact CE-CG 4.01Å; M97-E150 HydrophobicContact CG-CG 3.76Å; M97-E150 HydrophobicContact SD-CB 4.25Å; M97-E150 HydrophobicContact SD-CG 4.07Å; M97-I153 HydrophobicContact SD-CD1 4.37Å; M97-I153 HydrophobicContact SD-CG2 4.38Å; M97-L154 HydrophobicContact CE-CD1 3.87Å; M97-L154 HydrophobicContact CE-CD2 4.09Å; M97-L154 HydrophobicContact CE-CG 3.84Å
98K92Very high87.1Confident50 Ų5038.8 Ų38.822%0.21718%0.181CC..Hα-helixtrans-62.8-45.8173.6-172.5179.4179.3-64.20111.1I93 P94 I95 L100 L101 D102 Y128I93-K98 HydrophobicContact CB-CB 4.48Å; I93-K98 HydrophobicContact CG2-CB 3.8Å; P94-K98 PolarHBondContact O-N 3.36Å; I95-K98 PolarHBondContact O-N 2.89Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 2.87Å; K98-L101 PolarHBondContact O-N 3.44Å; K98-D102 IonicContact NZ-OD1 3.85Å; K98-D102 IonicContact NZ-OD2 2.69Å; K98-D102 PolarHBondContact NZ-OD2 3.3Å; K98-D102 WeakPolarHBondContact O-CB 3.36Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 2.84Å; K98-Y128 WeakPolarHBondContact CE-O 3.24Å
99F89.5Confident86.7Confident81 Ų8139.4 Ų39.436%0.35518%0.184SC..Hα-helixtrans-56.6-47.1175.4-178.3-83.3000111.3I95 L101 D102 Y103 L166 L170I95-F99 WeakPolarHBondContact O-CB 3Å; I95-F99 PolarHBondContact O-N 3.28Å; F99-L101 PolarHBondContact O-N 3.24Å; F99-D102 PolarHBondContact O-N 3.1Å; F99-Y103 WeakPolarHBondContact O-CB 3.29Å; F99-Y103 PolarHBondContact O-N 3.38Å; F99-L166 HydrophobicContact CD1-CD1 4.18Å; F99-L166 HydrophobicContact CE1-CD1 3.45Å; F99-L166 VanDerWaalsContact CE1-CD1 3.45Å; F99-L166 HydrophobicContact CE1-CD2 4.14Å; F99-L166 HydrophobicContact CE1-CG 4.39Å; F99-L166 HydrophobicContact CZ-CD1 4.32Å; F99-L170 HydrophobicContact CD1-CD1 4.44Å
100L90.3Very high86.5Confident0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-60.1-46.9178-178.666.5000111.6L82 R96 M97 K98 F104 L154 I157 L166L82-L100 HydrophobicContact CD1-CD2 4.1Å; L82-L100 HydrophobicContact CD2-CD2 3.97Å; L82-L100 HydrophobicContact CD2-CG 4.13Å; R96-L100 PolarHBondContact O-N 2.77Å; R96-L100 VanDerWaalsContact O-N 3.08Å; M97-L100 PolarHBondContact O-N 3.17Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 2.87Å; L100-F104 HydrophobicContact CD1-CD2 3.97Å; L100-F104 HydrophobicContact CD1-CE2 3.9Å; L100-F104 HydrophobicContact CG-CD2 4.12Å; L100-F104 HydrophobicContact CG-CE2 4.28Å; L100-F104 WeakPolarHBondContact O-CB 3.48Å; L100-F104 WeakPolarHBondContact O-CD2 3.38Å; L100-F104 PolarHBondContact O-N 3.4Å; L100-L154 HydrophobicContact CD2-CD2 4.21Å; L100-I157 HydrophobicContact CD1-CG2 4.24Å; L100-I157 HydrophobicContact CD2-CD1 4.41Å; L100-I157 HydrophobicContact CD2-CG1 4.05Å; L100-L166 HydrophobicContact CD1-CD2 4.17Å
101L90.8Very high86.2Confident0 Ų047.7 Ų47.70%023%0.226CC..Hα-helixtrans-63-46.5176.7-73177.1000111.7L82 I86 L87 M97 K98 F99 Y103 F104 N105 Y128L82-L101 HydrophobicContact CD2-CD2 4.16Å; L82-L101 HydrophobicContact CG-CD2 4.04Å; I86-L101 HydrophobicContact CB-CD1 4.27Å; I86-L101 HydrophobicContact CD1-CD1 4.06Å; I86-L101 HydrophobicContact CD1-CD2 3.95Å; I86-L101 HydrophobicContact CD1-CG 3.8Å; I86-L101 HydrophobicContact CG2-CD1 3.91Å; L87-L101 HydrophobicContact CD2-CD1 4.33Å; L87-L101 HydrophobicContact CG-CD1 4.35Å; M97-L101 WeakPolarHBondContact O-CG 3.23Å; M97-L101 PolarHBondContact O-N 3.42Å; K98-L101 PolarHBondContact O-N 3.44Å; F99-L101 PolarHBondContact O-N 3.24Å; L101-Y103 PolarHBondContact O-N 2.94Å; L101-F104 WeakPolarHBondContact O-CB 3.38Å; L101-F104 PolarHBondContact O-N 3.44Å; L101-N105 WeakPolarHBondContact O-CB 3.29Å; L101-N105 PolarHBondContact O-N 3Å; L101-N105 PolarHBondContact O-ND2 3.33Å; L101-Y128 HydrophobicContact CB-CE2 4.45Å; L101-Y128 VanDerWaalsContact CB-OH 3.29Å; L101-Y128 WeakPolarHBondContact CB-OH 3.11Å; L101-Y128 HydrophobicContact CD1-CE2 4.06Å
102D89.8Confident85.8Confident56 Ų5652.2 Ų52.230%0.29924%0.243SC..Hα-helixtrans-56.6-47.5178.6-74.5-19.8000111.5K98 F99 F104 N105 E106 Y128K98-D102 IonicContact NZ-OD1 3.85Å; K98-D102 IonicContact NZ-OD2 2.69Å; K98-D102 PolarHBondContact NZ-OD2 3.3Å; K98-D102 WeakPolarHBondContact O-CB 3.36Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 2.84Å; F99-D102 PolarHBondContact O-N 3.1Å; D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.24Å; D102-N105 PolarHBondContact O-N 2.98Å; D102-E106 WeakPolarHBondContact O-CB 3.35Å; D102-E106 PolarHBondContact O-N 3.47Å; D102-Y128 PolarHBondContact N-OH 3.16Å; D102-Y128 WeakPolarHBondContact OD1-CE1 3.27Å; D102-Y128 VanDerWaalsContact OD1-CZ 3.23Å; D102-Y128 PolarHBondContact OD1-OH 3.17Å
103Y83.8Confident85.3Confident88 Ų8852.7 Ų52.735%0.34524%0.244SC..Hα-helixtrans-55.7-47.3176.8178.7-94.9000112F99 L101 I107 L163 L166F99-Y103 WeakPolarHBondContact O-CB 3.29Å; F99-Y103 PolarHBondContact O-N 3.38Å; L101-Y103 PolarHBondContact O-N 2.94Å; Y103-I107 HydrophobicContact CD1-CD1 3.92Å; Y103-I107 HydrophobicContact CD2-CD1 4.23Å; Y103-I107 HydrophobicContact CE1-CD1 3.42Å; Y103-I107 VanDerWaalsContact CE1-CD1 3.42Å; Y103-I107 HydrophobicContact CE2-CD1 3.79Å; Y103-I107 HydrophobicContact CG-CD1 4.29Å; Y103-I107 WeakPolarHBondContact O-CD1 3.29Å; Y103-I107 VanDerWaalsContact O-CG1 3.29Å; Y103-I107 WeakPolarHBondContact O-CG1 3.27Å; Y103-I107 PolarHBondContact O-N 2.94Å; Y103-L163 HydrophobicContact CD1-CD2 3.74Å; Y103-L163 HydrophobicContact CE1-CD2 3.39Å; Y103-L166 HydrophobicContact CD1-CD2 4.05Å; Y103-L166 HydrophobicContact CE1-CD2 4.42Å; Y103-L166 HydrophobicContact CG-CD2 4.11Å
104F82Confident84.9Confident4 Ų452.7 Ų52.72%0.01824%0.243CC..Hα-helixtrans-67.5-43.5-179.5-105.2-59000112.6L79 L82 L100 L101 D102 I107 Y108 I157 L160 L163L79-F104 HydrophobicContact CD2-CB 3.25Å; L79-F104 HydrophobicContact CD2-CD1 3.22Å; L79-F104 HydrophobicContact CD2-CD2 4.35Å; L79-F104 HydrophobicContact CD2-CE1 4.06Å; L79-F104 HydrophobicContact CD2-CG 3.36Å; L79-F104 HydrophobicContact CG-CD1 4.01Å; L82-F104 HydrophobicContact CD2-CD2 3.56Å; L82-F104 HydrophobicContact CD2-CE2 3.52Å; L82-F104 HydrophobicContact CD2-CG 4.44Å; L82-F104 HydrophobicContact CD2-CZ 4.34Å; L100-F104 HydrophobicContact CD1-CD2 3.97Å; L100-F104 HydrophobicContact CD1-CE2 3.9Å; L100-F104 HydrophobicContact CG-CD2 4.12Å; L100-F104 HydrophobicContact CG-CE2 4.28Å; L100-F104 WeakPolarHBondContact O-CB 3.48Å; L100-F104 WeakPolarHBondContact O-CD2 3.38Å; L100-F104 PolarHBondContact O-N 3.4Å; L101-F104 WeakPolarHBondContact O-CB 3.38Å; L101-F104 PolarHBondContact O-N 3.44Å; D102-F104 VanDerWaalsContact C-N 3.31Å; D102-F104 PolarHBondContact O-N 3.24Å; F104-I107 PolarHBondContact O-N 3.34Å; F104-Y108 AromaticContact CD1-CD2 3.87Å; F104-Y108 HydrophobicContact CD1-CD2 3.87Å; F104-Y108 AromaticContact CD1-CE2 3.82Å; F104-Y108 HydrophobicContact CD1-CE2 3.82Å; F104-Y108 HydrophobicContact CE1-CE2 4.19Å; F104-Y108 VanDerWaalsContact O-CD2 3.27Å; F104-Y108 WeakPolarHBondContact O-CD2 3.22Å; F104-Y108 PolarHBondContact O-N 3.16Å; F104-Y108 VanDerWaalsContact O-N 3.16Å; F104-I157 HydrophobicContact CE2-CD1 4.13Å; F104-I157 HydrophobicContact CZ-CD1 4.41Å; F104-L160 HydrophobicContact CZ-CD1 4.09Å; F104-L163 HydrophobicContact CE1-CD1 3.64Å; F104-L163 HydrophobicContact CE2-CD1 3.61Å; F104-L163 HydrophobicContact CE2-CD2 4.36Å; F104-L163 HydrophobicContact CZ-CD1 3.04Å; F104-L163 HydrophobicContact CZ-CD2 4.47Å; F104-L163 HydrophobicContact CZ-CG 4.36Å
105N81.3Confident84.5Confident10 Ų1054.7 Ų54.75%0.05325%0.252CS..Hα-helixtrans-67.9-40.7-178.9-65.5-34.1000111.6L101 D102 I107 L109 F114L101-N105 WeakPolarHBondContact O-CB 3.29Å; L101-N105 PolarHBondContact O-N 3Å; L101-N105 PolarHBondContact O-ND2 3.33Å; D102-N105 PolarHBondContact O-N 2.98Å; N105-I107 VanDerWaalsContact C-N 3.28Å; N105-I107 PolarHBondContact O-N 3.28Å; N105-L109 CarbonylContact O-C 3.58Å; N105-L109 PolarHBondContact O-N 3.43Å; N105-L109 WeakPolarHBondContact OD1-CD1 2.99Å; N105-F114 HydrophobicContact CB-CD2 4.34Å; N105-F114 HydrophobicContact CB-CG 4.33Å; N105-F114 VanDerWaalsContact CG-CE2 3.44Å; N105-F114 WeakPolarHBondContact ND2-CD2 3.22Å; N105-F114 WeakPolarHBondContact ND2-CE1 3.29Å; N105-F114 WeakPolarHBondContact ND2-CE2 3.39Å; N105-F114 WeakPolarHBondContact ND2-CZ 3.23Å; N105-F114 VanDerWaalsContact OD1-CD2 3.22Å; N105-F114 WeakPolarHBondContact OD1-CD2 3.39Å; N105-F114 WeakPolarHBondContact OD1-CE2 3.5Å
106E81.5Confident84.1Confident159 Ų15952.4 Ų52.474%0.74324%0.24SC*.Hα-helixtrans-62.1-36.5179.5-175.7172.6-176.100112.2D102D102-E106 WeakPolarHBondContact O-CB 3.35Å; D102-E106 PolarHBondContact O-N 3.47Å
107I77.5Confident83.6Confident84 Ų8451.1 Ų51.143%0.43124%0.235SC..Hα-helixtrans-80.1-41.2-176.9-63.8169.2000111.9Y103 F104 N105Y103-I107 HydrophobicContact CD1-CD1 3.92Å; Y103-I107 HydrophobicContact CD2-CD1 4.23Å; Y103-I107 HydrophobicContact CE1-CD1 3.42Å; Y103-I107 VanDerWaalsContact CE1-CD1 3.42Å; Y103-I107 HydrophobicContact CE2-CD1 3.79Å; Y103-I107 HydrophobicContact CG-CD1 4.29Å; Y103-I107 WeakPolarHBondContact O-CD1 3.29Å; Y103-I107 VanDerWaalsContact O-CG1 3.29Å; Y103-I107 WeakPolarHBondContact O-CG1 3.27Å; Y103-I107 PolarHBondContact O-N 2.94Å; F104-I107 PolarHBondContact O-N 3.34Å; N105-I107 VanDerWaalsContact C-N 3.28Å; N105-I107 PolarHBondContact O-N 3.28Å
108Y77.1Confident83.1Confident82 Ų8251.1 Ų51.132%0.32224%0.235SC..Hα-helixtrans-114.3-18-164.8-60.6-69.4000115.1I75 L79 F104I75-Y108 HydrophobicContact CD1-CD1 4.41Å; I75-Y108 HydrophobicContact CD1-CE1 3.75Å; I75-Y108 HydrophobicContact CG2-CD1 3.65Å; I75-Y108 HydrophobicContact CG2-CD2 3.68Å; I75-Y108 HydrophobicContact CG2-CE1 3.75Å; I75-Y108 HydrophobicContact CG2-CE2 3.79Å; I75-Y108 HydrophobicContact CG2-CG 3.61Å; L79-Y108 HydrophobicContact CD1-CD2 4.06Å; L79-Y108 HydrophobicContact CD1-CG 4.08Å; F104-Y108 AromaticContact CD1-CD2 3.87Å; F104-Y108 HydrophobicContact CD1-CD2 3.87Å; F104-Y108 AromaticContact CD1-CE2 3.82Å; F104-Y108 HydrophobicContact CD1-CE2 3.82Å; F104-Y108 HydrophobicContact CE1-CE2 4.19Å; F104-Y108 VanDerWaalsContact O-CD2 3.27Å; F104-Y108 WeakPolarHBondContact O-CD2 3.22Å; F104-Y108 PolarHBondContact O-N 3.16Å; F104-Y108 VanDerWaalsContact O-N 3.16Å
109L78.1Confident82.6Confident20 Ų2052.5 Ų52.511%0.10524%0.241CC..  trans-123.7143.9-171.8-59.2-178.8000112.6L76 L79 N105 Q113 F114 I117L76-L109 HydrophobicContact CD1-CD2 3.41Å; L76-L109 VanDerWaalsContact CD1-CD2 3.41Å; L79-L109 HydrophobicContact CD1-CD1 4.36Å; L79-L109 HydrophobicContact CD1-CD2 4.29Å; L79-L109 HydrophobicContact CD1-CG 4.12Å; N105-L109 CarbonylContact O-C 3.58Å; N105-L109 PolarHBondContact O-N 3.43Å; N105-L109 WeakPolarHBondContact OD1-CD1 2.99Å; L109-Q113 HydrophobicContact CD2-CB 4.5Å; L109-F114 HydrophobicContact CB-CB 4.45Å; L109-F114 HydrophobicContact CD1-CB 4.34Å; L109-F114 HydrophobicContact CD1-CD2 4.23Å; L109-I117 HydrophobicContact CD1-CD1 3.7Å
110T79.4Confident82.1Confident77 Ų7749 Ų4947%0.47223%0.227SC..  trans-74.1155164.464.20000110.6Y112 Q113 F114T110-Y112 PolarHBondContact O-N 2.56Å; T110-Y112 VanDerWaalsContact O-N 3.16Å; T110-Q113 PolarHBondContact O-N 3.41Å; T110-Q113 VanDerWaalsContact O-N 3.12Å; T110-Q113 WeakPolarHBondContact OG1-CB 3.4Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 VanDerWaalsContact OG1-CG 3.25Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.46Å; T110-Q113 PolarHBondContact OG1-N 2.93Å; T110-Q113 PolarHBondContact OG1-OE1 3.31Å; T110-F114 PolarHBondContact O-N 3.47Å
111K81.6Confident81.6Confident101 Ų10149.9 Ų49.944%0.43923%0.23SC..Hα-helixtrans-50.3-41.6174.5-174.6-173.7-179.9-171.20111.9E115 L125K111-E115 WeakPolarHBondContact O-CB 3.29Å; K111-E115 PolarHBondContact O-N 2.82Å; K111-L125 HydrophobicContact CD-CD2 4.4Å; K111-L125 HydrophobicContact CG-CD2 4.3Å
112Y79.5Confident81.1Confident105 Ų10550.3 Ų50.341%0.41223%0.234SC..Hα-helixtrans-66.1-48.7179.6177.8-96.2000112.1T110 F114 E115 Q116T110-Y112 PolarHBondContact O-N 2.56Å; T110-Y112 VanDerWaalsContact O-N 3.16Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 3.46Å; Y112-E115 PolarHBondContact O-N 2.9Å; Y112-Q116 HydrophobicContact CD1-CG 4.28Å; Y112-Q116 HydrophobicContact CE1-CG 3.86Å; Y112-Q116 VanDerWaalsContact CE2-NE2 3.32Å; Y112-Q116 WeakPolarHBondContact O-CG 3.44Å; Y112-Q116 PolarHBondContact O-N 3.2Å
113Q79.2Confident80.9Confident65 Ų6547.8 Ų47.830%0.30422%0.22SC..Hα-helixtrans-59.4-44.7178.5-75165.1-33.900111.3L109 T110 E115 Q116 I117L109-Q113 HydrophobicContact CD2-CB 4.5Å; T110-Q113 PolarHBondContact O-N 3.41Å; T110-Q113 VanDerWaalsContact O-N 3.12Å; T110-Q113 WeakPolarHBondContact OG1-CB 3.4Å; T110-Q113 VanDerWaalsContact OG1-CD 3.29Å; T110-Q113 VanDerWaalsContact OG1-CG 3.25Å; T110-Q113 WeakPolarHBondContact OG1-CG 3.46Å; T110-Q113 PolarHBondContact OG1-N 2.93Å; T110-Q113 PolarHBondContact OG1-OE1 3.31Å; Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 3.24Å; Q113-Q116 PolarHBondContact O-N 3.37Å; Q113-I117 WeakPolarHBondContact O-CG1 2.95Å; Q113-I117 PolarHBondContact O-N 2.97Å
114F84.1Confident81Confident13 Ų1344.6 Ų44.66%0.05721%0.211CC..Hα-helixtrans-63.3-41.3177.9-176.5-123.1000112N105 L109 T110 Y112 Q116 I117 L118 Y128N105-F114 HydrophobicContact CB-CD2 4.34Å; N105-F114 HydrophobicContact CB-CG 4.33Å; N105-F114 VanDerWaalsContact CG-CE2 3.44Å; N105-F114 WeakPolarHBondContact ND2-CD2 3.22Å; N105-F114 WeakPolarHBondContact ND2-CE1 3.29Å; N105-F114 WeakPolarHBondContact ND2-CE2 3.39Å; N105-F114 WeakPolarHBondContact ND2-CZ 3.23Å; N105-F114 VanDerWaalsContact OD1-CD2 3.22Å; N105-F114 WeakPolarHBondContact OD1-CD2 3.39Å; N105-F114 WeakPolarHBondContact OD1-CE2 3.5Å; L109-F114 HydrophobicContact CB-CB 4.45Å; L109-F114 HydrophobicContact CD1-CB 4.34Å; L109-F114 HydrophobicContact CD1-CD2 4.23Å; T110-F114 PolarHBondContact O-N 3.47Å; Y112-F114 VanDerWaalsContact C-N 3.32Å; Y112-F114 PolarHBondContact O-N 3.46Å; F114-Q116 VanDerWaalsContact C-N 3.3Å; F114-Q116 PolarHBondContact O-N 3.21Å; F114-I117 PolarHBondContact O-N 2.81Å; F114-I117 VanDerWaalsContact O-N 3.14Å; F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.33Å; F114-L118 HydrophobicContact CD2-CG 4.43Å; F114-L118 HydrophobicContact CE1-CD1 3.57Å; F114-L118 HydrophobicContact CE1-CD2 4.18Å; F114-L118 HydrophobicContact CE1-CG 3.94Å; F114-L118 HydrophobicContact CE2-CD2 3.93Å; F114-L118 HydrophobicContact CE2-CG 4Å; F114-L118 HydrophobicContact CZ-CD1 3.87Å; F114-L118 HydrophobicContact CZ-CD2 3.58Å; F114-L118 HydrophobicContact CZ-CG 3.75Å; F114-L118 WeakPolarHBondContact O-CG 3.38Å; F114-L118 PolarHBondContact O-N 2.81Å; F114-Y128 AromaticContact CE1-CD1 3.7Å; F114-Y128 HydrophobicContact CE1-CD1 3.7Å; F114-Y128 HydrophobicContact CE1-CD2 4.26Å; F114-Y128 AromaticContact CE1-CE1 3.59Å; F114-Y128 HydrophobicContact CE1-CE1 3.59Å; F114-Y128 HydrophobicContact CE1-CE2 4.17Å; F114-Y128 HydrophobicContact CE1-CG 4.04Å; F114-Y128 AromaticContact CE1-CZ 3.84Å; F114-Y128 HydrophobicContact CZ-CD1 4.16Å; F114-Y128 AromaticContact CZ-CD2 3.92Å; F114-Y128 HydrophobicContact CZ-CD2 3.92Å; F114-Y128 AromaticContact CZ-CE1 3.89Å; F114-Y128 HydrophobicContact CZ-CE1 3.89Å; F114-Y128 AromaticContact CZ-CE2 3.64Å; F114-Y128 HydrophobicContact CZ-CE2 3.64Å; F114-Y128 HydrophobicContact CZ-CG 4.17Å; F114-Y128 AromaticContact CZ-CZ 3.62Å
115E84.5Confident81.3Confident55 Ų5546.3 Ų46.326%0.25722%0.22SC..Hα-helixtrans-60.4-37.5174.2-170.9-174.5145.900112.5K111 Y112 Q113 L118 K119 L125K111-E115 WeakPolarHBondContact O-CB 3.29Å; K111-E115 PolarHBondContact O-N 2.82Å; Y112-E115 PolarHBondContact O-N 2.9Å; Q113-E115 VanDerWaalsContact C-N 3.34Å; Q113-E115 PolarHBondContact O-N 3.24Å; E115-L118 PolarHBondContact O-N 3.37Å; E115-K119 VanDerWaalsContact O-CG 3.32Å; E115-K119 WeakPolarHBondContact O-CG 3.42Å; E115-K119 PolarHBondContact O-N 3.42Å; E115-K119 VanDerWaalsContact O-N 3.1Å; E115-K119 VanDerWaalsContact OE1-CE 3.25Å; E115-K119 WeakPolarHBondContact OE1-CE 3.17Å; E115-K119 IonicContact OE1-NZ 2.71Å; E115-K119 PolarHBondContact OE1-NZ 3.45Å; E115-L125 HydrophobicContact CG-CB 4.26Å
116Q79.6Confident81.6Confident17 Ų1750 Ų508%0.07924%0.244CC..Hα-helixtrans-66.6-39.6174.4-60.9-50.1-43.700112.2Y112 Q113 F114 K119 I120Y112-Q116 HydrophobicContact CD1-CG 4.28Å; Y112-Q116 HydrophobicContact CE1-CG 3.86Å; Y112-Q116 VanDerWaalsContact CE2-NE2 3.32Å; Y112-Q116 WeakPolarHBondContact O-CG 3.44Å; Y112-Q116 PolarHBondContact O-N 3.2Å; Q113-Q116 PolarHBondContact O-N 3.37Å; F114-Q116 VanDerWaalsContact C-N 3.3Å; F114-Q116 PolarHBondContact O-N 3.21Å; Q116-K119 PolarHBondContact O-N 2.97Å; Q116-I120 PolarHBondContact O-N 3.14Å
117I80.2Confident82.1Confident6 Ų642.6 Ų42.63%0.03121%0.209CC..Hα-helixtrans-62.9-46.3175.3-66.5170.9000110.4T83 L109 Q113 F114 K119 I120 F121 L334T83-I117 HydrophobicContact CG2-CG2 3.95Å; L109-I117 HydrophobicContact CD1-CD1 3.7Å; Q113-I117 WeakPolarHBondContact O-CG1 2.95Å; Q113-I117 PolarHBondContact O-N 2.97Å; F114-I117 PolarHBondContact O-N 2.81Å; F114-I117 VanDerWaalsContact O-N 3.14Å; I117-K119 VanDerWaalsContact C-N 3.31Å; I117-K119 PolarHBondContact O-N 3.47Å; I117-I120 WeakPolarHBondContact O-CB 3.16Å; I117-I120 PolarHBondContact O-N 3.36Å; I117-I120 VanDerWaalsContact O-N 3.15Å; I117-F121 HydrophobicContact CG2-CD2 4.34Å; I117-F121 HydrophobicContact CG2-CE2 3.82Å; I117-F121 VanDerWaalsContact O-CD2 3.23Å; I117-F121 WeakPolarHBondContact O-CD2 3.19Å; I117-L334 HydrophobicContact CG1-CD2 4.46Å
118L84Confident82.7Confident0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-57.1-43.4177.1-71.7178.9000112.2L87 F114 E115 I120 F121 G122 W123 L125 Y128L87-L118 HydrophobicContact CD1-CD2 3.44Å; L87-L118 VanDerWaalsContact CD1-CD2 3.44Å; F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.33Å; F114-L118 HydrophobicContact CD2-CG 4.43Å; F114-L118 HydrophobicContact CE1-CD1 3.57Å; F114-L118 HydrophobicContact CE1-CD2 4.18Å; F114-L118 HydrophobicContact CE1-CG 3.94Å; F114-L118 HydrophobicContact CE2-CD2 3.93Å; F114-L118 HydrophobicContact CE2-CG 4Å; F114-L118 HydrophobicContact CZ-CD1 3.87Å; F114-L118 HydrophobicContact CZ-CD2 3.58Å; F114-L118 HydrophobicContact CZ-CG 3.75Å; F114-L118 WeakPolarHBondContact O-CG 3.38Å; F114-L118 PolarHBondContact O-N 2.81Å; E115-L118 PolarHBondContact O-N 3.37Å; L118-I120 PolarHBondContact O-N 3.39Å; L118-F121 CarbonylContact O-C 3.54Å; L118-F121 PolarHBondContact O-N 2.93Å; L118-G122 PolarHBondContact O-N 3.44Å; L118-W123 CarbonylContact C-O 3.59Å; L118-W123 HydrophobicContact CB-CB 4.02Å; L118-W123 WeakPolarHBondContact CB-O 3.43Å; L118-W123 HydrophobicContact CD2-CB 4.05Å; L118-W123 PolarHBondContact O-N 3.25Å; L118-L125 HydrophobicContact CD1-CD1 4.31Å; L118-Y128 HydrophobicContact CD1-CD2 4.42Å; L118-Y128 HydrophobicContact CD1-CG 3.96Å; L118-Y128 HydrophobicContact CD2-CD2 3.8Å; L118-Y128 HydrophobicContact CD2-CG 4.19Å
119K81.6Confident83.3Confident79 Ų7939.5 Ų39.534%0.34320%0.202SC..Hα-helixtrans-59.7-31.1179.2-77.2170.3-176.2163.10113.2S5 E115 Q116 I117 F121 G122 W123S5-K119 WeakPolarHBondContact CB-O 3Å; S5-K119 PolarHBondContact OG-O 3.28Å; E115-K119 VanDerWaalsContact O-CG 3.32Å; E115-K119 WeakPolarHBondContact O-CG 3.42Å; E115-K119 PolarHBondContact O-N 3.42Å; E115-K119 VanDerWaalsContact O-N 3.1Å; E115-K119 VanDerWaalsContact OE1-CE 3.25Å; E115-K119 WeakPolarHBondContact OE1-CE 3.17Å; E115-K119 IonicContact OE1-NZ 2.71Å; E115-K119 PolarHBondContact OE1-NZ 3.45Å; Q116-K119 PolarHBondContact O-N 2.97Å; I117-K119 VanDerWaalsContact C-N 3.31Å; I117-K119 PolarHBondContact O-N 3.47Å; K119-F121 VanDerWaalsContact C-N 3.29Å; K119-F121 PolarHBondContact O-N 2.97Å; K119-G122 PolarHBondContact O-N 2.84Å; K119-W123 PolarHBondContact N-O 3.29Å
120I77.4Confident83.8Confident9 Ų941.1 Ų41.15%0.04621%0.214CC..Hα-helixtrans-61.6-41.3174.9-65.5164.4000110.4A9 Q116 I117 L118 G122 L334 L335 I338A9-I120 HydrophobicContact CB-CG2 4.32Å; Q116-I120 PolarHBondContact O-N 3.14Å; I117-I120 WeakPolarHBondContact O-CB 3.16Å; I117-I120 PolarHBondContact O-N 3.36Å; I117-I120 VanDerWaalsContact O-N 3.15Å; L118-I120 PolarHBondContact O-N 3.39Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.36Å; I120-L334 HydrophobicContact CD1-CD2 3.33Å; I120-L334 HydrophobicContact CD1-CG 3.92Å; I120-L335 HydrophobicContact CG1-CD1 4.34Å; I120-L335 HydrophobicContact CG2-CD1 4.47Å; I120-L335 HydrophobicContact CG2-CD2 4.36Å; I120-L335 HydrophobicContact CG2-CG 4.44Å; I120-I338 HydrophobicContact CD1-CD1 4.39Å
121F80.8Confident84.2Confident18 Ų1838 Ų388%0.07920%0.198CC..THydrogen-bonded Turntrans-86.25.3-179.7-56.5-67.8000113.5A9 T83 N84 L87 C88 I117 L118 K119 W123A9-F121 HydrophobicContact CB-CD1 4.49Å; T83-F121 HydrophobicContact CG2-CD2 3.73Å; T83-F121 HydrophobicContact CG2-CE2 3.61Å; N84-F121 HydrophobicContact CB-CE1 3.69Å; N84-F121 HydrophobicContact CB-CZ 3.67Å; N84-F121 WeakPolarHBondContact OD1-CE1 3.29Å; L87-F121 HydrophobicContact CB-CB 4.25Å; L87-F121 HydrophobicContact CB-CG 4.46Å; C88-F121 HydrophobicContact CB-CD1 4.46Å; I117-F121 HydrophobicContact CG2-CD2 4.34Å; I117-F121 HydrophobicContact CG2-CE2 3.82Å; I117-F121 VanDerWaalsContact O-CD2 3.23Å; I117-F121 WeakPolarHBondContact O-CD2 3.19Å; L118-F121 CarbonylContact O-C 3.54Å; L118-F121 PolarHBondContact O-N 2.93Å; K119-F121 VanDerWaalsContact C-N 3.29Å; K119-F121 PolarHBondContact O-N 2.97Å; F121-W123 VanDerWaalsContact C-N 3.33Å
122G80.2Confident84.6Confident8 Ų837.7 Ų37.78%0.08219%0.194CC..THydrogen-bonded Turntrans80.410.4-178.600000114.6L118 K119 I120 M133L118-G122 PolarHBondContact O-N 3.44Å; K119-G122 PolarHBondContact O-N 2.84Å; I120-G122 VanDerWaalsContact C-N 3.26Å; I120-G122 PolarHBondContact O-N 3.36Å; G122-M133 WeakPolarHBondContact O-CE 3.26Å
123W86Confident84.8Confident3 Ų333.2 Ų33.21%0.01118%0.177CC..  trans-92.1138.5178.4-72.574.4000111L87 C90 H91 I93 L118 K119 F121 D127 M133L87-W123 HydrophobicContact CD1-CG 4.28Å; L87-W123 HydrophobicContact CD2-CD2 4.4Å; L87-W123 HydrophobicContact CD2-CZ2 4.11Å; L87-W123 PolarHBondContact O-NE1 3.45Å; C90-W123 HydrophobicContact CB-CZ2 4.21Å; C90-W123 VanDerWaalsContact O-CZ2 3.29Å; C90-W123 WeakPolarHBondContact O-CZ2 3.14Å; H91-W123 WeakPolarHBondContact O-CH2 3.03Å; I93-W123 HydrophobicContact CD1-CE3 4.17Å; I93-W123 HydrophobicContact CD1-CH2 3.86Å; I93-W123 HydrophobicContact CD1-CZ3 3.66Å; I93-W123 HydrophobicContact CG1-CH2 3.42Å; I93-W123 VanDerWaalsContact CG1-CH2 3.42Å; I93-W123 HydrophobicContact CG1-CZ2 4.04Å; I93-W123 HydrophobicContact CG1-CZ3 3.76Å; L118-W123 CarbonylContact C-O 3.59Å; L118-W123 HydrophobicContact CB-CB 4.02Å; L118-W123 WeakPolarHBondContact CB-O 3.43Å; L118-W123 HydrophobicContact CD2-CB 4.05Å; L118-W123 PolarHBondContact O-N 3.25Å; K119-W123 PolarHBondContact N-O 3.29Å; F121-W123 VanDerWaalsContact C-N 3.33Å; W123-D127 HydrophobicContact CE3-CB 3.78Å; W123-D127 HydrophobicContact CZ3-CB 4.24Å; W123-M133 HydrophobicContact CD2-CG 4.07Å; W123-M133 HydrophobicContact CE3-CG 4.05Å; W123-M133 HydrophobicContact CH2-CG 3.88Å; W123-M133 HydrophobicContact CZ2-CG 3.91Å; W123-M133 HydrophobicContact CZ2-SD 4.4Å; W123-M133 HydrophobicContact CZ3-CG 3.95Å
124S85.5Confident84.7Confident21 Ų2133.7 Ų33.715%0.14718%0.181CC..  trans-90.8160.2163.969.50000111.1T126 D127 Y128S124-T126 PolarHBondContact O-N 3.28Å; S124-T126 PolarHBondContact OG-OG1 2.95Å; S124-D127 WeakPolarHBondContact CB-OD2 3.47Å; S124-D127 PolarHBondContact N-OD2 2.98Å; S124-D127 WeakPolarHBondContact O-CB 3.48Å; S124-D127 PolarHBondContact O-N 3.46Å; S124-D127 WeakPolarHBondContact OG-CB 3.25Å; S124-D127 PolarHBondContact OG-N 2.94Å; S124-D127 VanDerWaalsContact OG-N 3.07Å; S124-D127 PolarHBondContact OG-OD1 3.07Å; S124-D127 PolarHBondContact OG-OD2 3.38Å; S124-Y128 PolarHBondContact O-N 3.02Å
125L88.6Confident83.9Confident41 Ų4138.7 Ų38.722%0.21521%0.209CC..Hα-helixtrans-59.6-34.4173.9-177.664.7000111.9K111 E115 L118 T129K111-L125 HydrophobicContact CD-CD2 4.4Å; K111-L125 HydrophobicContact CG-CD2 4.3Å; E115-L125 HydrophobicContact CG-CB 4.26Å; L118-L125 HydrophobicContact CD1-CD1 4.31Å; L125-T129 WeakPolarHBondContact O-CB 3.4Å; L125-T129 PolarHBondContact O-N 2.91Å; L125-T129 PolarHBondContact O-OG1 3.01Å
126T88.2Confident82.7Confident88 Ų8839.1 Ų39.154%0.5421%0.213SC..Hα-helixtrans-66.9-43.4175.244.30000111.9S124 Y128 T129 C130S124-T126 PolarHBondContact O-N 3.28Å; S124-T126 PolarHBondContact OG-OG1 2.95Å; T126-Y128 VanDerWaalsContact C-N 3.34Å; T126-Y128 PolarHBondContact O-N 2.86Å; T126-T129 PolarHBondContact O-N 3.03Å; T126-C130 PolarHBondContact O-N 2.87Å; T126-C130 PolarHBondContact O-SG 3.46Å; T126-C130 VanDerWaalsContact O-SG 3.35Å
127D90.2Very high81.4Confident2 Ų242.3 Ų42.31%0.01124%0.236CC..Hα-helixtrans-60.1-46.3175.7-62.6-38.7000110.9W123 S124 T129 C130 G131 Y132 I134W123-D127 HydrophobicContact CE3-CB 3.78Å; W123-D127 HydrophobicContact CZ3-CB 4.24Å; S124-D127 WeakPolarHBondContact CB-OD2 3.47Å; S124-D127 PolarHBondContact N-OD2 2.98Å; S124-D127 WeakPolarHBondContact O-CB 3.48Å; S124-D127 PolarHBondContact O-N 3.46Å; S124-D127 WeakPolarHBondContact OG-CB 3.25Å; S124-D127 PolarHBondContact OG-N 2.94Å; S124-D127 VanDerWaalsContact OG-N 3.07Å; S124-D127 PolarHBondContact OG-OD1 3.07Å; S124-D127 PolarHBondContact OG-OD2 3.38Å; D127-T129 PolarHBondContact O-N 3.31Å; D127-C130 PolarHBondContact O-N 2.96Å; D127-G131 PolarHBondContact O-N 3.45Å; D127-Y132 CarbonylContact C-O 3.54Å; D127-Y132 VanDerWaalsContact CA-O 3.3Å; D127-Y132 WeakPolarHBondContact CA-O 3.45Å; D127-Y132 PolarHBondContact O-N 3.34Å; D127-Y132 VanDerWaalsContact O-N 3.15Å; D127-I134 WeakPolarHBondContact OD1-CB 3.45Å; D127-I134 WeakPolarHBondContact OD1-CG1 3.29Å; D127-I134 PolarHBondContact OD1-N 2.84Å
128Y90.1Very high80Confident7 Ų752 Ų523%0.02728%0.277CS..Hα-helixtrans-63.1-42.4178.9-180-91.1000112.2I93 K98 L101 D102 F114 L118 S124 T126 C130 G131I93-Y128 HydrophobicContact CD1-CD2 3.48Å; I93-Y128 VanDerWaalsContact CD1-CD2 3.48Å; I93-Y128 HydrophobicContact CD1-CE2 3.77Å; I93-Y128 HydrophobicContact CD1-CG 4.42Å; K98-Y128 WeakPolarHBondContact CE-O 3.24Å; L101-Y128 HydrophobicContact CB-CE2 4.45Å; L101-Y128 VanDerWaalsContact CB-OH 3.29Å; L101-Y128 WeakPolarHBondContact CB-OH 3.11Å; L101-Y128 HydrophobicContact CD1-CE2 4.06Å; D102-Y128 PolarHBondContact N-OH 3.16Å; D102-Y128 WeakPolarHBondContact OD1-CE1 3.27Å; D102-Y128 VanDerWaalsContact OD1-CZ 3.23Å; D102-Y128 PolarHBondContact OD1-OH 3.17Å; F114-Y128 AromaticContact CE1-CD1 3.7Å; F114-Y128 HydrophobicContact CE1-CD1 3.7Å; F114-Y128 HydrophobicContact CE1-CD2 4.26Å; F114-Y128 AromaticContact CE1-CE1 3.59Å; F114-Y128 HydrophobicContact CE1-CE1 3.59Å; F114-Y128 HydrophobicContact CE1-CE2 4.17Å; F114-Y128 HydrophobicContact CE1-CG 4.04Å; F114-Y128 AromaticContact CE1-CZ 3.84Å; F114-Y128 HydrophobicContact CZ-CD1 4.16Å; F114-Y128 AromaticContact CZ-CD2 3.92Å; F114-Y128 HydrophobicContact CZ-CD2 3.92Å; F114-Y128 AromaticContact CZ-CE1 3.89Å; F114-Y128 HydrophobicContact CZ-CE1 3.89Å; F114-Y128 AromaticContact CZ-CE2 3.64Å; F114-Y128 HydrophobicContact CZ-CE2 3.64Å; F114-Y128 HydrophobicContact CZ-CG 4.17Å; F114-Y128 AromaticContact CZ-CZ 3.62Å; L118-Y128 HydrophobicContact CD1-CD2 4.42Å; L118-Y128 HydrophobicContact CD1-CG 3.96Å; L118-Y128 HydrophobicContact CD2-CD2 3.8Å; L118-Y128 HydrophobicContact CD2-CG 4.19Å; S124-Y128 PolarHBondContact O-N 3.02Å; T126-Y128 VanDerWaalsContact C-N 3.34Å; T126-Y128 PolarHBondContact O-N 2.86Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 3.47Å; Y128-G131 PolarHBondContact O-N 2.8Å; Y128-G131 VanDerWaalsContact O-N 3.08Å
129T90.1Very high78.6Confident94 Ų9455.2 Ų55.258%0.57729%0.293SS*.Hα-helixtrans-61.7-41.4177.7-57.40000111.1L125 T126 D127 G131L125-T129 WeakPolarHBondContact O-CB 3.4Å; L125-T129 PolarHBondContact O-N 2.91Å; L125-T129 PolarHBondContact O-OG1 3.01Å; T126-T129 PolarHBondContact O-N 3.03Å; D127-T129 PolarHBondContact O-N 3.31Å; T129-G131 VanDerWaalsContact C-N 3.28Å; T129-G131 PolarHBondContact O-N 3.31Å
130C88.6Confident77.4Confident55 Ų5557.3 Ų57.337%0.37232%0.317SS..Hα-helixtrans-71.5-20.4175.4-680000113.6T126 D127 Y128 Y132T126-C130 PolarHBondContact O-N 2.87Å; T126-C130 PolarHBondContact O-SG 3.46Å; T126-C130 VanDerWaalsContact O-SG 3.35Å; D127-C130 PolarHBondContact O-N 2.96Å; Y128-C130 VanDerWaalsContact C-N 3.31Å; Y128-C130 PolarHBondContact O-N 3.47Å; C130-Y132 VanDerWaalsContact C-N 3.28Å; C130-Y132 HydrophobicContact CB-CD1 3.99Å; C130-Y132 HydrophobicContact CB-CE1 3.75Å; C130-Y132 VanDerWaalsContact O-CD1 3.3Å; C130-Y132 WeakPolarHBondContact O-CD1 3.1Å
131G88.6Confident77Confident12 Ų1262.9 Ų62.912%0.12435%0.346CS..THydrogen-bonded Turntrans80.74-173.900000114.2I93 D127 Y128 T129I93-G131 PolarHBondContact N-O 2.86Å; D127-G131 PolarHBondContact O-N 3.45Å; Y128-G131 PolarHBondContact O-N 2.8Å; Y128-G131 VanDerWaalsContact O-N 3.08Å; T129-G131 VanDerWaalsContact C-N 3.28Å; T129-G131 PolarHBondContact O-N 3.31Å
132Y89.2Confident76.9Confident94 Ų9466 Ų6637%0.36936%0.363SS..BIsolated β-bridgetrans-150.1153177.964.8-90.6000111.9H91 D127 C130 I134H91-Y132 CarbonylContact O-C 3.38Å; H91-Y132 WeakPolarHBondContact O-CA 3.33Å; D127-Y132 CarbonylContact C-O 3.54Å; D127-Y132 VanDerWaalsContact CA-O 3.3Å; D127-Y132 WeakPolarHBondContact CA-O 3.45Å; D127-Y132 PolarHBondContact O-N 3.34Å; D127-Y132 VanDerWaalsContact O-N 3.15Å; C130-Y132 VanDerWaalsContact C-N 3.28Å; C130-Y132 HydrophobicContact CB-CD1 3.99Å; C130-Y132 HydrophobicContact CB-CE1 3.75Å; C130-Y132 VanDerWaalsContact O-CD1 3.3Å; C130-Y132 WeakPolarHBondContact O-CD1 3.1Å; Y132-I134 HydrophobicContact CD2-CG1 4.48Å; Y132-I134 HydrophobicContact CE2-CG1 4.04Å; Y132-I134 PolarHBondContact O-N 3.37Å
133M83.5Confident77.2Confident10 Ų1066.1 Ų66.15%0.04936%0.362CS..  trans-74.2121.6176.3-60.5-171.982.800111.6H91 G122 W123 N136H91-M133 PolarHBondContact O-N 3.39Å; G122-M133 WeakPolarHBondContact O-CE 3.26Å; W123-M133 HydrophobicContact CD2-CG 4.07Å; W123-M133 HydrophobicContact CE3-CG 4.05Å; W123-M133 HydrophobicContact CH2-CG 3.88Å; W123-M133 HydrophobicContact CZ2-CG 3.91Å; W123-M133 HydrophobicContact CZ2-SD 4.4Å; W123-M133 HydrophobicContact CZ3-CG 3.95Å; M133-N136 HydrophobicContact CB-CB 4.32Å; M133-N136 HydrophobicContact CE-CB 4.12Å; M133-N136 WeakPolarHBondContact CE-ND2 3.26Å; M133-N136 HydrophobicContact SD-CB 4.25Å
134I77.9Confident77.3Confident76 Ų7668 Ų6839%0.3937%0.371SS..SBendtrans-78.6-43.3-178.1-58.9169.5000110.8D127 Y132D127-I134 WeakPolarHBondContact OD1-CB 3.45Å; D127-I134 WeakPolarHBondContact OD1-CG1 3.29Å; D127-I134 PolarHBondContact OD1-N 2.84Å; Y132-I134 HydrophobicContact CD2-CG1 4.48Å; Y132-I134 HydrophobicContact CE2-CG1 4.04Å; Y132-I134 PolarHBondContact O-N 3.37Å
135N67.8Low77.6Confident118 Ų11867.1 Ų67.163%0.63137%0.365SS*.THydrogen-bonded Turntrans-93.8-5.7-167-67.4-27.3000115.3
136N59.7Low77.6Confident64 Ų6466.9 Ų66.934%0.34237%0.366SS..THydrogen-bonded Turntrans-106.717.6-173.6-83.9-1000115.1M133 K138M133-N136 HydrophobicContact CB-CB 4.32Å; M133-N136 HydrophobicContact CE-CB 4.12Å; M133-N136 WeakPolarHBondContact CE-ND2 3.26Å; M133-N136 HydrophobicContact SD-CB 4.25Å; N136-K138 PolarHBondContact O-N 3.42Å
137C50.4Low77.6Confident83 Ų8365.8 Ų65.856%0.56136%0.36SS*.THydrogen-bonded Turntrans-70.322.7-175.5-65.60000116.4Q139C137-Q139 PolarHBondContact O-N 2.87Å
138K51.9Low77.6Confident209 Ų20971.3 Ų71.391%0.90939%0.389SS*.THydrogen-bonded Turntrans-73.7-8.7174.2-67.7-172.2-178.4179.80113.2N136N136-K138 PolarHBondContact O-N 3.42Å
139Q55.5Low77.7Confident69 Ų6971.1 Ų71.132%0.32239%0.389SS..  trans-92136.8176.6-67-172.6-1100111.5T33 H91 C137 I141T33-Q139 PolarHBondContact O-NE2 3.14Å; H91-Q139 PolarHBondContact CE1-OE1 2.73Å; H91-Q139 PolarHBondContact NE2-OE1 3.3Å; C137-Q139 PolarHBondContact O-N 2.87Å; Q139-I141 VanDerWaalsContact C-N 3.33Å
140S56.4Low77.9Confident122 Ų12266.8 Ų66.885%0.85336%0.362SS*.SBendtrans-73-25.1176.5540000113.3
141I68.6Low78.1Confident126 Ų12668.8 Ų68.865%0.64636%0.362SS*.SBendtrans-120.4121-179.1-59.9167.4000107.5Q139Q139-I141 VanDerWaalsContact C-N 3.33Å
142L78.4Confident78.3Confident84 Ų8469.9 Ų69.944%0.4437%0.365SS..  trans-88.7122.2179.5-60.6169000109.8H91 L92H91-L142 HydrophobicContact CB-CB 4.43Å; H91-L142 HydrophobicContact CB-CD2 4.02Å; L92-L142 HydrophobicContact CD1-CB 3.92Å; L92-L142 HydrophobicContact CD1-CD1 3.71Å; L92-L142 HydrophobicContact CD1-CG 4.26Å
143N85.3Confident78.5Confident11 Ų1165.4 Ų65.46%0.05935%0.347CS..  trans-75.2135.6174.3-63.6-27.8000110.9G89 H91 L92G89-N143 VanDerWaalsContact O-CB 3.28Å; G89-N143 WeakPolarHBondContact O-CB 3.49Å; G89-N143 PolarHBondContact O-ND2 2.85Å; G89-N143 VanDerWaalsContact O-ND2 3.13Å; H91-N143 PolarHBondContact N-O 3.47Å; L92-N143 PolarHBondContact N-O 3.26Å
144I89.6Confident78.9Confident42 Ų4264.9 Ų64.922%0.21535%0.345CS..BIsolated β-bridgetrans-134.9150.4177.3-170.7170.6000109.3R36 L92 P94 T146R36-I144 PolarHBondContact NH1-O 2.72Å; L92-I144 HydrophobicContact CB-CB 4.17Å; L92-I144 HydrophobicContact CB-CD1 4.03Å; L92-I144 HydrophobicContact CB-CG1 3.98Å; L92-I144 HydrophobicContact CD2-CD1 4.48Å; P94-I144 HydrophobicContact CG-CD1 4Å; P94-I144 HydrophobicContact CG-CG1 3.76Å; I144-T146 PolarHBondContact O-N 2.88Å; I144-T146 VanDerWaalsContact O-N 3.11Å
145C91Very high79.6Confident2 Ų266.3 Ų66.31%0.01435%0.348CS..  trans-61.1110.7164.6-170.30000109.9P94 E149P94-C145 HydrophobicContact CG-CB 3.82Å; P94-C145 WeakPolarHBondContact CG-O 3.44Å; C145-E149 WeakPolarHBondContact CA-OE2 3.38Å
146T89.4Confident80.7Confident37 Ų3762.3 Ų62.323%0.22733%0.326CS..  trans-72.9155.4-17665.20000111I144 N148 E149 E150I144-T146 PolarHBondContact O-N 2.88Å; I144-T146 VanDerWaalsContact O-N 3.11Å; T146-N148 PolarHBondContact O-N 3.33Å; T146-N148 VanDerWaalsContact O-N 3.09Å; T146-E149 WeakPolarHBondContact CB-OE2 3.48Å; T146-E149 PolarHBondContact N-OE2 3.35Å; T146-E149 WeakPolarHBondContact O-CA 3.3Å; T146-E149 WeakPolarHBondContact O-CB 3.35Å; T146-E149 PolarHBondContact O-N 3.21Å; T146-E149 VanDerWaalsContact OG1-CG 3.28Å; T146-E149 WeakPolarHBondContact OG1-CG 3.42Å; T146-E149 PolarHBondContact OG1-OE2 3.18Å; T146-E150 WeakPolarHBondContact O-CG 3.38Å; T146-E150 PolarHBondContact O-N 3.1Å
147P88.4Confident82.2Confident65 Ų6559.2 Ų59.242%0.42231%0.309SS..Hα-helixtrans-54.9-32.8179.3-28.335.8000114.4E150 Y151P147-E150 PolarHBondContact O-N 2.76Å; P147-Y151 WeakPolarHBondContact O-CB 3.26Å; P147-Y151 PolarHBondContact O-N 3.47Å
148N88.8Confident84.1Confident117 Ų11759.4 Ų59.463%0.62630%0.301SS*.Hα-helixtrans-65.4-39.3175.8-69.5-18.7000112.2T146 L152T146-N148 PolarHBondContact O-N 3.33Å; T146-N148 VanDerWaalsContact O-N 3.09Å; N148-L152 WeakPolarHBondContact O-CG 3.45Å; N148-L152 PolarHBondContact O-N 3.16Å
149E92.4Very high85.8Confident3 Ų353 Ų531%0.01428%0.277CS..Hα-helixtrans-74-41.6177.6-66158.3160.100110.9R36 S44 T46 F47 C145 T146 Y151 L152 I153R36-E149 IonicContact CZ-OE1 3.14Å; R36-E149 IonicContact CZ-OE2 3.47Å; R36-E149 VanDerWaalsContact NH1-CD 3.28Å; R36-E149 IonicContact NH1-OE1 2.77Å; R36-E149 PolarHBondContact NH1-OE1 3.14Å; R36-E149 IonicContact NH1-OE2 3.37Å; R36-E149 PolarHBondContact NH1-OE2 2.94Å; R36-E149 IonicContact NH2-OE1 2.67Å; R36-E149 PolarHBondContact NH2-OE1 3.09Å; R36-E149 IonicContact NH2-OE2 2.74Å; R36-E149 PolarHBondContact NH2-OE2 2.93Å; S44-E149 WeakPolarHBondContact CB-OE1 3.13Å; S44-E149 PolarHBondContact OG-OE1 3.12Å; T46-E149 HydrophobicContact CG2-CB 3.99Å; T46-E149 HydrophobicContact CG2-CG 4.16Å; F47-E149 HydrophobicContact CE2-CG 4.05Å; F47-E149 HydrophobicContact CZ-CG 4.26Å; C145-E149 WeakPolarHBondContact CA-OE2 3.38Å; T146-E149 WeakPolarHBondContact CB-OE2 3.48Å; T146-E149 PolarHBondContact N-OE2 3.35Å; T146-E149 WeakPolarHBondContact O-CA 3.3Å; T146-E149 WeakPolarHBondContact O-CB 3.35Å; T146-E149 PolarHBondContact O-N 3.21Å; T146-E149 VanDerWaalsContact OG1-CG 3.28Å; T146-E149 WeakPolarHBondContact OG1-CG 3.42Å; T146-E149 PolarHBondContact OG1-OE2 3.18Å; E149-Y151 VanDerWaalsContact C-N 3.28Å; E149-Y151 PolarHBondContact O-N 3.45Å; E149-L152 PolarHBondContact O-N 2.76Å; E149-L152 VanDerWaalsContact O-N 3.17Å; E149-I153 VanDerWaalsContact O-CG1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.36Å; E149-I153 PolarHBondContact O-N 3.29Å
150E94Very high87.2Confident3 Ų350 Ų501%0.01426%0.262CS..Hα-helixtrans-54.2-47172.3-64.6-173.4-103.500111P94 R96 M97 T146 P147 L152 I153 L154 I174P94-E150 HydrophobicContact CG-CG 4.3Å; R96-E150 WeakPolarHBondContact CB-OE2 3.48Å; R96-E150 IonicContact CZ-OE1 3.62Å; R96-E150 IonicContact CZ-OE2 2.83Å; R96-E150 IonicContact NE-OE1 2.66Å; R96-E150 IonicContact NE-OE2 3.7Å; R96-E150 PolarHBondContact NE-OE2 3.48Å; R96-E150 IonicContact NH2-OE1 3.86Å; R96-E150 PolarHBondContact NH2-OE1 3.37Å; R96-E150 IonicContact NH2-OE2 3.72Å; R96-E150 PolarHBondContact NH2-OE2 3.46Å; M97-E150 HydrophobicContact CE-CB 3.87Å; M97-E150 HydrophobicContact CE-CG 4.01Å; M97-E150 HydrophobicContact CG-CG 3.76Å; M97-E150 HydrophobicContact SD-CB 4.25Å; M97-E150 HydrophobicContact SD-CG 4.07Å; T146-E150 WeakPolarHBondContact O-CG 3.38Å; T146-E150 PolarHBondContact O-N 3.1Å; P147-E150 PolarHBondContact O-N 2.76Å; E150-L152 PolarHBondContact O-N 3.18Å; E150-I153 PolarHBondContact O-N 2.93Å; E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 VanDerWaalsContact O-CG 3.31Å; E150-L154 WeakPolarHBondContact O-CG 3.35Å; E150-L154 PolarHBondContact O-N 2.98Å; E150-I174 HydrophobicContact CB-CD1 3.8Å
151Y92.4Very high88.2Confident98 Ų9846.6 Ų46.638%0.38424%0.238SC..Hα-helixtrans-58.7-46.6176.6176.1-93.1000112P147 E149 K155 L171P147-Y151 WeakPolarHBondContact O-CB 3.26Å; P147-Y151 PolarHBondContact O-N 3.47Å; E149-Y151 VanDerWaalsContact C-N 3.28Å; E149-Y151 PolarHBondContact O-N 3.45Å; Y151-K155 HydrophobicContact CE1-CD 4.17Å; Y151-K155 VanDerWaalsContact O-CB 3.25Å; Y151-K155 WeakPolarHBondContact O-CB 3.34Å; Y151-K155 PolarHBondContact O-N 3.29Å; Y151-L171 HydrophobicContact CD2-CD2 3.58Å; Y151-L171 HydrophobicContact CE2-CD2 3.89Å; Y151-L171 HydrophobicContact CG-CD2 4.37Å
152L92.9Very high88.6Confident34 Ų3447 Ų4718%0.17824%0.241CC..Hα-helixtrans-64.2-43.8179.1-73.6179.9000112.4F47 N148 E149 E150 K155 Q156F47-L152 HydrophobicContact CD1-CD1 3.55Å; F47-L152 HydrophobicContact CE1-CD1 3.27Å; F47-L152 HydrophobicContact CZ-CD1 4.24Å; N148-L152 WeakPolarHBondContact O-CG 3.45Å; N148-L152 PolarHBondContact O-N 3.16Å; E149-L152 PolarHBondContact O-N 2.76Å; E149-L152 VanDerWaalsContact O-N 3.17Å; E150-L152 PolarHBondContact O-N 3.18Å; L152-K155 PolarHBondContact O-N 3.43Å; L152-Q156 WeakPolarHBondContact O-CG 3.26Å; L152-Q156 PolarHBondContact O-N 2.99Å
153I93.9Very high88.8Confident0 Ų043.3 Ų43.30%022%0.222CC..Hα-helixtrans-61.1-51.8178-67.1165.8000109.6T46 L82 L85 I86 M97 E149 E150 K155 Q156 I157T46-I153 HydrophobicContact CG2-CD1 4.04Å; T46-I153 HydrophobicContact CG2-CG1 4.01Å; L82-I153 HydrophobicContact CD1-CG2 3.52Å; L85-I153 HydrophobicContact CB-CD1 4.05Å; L85-I153 HydrophobicContact CB-CG1 4.35Å; L85-I153 HydrophobicContact CD1-CG1 4.34Å; I86-I153 HydrophobicContact CG1-CD1 3.96Å; M97-I153 HydrophobicContact SD-CD1 4.37Å; M97-I153 HydrophobicContact SD-CG2 4.38Å; E149-I153 VanDerWaalsContact O-CG1 3.28Å; E149-I153 WeakPolarHBondContact O-CG1 3.36Å; E149-I153 PolarHBondContact O-N 3.29Å; E150-I153 PolarHBondContact O-N 2.93Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.34Å; I153-Q156 PolarHBondContact O-N 3.46Å; I153-I157 HydrophobicContact CG2-CG1 4.25Å; I153-I157 WeakPolarHBondContact O-CG1 3.47Å; I153-I157 PolarHBondContact O-N 2.93Å
154L93.1Very high88.8Confident0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-63-36.5-179.2-70.6169.4000112.6M97 L100 E150 Q156 I157 K158 L170 L171 I174M97-L154 HydrophobicContact CE-CD1 3.87Å; M97-L154 HydrophobicContact CE-CD2 4.09Å; M97-L154 HydrophobicContact CE-CG 3.84Å; L100-L154 HydrophobicContact CD2-CD2 4.21Å; E150-L154 WeakPolarHBondContact O-CB 3.47Å; E150-L154 VanDerWaalsContact O-CG 3.31Å; E150-L154 WeakPolarHBondContact O-CG 3.35Å; E150-L154 PolarHBondContact O-N 2.98Å; L154-Q156 PolarHBondContact O-N 3.36Å; L154-I157 PolarHBondContact O-N 3.36Å; L154-K158 PolarHBondContact O-N 3.24Å; L154-L170 HydrophobicContact CD1-CB 3.78Å; L154-L170 HydrophobicContact CD2-CB 3.92Å; L154-L170 HydrophobicContact CD2-CD1 3.8Å; L154-L171 HydrophobicContact CB-CD1 4.35Å; L154-L171 HydrophobicContact CB-CD2 3.7Å; L154-L171 HydrophobicContact CB-CG 3.77Å; L154-L171 HydrophobicContact CD1-CD2 4.28Å; L154-L171 HydrophobicContact CD1-CG 4.32Å; L154-I174 HydrophobicContact CD1-CD1 3.61Å
155K92.3Very high88.7Confident106 Ų10649.3 Ų49.346%0.46126%0.259SS..Hα-helixtrans-58.7-35.3174.3-175.7177.5178.7-1790111.9Y151 L152 I153Y151-K155 HydrophobicContact CE1-CD 4.17Å; Y151-K155 VanDerWaalsContact O-CB 3.25Å; Y151-K155 WeakPolarHBondContact O-CB 3.34Å; Y151-K155 PolarHBondContact O-N 3.29Å; L152-K155 PolarHBondContact O-N 3.43Å; I153-K155 VanDerWaalsContact C-N 3.3Å; I153-K155 PolarHBondContact O-N 3.34Å
156Q91.2Very high88.5Confident33 Ų3350.5 Ų50.515%0.15427%0.265CS..Hα-helixtrans-80-38.7175.2-55.9-49.5-20.400112.6I50 F53 V54 I57 L152 I153 L154 K158 N159I50-Q156 HydrophobicContact CD1-CG 3.83Å; I50-Q156 HydrophobicContact CG1-CG 4.09Å; F53-Q156 HydrophobicContact CD1-CB 3.93Å; F53-Q156 HydrophobicContact CD1-CG 4.43Å; F53-Q156 HydrophobicContact CE1-CB 3.94Å; V54-Q156 HydrophobicContact CG2-CG 3.76Å; I57-Q156 HydrophobicContact CD1-CB 3.89Å; I57-Q156 WeakPolarHBondContact CD1-O 3.46Å; L152-Q156 WeakPolarHBondContact O-CG 3.26Å; L152-Q156 PolarHBondContact O-N 2.99Å; I153-Q156 PolarHBondContact O-N 3.46Å; L154-Q156 PolarHBondContact O-N 3.36Å; Q156-K158 PolarHBondContact O-N 3.21Å; Q156-N159 WeakPolarHBondContact O-CB 3.44Å; Q156-N159 PolarHBondContact O-N 3.44Å
157I90.4Very high88.4Confident0 Ų048.8 Ų48.80%025%0.254CS..Hα-helixtrans-58.8-30.6176.2-65.9-70.3000111.9F53 L82 L100 F104 I153 L154 N159 L160 L163 A167F53-I157 HydrophobicContact CE1-CD1 3.99Å; F53-I157 HydrophobicContact CE1-CG1 4.36Å; F53-I157 HydrophobicContact CZ-CD1 3.62Å; F53-I157 HydrophobicContact CZ-CG1 4.46Å; L82-I157 HydrophobicContact CD1-CD1 4.01Å; L82-I157 HydrophobicContact CD1-CG1 4.45Å; L82-I157 HydrophobicContact CD2-CD1 4.07Å; L100-I157 HydrophobicContact CD1-CG2 4.24Å; L100-I157 HydrophobicContact CD2-CD1 4.41Å; L100-I157 HydrophobicContact CD2-CG1 4.05Å; F104-I157 HydrophobicContact CE2-CD1 4.13Å; F104-I157 HydrophobicContact CZ-CD1 4.41Å; I153-I157 HydrophobicContact CG2-CG1 4.25Å; I153-I157 WeakPolarHBondContact O-CG1 3.47Å; I153-I157 PolarHBondContact O-N 2.93Å; L154-I157 PolarHBondContact O-N 3.36Å; I157-N159 PolarHBondContact O-N 3.03Å; I157-L160 HydrophobicContact CD1-CD1 3.91Å; I157-L160 WeakPolarHBondContact O-CB 3.01Å; I157-L160 PolarHBondContact O-N 3.28Å; I157-L163 HydrophobicContact CG2-CB 3.97Å; I157-L163 HydrophobicContact CG2-CD1 4.35Å; I157-A167 HydrophobicContact CB-CB 4.44Å; I157-A167 HydrophobicContact CG2-CB 4.07Å
158K89.6Confident88.5Confident86 Ų8648.2 Ų48.237%0.37425%0.247SC..THydrogen-bonded Turntrans-57.1-15.8172.5-178.4172.9179.9157.40114.4L154 Q156 N164 A167 D168L154-K158 PolarHBondContact O-N 3.24Å; Q156-K158 PolarHBondContact O-N 3.21Å; K158-N164 PolarHBondContact O-OD1 3.26Å; K158-A167 HydrophobicContact CB-CB 4.13Å; K158-D168 WeakPolarHBondContact CD-OD1 3.39Å; K158-D168 VanDerWaalsContact CE-OD1 3.31Å; K158-D168 WeakPolarHBondContact CE-OD1 3.28Å; K158-D168 IonicContact NZ-OD1 2.72Å; K158-D168 PolarHBondContact NZ-OD1 3.23Å; K158-D168 IonicContact NZ-OD2 3.2Å; K158-D168 PolarHBondContact NZ-OD2 3.39Å
159N88.7Confident88.4Confident76 Ų7643.3 Ų43.341%0.40622%0.222SC..THydrogen-bonded Turntrans-91.20.6176.9-61.3-32.3000112.9I57 N61 Q156 I157I57-N159 HydrophobicContact CG2-CB 3.9Å; N61-N159 PolarHBondContact ND2-O 3.31Å; N61-N159 PolarHBondContact OD1-O 2.81Å; Q156-N159 WeakPolarHBondContact O-CB 3.44Å; Q156-N159 PolarHBondContact O-N 3.44Å; I157-N159 PolarHBondContact O-N 3.03Å
160L85.3Confident88.3Confident4 Ų443.2 Ų43.22%0.02122%0.222CC..SBendtrans-95.4125.3177.4-70.9170.9000111.4I57 F60 I78 F104 I157 N162 L163 N164I57-L160 HydrophobicContact CB-CD2 4.45Å; I57-L160 HydrophobicContact CD1-CG 4.43Å; I57-L160 HydrophobicContact CG1-CD1 4.48Å; I57-L160 HydrophobicContact CG1-CD2 4.07Å; I57-L160 HydrophobicContact CG1-CG 4.22Å; I57-L160 HydrophobicContact CG2-CD2 4.01Å; I57-L160 HydrophobicContact CG2-CG 4.3Å; F60-L160 HydrophobicContact CD1-CD2 3.46Å; F60-L160 VanDerWaalsContact CD1-CD2 3.46Å; F60-L160 HydrophobicContact CE1-CD2 3.81Å; F60-L160 HydrophobicContact CG-CD2 4.46Å; I78-L160 HydrophobicContact CD1-CD2 3.76Å; I78-L160 HydrophobicContact CG2-CD1 3.84Å; F104-L160 HydrophobicContact CZ-CD1 4.09Å; I157-L160 HydrophobicContact CD1-CD1 3.91Å; I157-L160 WeakPolarHBondContact O-CB 3.01Å; I157-L160 PolarHBondContact O-N 3.28Å; L160-N162 PolarHBondContact O-N 3.48Å; L160-L163 HydrophobicContact CB-CB 4.32Å; L160-L163 HydrophobicContact CB-CD1 3.98Å; L160-L163 HydrophobicContact CD1-CD1 3.99Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-L163 VanDerWaalsContact O-N 3.13Å; L160-N164 PolarHBondContact O-OD1 2.95Å
161P76Confident88.1Confident52 Ų5244 Ų4434%0.33823%0.226SC..THydrogen-bonded Turntrans-56.5143.4177.619.8-27.4000111.3F60 N61 I64 L163F60-P161 HydrophobicContact CE1-CG 4.09Å; N61-P161 WeakPolarHBondContact OD1-CD 3.3Å; I64-P161 HydrophobicContact CD1-CG 3.37Å; P161-L163 PolarHBondContact O-N 3.3Å
162N77.4Confident88Confident133 Ų13344.6 Ų44.671%0.71123%0.231SC*.THydrogen-bonded Turntrans75.5-12.8-174.5-47-32.6000116.3L160L160-N162 PolarHBondContact O-N 3.48Å
163L83.6Confident87.7Confident7 Ų743.5 Ų43.54%0.03723%0.226CC..THydrogen-bonded Turntrans-107.3-7.6-178.3-71.4163.9000114Y103 F104 I157 L160 P161 T165 L166 A167Y103-L163 HydrophobicContact CD1-CD2 3.74Å; Y103-L163 HydrophobicContact CE1-CD2 3.39Å; F104-L163 HydrophobicContact CE1-CD1 3.64Å; F104-L163 HydrophobicContact CE2-CD1 3.61Å; F104-L163 HydrophobicContact CE2-CD2 4.36Å; F104-L163 HydrophobicContact CZ-CD1 3.04Å; F104-L163 HydrophobicContact CZ-CD2 4.47Å; F104-L163 HydrophobicContact CZ-CG 4.36Å; I157-L163 HydrophobicContact CG2-CB 3.97Å; I157-L163 HydrophobicContact CG2-CD1 4.35Å; L160-L163 HydrophobicContact CB-CB 4.32Å; L160-L163 HydrophobicContact CB-CD1 3.98Å; L160-L163 HydrophobicContact CD1-CD1 3.99Å; L160-L163 PolarHBondContact O-N 3.48Å; L160-L163 VanDerWaalsContact O-N 3.13Å; P161-L163 PolarHBondContact O-N 3.3Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 3.36Å; L163-L166 HydrophobicContact CD2-CD2 3.99Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-A167 VanDerWaalsContact O-CB 3.32Å; L163-A167 WeakPolarHBondContact O-CB 3.33Å; L163-A167 PolarHBondContact O-N 3.28Å
164N84.3Confident87.2Confident66 Ų6643.8 Ų43.835%0.35323%0.227SC..Hα-helixtrans-55.8-46.9-176.9-57.3-4.5000112.3K158 L160 A167 D168K158-N164 PolarHBondContact O-OD1 3.26Å; L160-N164 PolarHBondContact O-OD1 2.95Å; N164-A167 PolarHBondContact O-N 3.44Å; N164-D168 WeakPolarHBondContact O-CB 3.43Å; N164-D168 PolarHBondContact O-N 3.36Å
165T87.3Confident86.7Confident114 Ų11448.7 Ų48.770%0.69925%0.25SC*.Hα-helixtrans-66.5-41.9-17951.10000111.7L163 S169L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 3.36Å; T165-S169 WeakPolarHBondContact O-CB 3.39Å; T165-S169 PolarHBondContact O-N 2.88Å
166L86.5Confident86.2Confident27 Ų2748.4 Ų48.414%0.14125%0.249CC..Hα-helixtrans-63.8-48175.7177.364.1000111F99 L100 Y103 L163 D168 S169 L170F99-L166 HydrophobicContact CD1-CD1 4.18Å; F99-L166 HydrophobicContact CE1-CD1 3.45Å; F99-L166 VanDerWaalsContact CE1-CD1 3.45Å; F99-L166 HydrophobicContact CE1-CD2 4.14Å; F99-L166 HydrophobicContact CE1-CG 4.39Å; F99-L166 HydrophobicContact CZ-CD1 4.32Å; L100-L166 HydrophobicContact CD1-CD2 4.17Å; Y103-L166 HydrophobicContact CD1-CD2 4.05Å; Y103-L166 HydrophobicContact CE1-CD2 4.42Å; Y103-L166 HydrophobicContact CG-CD2 4.11Å; L163-L166 HydrophobicContact CD2-CD2 3.99Å; L163-L166 PolarHBondContact O-N 3.45Å; L166-D168 PolarHBondContact O-N 2.78Å; L166-S169 WeakPolarHBondContact O-CB 3.28Å; L166-S169 PolarHBondContact O-N 2.9Å; L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.34Å; L166-L170 HydrophobicContact CG-CD1 4.17Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.38Å
167A88.7Confident85.7Confident0 Ų049.8 Ų49.80%026%0.257CS..Hα-helixtrans-60.5-43.8178.200000111.6I157 K158 L163 N164 S169 L170 L171I157-A167 HydrophobicContact CB-CB 4.44Å; I157-A167 HydrophobicContact CG2-CB 4.07Å; K158-A167 HydrophobicContact CB-CB 4.13Å; L163-A167 VanDerWaalsContact O-CB 3.32Å; L163-A167 WeakPolarHBondContact O-CB 3.33Å; L163-A167 PolarHBondContact O-N 3.28Å; N164-A167 PolarHBondContact O-N 3.44Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.27Å; A167-L170 PolarHBondContact O-N 3.13Å; A167-L171 WeakPolarHBondContact O-CB 3.02Å; A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.02Å
168D89.7Confident85.2Confident53 Ų5353.8 Ų53.828%0.28328%0.278SS..Hα-helixtrans-63.9-38.3176.3-83.4-28.3000112.1K158 N164 L166 K172K158-D168 WeakPolarHBondContact CD-OD1 3.39Å; K158-D168 VanDerWaalsContact CE-OD1 3.31Å; K158-D168 WeakPolarHBondContact CE-OD1 3.28Å; K158-D168 IonicContact NZ-OD1 2.72Å; K158-D168 PolarHBondContact NZ-OD1 3.23Å; K158-D168 IonicContact NZ-OD2 3.2Å; K158-D168 PolarHBondContact NZ-OD2 3.39Å; N164-D168 WeakPolarHBondContact O-CB 3.43Å; N164-D168 PolarHBondContact O-N 3.36Å; L166-D168 PolarHBondContact O-N 2.78Å; D168-K172 VanDerWaalsContact O-CG 3.32Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 3.09Å
169S87.8Confident84.5Confident14 Ų1453.8 Ų53.810%0.09828%0.282CS..Hα-helixtrans-62.4-49.5173.8-174.80000111.3T165 L166 A167 L171 K172 T173T165-S169 WeakPolarHBondContact O-CB 3.39Å; T165-S169 PolarHBondContact O-N 2.88Å; L166-S169 WeakPolarHBondContact O-CB 3.28Å; L166-S169 PolarHBondContact O-N 2.9Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-S169 PolarHBondContact O-N 3.27Å; S169-L171 PolarHBondContact O-N 3.49Å; S169-K172 WeakPolarHBondContact O-CB 3.45Å; S169-K172 PolarHBondContact O-N 2.84Å; S169-T173 PolarHBondContact O-N 3.2Å
170L88.9Confident83.8Confident1 Ų156.1 Ų56.11%0.00529%0.29CS..Hα-helixtrans-64.6-38.6178.6-66.9175000111.9R96 F99 L154 L166 A167 K172 T173 I174R96-L170 HydrophobicContact CB-CD2 4.37Å; R96-L170 HydrophobicContact CG-CD2 4.3Å; F99-L170 HydrophobicContact CD1-CD1 4.44Å; L154-L170 HydrophobicContact CD1-CB 3.78Å; L154-L170 HydrophobicContact CD2-CB 3.92Å; L154-L170 HydrophobicContact CD2-CD1 3.8Å; L166-L170 HydrophobicContact CD1-CD1 4.26Å; L166-L170 HydrophobicContact CD1-CG 4.34Å; L166-L170 HydrophobicContact CG-CD1 4.17Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.38Å; A167-L170 PolarHBondContact O-N 3.13Å; L170-K172 VanDerWaalsContact C-N 3.33Å; L170-K172 PolarHBondContact O-N 3.13Å; L170-T173 PolarHBondContact O-N 3.15Å; L170-T173 VanDerWaalsContact O-N 3.15Å; L170-T173 PolarHBondContact O-OG1 3.13Å; L170-I174 PolarHBondContact O-N 3.08Å
171L90.1Very high83.2Confident19 Ų1961.9 Ų61.910%0.09932%0.317CS..Hα-helixtrans-61.1-41174.6-79.5167.1000112Y151 L154 A167 S169 T173 I174 Q175Y151-L171 HydrophobicContact CD2-CD2 3.58Å; Y151-L171 HydrophobicContact CE2-CD2 3.89Å; Y151-L171 HydrophobicContact CG-CD2 4.37Å; L154-L171 HydrophobicContact CB-CD1 4.35Å; L154-L171 HydrophobicContact CB-CD2 3.7Å; L154-L171 HydrophobicContact CB-CG 3.77Å; L154-L171 HydrophobicContact CD1-CD2 4.28Å; L154-L171 HydrophobicContact CD1-CG 4.32Å; A167-L171 WeakPolarHBondContact O-CB 3.02Å; A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.02Å; S169-L171 PolarHBondContact O-N 3.49Å; L171-T173 VanDerWaalsContact C-N 3.29Å; L171-T173 PolarHBondContact O-N 2.97Å; L171-I174 PolarHBondContact O-N 3.08Å; L171-Q175 WeakPolarHBondContact O-CG 3.39Å; L171-Q175 PolarHBondContact O-N 3.38Å; L171-Q175 VanDerWaalsContact O-N 3.1Å
172K89.4Confident83Confident111 Ų11163.9 Ų63.948%0.48332%0.323SS..Hα-helixtrans-60.5-39.7174.5-74.1170.7-177.2176.90111.5D168 S169 L170 I174 Q175 F176D168-K172 VanDerWaalsContact O-CG 3.32Å; D168-K172 WeakPolarHBondContact O-CG 3.43Å; D168-K172 PolarHBondContact O-N 3.09Å; S169-K172 WeakPolarHBondContact O-CB 3.45Å; S169-K172 PolarHBondContact O-N 2.84Å; L170-K172 VanDerWaalsContact C-N 3.33Å; L170-K172 PolarHBondContact O-N 3.13Å; K172-I174 VanDerWaalsContact C-N 3.32Å; K172-I174 PolarHBondContact O-N 2.87Å; K172-Q175 WeakPolarHBondContact O-CB 3.4Å; K172-Q175 PolarHBondContact O-N 3.28Å; K172-Q175 VanDerWaalsContact O-N 3.14Å; K172-F176 HydrophobicContact CB-CD2 4.41Å; K172-F176 HydrophobicContact CB-CE2 4.03Å; K172-F176 WeakPolarHBondContact O-CD2 3.41Å; K172-F176 WeakPolarHBondContact O-CG 3.24Å; K172-F176 PolarHBondContact O-N 3.23Å
173T86.7Confident82.6Confident12 Ų1261.8 Ų61.87%0.07431%0.313CS..Hα-helixtrans-60.6-40.517767.90000112.5R96 S169 L170 L171 Q175 F176 D177 I404R96-T173 WeakPolarHBondContact CD-OG1 3.32Å; S169-T173 PolarHBondContact O-N 3.2Å; L170-T173 PolarHBondContact O-N 3.15Å; L170-T173 VanDerWaalsContact O-N 3.15Å; L170-T173 PolarHBondContact O-OG1 3.13Å; L171-T173 VanDerWaalsContact C-N 3.29Å; L171-T173 PolarHBondContact O-N 2.97Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.05Å; T173-F176 PolarHBondContact O-N 2.97Å; T173-D177 PolarHBondContact O-N 2.82Å; T173-D177 VanDerWaalsContact O-N 3.08Å; T173-I404 HydrophobicContact CG2-CG2 4.44Å
174I84.6Confident81.8Confident5 Ų565.5 Ų65.53%0.02634%0.335CS..Hα-helixtrans-64-40.5174.8-62.7175.1000111.1E150 L154 L170 L171 K172 F176 D177 L178E150-I174 HydrophobicContact CB-CD1 3.8Å; L154-I174 HydrophobicContact CD1-CD1 3.61Å; L170-I174 PolarHBondContact O-N 3.08Å; L171-I174 PolarHBondContact O-N 3.08Å; K172-I174 VanDerWaalsContact C-N 3.32Å; K172-I174 PolarHBondContact O-N 2.87Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 3.4Å; I174-D177 PolarHBondContact O-N 3.47Å; I174-L178 HydrophobicContact CG2-CD1 4.29Å; I174-L178 WeakPolarHBondContact O-CG 2.91Å; I174-L178 PolarHBondContact O-N 3.39Å; I174-L178 VanDerWaalsContact O-N 3.16Å
175Q83.1Confident80.8Confident103 Ų10365.8 Ų65.848%0.48134%0.339SS..Hα-helixtrans-64-37.8176.7-69.7178.8-21.400112.1L171 K172 T173 L178 I179L171-Q175 WeakPolarHBondContact O-CG 3.39Å; L171-Q175 PolarHBondContact O-N 3.38Å; L171-Q175 VanDerWaalsContact O-N 3.1Å; K172-Q175 WeakPolarHBondContact O-CB 3.4Å; K172-Q175 PolarHBondContact O-N 3.28Å; K172-Q175 VanDerWaalsContact O-N 3.14Å; T173-Q175 VanDerWaalsContact C-N 3.34Å; T173-Q175 PolarHBondContact O-N 3.05Å; Q175-L178 PolarHBondContact O-N 3.35Å; Q175-I179 WeakPolarHBondContact O-CD1 3.38Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.45Å; Q175-I179 PolarHBondContact O-N 3.43Å
176F81.9Confident79.4Confident100 Ų10064 Ų6444%0.43933%0.326SS..Hα-helixtrans-64.1-45.6175.4-71.9-59.5000111.8K172 T173 I174 L178 I179 E180K172-F176 HydrophobicContact CB-CD2 4.41Å; K172-F176 HydrophobicContact CB-CE2 4.03Å; K172-F176 WeakPolarHBondContact O-CD2 3.41Å; K172-F176 WeakPolarHBondContact O-CG 3.24Å; K172-F176 PolarHBondContact O-N 3.23Å; T173-F176 PolarHBondContact O-N 2.97Å; I174-F176 VanDerWaalsContact C-N 3.32Å; I174-F176 PolarHBondContact O-N 3.4Å; F176-L178 VanDerWaalsContact C-N 3.28Å; F176-L178 PolarHBondContact O-N 2.92Å; F176-I179 PolarHBondContact O-N 3.46Å; F176-I179 VanDerWaalsContact O-N 3.12Å; F176-E180 PolarHBondContact O-N 3.3Å
177D80.6Confident77.4Confident63 Ų6367.7 Ų67.734%0.33734%0.343SS..Hα-helixtrans-55.7-45176.4-64.9-9.4000111.1R96 T173 I174 I179 E180 E181R96-D177 IonicContact CZ-OD2 3.27Å; R96-D177 IonicContact NH1-OD2 2.96Å; R96-D177 PolarHBondContact NH1-OD2 2.71Å; R96-D177 IonicContact NH2-OD2 3.4Å; T173-D177 PolarHBondContact O-N 2.82Å; T173-D177 VanDerWaalsContact O-N 3.08Å; I174-D177 PolarHBondContact O-N 3.47Å; D177-I179 PolarHBondContact O-N 2.99Å; D177-E180 PolarHBondContact O-N 3.01Å; D177-E181 WeakPolarHBondContact O-CG 3.38Å; D177-E181 PolarHBondContact O-N 2.81Å
178L79.7Confident75.3Confident83 Ų8371.5 Ų71.544%0.43536%0.364SS..Hα-helixtrans-64.2-39.2177.9-71.2168000112.8I174 Q175 F176 E181 I182I174-L178 HydrophobicContact CG2-CD1 4.29Å; I174-L178 WeakPolarHBondContact O-CG 2.91Å; I174-L178 PolarHBondContact O-N 3.39Å; I174-L178 VanDerWaalsContact O-N 3.16Å; Q175-L178 PolarHBondContact O-N 3.35Å; F176-L178 VanDerWaalsContact C-N 3.28Å; F176-L178 PolarHBondContact O-N 2.92Å; L178-E181 PolarHBondContact O-N 2.92Å; L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.09Å; L178-I182 PolarHBondContact O-N 3.04Å; L178-I182 VanDerWaalsContact O-N 3.08Å
179I74.5Confident73.3Confident87 Ų8773.8 Ų73.845%0.44638%0.375SS..Hα-helixtrans-67.6-40.4177.1-69.1164.8000110.4Q175 F176 D177 I182 N183Q175-I179 WeakPolarHBondContact O-CD1 3.38Å; Q175-I179 VanDerWaalsContact O-CG1 3.26Å; Q175-I179 WeakPolarHBondContact O-CG1 3.45Å; Q175-I179 PolarHBondContact O-N 3.43Å; F176-I179 PolarHBondContact O-N 3.46Å; F176-I179 VanDerWaalsContact O-N 3.12Å; D177-I179 PolarHBondContact O-N 2.99Å; I179-I182 PolarHBondContact O-N 3.44Å; I179-N183 WeakPolarHBondContact O-CB 3.3Å; I179-N183 VanDerWaalsContact O-CG 3.27Å; I179-N183 PolarHBondContact O-N 3.37Å; I179-N183 PolarHBondContact O-ND2 2.98Å
180E73.5Confident71.1Confident125 Ų12578.6 Ų78.658%0.58440%0.398SS*.Hα-helixtrans-62.9-43175.7-73.3-171.5178.700111.6F176 D177 I182 N183 V184F176-E180 PolarHBondContact O-N 3.3Å; D177-E180 PolarHBondContact O-N 3.01Å; E180-I182 PolarHBondContact O-N 3.46Å; E180-N183 PolarHBondContact O-N 2.94Å; E180-V184 VanDerWaalsContact O-CG2 3.32Å; E180-V184 WeakPolarHBondContact O-CG2 3.37Å; E180-V184 PolarHBondContact O-N 3.3Å
181E72.9Confident68.6Low124 Ų12484.6 Ų84.658%0.57943%0.426SS*.Hα-helixtrans-59.4-43.4174-73.9-178.4-178.400112.3D177 L178 N183 V184 T185D177-E181 WeakPolarHBondContact O-CG 3.38Å; D177-E181 PolarHBondContact O-N 2.81Å; L178-E181 PolarHBondContact O-N 2.92Å; E181-N183 PolarHBondContact O-N 3.45Å; E181-V184 PolarHBondContact O-N 3.38Å; E181-T185 WeakPolarHBondContact O-CB 2.98Å; E181-T185 VanDerWaalsContact O-CG2 3.29Å; E181-T185 WeakPolarHBondContact O-CG2 3.14Å; E181-T185 PolarHBondContact O-N 3.18Å; E181-T185 PolarHBondContact O-OG1 2.94Å
182I72.7Confident65.9Low94 Ų9489.1 Ų89.148%0.48245%0.45SS..Hα-helixtrans-64.2-40.8176.2-68.5165.9000111.1L178 I179 E180 T185 N186L178-I182 VanDerWaalsContact O-CG1 3.29Å; L178-I182 WeakPolarHBondContact O-CG1 3.09Å; L178-I182 PolarHBondContact O-N 3.04Å; L178-I182 VanDerWaalsContact O-N 3.08Å; I179-I182 PolarHBondContact O-N 3.44Å; E180-I182 PolarHBondContact O-N 3.46Å; I182-T185 WeakPolarHBondContact CA-OG1 3.06Å; I182-T185 PolarHBondContact O-OG1 2.67Å; I182-N186 VanDerWaalsContact O-CB 3.32Å; I182-N186 WeakPolarHBondContact O-CB 3.37Å; I182-N186 PolarHBondContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 3.31Å; I182-N186 VanDerWaalsContact O-ND2 3.16Å
183N67.9Low63.3Low90 Ų9090.4 Ų90.448%0.48146%0.456SS..Hα-helixtrans-68.4-41.5179.3-73.1-26.7000112I179 E180 E181 N186 M187I179-N183 WeakPolarHBondContact O-CB 3.3Å; I179-N183 VanDerWaalsContact O-CG 3.27Å; I179-N183 PolarHBondContact O-N 3.37Å; I179-N183 PolarHBondContact O-ND2 2.98Å; E180-N183 PolarHBondContact O-N 2.94Å; E181-N183 PolarHBondContact O-N 3.45Å; N183-N186 PolarHBondContact O-N 3.3Å; N183-M187 WeakPolarHBondContact O-CB 3.15Å; N183-M187 VanDerWaalsContact O-CG 3.24Å; N183-M187 WeakPolarHBondContact O-CG 3.43Å; N183-M187 PolarHBondContact O-N 3.37Å
184V67.1Low60.6Low84 Ų8496.8 Ų96.851%0.50949%0.49SS..Hα-helixtrans-65-44.4176.3172.40000111E180 E181 M187 N188E180-V184 VanDerWaalsContact O-CG2 3.32Å; E180-V184 WeakPolarHBondContact O-CG2 3.37Å; E180-V184 PolarHBondContact O-N 3.3Å; E181-V184 PolarHBondContact O-N 3.38Å; V184-M187 PolarHBondContact O-N 2.79Å; V184-N188 VanDerWaalsContact O-CG 3.31Å; V184-N188 PolarHBondContact O-N 3.31Å
185T62.7Low57.8Low72 Ų72103.5 Ų103.544%0.44253%0.525SS..Hα-helixtrans-63.7-42.3177.250.20000111.9E181 I182 M187 N188 I189E181-T185 WeakPolarHBondContact O-CB 2.98Å; E181-T185 VanDerWaalsContact O-CG2 3.29Å; E181-T185 WeakPolarHBondContact O-CG2 3.14Å; E181-T185 PolarHBondContact O-N 3.18Å; E181-T185 PolarHBondContact O-OG1 2.94Å; I182-T185 WeakPolarHBondContact CA-OG1 3.06Å; I182-T185 PolarHBondContact O-OG1 2.67Å; T185-M187 VanDerWaalsContact C-N 3.35Å; T185-M187 PolarHBondContact O-N 3.46Å; T185-N188 PolarHBondContact O-N 2.76Å; T185-I189 WeakPolarHBondContact O-CD1 3.1Å; T185-I189 VanDerWaalsContact O-CG1 3.25Å; T185-I189 WeakPolarHBondContact O-CG1 3.31Å; T185-I189 PolarHBondContact O-N 3.35Å
186N58.8Low55.2Low78 Ų78109.2 Ų109.242%0.41754%0.544SS..Hα-helixtrans-61.5-41.1173.4-75.1-28.3000112.2I182 N183 I189 I190I182-N186 VanDerWaalsContact O-CB 3.32Å; I182-N186 WeakPolarHBondContact O-CB 3.37Å; I182-N186 PolarHBondContact O-N 3.11Å; I182-N186 PolarHBondContact O-ND2 3.31Å; I182-N186 VanDerWaalsContact O-ND2 3.16Å; N183-N186 PolarHBondContact O-N 3.3Å; N186-I189 PolarHBondContact O-N 3.43Å; N186-I190 WeakPolarHBondContact O-CD1 3.37Å; N186-I190 WeakPolarHBondContact O-CG1 3.37Å; N186-I190 PolarHBondContact O-N 3.27Å
187M43.9Very low52.5Low103 Ų103116 Ų11651%0.50757%0.566SS.*Hα-helixtrans-64.7-39.6176.3-74.8-64.5-67.400112.5N183 V184 T185 I190 Q191N183-M187 WeakPolarHBondContact O-CB 3.15Å; N183-M187 VanDerWaalsContact O-CG 3.24Å; N183-M187 WeakPolarHBondContact O-CG 3.43Å; N183-M187 PolarHBondContact O-N 3.37Å; V184-M187 PolarHBondContact O-N 2.79Å; T185-M187 VanDerWaalsContact C-N 3.35Å; T185-M187 PolarHBondContact O-N 3.46Å; M187-I190 PolarHBondContact O-N 3.02Å; M187-Q191 WeakPolarHBondContact O-CG 3.26Å; M187-Q191 PolarHBondContact O-N 3.34Å
188N44.7Very low49.8Very low80 Ų80120.8 Ų120.843%0.42859%0.591SS.*Hα-helixtrans-68.2-40.2176.8-68.5-14.1000111.7V184 T185 I190 Q191 D192V184-N188 VanDerWaalsContact O-CG 3.31Å; V184-N188 PolarHBondContact O-N 3.31Å; T185-N188 PolarHBondContact O-N 2.76Å; N188-I190 PolarHBondContact O-N 3.22Å; N188-Q191 PolarHBondContact O-N 3.35Å; N188-Q191 VanDerWaalsContact O-N 3.13Å; N188-D192 WeakPolarHBondContact O-CB 3.35Å; N188-D192 PolarHBondContact O-N 3.29Å
189I47.9Very low47Very low101 Ų101122.5 Ų122.552%0.51861%0.607SS.*Hα-helixtrans-63.1-32.7174.3-66.5163.2000111.6T185 N186T185-I189 WeakPolarHBondContact O-CD1 3.1Å; T185-I189 VanDerWaalsContact O-CG1 3.25Å; T185-I189 WeakPolarHBondContact O-CG1 3.31Å; T185-I189 PolarHBondContact O-N 3.35Å; N186-I189 PolarHBondContact O-N 3.43Å
190I41.5Very low44.6Very low115 Ų115122.8 Ų122.859%0.5962%0.622SS**Hα-helixtrans-72.5-35.2175.6-66.7162.4000111N186 M187 N188N186-I190 WeakPolarHBondContact O-CD1 3.37Å; N186-I190 WeakPolarHBondContact O-CG1 3.37Å; N186-I190 PolarHBondContact O-N 3.27Å; M187-I190 PolarHBondContact O-N 3.02Å; N188-I190 PolarHBondContact O-N 3.22Å
191Q35.9Very low42Very low127 Ų127122.6 Ų122.659%0.59363%0.633SS**Hα-helixtrans-77.7-30.2178.6-71.4178.911.800113.7M187 N188 K193M187-Q191 WeakPolarHBondContact O-CG 3.26Å; M187-Q191 PolarHBondContact O-N 3.34Å; N188-Q191 PolarHBondContact O-N 3.35Å; N188-Q191 VanDerWaalsContact O-N 3.13Å; Q191-K193 VanDerWaalsContact C-N 3.29Å; Q191-K193 PolarHBondContact O-N 3.17Å
192D34.4Very low39.6Very low114 Ų114121.2 Ų121.261%0.6164%0.637SS**G310 helixtrans-80.3-0.2-176.8-83.1-25.8000114.9N188 D194N188-D192 WeakPolarHBondContact O-CB 3.35Å; N188-D192 PolarHBondContact O-N 3.29Å; D192-D194 PolarHBondContact O-N 3.19Å
193K35.2Very low37.2Very low138 Ų138122 Ų12260%0.665%0.646SS**G310 helixtrans-74.3-5.3175.8-81.1-177.1-179.9172.30114.8Q191Q191-K193 VanDerWaalsContact C-N 3.29Å; Q191-K193 PolarHBondContact O-N 3.17Å
194D28.7Very low34.9Very low147 Ų147126 Ų12679%0.78667%0.667SS**G310 helixtrans-100.712-177.9-73.1-24.4000115.2D192D192-D194 PolarHBondContact O-N 3.19Å
195L27.2Very low32.7Very low146 Ų146130.3 Ų130.376%0.76468%0.675SS**  trans-105.169.1173.8-77.6161.9000112.6R197L195-R197 PolarHBondContact O-N 3.45Å; L195-R197 VanDerWaalsContact O-N 3.08Å
196Y27.9Very low30.7Very low223 Ų223134.9 Ų134.988%0.87569%0.689SS**  trans-66.397.9156.9-93-89.8000109.9
197R24.3Very low28.9Very low241 Ų241137.9 Ų137.991%0.90971%0.705SS**  trans-178.591.6142.4-104.1176.5-177-163.81.4109.2L195 P199L195-R197 PolarHBondContact O-N 3.45Å; L195-R197 VanDerWaalsContact O-N 3.08Å; R197-P199 WeakPolarHBondContact O-CD 3.38Å
198I23.8Very low27.8Very low165 Ų165139.6 Ų139.685%0.84672%0.717SS**  trans-95.6114.9167-60.6169.5000107.4
199P22.3Very low26.7Very low119 Ų119142.5 Ų142.577%0.77373%0.732SS**  trans-83.8126.4153.3-4.523.3000108.9R197R197-P199 WeakPolarHBondContact O-CD 3.38Å
200A22.7Very low25.6Very low93 Ų93145.1 Ų145.177%0.76975%0.747SS**  trans-64.2131.3172.400000111.5
201C20.2Very low24.7Very low120 Ų120143.4 Ų143.481%0.81175%0.75SS**  trans-150.7111.1150.7-1130000110.6
202S23.1Very low23.9Very low95 Ų95143.7 Ų143.766%0.66476%0.76SS**  trans63.696.5136.8-80000118.5
203T20.7Very low23.3Very low110 Ų110143.8 Ų143.868%0.67577%0.77SS**  62.1118.891.853.80000116.2
204L21.2Very low22.5Very low175 Ų175142.3 Ų142.392%0.91678%0.777SS**  trans-179.285.3148.7-92.1155.7000106
205Y20Very low22.2Very low174 Ų174144.3 Ų144.368%0.68278%0.779SS**  61.2120.171.9-93.2-63.3000117.5
206F19.7Very low21.8Very low169 Ų169144.5 Ų144.574%0.74178%0.776SS**  trans77.2139.4152.7-63.3-60.2000118.5
207N21.7Very low21.4Very low140 Ų140140.2 Ų140.275%0.74977%0.768SS**  cis-157.1143.121-120.5-13.3000112.2
208N20.4Very low21.3Very low140 Ų140135.6 Ų135.675%0.74976%0.76SS**  trans-79.5150.6157.7-75-32.7000109.3
209N22.9Very low21.5Very low141 Ų141133.4 Ų133.475%0.75476%0.757SS**  167.6152.6120-84.8-11.7000113
210D24.3Very low21.6Very low156 Ų156132 Ų13283%0.83475%0.748SS**  trans81.6136.1159.5-52.6-28.9000118
211A22.5Very low21.6Very low78 Ų78136 Ų13665%0.64575%0.75SS**  cis-171142.7-14.100000107.1
212T20Very low21.7Very low133 Ų133138 Ų13882%0.81675%0.751SS**  trans53.3113.1142.457.70000122.2
213S21.1Very low21.4Very low117 Ų117141.5 Ų141.582%0.81876%0.759SS**  -172.5104.1120.741.10000112.5
214S17.5Very low21.4Very low106 Ų106143.1 Ų143.174%0.74176%0.763SS**  trans3.6128.3146.643.90000121.1
215F22.3Very low21.4Very low190 Ų190141.6 Ų141.683%0.83376%0.756SS**  trans-159.7113.9130.6-105.3-78.3000112.2
216E19.4Very low21.4Very low150 Ų150143.2 Ų143.270%0.70177%0.767SS**  trans46.4118.8144.4-76179.1134.300126.1
217L19.8Very low21.5Very low133 Ų133144 Ų14470%0.69678%0.775SS**  76.997.4123.4-67163.3000123.1
218L22.9Very low21.6Very low144 Ų144142.9 Ų142.975%0.75478%0.778SS**  trans55.7157.9131.9-88.2102.3000122.4
219P27.7Very low21.7Very low119 Ų119140.6 Ų140.677%0.77377%0.773SS**  cis-125.7164.610.336.7-18.6000116.6
220P24.3Very low21.6Very low90 Ų90141.6 Ų141.658%0.58478%0.778SS**  trans-91144.8-178.236.1-30.7000111.4
221Q21.6Very low21.5Very low176 Ų176139.3 Ų139.382%0.82277%0.774SS**  trans-166.8149.4135.8-76.7-40.5-36.100109.7
222I21.8Very low21.6Very low162 Ų162145.8 Ų145.883%0.83178%0.782SS**  trans89.876.3173.5-48168.8000114.5
223M17.8Very low21.8Very low168 Ų168146.2 Ų146.283%0.82878%0.778SS**  trans-53.9161.6148.9-83-84.3141.600113.5
224L20.6Very low21.7Very low144 Ų144150.2 Ų150.275%0.75478%0.781SS**  trans77.9106.7173.4-89.477000114.3
225N21.5Very low21.9Very low144 Ų144151.6 Ų151.677%0.7778%0.78SS**  -161.9138.257.6-97-28.5000112.2M227N225-M227 PolarHBondContact O-N 2.81Å
226K20.7Very low21.9Very low208 Ų208147.4 Ų147.490%0.90477%0.774SS**  trans-51.4115.3160.9-72.2171.5172.7176.30108.9
227M21.7Very low22Very low186 Ų186151.6 Ų151.692%0.91679%0.785SS**  -175.990127.9-96.1-169.5179.300107.9N225 S229N225-M227 PolarHBondContact O-N 2.81Å; M227-S229 PolarHBondContact O-N 3.47Å
228S22Very low22Very low115 Ų115150.8 Ų150.880%0.80479%0.789SS**  trans-57.3121.3157.11720000108.2
229S23.2Very low21.9Very low92 Ų92152.1 Ų152.164%0.64380%0.797SS**SBend162.1124.1112.5-59.30000109.1M227M227-S229 PolarHBondContact O-N 3.47Å
230N21.3Very low21.6Very low162 Ų162151.8 Ų151.887%0.86680%0.797SS**  trans96.449.7168.4-50.2-20.7000117.6
231S22.9Very low21.5Very low108 Ų108154.7 Ų154.776%0.75581%0.807SS**  trans-93.6112146.656.80000106.5
232R22.7Very low21.5Very low214 Ų214155.2 Ų155.281%0.80881%0.81SS**  23.3102.379.4-71.7-171.1-161.1153.68.4110.9
233I24.4Very low21.5Very low143 Ų143155.1 Ų155.173%0.73381%0.809SS**  -167.289120.4-81.2137.6000105.1
234F20Very low21.6Very low200 Ų200154 Ų15488%0.87781%0.806SS**  trans-68.6138.1136.9-137.3-98.7000105.5
235N21.8Very low21.6Very low136 Ų136152.4 Ų152.473%0.72780%0.803SS**  trans97.976.4-178.5-56.6-21.1000116.9
236S21.3Very low21.6Very low102 Ų102154.7 Ų154.771%0.71381%0.806SS**  trans-157.367132.371.80000111.2
237Y21.7Very low21.7Very low237 Ų237153.4 Ų153.493%0.92980%0.802SS**  trans-99.815.1163-99.7-75000113.2
238C20.3Very low21.7Very low116 Ų116149 Ų14978%0.78479%0.79SS**SBendtrans-122.481.2163.6-73.80000109.1
239L20.2Very low21.8Very low173 Ų173150.4 Ų150.491%0.90679%0.788SS**  trans-170.688.5138.8-123.981.7000109.7
240S22Very low21.8Very low112 Ų112152 Ų15278%0.78379%0.79SS**  trans-137.758156.464.30000109
241N21.2Very low22.1Very low150 Ų150150 Ų15080%0.80279%0.788SS**  trans-109.786.1150.4-87.5-9.7000106.2I243N241-I243 PolarHBondContact O-N 2.94Å
242Q21.5Very low22.3Very low188 Ų188149.9 Ų149.988%0.87978%0.783SS**  trans-64.895.1157.4-76.4176.4-17.100106.5L244Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.37Å
243I22.7Very low22.3Very low159 Ų159149.4 Ų149.482%0.81579%0.788SS**  trans-66.899.7161.5-67.4173.3000105.8N241N241-I243 PolarHBondContact O-N 2.94Å
244L19.8Very low22.3Very low145 Ų145150.5 Ų150.576%0.75979%0.793SS**  trans-70.6144.6160.9-153.978.2000108.3Q242Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.37Å
245T21.4Very low22.5Very low111 Ų111146.5 Ų146.568%0.68178%0.777SS**  trans79.593.9162.473.60000118.7
246K20.2Very low22.5Very low192 Ų192144.8 Ų144.884%0.83577%0.774SS**  25.8110.5114.6-66.8178.4176.8178.70114.9
247H23.8Very low22.6Very low180 Ų180147.5 Ų147.583%0.83378%0.78SS**  -170.3126.1109.2-99.2-76.6000110.3
248S22Very low22.8Very low94 Ų94142.5 Ų142.566%0.65777%0.77SS**  trans48.8111.2152.357.70000120.7
249N23.5Very low22.9Very low144 Ų144141.7 Ų141.777%0.7776%0.757SS**  trans65.3114.4130.6-61.15.8000119.5
250D23.5Very low23.2Very low127 Ų127138.8 Ų138.868%0.67975%0.747SS**  trans7697.6135.1-57.3-22.6000118.1T252D250-T252 PolarHBondContact O-N 2.86Å
251S28.3Very low23.3Very low118 Ų118142.7 Ų142.783%0.82575%0.75SS**SBendtrans51.459.9134.365.90000117
252T26.8Very low23.4Very low107 Ų107141.6 Ų141.666%0.65674%0.744SS**  trans-136.82.3161.446.80000114.7D250 I254 H255D250-T252 PolarHBondContact O-N 2.86Å; T252-I254 PolarHBondContact O-N 3.3Å; T252-H255 PolarHBondContact O-N 3.15Å
253F22.5Very low23.5Very low204 Ų204139.5 Ų139.590%0.89574%0.739SS**THydrogen-bonded Turntrans-74.5-10.5-178.4-155.6-101.4000114.5
254I24.4Very low23.5Very low166 Ų166144.1 Ų144.185%0.85175%0.747SS**THydrogen-bonded Turntrans-101.1-3.7178.6-64.4-80000112.9T252T252-I254 PolarHBondContact O-N 3.3Å
255H23Very low23.5Very low116 Ų116142.1 Ų142.154%0.53774%0.741SS.*THydrogen-bonded Turntrans-106.6-11.8178.3-147.7-87000115.7T252 L257 D259T252-H255 PolarHBondContact O-N 3.15Å; H255-L257 VanDerWaalsContact C-N 3.31Å; H255-L257 PolarHBondContact O-N 3.15Å; H255-D259 IonicContact CE1-OD1 3.77Å; H255-D259 IonicContact CE1-OD2 2.98Å; H255-D259 PolarHBondContact CE1-OD2 3.42Å; H255-D259 IonicContact ND1-OD2 2.92Å; H255-D259 PolarHBondContact ND1-OD2 3.47Å
256C23.1Very low23.5Very low99 Ų99143 Ų14367%0.66975%0.746SS**THydrogen-bonded Turntrans-838.9-176.5-80.70000116.3
257L22.1Very low23.7Very low159 Ų159140.3 Ų140.383%0.83275%0.745SS**THydrogen-bonded Turntrans-107.6-2.5172.2-79.5172.9000114.6H255H255-L257 VanDerWaalsContact C-N 3.31Å; H255-L257 PolarHBondContact O-N 3.15Å
258N25.9Very low23.5Very low133 Ų133139.1 Ų139.171%0.71175%0.746SS**THydrogen-bonded Turntrans-112.5-2.8174.8-80.9-16.4000115.2
259D23.9Very low23.5Very low98 Ų98140.9 Ų140.952%0.52475%0.748SS.*SBendtrans-111.53.8178.8-70.5-20.9000115.2H255H255-D259 IonicContact CE1-OD1 3.77Å; H255-D259 IonicContact CE1-OD2 2.98Å; H255-D259 PolarHBondContact CE1-OD2 3.42Å; H255-D259 IonicContact ND1-OD2 2.92Å; H255-D259 PolarHBondContact ND1-OD2 3.47Å
260T25.6Very low23.3Very low112 Ų112140.7 Ų140.769%0.68775%0.747SS**SBendtrans-92.52.9173.7110000114.4
261F24.1Very low23.2Very low194 Ų194142.8 Ų142.885%0.85176%0.756SS**SBendtrans-1110.7178.8-105-83.1000116.2
262D24.1Very low22.9Very low127 Ų127140 Ų14068%0.67975%0.745SS**SBendtrans-122.622.2176.9-83.8-31.3000115
263N23.6Very low22.6Very low145 Ų145143.4 Ų143.478%0.77575%0.754SS**SBendtrans-119.422.2176.3-86.6-23.7000116.3
264W21.5Very low22.5Very low256 Ų256139.9 Ų139.997%0.9774%0.744SS**SBendtrans-117.212.5160.5-143.6-25.2000114.8
265T20.8Very low22.4Very low103 Ų103140.7 Ų140.763%0.63274%0.742SS**SBendtrans-133.6106.7164.448.30000109.4
266T21.6Very low22.2Very low130 Ų130146 Ų14680%0.79876%0.764SS**SBendtrans10180.9169.568.60000117.5
267T23Very low21.9Very low134 Ų134145.6 Ų145.682%0.82276%0.762SS**  trans-160.753.1131.537.30000110.4N269T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 2.83Å
268N20.9Very low21.8Very low156 Ų156143.1 Ų143.183%0.83476%0.758SS**  trans-77.697.3135.1-95.7-11.3000104.5
269N20.8Very low21.5Very low131 Ų131143 Ų14370%0.70176%0.762SS**  trans166115.7149.8-84.1-20.1000110.5T267T267-N269 VanDerWaalsContact C-N 3.31Å; T267-N269 PolarHBondContact O-N 2.83Å
270N20.6Very low21.2Very low140 Ų140145.4 Ų145.475%0.74978%0.78SS**  trans72.7113.1147.4-53-27.5000117.6
271I21.2Very low20.8Very low171 Ų171144.8 Ų144.888%0.87778%0.78SS**  -176.5134.395.8-85.3150.6000110.2
272G20.9Very low20.5Very low58 Ų58140 Ų14060%0.59877%0.771SS**  trans87.991.7149.900000115.2
273Q20.6Very low20.3Very low179 Ų179141.4 Ų141.484%0.83678%0.776SS**  68.2127.888.9-74.6-174.2-21.300114.5
274D20.5Very low20.5Very low131 Ų131139.8 Ų139.870%0.70177%0.774SS**  trans75.587.8149.8-54.6-14.9000118.2
275K21.9Very low20.3Very low183 Ų183134.9 Ų134.980%0.79677%0.767SS**  156.188112.4-83.9164.4-178176.90110.2S277K275-S277 VanDerWaalsContact C-N 3.25Å; K275-S277 PolarHBondContact O-N 2.94Å; K275-S277 VanDerWaalsContact O-N 3.08Å
276F18.8Very low20.2Very low227 Ų227137.9 Ų137.9100%0.99677%0.774SS**  trans-6793.9144.6-83.8-86.2000107.2
277S17.4Very low20.1Very low91 Ų91138.6 Ų138.664%0.63677%0.772SS**  trans-159.396.8163.168.20000111.6K275K275-S277 VanDerWaalsContact C-N 3.25Å; K275-S277 PolarHBondContact O-N 2.94Å; K275-S277 VanDerWaalsContact O-N 3.08Å
278S20.3Very low20.1Very low107 Ų107137 Ų13775%0.74877%0.772SS**  -161.8101.1121.463.80000106.8
279V18.6Very low20Very low131 Ų131138 Ų13879%0.79477%0.772SS**  59.798.6110.6-178.30000109.4
280V19.2Very low20Very low148 Ų148139.2 Ų139.290%0.89778%0.777SS**  -142.3112.780.4-1790000110.7
281S17.1Very low19.9Very low99 Ų99137.1 Ų137.169%0.69277%0.773SS**  trans-127.5136.3161.951.70000107.9
282S17.7Very low19.9Very low93 Ų93137.1 Ų137.165%0.6577%0.773SS**  trans97.6102.3148.8-45.30000118.8
283I20Very low19.9Very low156 Ų156142.5 Ų142.580%0.878%0.782SS**  75.3152119.5-67165.7000115.2
284P27.2Very low20Very low111 Ų111139.7 Ų139.772%0.72178%0.783SS**  cis-139.2163.62210.518.3000119.4
285N17.8Very low20Very low154 Ų154137.4 Ų137.482%0.82479%0.79SS**  trans-59.6135.8142.1-80.8-17.5000111
286E18.9Very low20Very low166 Ų166132.2 Ų132.278%0.77679%0.788SS**  trans144127.4133.7-81.6-176.9-17500113.1
287N19.9Very low20.1Very low144 Ų144129.7 Ų129.777%0.7778%0.78SS**  trans64.9101.9145.1-55.2-21.1000118.8
288A21.9Very low20.4Very low100 Ų100132.7 Ų132.783%0.82679%0.787SS**  -169.5129.3119.500000112.2
289H19.4Very low20.5Very low177 Ų177135.6 Ų135.682%0.81979%0.788SS**  trans-44.2146.5164.2-71.7-100.3000114.6
290I21.1Very low20.6Very low158 Ų158136.3 Ų136.381%0.8179%0.788SS**  trans160.790.5133.9-78.4152.1000105.2
291S17.5Very low20.8Very low95 Ų95132.3 Ų132.366%0.66478%0.777SS**  54.2104.997.1-570000113.4
292I22.1Very low21Very low172 Ų172135 Ų13588%0.88278%0.783SS**  -151.2118.8128.7-85.9135.7000107.1
293H20Very low21.3Very low170 Ų170137.5 Ų137.579%0.78779%0.789SS**  trans-52.3142.5166.9-77.2-96.3000111.8
294S22.8Very low21.6Very low121 Ų121137.8 Ų137.885%0.84679%0.792SS**  161.7128111.4-68.40000111.3
295G21.5Very low21.5Very low82 Ų82141.2 Ų141.285%0.84580%0.799SS**  trans95.98514200000117.7
296G21.1Very low21.8Very low75 Ų75138.4 Ų138.477%0.77380%0.797SS**  trans87.896130.100000117.5
297Q20.7Very low22.1Very low173 Ų173137.3 Ų137.381%0.80880%0.796SS**  trans-169.1106.6140.2-104.9165.910.200108.6
298I23.1Very low22.3Very low155 Ų155137.9 Ų137.980%0.79580%0.799SS**  trans-103.2107157.6-66.8175.4000104.4
299H22.1Very low22.4Very low167 Ų167138.5 Ų138.577%0.77379%0.794SS**  trans-91.8109.3165.9-105.6-78.3000106.5
300D22.2Very low22.6Very low147 Ų147139.6 Ų139.679%0.78680%0.8SS**  trans-119.2138.3163.9-83.3-39.3000107.7
301G22Very low22.8Very low64 Ų64139.2 Ų139.266%0.6679%0.794SS**  trans94.797.215200000117.2
302D22.7Very low23.2Very low155 Ų155139 Ų13983%0.82979%0.786SS**  61.5143.2123.4-57.6-31.5000122.4
303D24.4Very low23.3Very low146 Ų146140.5 Ų140.578%0.78179%0.789SS**  trans73.589.1167-60.3-24.8000117.6
304D25.2Very low23.6Very low161 Ų161139.4 Ų139.486%0.86178%0.782SS**  -159.396.7123-92.6-32.1000109.9A306D304-A306 PolarHBondContact O-N 3.18Å
305Q24.3Very low23.7Very low183 Ų183142.1 Ų142.186%0.85578%0.779SS**  trans-63.187.5160.7-75.8-179.7-13.400108.6N307Q305-N307 PolarHBondContact O-N 3.4Å
306A25.8Very low23.8Very low95 Ų95149 Ų14979%0.78578%0.779SS**  trans-68.787.2166.300000109.1D304 L308D304-A306 PolarHBondContact O-N 3.18Å; A306-L308 PolarHBondContact O-N 2.9Å
307N24.7Very low23.9Very low143 Ų143152.5 Ų152.577%0.76578%0.775SS**  trans-53.5121165.6-89.3-53.3000109.9Q305Q305-N307 PolarHBondContact O-N 3.4Å
308L24.7Very low24.1Very low157 Ų157152.1 Ų152.182%0.82277%0.773SS**  trans-51.5127165.8-123.878.2000109.2A306 Q310A306-L308 PolarHBondContact O-N 2.9Å; L308-Q310 PolarHBondContact O-N 2.9Å
309P23.3Very low24.1Very low113 Ų113151.9 Ų151.973%0.73477%0.772SS**  trans-73.2100.4178.4-1.515.8000109.6H311P309-H311 HydrophobicContact CB-CB 4.36Å; P309-H311 PolarHBondContact O-N 2.94Å
310Q24.2Very low24.1Very low199 Ų199149.9 Ų149.993%0.9377%0.767SS**  trans-7471.4152.6-69.6-174.1-1.100108.1L308L308-Q310 PolarHBondContact O-N 2.9Å
311H24.8Very low24.1Very low150 Ų150149.1 Ų149.169%0.69476%0.763SS**  trans-107.3116.4177.3-120.6-54.2000110.9P309P309-H311 HydrophobicContact CB-CB 4.36Å; P309-H311 PolarHBondContact O-N 2.94Å
312N25Very low24Very low92 Ų92153.1 Ų153.149%0.49277%0.766SS.*  trans96.867.9148.2-57.5-30.1000118.8F314N312-F314 HydrophobicContact CB-CB 4.19Å; N312-F314 PolarHBondContact O-N 2.79Å; N312-F314 WeakPolarHBondContact OD1-CD2 3.02Å
313Q25.4Very low24Very low202 Ų202153.1 Ų153.194%0.94476%0.761SS**  trans-59.8-0133.4-80.4-178.6-21.700113.8K315Q313-K315 VanDerWaalsContact C-N 3.28Å; Q313-K315 PolarHBondContact O-N 3.35Å
314F25.6Very low24.1Very low148 Ų148152.7 Ų152.765%0.64976%0.759SS**THydrogen-bonded Turntrans-77.574.4164.2-68.4-78.7000111N312N312-F314 HydrophobicContact CB-CB 4.19Å; N312-F314 PolarHBondContact O-N 2.79Å; N312-F314 WeakPolarHBondContact OD1-CD2 3.02Å
315K25.6Very low23.9Very low177 Ų177152.5 Ų152.577%0.7775%0.753SS**THydrogen-bonded Turntrans-150.76159-115.4174.8-172.6-179.10115.4Q313Q313-K315 VanDerWaalsContact C-N 3.28Å; Q313-K315 PolarHBondContact O-N 3.35Å
316R23.8Very low24Very low228 Ų228149.6 Ų149.686%0.8675%0.747SS**SBendtrans-106-6.7171.5-82.2-171.9175.8-166.2-0.7115
317Q23.4Very low24Very low147 Ų147152 Ų15269%0.68774%0.74SS**SBendtrans-104.4-6179.3-86.4175.6-20.100115.1
318E24.1Very low24.2Very low165 Ų165149.7 Ų149.777%0.77174%0.735SS**SBendtrans-98.73.5176.8-79-174.3160.100115.1
319I22.6Very low24.4Very low150 Ų150145 Ų14577%0.76971%0.71SS**SBendtrans-99.4-7.8171.1-56.6178.9000111.7
320L22.6Very low24.8Very low125 Ų125143.2 Ų143.265%0.65470%0.695SS**SBendtrans-90.8-0.1174.1-78.1164.9000114.2
321N21.2Very low25.3Very low131 Ų131136 Ų13670%0.70167%0.665SS**SBendtrans-116.231.9-179.9-73.9-2.1000113.7
322M20.9Very low25.8Very low149 Ų149134.8 Ų134.873%0.73466%0.66SS**  trans-113.849.7154.2-64.4-119.180.100108.4D324M322-D324 PolarHBondContact O-N 2.98Å
323E21.6Very low26.3Very low154 Ų154135.7 Ų135.772%0.7266%0.664SS**  trans-62.9126.8156.5-68.7-177154.200106.9
324D26.5Very low26.9Very low137 Ų137126.5 Ų126.573%0.73362%0.622SS**  trans75.262160.2-53.5-30.2000119.8M322M322-D324 PolarHBondContact O-N 2.98Å
325E22.6Very low27.6Very low158 Ų158120.6 Ų120.674%0.73860%0.597SS**  trans-118.569.9148.2-74.2-166.3171.100110.7F327E325-F327 PolarHBondContact O-N 2.74Å
326V25.3Very low28.2Very low121 Ų121115.7 Ų115.773%0.73358%0.579SS**  trans-81.1104.8179.8-179.50000110.4S328V326-S328 PolarHBondContact O-N 3.42Å
327F25.6Very low28.9Very low146 Ų146108.7 Ų108.764%0.6455%0.552SS**  trans-64.198.1168.8-77.9-85.8000111.3E325 L329E325-F327 PolarHBondContact O-N 2.74Å; F327-L329 HydrophobicContact CB-CD1 3.74Å; F327-L329 HydrophobicContact CD1-CD1 4.13Å; F327-L329 HydrophobicContact CG-CD1 4.33Å; F327-L329 PolarHBondContact O-N 2.67Å
328S28.8Very low29.6Very low94 Ų94103 Ų10366%0.65753%0.526SS*.  trans-80.987.3165.1-178.40000109.8V326 N330V326-S328 PolarHBondContact O-N 3.42Å; S328-N330 PolarHBondContact O-N 3.32Å
329L28.7Very low30.3Very low59 Ų5997.4 Ų97.431%0.30951%0.506SS..  trans-74.6113.5174-96.573.5000110.5F327 L334F327-L329 HydrophobicContact CB-CD1 3.74Å; F327-L329 HydrophobicContact CD1-CD1 4.13Å; F327-L329 HydrophobicContact CG-CD1 4.33Å; F327-L329 PolarHBondContact O-N 2.67Å; L329-L334 HydrophobicContact CB-CB 4.47Å; L329-L334 HydrophobicContact CD2-CB 3.99Å; L329-L334 HydrophobicContact CD2-CD1 3.46Å; L329-L334 VanDerWaalsContact CD2-CD1 3.46Å; L329-L334 HydrophobicContact CD2-CG 4.21Å
330N33.2Very low30.9Very low76 Ų7696.1 Ų96.141%0.40649%0.494SS..  trans-57.8129.3164.1177.3-9.1000108.6S328 E332 L333 L334S328-N330 PolarHBondContact O-N 3.32Å; N330-E332 PolarHBondContact O-N 2.77Å; N330-E332 VanDerWaalsContact O-N 3.08Å; N330-E332 PolarHBondContact OD1-N 2.66Å; N330-L333 HydrophobicContact CB-CB 4.12Å; N330-L333 HydrophobicContact CB-CD1 4.01Å; N330-L333 HydrophobicContact CB-CG 4.07Å; N330-L333 CarbonylContact O-C 3.47Å; N330-L333 WeakPolarHBondContact O-CA 3.33Å; N330-L333 WeakPolarHBondContact O-CB 3.39Å; N330-L333 PolarHBondContact O-N 3.27Å; N330-L334 PolarHBondContact O-N 2.79Å
331P35.2Very low31.5Very low48 Ų4892 Ų9231%0.31247%0.471SS..Hα-helixtrans-49.6-35.9177.2-29.234.3000113.7L334 L335P331-L334 PolarHBondContact O-N 3.11Å; P331-L335 VanDerWaalsContact O-CB 3.32Å; P331-L335 WeakPolarHBondContact O-CB 3.37Å; P331-L335 WeakPolarHBondContact O-CD1 3.4Å; P331-L335 PolarHBondContact O-N 2.83Å
332E33.5Very low32.2Very low124 Ų12487.5 Ų87.558%0.57945%0.45SS*.Hα-helixtrans-72.8-32.1178.8-160.6168.7-148.100112.6N330 N336N330-E332 PolarHBondContact O-N 2.77Å; N330-E332 VanDerWaalsContact O-N 3.08Å; N330-E332 PolarHBondContact OD1-N 2.66Å; E332-N336 VanDerWaalsContact O-CB 3.29Å; E332-N336 WeakPolarHBondContact O-CB 3.46Å; E332-N336 PolarHBondContact O-N 2.83Å
333L36.5Very low32.4Very low110 Ų11086.7 Ų86.758%0.57645%0.448SS*.Hα-helixtrans-74.1-40.1170.9-73.5175.7000111.4N330 L335 N336 W337N330-L333 HydrophobicContact CB-CB 4.12Å; N330-L333 HydrophobicContact CB-CD1 4.01Å; N330-L333 HydrophobicContact CB-CG 4.07Å; N330-L333 CarbonylContact O-C 3.47Å; N330-L333 WeakPolarHBondContact O-CA 3.33Å; N330-L333 WeakPolarHBondContact O-CB 3.39Å; N330-L333 PolarHBondContact O-N 3.27Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-N336 CarbonylContact O-C 3.4Å; L333-N336 PolarHBondContact O-N 3.24Å; L333-W337 WeakPolarHBondContact O-CA 3.32Å; L333-W337 WeakPolarHBondContact O-CB 3.31Å; L333-W337 PolarHBondContact O-N 3.34Å
334L38Very low32.6Very low10 Ų1082.6 Ų82.65%0.05243%0.431CS..Hα-helixtrans-61-42.8173.6179.264.2000110.5I117 I120 L329 N330 P331 W337 I338I117-L334 HydrophobicContact CG1-CD2 4.46Å; I120-L334 HydrophobicContact CD1-CD2 3.33Å; I120-L334 HydrophobicContact CD1-CG 3.92Å; L329-L334 HydrophobicContact CB-CB 4.47Å; L329-L334 HydrophobicContact CD2-CB 3.99Å; L329-L334 HydrophobicContact CD2-CD1 3.46Å; L329-L334 VanDerWaalsContact CD2-CD1 3.46Å; L329-L334 HydrophobicContact CD2-CG 4.21Å; N330-L334 PolarHBondContact O-N 2.79Å; P331-L334 PolarHBondContact O-N 3.11Å; L334-W337 HydrophobicContact CD1-CE3 4.47Å; L334-W337 PolarHBondContact O-N 2.74Å; L334-I338 HydrophobicContact CD1-CD1 3.87Å; L334-I338 HydrophobicContact CD1-CG1 4.2Å; L334-I338 HydrophobicContact CG-CD1 3.78Å; L334-I338 HydrophobicContact CG-CG1 4.45Å; L334-I338 WeakPolarHBondContact O-CB 3.32Å; L334-I338 WeakPolarHBondContact O-CD1 3.48Å; L334-I338 WeakPolarHBondContact O-CG1 3.43Å; L334-I338 PolarHBondContact O-N 2.96Å
335L40.4Very low32.6Very low24 Ų2478.3 Ų78.313%0.12641%0.408CS..Hα-helixtrans-66-44.7173.9-92.3146.9000112.9N8 I120 P331 L333 W337 S339N8-L335 HydrophobicContact CB-CD1 3.69Å; N8-L335 HydrophobicContact CB-CD2 3.74Å; N8-L335 HydrophobicContact CB-CG 4.35Å; I120-L335 HydrophobicContact CG1-CD1 4.34Å; I120-L335 HydrophobicContact CG2-CD1 4.47Å; I120-L335 HydrophobicContact CG2-CD2 4.36Å; I120-L335 HydrophobicContact CG2-CG 4.44Å; P331-L335 VanDerWaalsContact O-CB 3.32Å; P331-L335 WeakPolarHBondContact O-CB 3.37Å; P331-L335 WeakPolarHBondContact O-CD1 3.4Å; P331-L335 PolarHBondContact O-N 2.83Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L335-W337 PolarHBondContact O-N 3.37Å; L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.28Å; L335-S339 PolarHBondContact O-N 2.91Å; L335-S339 PolarHBondContact O-OG 3.09Å
336N37.4Very low32.7Very low73 Ų7378.5 Ų78.539%0.3941%0.413SS..Hα-helixtrans-63.2-33.2172.2-96.8-38.3000111.9E332 L333 S339 K340E332-N336 VanDerWaalsContact O-CB 3.29Å; E332-N336 WeakPolarHBondContact O-CB 3.46Å; E332-N336 PolarHBondContact O-N 2.83Å; L333-N336 CarbonylContact O-C 3.4Å; L333-N336 PolarHBondContact O-N 3.24Å; N336-S339 VanDerWaalsContact CA-OG 3.28Å; N336-S339 WeakPolarHBondContact CA-OG 3.41Å; N336-S339 PolarHBondContact O-OG 3.44Å; N336-K340 WeakPolarHBondContact O-CB 3.43Å; N336-K340 WeakPolarHBondContact O-CG 3.44Å; N336-K340 PolarHBondContact O-N 3.22Å
337W38.5Very low32.7Very low81 Ų8175.5 Ų75.531%0.30740%0.397SS..Hα-helixtrans-74.4-47.9179.6-17492000110.6L73 I77 L333 L334 L335 S339 K340 F341L73-W337 HydrophobicContact CD1-CH2 4.47Å; L73-W337 HydrophobicContact CD1-CZ2 3.99Å; L73-W337 HydrophobicContact CD2-CH2 4.13Å; L73-W337 HydrophobicContact CD2-CZ2 4.3Å; L73-W337 HydrophobicContact CG-CH2 4.07Å; L73-W337 HydrophobicContact CG-CZ2 4.11Å; I77-W337 HydrophobicContact CG1-CH2 4.27Å; I77-W337 HydrophobicContact CG1-CZ3 4.37Å; L333-W337 WeakPolarHBondContact O-CA 3.32Å; L333-W337 WeakPolarHBondContact O-CB 3.31Å; L333-W337 PolarHBondContact O-N 3.34Å; L334-W337 HydrophobicContact CD1-CE3 4.47Å; L334-W337 PolarHBondContact O-N 2.74Å; L335-W337 PolarHBondContact O-N 3.37Å; W337-S339 VanDerWaalsContact C-N 3.32Å; W337-S339 PolarHBondContact O-N 2.83Å; W337-K340 PolarHBondContact O-N 2.93Å; W337-F341 AromaticContact CD1-CE2 3.91Å; W337-F341 AromaticContact CD2-CD2 3.73Å; W337-F341 HydrophobicContact CD2-CD2 3.73Å; W337-F341 AromaticContact CD2-CE2 3.9Å; W337-F341 HydrophobicContact CD2-CE2 3.9Å; W337-F341 AromaticContact CE2-CD2 3.51Å; W337-F341 AromaticContact CE2-CE2 3.17Å; W337-F341 AromaticContact CE2-CZ 3.96Å; W337-F341 HydrophobicContact CE3-CD2 4.25Å; W337-F341 HydrophobicContact CG-CD2 4.08Å; W337-F341 HydrophobicContact CG-CE2 4.31Å; W337-F341 HydrophobicContact CH2-CD2 4.34Å; W337-F341 HydrophobicContact CH2-CE2 4.17Å; W337-F341 HydrophobicContact CH2-CZ 4.33Å; W337-F341 AromaticContact CZ2-CD2 3.86Å; W337-F341 HydrophobicContact CZ2-CD2 3.86Å; W337-F341 HydrophobicContact CZ2-CE1 4.39Å; W337-F341 AromaticContact CZ2-CE2 3.34Å; W337-F341 HydrophobicContact CZ2-CE2 3.34Å; W337-F341 AromaticContact CZ2-CZ 3.63Å; W337-F341 HydrophobicContact CZ2-CZ 3.63Å; W337-F341 AromaticContact NE1-CD2 3.76Å; W337-F341 AromaticContact NE1-CE2 3.22Å; W337-F341 VanDerWaalsContact O-CB 3.29Å; W337-F341 WeakPolarHBondContact O-CB 3.42Å; W337-F341 WeakPolarHBondContact O-CD2 3.49Å; W337-F341 PolarHBondContact O-N 3Å
338I38Very low32.7Very low28 Ų2874.7 Ų74.714%0.14439%0.391CS..Hα-helixtrans-59.5-41.5173.1-68.3166.1000110.8F12 I120 L334F12-I338 HydrophobicContact CD2-CG2 4.42Å; F12-I338 HydrophobicContact CE2-CG2 3.91Å; F12-I338 HydrophobicContact CZ-CG2 4.35Å; I120-I338 HydrophobicContact CD1-CD1 4.39Å; L334-I338 HydrophobicContact CD1-CD1 3.87Å; L334-I338 HydrophobicContact CD1-CG1 4.2Å; L334-I338 HydrophobicContact CG-CD1 3.78Å; L334-I338 HydrophobicContact CG-CG1 4.45Å; L334-I338 WeakPolarHBondContact O-CB 3.32Å; L334-I338 WeakPolarHBondContact O-CD1 3.48Å; L334-I338 WeakPolarHBondContact O-CG1 3.43Å; L334-I338 PolarHBondContact O-N 2.96Å
339S40Very low32.6Very low48 Ų4878.8 Ų78.834%0.33640%0.399SS..Hα-helixtrans-75.1-35.4178.6580000113.9L335 N336 W337L335-S339 VanDerWaalsContact O-CB 3.26Å; L335-S339 WeakPolarHBondContact O-CB 3.28Å; L335-S339 PolarHBondContact O-N 2.91Å; L335-S339 PolarHBondContact O-OG 3.09Å; N336-S339 VanDerWaalsContact CA-OG 3.28Å; N336-S339 WeakPolarHBondContact CA-OG 3.41Å; N336-S339 PolarHBondContact O-OG 3.44Å; W337-S339 VanDerWaalsContact C-N 3.32Å; W337-S339 PolarHBondContact O-N 2.83Å
340K35.5Very low32.8Very low123 Ų12382.9 Ų82.954%0.53542%0.422SS..Hα-helixtrans-79.1-24.3176-71.6174.5-178.1-1790113.4N336 W337 S342 L343 N344N336-K340 WeakPolarHBondContact O-CB 3.43Å; N336-K340 WeakPolarHBondContact O-CG 3.44Å; N336-K340 PolarHBondContact O-N 3.22Å; W337-K340 PolarHBondContact O-N 2.93Å; K340-S342 VanDerWaalsContact C-N 3.31Å; K340-S342 PolarHBondContact O-N 3.46Å; K340-L343 PolarHBondContact O-N 2.95Å; K340-N344 PolarHBondContact O-N 3.23Å; K340-N344 VanDerWaalsContact O-N 3.17Å
341F33.8Very low32.3Very low38 Ų3886.6 Ų86.617%0.16744%0.437CS..Hα-helixtrans-64-36177.7-111.7-98.5000112.4L73 I77 W337 L343 N344 I345L73-F341 HydrophobicContact CD1-CZ 4.15Å; L73-F341 HydrophobicContact CD2-CE1 3.64Å; L73-F341 HydrophobicContact CD2-CZ 3.95Å; I77-F341 HydrophobicContact CD1-CD1 3.8Å; I77-F341 HydrophobicContact CD1-CE1 4.07Å; W337-F341 AromaticContact CD1-CE2 3.91Å; W337-F341 AromaticContact CD2-CD2 3.73Å; W337-F341 HydrophobicContact CD2-CD2 3.73Å; W337-F341 AromaticContact CD2-CE2 3.9Å; W337-F341 HydrophobicContact CD2-CE2 3.9Å; W337-F341 AromaticContact CE2-CD2 3.51Å; W337-F341 AromaticContact CE2-CE2 3.17Å; W337-F341 AromaticContact CE2-CZ 3.96Å; W337-F341 HydrophobicContact CE3-CD2 4.25Å; W337-F341 HydrophobicContact CG-CD2 4.08Å; W337-F341 HydrophobicContact CG-CE2 4.31Å; W337-F341 HydrophobicContact CH2-CD2 4.34Å; W337-F341 HydrophobicContact CH2-CE2 4.17Å; W337-F341 HydrophobicContact CH2-CZ 4.33Å; W337-F341 AromaticContact CZ2-CD2 3.86Å; W337-F341 HydrophobicContact CZ2-CD2 3.86Å; W337-F341 HydrophobicContact CZ2-CE1 4.39Å; W337-F341 AromaticContact CZ2-CE2 3.34Å; W337-F341 HydrophobicContact CZ2-CE2 3.34Å; W337-F341 AromaticContact CZ2-CZ 3.63Å; W337-F341 HydrophobicContact CZ2-CZ 3.63Å; W337-F341 AromaticContact NE1-CD2 3.76Å; W337-F341 AromaticContact NE1-CE2 3.22Å; W337-F341 VanDerWaalsContact O-CB 3.29Å; W337-F341 WeakPolarHBondContact O-CB 3.42Å; W337-F341 WeakPolarHBondContact O-CD2 3.49Å; W337-F341 PolarHBondContact O-N 3Å; F341-L343 PolarHBondContact O-N 3.34Å; F341-N344 PolarHBondContact O-N 3.2Å; F341-I345 HydrophobicContact CD1-CD1 4.42Å; F341-I345 PolarHBondContact O-N 2.75Å
342S36.2Very low31.9Very low37 Ų3791 Ų9126%0.25946%0.463SS..Hα-helixtrans-60.7-30.1174.6-52.30000113.3Y56 K340Y56-S342 PolarHBondContact OH-OG 2.66Å; K340-S342 VanDerWaalsContact C-N 3.31Å; K340-S342 PolarHBondContact O-N 3.46Å
343L26.4Very low31.8Very low132 Ų13288.1 Ų88.169%0.69147%0.467SS*.Hα-helixtrans-85.4-29.1177.2-73.7169000112.9K340 F341K340-L343 PolarHBondContact O-N 2.95Å; F341-L343 PolarHBondContact O-N 3.34Å
344N24.5Very low31.3Very low67 Ų6793.3 Ų93.336%0.35848%0.479SS..Hα-helixtrans-84.9-29.7-171.4-96.1-6.7000114.3K340 F341 L346 S347 Y348K340-N344 PolarHBondContact O-N 3.23Å; K340-N344 VanDerWaalsContact O-N 3.17Å; F341-N344 PolarHBondContact O-N 3.2Å; N344-L346 PolarHBondContact O-N 3.31Å; N344-S347 CarbonylContact O-C 3.56Å; N344-S347 PolarHBondContact O-N 2.83Å; N344-S347 PolarHBondContact O-OG 3.47Å; N344-S347 PolarHBondContact OD1-OG 2.94Å; N344-Y348 HydrophobicContact CB-CD2 3.94Å; N344-Y348 HydrophobicContact CB-CE2 3.89Å; N344-Y348 WeakPolarHBondContact O-CB 3.33Å; N344-Y348 WeakPolarHBondContact O-CD2 3.46Å; N344-Y348 PolarHBondContact O-N 3.12Å
345I26.4Very low30.7Very low48 Ų4897.1 Ų97.125%0.24650%0.498CS..THydrogen-bonded Turntrans-63.8-32.2177.1-73.9171.2000111.6F341 S347F341-I345 HydrophobicContact CD1-CD1 4.42Å; F341-I345 PolarHBondContact O-N 2.75Å; I345-S347 VanDerWaalsContact C-N 3.33Å; I345-S347 PolarHBondContact O-N 3.22Å
346L24.9Very low30Very low162 Ų162100.7 Ų100.785%0.84852%0.521SS*.THydrogen-bonded Turntrans-72.6-21.3173.4-105.680.1000113.9N344N344-L346 PolarHBondContact O-N 3.31Å
347S26.2Very low29.5Very low58 Ų58103 Ų10341%0.40653%0.533SS..THydrogen-bonded Turntrans-101.3-14.1179.171.20000113.8N344 I345 Q349 N350N344-S347 CarbonylContact O-C 3.56Å; N344-S347 PolarHBondContact O-N 2.83Å; N344-S347 PolarHBondContact O-OG 3.47Å; N344-S347 PolarHBondContact OD1-OG 2.94Å; I345-S347 VanDerWaalsContact C-N 3.33Å; I345-S347 PolarHBondContact O-N 3.22Å; S347-Q349 VanDerWaalsContact C-N 3.26Å; S347-Q349 PolarHBondContact O-N 3.23Å; S347-N350 PolarHBondContact O-N 2.85Å; S347-N350 VanDerWaalsContact O-N 3.12Å
348Y24.5Very low28.8Very low129 Ų129106.1 Ų106.151%0.50655%0.551SS.*THydrogen-bonded Turntrans-65-23.3-175.3-108.1-70.2000114.1N344 N350N344-Y348 HydrophobicContact CB-CD2 3.94Å; N344-Y348 HydrophobicContact CB-CE2 3.89Å; N344-Y348 WeakPolarHBondContact O-CB 3.33Å; N344-Y348 WeakPolarHBondContact O-CD2 3.46Å; N344-Y348 PolarHBondContact O-N 3.12Å; Y348-N350 VanDerWaalsContact C-N 3.31Å; Y348-N350 PolarHBondContact O-N 3.18Å
349Q26.7Very low28.2Very low179 Ų179108.9 Ų108.984%0.83657%0.57SS**THydrogen-bonded Turntrans-74.3-17.8175.8-73.7-170.3-18.500113.7S347S347-Q349 VanDerWaalsContact C-N 3.26Å; S347-Q349 PolarHBondContact O-N 3.23Å
350N32.5Very low27.5Very low146 Ų146114 Ų11478%0.78159%0.586SS**THydrogen-bonded Turntrans-115.61.1-169-83.3-19.2000117.3S347 Y348S347-N350 PolarHBondContact O-N 2.85Å; S347-N350 VanDerWaalsContact O-N 3.12Å; Y348-N350 VanDerWaalsContact C-N 3.31Å; Y348-N350 PolarHBondContact O-N 3.18Å
351Q24.4Very low27Very low153 Ų153115 Ų11572%0.71560%0.597SS**  trans-141.863.8178.3-66.9-1735.300114.1G353Q351-G353 PolarHBondContact O-N 3.47Å
352T25.8Very low26.6Very low142 Ų142120.3 Ų120.387%0.87163%0.626SS**THydrogen-bonded Turntrans-67.591.2161.245.50000109.6
353G30.3Very low25.9Very low63 Ų63126.9 Ų126.965%0.64965%0.65SS**THydrogen-bonded Turntrans168.4-13.2168.900000119.7Q351Q351-G353 PolarHBondContact O-N 3.47Å
354R26.7Very low25.8Very low219 Ų219127.7 Ų127.783%0.82666%0.655SS**SBendtrans-112-4.7-174-78.2-171.1-177.2179.62.6117.7
355I24.7Very low25.7Very low89 Ų89131.8 Ų131.846%0.45668%0.676SS.*G310 helixtrans-93.6-8.2-174.5-60.3176.2000114N357 Q358I355-N357 PolarHBondContact O-N 3.35Å; I355-N357 VanDerWaalsContact O-N 3.09Å; I355-Q358 PolarHBondContact O-N 3.39Å
356T26.3Very low25.5Very low100 Ų100136.6 Ų136.661%0.61370%0.7SS**G310 helixtrans-63.3-17.6175.249.70000114.3T359T356-T359 PolarHBondContact O-OG1 3.04Å
357N26.7Very low25.3Very low120 Ų120134.4 Ų134.464%0.64270%0.695SS**G310 helixtrans-94-15.2179.6-75.1-17.8000114.5I355I355-N357 PolarHBondContact O-N 3.35Å; I355-N357 VanDerWaalsContact O-N 3.09Å
358Q25.3Very low25Very low147 Ų147137 Ų13769%0.68771%0.709SS**THydrogen-bonded Turntrans-89.5-19.8177.5-75.6-175.3-9.800113.2I355 K360 N361I355-Q358 PolarHBondContact O-N 3.39Å; Q358-K360 VanDerWaalsContact C-N 3.26Å; Q358-K360 PolarHBondContact O-N 2.87Å; Q358-N361 PolarHBondContact O-N 3.33Å
359T24.3Very low24.8Very low87 Ų87140.6 Ų140.653%0.53472%0.723SS.*G310 helixtrans-72.1-1717652.50000113.6T356 N361T356-T359 PolarHBondContact O-OG1 3.04Å; T359-N361 VanDerWaalsContact C-N 3.34Å; T359-N361 PolarHBondContact O-N 2.88Å
360K24.8Very low24.7Very low156 Ų156143 Ų14368%0.67873%0.725SS**G310 helixtrans-70.4-25.7176.1-76.6-177.9177.71750113.9Q358Q358-K360 VanDerWaalsContact C-N 3.26Å; Q358-K360 PolarHBondContact O-N 2.87Å
361N26.1Very low24.3Very low144 Ų144142.9 Ų142.977%0.7773%0.729SS**G310 helixtrans-87-2.3-176.6-86-9000114.6Q358 T359Q358-N361 PolarHBondContact O-N 3.33Å; T359-N361 VanDerWaalsContact C-N 3.34Å; T359-N361 PolarHBondContact O-N 2.88Å
362L24.2Very low24.3Very low148 Ų148138.8 Ų138.878%0.77573%0.729SS**G310 helixtrans-87.6-1.3-179.7-81.4150.8000114.1N364L362-N364 VanDerWaalsContact C-N 3.35Å; L362-N364 PolarHBondContact O-N 2.8Å
363K22.7Very low24.3Very low176 Ų176138.3 Ų138.377%0.76573%0.731SS**G310 helixtrans-75.9-9.6-179.6-81-170.9172.7-171.70115.9
364N24.3Very low24.1Very low148 Ų148139.6 Ų139.679%0.79172%0.723SS**G310 helixtrans-11324.5-163.3-76.85.3000116.8L362L362-N364 VanDerWaalsContact C-N 3.35Å; L362-N364 PolarHBondContact O-N 2.8Å
365I23Very low24.2Very low154 Ų154131.7 Ų131.779%0.7970%0.701SS**  trans-129.880.4175.9-49.5177.7000110.3
366I20.1Very low24.5Very low148 Ų148136 Ų13676%0.75972%0.716SS**  trans-123.3111.2166.1-58.8171.9000106.7
367P21.4Very low24.7Very low116 Ų116137.7 Ų137.775%0.75372%0.717SS**  trans-116.4122.1147.2-7.827.7000112.4
368T20.3Very low25Very low112 Ų112136.4 Ų136.469%0.68771%0.707SS**  trans-56.3130.9164.148.80000111.7
369Y19.7Very low25.3Very low206 Ų206134.1 Ų134.181%0.80870%0.699SS**  trans176.9145.5135.2-94.7-68.8000109.9
370W24.9Very low25.6Very low228 Ų228135.6 Ų135.686%0.86470%0.703SS**  trans106.479.8164.5-51.3109.2000118.3
371T24.3Very low26Very low144 Ų144130.9 Ų130.988%0.88369%0.693SS**  trans-73.8104.2138.952.60000108.7
372G24.6Very low26.4Very low68 Ų68131 Ų13170%0.70168%0.683SS**  trans-114108.9174.600000110.6L374G372-L374 PolarHBondContact O-N 3.15Å
373S25.7Very low26.7Very low131 Ų131129.4 Ų129.492%0.91667%0.671SS**PPolyproline II helixtrans-57.2123-176.2-580000113.5
374L27.2Very low27.3Very low91 Ų91126 Ų12648%0.47666%0.66SS.*PPolyproline II helixtrans-76.4143.9174-158.574.7000110.8G372 E378G372-L374 PolarHBondContact O-N 3.15Å; L374-E378 WeakPolarHBondContact CD1-OE2 3.46Å; L374-E378 HydrophobicContact CD2-CB 4.1Å; L374-E378 HydrophobicContact CG-CB 4.1Å; L374-E378 VanDerWaalsContact CG-OE2 3.25Å; L374-E378 WeakPolarHBondContact CG-OE2 3.3Å
375S28.4Very low27.8Very low53 Ų53126.7 Ų126.737%0.37165%0.653SS.*PPolyproline II helixtrans-77.1155.6-176.592.90000112.9E377 E378 L379S375-E377 WeakPolarHBondContact CB-OE2 3.42Å; S375-E377 PolarHBondContact O-N 2.78Å; S375-E377 PolarHBondContact OG-OE2 2.84Å; S375-E378 PolarHBondContact O-N 3.08Å; S375-L379 PolarHBondContact O-N 3.15Å
376K30.3Very low28.2Very low178 Ų178121.5 Ų121.577%0.77463%0.631SS**Hα-helixtrans-63.9-28.1-174.5-133176.2-175.6179.10112.5L379 L380K376-L379 PolarHBondContact O-N 3.14Å; K376-L380 PolarHBondContact O-N 3.42Å; K376-L380 VanDerWaalsContact O-N 3.15Å
377E30.8Very low28.6Very low136 Ų136118.8 Ų118.864%0.63662%0.617SS**Hα-helixtrans-69.1-36.3177.6-59.977-158.800112.1S375 L380 A381S375-E377 WeakPolarHBondContact CB-OE2 3.42Å; S375-E377 PolarHBondContact O-N 2.78Å; S375-E377 PolarHBondContact OG-OE2 2.84Å; E377-L380 PolarHBondContact O-N 2.93Å; E377-A381 PolarHBondContact O-N 3.47Å; E377-A381 VanDerWaalsContact O-N 3.09Å
378E33.7Very low29.1Very low94 Ų94120.7 Ų120.744%0.43962%0.616SS.*Hα-helixtrans-72-30.9176.5-72.7-179.2120.500112.4L374 S375 R382L374-E378 WeakPolarHBondContact CD1-OE2 3.46Å; L374-E378 HydrophobicContact CD2-CB 4.1Å; L374-E378 HydrophobicContact CG-CB 4.1Å; L374-E378 VanDerWaalsContact CG-OE2 3.25Å; L374-E378 WeakPolarHBondContact CG-OE2 3.3Å; S375-E378 PolarHBondContact O-N 3.08Å; E378-R382 PolarHBondContact O-N 3.03Å
379L30.6Very low29.6Very low99 Ų99122.1 Ų122.152%0.51862%0.619SS.*Hα-helixtrans-67.9-37.3170.3-79.4170.2000112S375 K376 R382 H383S375-L379 PolarHBondContact O-N 3.15Å; K376-L379 PolarHBondContact O-N 3.14Å; L379-R382 PolarHBondContact O-N 2.76Å; L379-H383 PolarHBondContact O-N 3.01Å
380L30.7Very low29.9Very low118 Ų118120.8 Ų120.862%0.61862%0.618SS**Hα-helixtrans-68.7-41.9178.9-153.193.4000111.8K376 E377 R382 H383 I384K376-L380 PolarHBondContact O-N 3.42Å; K376-L380 VanDerWaalsContact O-N 3.15Å; E377-L380 PolarHBondContact O-N 2.93Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3.24Å; L380-H383 PolarHBondContact O-N 3.39Å; L380-I384 PolarHBondContact O-N 3.4Å
381A33.8Very low30Very low56 Ų56118 Ų11846%0.46361%0.614SS.*Hα-helixtrans-62.4-37.7175.200000112E377E377-A381 PolarHBondContact O-N 3.47Å; E377-A381 VanDerWaalsContact O-N 3.09Å
382R34Very low30.4Very low148 Ų148114.4 Ų114.456%0.55860%0.595SS**Hα-helixtrans-66.4-38.3173.2-78.1176.896.793.4-4.5112.6E378 L379 L380 I384 Y385 S386E378-R382 PolarHBondContact O-N 3.03Å; L379-R382 PolarHBondContact O-N 2.76Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-R382 PolarHBondContact O-N 3.24Å; R382-I384 VanDerWaalsContact C-N 3.33Å; R382-I384 PolarHBondContact O-N 2.98Å; R382-Y385 PolarHBondContact O-N 3.47Å; R382-S386 WeakPolarHBondContact O-CB 3.44Å; R382-S386 PolarHBondContact O-N 3.38Å; R382-S386 PolarHBondContact O-OG 3.19Å
383H30.7Very low30.9Very low113 Ų113119.3 Ų119.352%0.52361%0.605SS.*Hα-helixtrans-67.6-33.1-177.3-120.9-31.6000113.2L379 L380 S386 N387L379-H383 PolarHBondContact O-N 3.01Å; L380-H383 PolarHBondContact O-N 3.39Å; H383-S386 PolarHBondContact O-OG 3.22Å; H383-N387 PolarHBondContact ND1-OD1 3.12Å; H383-N387 WeakPolarHBondContact O-CB 3.15Å; H383-N387 PolarHBondContact O-N 3.31Å; H383-N387 PolarHBondContact O-ND2 3.44Å
384I35.3Very low31.3Very low105 Ų105120.7 Ų120.754%0.53860%0.602SS.*Hα-helixtrans-67.5-43177.1-64.3170000110.6L380 R382L380-I384 PolarHBondContact O-N 3.4Å; R382-I384 VanDerWaalsContact C-N 3.33Å; R382-I384 PolarHBondContact O-N 2.98Å
385Y34.2Very low31.6Very low162 Ų162120.2 Ų120.264%0.63560%0.6SS**Hα-helixtrans-72.8-37.4178.2-85.3-80.8000113.2R382R382-Y385 PolarHBondContact O-N 3.47Å
386S31.9Very low31.9Very low46 Ų46120.6 Ų120.632%0.32260%0.602SS.*Hα-helixtrans-75.1-30.6179.469.40000113.4R382 H383 L389 K390R382-S386 WeakPolarHBondContact O-CB 3.44Å; R382-S386 PolarHBondContact O-N 3.38Å; R382-S386 PolarHBondContact O-OG 3.19Å; H383-S386 PolarHBondContact O-OG 3.22Å; S386-L389 PolarHBondContact O-N 3.5Å; S386-K390 PolarHBondContact O-N 3.39Å
387N28.9Very low32.1Very low90 Ų90117 Ų11748%0.48160%0.595SS.*Hα-helixtrans-76.9-23.5-178.9-76.5-5.2000113H383 L389H383-N387 PolarHBondContact ND1-OD1 3.12Å; H383-N387 WeakPolarHBondContact O-CB 3.15Å; H383-N387 PolarHBondContact O-N 3.31Å; H383-N387 PolarHBondContact O-ND2 3.44Å; N387-L389 VanDerWaalsContact C-N 3.25Å; N387-L389 PolarHBondContact O-N 3.22Å
388Q30.4Very low32.1Very low156 Ų156117.7 Ų117.773%0.72960%0.598SS**Hα-helixtrans-70.5-22169.9-74.2-171.4-23.600112.9
389L31.1Very low32.1Very low143 Ų143116.9 Ų116.975%0.74960%0.595SS**Hα-helixtrans-94.8-20.4177.5-105.2112.7000114.7S386 N387S386-L389 PolarHBondContact O-N 3.5Å; N387-L389 VanDerWaalsContact C-N 3.25Å; N387-L389 PolarHBondContact O-N 3.22Å
390K27Very low32.4Very low178 Ų178116 Ų11677%0.77459%0.59SS**SBendtrans-97.49.3-175.5-76.1-170.6176.8-175.30115.8S386S386-K390 PolarHBondContact O-N 3.39Å
391Q27.3Very low32.7Very low168 Ų168112.3 Ų112.379%0.78557%0.57SS**SBendtrans-113.488.3167.2-77.6-173.3-3.900109.7
392S30.9Very low32.6Very low69 Ų69112.6 Ų112.648%0.48356%0.562SS.*  trans143.197.8145.753.10000111.4D394 L395S392-D394 PolarHBondContact O-N 3.5Å; S392-D394 VanDerWaalsContact O-N 3.07Å; S392-L395 WeakPolarHBondContact OG-CD1 3.49Å; S392-L395 WeakPolarHBondContact OG-CG 3.33Å
393D37Very low32.6Very low171 Ų171109.4 Ų109.491%0.91456%0.556SS**THydrogen-bonded Turntrans-72.519.6173.9-82.2-36000113.7
394D33.3Very low32.8Very low160 Ų160105 Ų10586%0.85654%0.536SS*.THydrogen-bonded Turntrans-145.137.5-176.9-78.8-45.6000113.4S392S392-D394 PolarHBondContact O-N 3.5Å; S392-D394 VanDerWaalsContact O-N 3.07Å
395L32.4Very low32.7Very low81 Ų81103.9 Ų103.942%0.42453%0.529SS..  trans-85.6127.2174.7-68.3172.2000111.8S392 E399S392-L395 WeakPolarHBondContact OG-CD1 3.49Å; S392-L395 WeakPolarHBondContact OG-CG 3.33Å; L395-E399 WeakPolarHBondContact CA-OE2 2.84Å; L395-E399 HydrophobicContact CD2-CB 4.3Å; L395-E399 VanDerWaalsContact CD2-CD 3.49Å; L395-E399 HydrophobicContact CD2-CG 4.47Å; L395-E399 WeakPolarHBondContact CD2-OE2 3.48Å
396S34.7Very low32.6Very low61 Ų6197.4 Ų97.443%0.42751%0.506SS..  trans-72.9154.4178.672.80000111.5Q398 E399S396-Q398 PolarHBondContact O-N 3.31Å; S396-E399 PolarHBondContact N-OE2 3.26Å; S396-E399 PolarHBondContact O-N 3.38Å; S396-E399 PolarHBondContact OG-OE2 2.96Å
397T35.6Very low32.6Very low102 Ų10299.4 Ų99.463%0.62651%0.512SS*.Hα-helixtrans-51-25.9178.5-40.50000113.7I401T397-I401 WeakPolarHBondContact O-CD1 3.46Å; T397-I401 VanDerWaalsContact O-CG1 3.3Å; T397-I401 WeakPolarHBondContact O-CG1 3.37Å; T397-I401 PolarHBondContact O-N 2.87Å
398Q31Very low32.7Very low151 Ų15196.6 Ų96.671%0.70650%0.498SS*.Hα-helixtrans-72.6-33.5177.6-76.9179.3-23.200113.4S396 I401 Q402S396-Q398 PolarHBondContact O-N 3.31Å; Q398-I401 PolarHBondContact O-N 3.45Å; Q398-Q402 PolarHBondContact O-N 2.93Å
399E34Very low32.8Very low78 Ų7891.3 Ų91.336%0.36448%0.477SS..Hα-helixtrans-73.6-35.8178.5-72.3165.6135.400111.4L395 S396 I401 Q402 N403L395-E399 WeakPolarHBondContact CA-OE2 2.84Å; L395-E399 HydrophobicContact CD2-CB 4.3Å; L395-E399 VanDerWaalsContact CD2-CD 3.49Å; L395-E399 HydrophobicContact CD2-CG 4.47Å; L395-E399 WeakPolarHBondContact CD2-OE2 3.48Å; S396-E399 PolarHBondContact N-OE2 3.26Å; S396-E399 PolarHBondContact O-N 3.38Å; S396-E399 PolarHBondContact OG-OE2 2.96Å; E399-I401 VanDerWaalsContact C-N 3.33Å; E399-I401 PolarHBondContact O-N 2.89Å; E399-Q402 PolarHBondContact O-N 2.9Å; E399-N403 PolarHBondContact O-N 3.3Å
400I37Very low32.8Very low79 Ų7991 Ų9141%0.40547%0.471SS..Hα-helixtrans-60.6-43.7172.5-61.3174.3000110.5Q402 N403 I404I400-Q402 PolarHBondContact O-N 3.28Å; I400-N403 PolarHBondContact O-N 2.8Å; I400-I404 HydrophobicContact CG2-CD1 3.87Å; I400-I404 VanDerWaalsContact O-CG1 3.29Å; I400-I404 WeakPolarHBondContact O-CG1 3.44Å; I400-I404 PolarHBondContact O-N 3.31Å
401I36.2Very low33.1Very low41 Ų4188 Ų8821%0.2146%0.456CS..Hα-helixtrans-62.7-42.2178.4-68.1165.4000111T397 Q398 E399 I404 Q405T397-I401 WeakPolarHBondContact O-CD1 3.46Å; T397-I401 VanDerWaalsContact O-CG1 3.3Å; T397-I401 WeakPolarHBondContact O-CG1 3.37Å; T397-I401 PolarHBondContact O-N 2.87Å; Q398-I401 PolarHBondContact O-N 3.45Å; E399-I401 VanDerWaalsContact C-N 3.33Å; E399-I401 PolarHBondContact O-N 2.89Å; I401-I404 PolarHBondContact O-N 3.24Å; I401-Q405 WeakPolarHBondContact O-CG 3.29Å; I401-Q405 PolarHBondContact O-N 2.93Å
402Q30.7Very low33.3Very low62 Ų6281.7 Ų81.729%0.2943%0.433SS..Hα-helixtrans-68.1-39.1178.4-76.8-166.6-38.300113.3Q398 E399 I400 Q405 V406Q398-Q402 PolarHBondContact O-N 2.93Å; E399-Q402 PolarHBondContact O-N 2.9Å; I400-Q402 PolarHBondContact O-N 3.28Å; Q402-Q405 PolarHBondContact O-N 3.22Å; Q402-V406 PolarHBondContact O-N 3.09Å
403N35Very low33.4Very low82 Ų8283.3 Ų83.344%0.43943%0.429SS..Hα-helixtrans-67.8-38176.8-73-16.4000111.3E399 I400 V406 I407E399-N403 PolarHBondContact O-N 3.3Å; I400-N403 PolarHBondContact O-N 2.8Å; N403-V406 PolarHBondContact O-N 3.01Å; N403-I407 WeakPolarHBondContact O-CB 3.45Å; N403-I407 WeakPolarHBondContact O-CD1 3.44Å; N403-I407 VanDerWaalsContact O-CG1 3.23Å; N403-I407 WeakPolarHBondContact O-CG1 3.39Å; N403-I407 PolarHBondContact O-N 2.99Å
404I35.5Very low33.1Very low20 Ų2081.7 Ų81.710%0.10342%0.42CS..Hα-helixtrans-62.4-46171.6-68.3169.3000110.2T173 I400 I401 V406 I407 T408T173-I404 HydrophobicContact CG2-CG2 4.44Å; I400-I404 HydrophobicContact CG2-CD1 3.87Å; I400-I404 VanDerWaalsContact O-CG1 3.29Å; I400-I404 WeakPolarHBondContact O-CG1 3.44Å; I400-I404 PolarHBondContact O-N 3.31Å; I401-I404 PolarHBondContact O-N 3.24Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 3.13Å; I404-I407 PolarHBondContact O-N 3.21Å; I404-T408 HydrophobicContact CG2-CG2 4.04Å; I404-T408 WeakPolarHBondContact O-CB 3.48Å; I404-T408 VanDerWaalsContact O-CG2 3.24Å; I404-T408 WeakPolarHBondContact O-CG2 3.49Å; I404-T408 PolarHBondContact O-N 2.94Å; I404-T408 PolarHBondContact O-OG1 3.2Å
405Q32.1Very low33.2Very low81 Ų8179 Ų7938%0.37940%0.402SS..Hα-helixtrans-59.9-38.6177-77.7179-26.100113I401 Q402 T408 T409I401-Q405 WeakPolarHBondContact O-CG 3.29Å; I401-Q405 PolarHBondContact O-N 2.93Å; Q402-Q405 PolarHBondContact O-N 3.22Å; Q405-T408 WeakPolarHBondContact CA-OG1 3.42Å; Q405-T408 PolarHBondContact O-OG1 2.96Å; Q405-T409 VanDerWaalsContact O-CB 3.3Å; Q405-T409 WeakPolarHBondContact O-CB 3.49Å; Q405-T409 WeakPolarHBondContact O-CG2 3.5Å; Q405-T409 PolarHBondContact O-N 2.48Å; Q405-T409 VanDerWaalsContact O-N 3.11Å; Q405-T409 PolarHBondContact O-OG1 2.97Å
406V32.1Very low33.1Very low26 Ų2683.3 Ų83.316%0.15841%0.414CS..Hα-helixtrans-73.7-41.3177.5171.10000112.2Q402 N403 I404 T409 E410 I427 Q429Q402-V406 PolarHBondContact O-N 3.09Å; N403-V406 PolarHBondContact O-N 3.01Å; I404-V406 VanDerWaalsContact C-N 3.33Å; I404-V406 PolarHBondContact O-N 3.13Å; V406-T409 WeakPolarHBondContact CA-OG1 3.46Å; V406-T409 PolarHBondContact O-N 2.72Å; V406-T409 PolarHBondContact O-OG1 3.13Å; V406-E410 HydrophobicContact CG1-CG 4.49Å; V406-E410 PolarHBondContact O-N 3.47Å; V406-I427 HydrophobicContact CG2-CG2 4.27Å; V406-Q429 VanDerWaalsContact CG2-CD 3.42Å; V406-Q429 HydrophobicContact CG2-CG 3.57Å
407I32.9Very low32.8Very low88 Ų8883.9 Ų83.945%0.45142%0.418SS..Hα-helixtrans-64.6-45.5175.6-66.8165.4000110.2N403 I404 T409 Y411N403-I407 WeakPolarHBondContact O-CB 3.45Å; N403-I407 WeakPolarHBondContact O-CD1 3.44Å; N403-I407 VanDerWaalsContact O-CG1 3.23Å; N403-I407 WeakPolarHBondContact O-CG1 3.39Å; N403-I407 PolarHBondContact O-N 2.99Å; I404-I407 PolarHBondContact O-N 3.21Å; I407-T409 PolarHBondContact O-N 2.97Å; I407-Y411 HydrophobicContact CG2-CD2 4.17Å; I407-Y411 VanDerWaalsContact O-CB 3.29Å; I407-Y411 WeakPolarHBondContact O-CB 3.15Å; I407-Y411 PolarHBondContact O-N 3.03Å
408T30.7Very low32.5Very low32 Ų3287 Ų8720%0.19643%0.43CS..Hα-helixtrans-61.7-34.1178.855.30000111.3I95 I404 Q405 A412I95-T408 HydrophobicContact CB-CG2 4.5Å; I95-T408 HydrophobicContact CD1-CG2 4.49Å; I95-T408 HydrophobicContact CG2-CG2 4.1Å; I404-T408 HydrophobicContact CG2-CG2 4.04Å; I404-T408 WeakPolarHBondContact O-CB 3.48Å; I404-T408 VanDerWaalsContact O-CG2 3.24Å; I404-T408 WeakPolarHBondContact O-CG2 3.49Å; I404-T408 PolarHBondContact O-N 2.94Å; I404-T408 PolarHBondContact O-OG1 3.2Å; Q405-T408 WeakPolarHBondContact CA-OG1 3.42Å; Q405-T408 PolarHBondContact O-OG1 2.96Å; T408-A412 WeakPolarHBondContact O-CA 3.27Å; T408-A412 WeakPolarHBondContact O-CB 3.09Å; T408-A412 PolarHBondContact O-N 3.27Å
409T32.8Very low32.4Very low44 Ų4488.6 Ų88.627%0.2744%0.435SS..Hα-helixtrans-84.5-40.5-177.453.40000113.9Q405 V406 I407 A412 Y413 I427Q405-T409 VanDerWaalsContact O-CB 3.3Å; Q405-T409 WeakPolarHBondContact O-CB 3.49Å; Q405-T409 WeakPolarHBondContact O-CG2 3.5Å; Q405-T409 PolarHBondContact O-N 2.48Å; Q405-T409 VanDerWaalsContact O-N 3.11Å; Q405-T409 PolarHBondContact O-OG1 2.97Å; V406-T409 WeakPolarHBondContact CA-OG1 3.46Å; V406-T409 PolarHBondContact O-N 2.72Å; V406-T409 PolarHBondContact O-OG1 3.13Å; I407-T409 PolarHBondContact O-N 2.97Å; T409-A412 PolarHBondContact O-N 3.36Å; T409-Y413 VanDerWaalsContact O-CB 3.29Å; T409-Y413 WeakPolarHBondContact O-CB 3.37Å; T409-Y413 PolarHBondContact O-N 2.91Å; T409-I427 HydrophobicContact CG2-CD1 3.3Å; T409-I427 WeakPolarHBondContact OG1-CD1 3.41Å
410E30.9Very low32Very low137 Ų13794.5 Ų94.564%0.6446%0.455SS*.Hα-helixtrans-63.7-42.3171.3-80.1-176155.100111.1V406 Y413 D414V406-E410 HydrophobicContact CG1-CG 4.49Å; V406-E410 PolarHBondContact O-N 3.47Å; E410-Y413 PolarHBondContact O-N 3.38Å; E410-D414 PolarHBondContact O-N 3.17Å
411Y33.5Very low31.4Very low116 Ų11696.5 Ų96.546%0.45547%0.473SS..Hα-helixtrans-71.1-38.3174.1-99.9-93.9000113.3I407 Y413 D414 H415I407-Y411 HydrophobicContact CG2-CD2 4.17Å; I407-Y411 VanDerWaalsContact O-CB 3.29Å; I407-Y411 WeakPolarHBondContact O-CB 3.15Å; I407-Y411 PolarHBondContact O-N 3.03Å; Y411-Y413 PolarHBondContact O-N 3.24Å; Y411-D414 PolarHBondContact O-N 3.04Å; Y411-H415 AromaticContact CD1-CD2 3.88Å; Y411-H415 PolarHBondContact O-CD2 2.66Å; Y411-H415 PolarHBondContact O-N 3.31Å; Y411-H415 VanDerWaalsContact O-N 3.14Å
412A31.1Very low30.8Very low35 Ų3599.8 Ų99.829%0.28950%0.499SS..Hα-helixtrans-64.3-32.8176.400000111.3T408 T409 H415 Y416T408-A412 WeakPolarHBondContact O-CA 3.27Å; T408-A412 WeakPolarHBondContact O-CB 3.09Å; T408-A412 PolarHBondContact O-N 3.27Å; T409-A412 PolarHBondContact O-N 3.36Å; A412-H415 PolarHBondContact O-N 3.39Å; A412-Y416 HydrophobicContact CB-CD2 4.21Å; A412-Y416 WeakPolarHBondContact O-CB 3.4Å; A412-Y416 PolarHBondContact O-N 3.03Å
413Y33.6Very low30.7Very low103 Ų103102.4 Ų102.440%0.40452%0.52SS..Hα-helixtrans-67-39.6178.4-149.7-89.8000112.2T409 E410 Y411 S417 P424T409-Y413 VanDerWaalsContact O-CB 3.29Å; T409-Y413 WeakPolarHBondContact O-CB 3.37Å; T409-Y413 PolarHBondContact O-N 2.91Å; E410-Y413 PolarHBondContact O-N 3.38Å; Y411-Y413 PolarHBondContact O-N 3.24Å; Y413-S417 PolarHBondContact O-OG 3.43Å; Y413-P424 WeakPolarHBondContact OH-CA 2.84Å; Y413-P424 VanDerWaalsContact OH-CB 3.26Å; Y413-P424 WeakPolarHBondContact OH-CB 3.42Å
414D30.6Very low30.3Very low136 Ų136103.2 Ų103.273%0.72753%0.53SS*.Hα-helixtrans-73.4-29.1177.1-82.5-13.1000113.4E410 Y411E410-D414 PolarHBondContact O-N 3.17Å; Y411-D414 PolarHBondContact O-N 3.04Å
415H34.2Very low30.1Very low105 Ų105108.6 Ų108.649%0.48656%0.557SS.*Hα-helixtrans-106.5-26.8-172-75.6-79.2000116.6Y411 A412Y411-H415 AromaticContact CD1-CD2 3.88Å; Y411-H415 PolarHBondContact O-CD2 2.66Å; Y411-H415 PolarHBondContact O-N 3.31Å; Y411-H415 VanDerWaalsContact O-N 3.14Å; A412-H415 PolarHBondContact O-N 3.39Å
416Y30.5Very low29.9Very low171 Ų171109.4 Ų109.467%0.67157%0.568SS**SBendtrans-900.2179.5-80.6-87.4000114.7A412 L418A412-Y416 HydrophobicContact CB-CD2 4.21Å; A412-Y416 WeakPolarHBondContact O-CB 3.4Å; A412-Y416 PolarHBondContact O-N 3.03Å; Y416-L418 PolarHBondContact O-N 2.92Å
417S28.5Very low29.6Very low73 Ų73112.1 Ų112.151%0.5158%0.581SS.*THydrogen-bonded Turntrans-66.85.5178.4-76.50000115.7Y413Y413-S417 PolarHBondContact O-OG 3.43Å
418L30.1Very low29.7Very low168 Ų168114.5 Ų114.588%0.8859%0.594SS**THydrogen-bonded Turntrans-98.7-2.5178.9-78170.2000116Y416Y416-L418 PolarHBondContact O-N 2.92Å
419K28.2Very low29.5Very low184 Ų184117.4 Ų117.480%0.861%0.606SS**THydrogen-bonded Turntrans-116.7-13.2173.3-84.9-172.8177.2-179.80116.7
420Y26.5Very low29.4Very low202 Ų202121.9 Ų121.979%0.79263%0.633SS**SBendtrans-141.8113173.1-64.7-79.2000110.3S422Y420-S422 PolarHBondContact O-N 2.94Å
421P24.3Very low29.2Very low120 Ų120119.8 Ų119.878%0.77963%0.629SS**  trans-75.1118174.629-28.7000109.7
422S23.9Very low28.9Very low110 Ų110120.8 Ų120.877%0.76964%0.641SS**  trans84.4103.6157.6-33.90000118.3Y420Y420-S422 PolarHBondContact O-N 2.94Å
423T26.7Very low28.6Very low117 Ų117126 Ų12672%0.71866%0.664SS**  -163.9128.1116.129.20000110.1I425T423-I425 PolarHBondContact O-N 3.47Å
424P26.7Very low28.3Very low100 Ų100129.2 Ų129.265%0.64969%0.688SS**  trans-78.3114.3178.6-3.220000112.8Y413Y413-P424 WeakPolarHBondContact OH-CA 2.84Å; Y413-P424 VanDerWaalsContact OH-CB 3.26Å; Y413-P424 WeakPolarHBondContact OH-CB 3.42Å
425I31.4Very low28.2Very low132 Ų132131.4 Ų131.468%0.67769%0.692SS**  trans-87.7111166.2-62.7175.2000106.6T423 I427T423-I425 PolarHBondContact O-N 3.47Å; I425-I427 HydrophobicContact CG2-CG1 4.41Å
426T28.2Very low27.9Very low99 Ų99136.2 Ų136.261%0.60771%0.711SS**  trans-84.3115174.9-480000108.2N428T426-N428 PolarHBondContact O-N 3.2Å
427I26.8Very low28Very low82 Ų82136.4 Ų136.442%0.42172%0.715SS.*  trans-90104.3175.7-67.3166.6000107.3V406 T409 I425V406-I427 HydrophobicContact CG2-CG2 4.27Å; T409-I427 HydrophobicContact CG2-CD1 3.3Å; T409-I427 WeakPolarHBondContact OG1-CD1 3.41Å; I425-I427 HydrophobicContact CG2-CG1 4.41Å
428N33.6Very low28.4Very low138 Ų138139.7 Ų139.774%0.73872%0.723SS**  trans-100.7105.8160.2-72.6-13.7000106.8T426 T430T426-N428 PolarHBondContact O-N 3.2Å; N428-T430 PolarHBondContact O-N 2.95Å
429Q27.1Very low28.8Very low94 Ų94140.9 Ų140.944%0.43972%0.724SS.*  trans-49.2127.3152.8-67.5171.5-40.300108.4V406V406-Q429 VanDerWaalsContact CG2-CD 3.42Å; V406-Q429 HydrophobicContact CG2-CG 3.57Å
430T30Very low29.4Very low138 Ų138141.4 Ų141.485%0.84772%0.721SS**  -174.3126.3129.3240000108.5N428N428-T430 PolarHBondContact O-N 2.95Å
431V26.7Very low30.3Very low92 Ų92139.9 Ų139.956%0.55873%0.726SS**  trans-62.9159.7178.8-169.90000110.3
432I28.2Very low32Very low138 Ų138141.3 Ų141.371%0.70872%0.721SS**  trans112.8111.6148.5-55.6-178.4000115.2
433N25.1Very low34.2Very low143 Ų143145.4 Ų145.477%0.76572%0.724SS**  trans8786.2152.2-66.4-11.9000119.5K435N433-K435 PolarHBondContact O-N 3.49Å
434N26.1Very low37.2Very low171 Ų171147.4 Ų147.491%0.91472%0.719SS**  trans-28.593.8139.8-70.5-19.2000113.4
435K28.4Very low40.3Very low183 Ų183144.7 Ų144.780%0.79670%0.7SS**  trans-125.5104.5148.6-78.4-172.3177.8177.50108.8N433 F437N433-K435 PolarHBondContact O-N 3.49Å; K435-F437 PolarHBondContact O-N 2.89Å; K435-F437 VanDerWaalsContact O-N 3.16Å
436K28.4Very low43.2Very low205 Ų205143.3 Ų143.389%0.89169%0.693SS**  trans0.595.2159.7-62.2177.5179.1178.70113.8E438K436-E438 PolarHBondContact O-N 3.48Å; K436-E438 VanDerWaalsContact O-N 3.12Å
437F33.8Very low46.2Very low175 Ų175138.7 Ų138.777%0.76867%0.665SS**  trans-80.789.3168.7-93.9-86.7000109.1K435 Q439K435-F437 PolarHBondContact O-N 2.89Å; K435-F437 VanDerWaalsContact O-N 3.16Å; F437-Q439 PolarHBondContact O-N 3.45Å
438E36Very low49.1Very low142 Ų142140 Ų14066%0.66468%0.679SS**  trans-53.3123.5157-76.1-178.916000108.7K436 R440K436-E438 PolarHBondContact O-N 3.48Å; K436-E438 VanDerWaalsContact O-N 3.12Å; E438-R440 PolarHBondContact O-N 2.82Å; E438-R440 IonicContact OE2-NH2 3.89Å
439Q39.5Very low51.5Low193 Ų193138.5 Ų138.590%0.90267%0.671SS**  trans-67.573.4177.2-67.1173.4-8.900110.1F437 N441F437-Q439 PolarHBondContact O-N 3.45Å; Q439-N441 PolarHBondContact O-N 3.44Å
440R40.1Very low54.4Low195 Ų195136.7 Ų136.774%0.73667%0.668SS**  trans-75121.7167.3-74.2-175.9-176.9178.71.2108.2E438 K442E438-R440 PolarHBondContact O-N 2.82Å; E438-R440 IonicContact OE2-NH2 3.89Å; R440-K442 VanDerWaalsContact C-N 3.3Å; R440-K442 WeakPolarHBondContact O-CG 3.39Å; R440-K442 PolarHBondContact O-N 3.15Å
441N46.2Very low57Low170 Ų170132.3 Ų132.391%0.90965%0.65SS**  trans-40.179.6174.4-65.3-52.9000113.8Q439 K443Q439-N441 PolarHBondContact O-N 3.44Å; N441-K443 PolarHBondContact O-N 3.27Å
442K59.9Low60.1Low151 Ų151134 Ų13466%0.65765%0.65SS**PPolyproline II helixtrans-75.1119.9179.1-78.7174.2-173.7174.90108.8R440 R444R440-K442 VanDerWaalsContact C-N 3.3Å; R440-K442 WeakPolarHBondContact O-CG 3.39Å; R440-K442 PolarHBondContact O-N 3.15Å; K442-R444 PolarHBondContact O-N 2.62Å
443K69.3Low63.1Low196 Ų196130.3 Ų130.385%0.85263%0.634SS**PPolyproline II helixtrans-59.7119.1176.4-169.2174.1-178.7176.50109.6N441N441-K443 PolarHBondContact O-N 3.27Å
444R89.5Confident66.4Low159 Ų159125.1 Ų125.160%0.660%0.604SS**PPolyproline II helixtrans-56.1135.2177.3-169.1179.9-96.6-113.86.3110.2K442 T453 F454K442-R444 PolarHBondContact O-N 2.62Å; R444-T453 WeakPolarHBondContact CD-OG1 3.42Å; R444-T453 PolarHBondContact NH1-OG1 3.25Å; R444-F454 WeakPolarHBondContact CA-O 3.25Å; R444-F454 WeakPolarHBondContact CG-O 3.42Å
445V92.7Very high69.6Low43 Ų43121.1 Ų121.126%0.26159%0.589SS.*EExtended strand (participates in β ladder)trans-103146.4-179.1-63.90000110.6T453 F454 D456 L460V445-T453 CarbonylContact O-C 3.6Å; V445-T453 WeakPolarHBondContact O-CA 3.49Å; V445-F454 HydrophobicContact CG2-CB 4.08Å; V445-F454 PolarHBondContact N-O 3.48Å; V445-F454 PolarHBondContact O-N 2.92Å; V445-D456 WeakPolarHBondContact CG2-O 3.34Å; V445-L460 HydrophobicContact CB-CD2 4.23Å; V445-L460 HydrophobicContact CG2-CB 3.93Å; V445-L460 HydrophobicContact CG2-CD2 3.99Å
446I92.4Very high72.7Confident103 Ų103115.9 Ų115.953%0.52857%0.57SS.*EExtended strand (participates in β ladder)trans-116.3136.7-172.4-49.9-171000109.5G451 K452 T453I446-G451 VanDerWaalsContact CG2-O 3.31Å; I446-G451 WeakPolarHBondContact CG2-O 3.28Å; I446-K452 CarbonylContact C-O 3.6Å; I446-K452 WeakPolarHBondContact CA-O 3.41Å; I446-T453 HydrophobicContact CB-CG2 4.42Å; I446-T453 HydrophobicContact CD1-CG2 3.84Å; I446-T453 HydrophobicContact CG1-CG2 3.71Å; I446-T453 HydrophobicContact CG2-CG2 4.19Å
447C91.3Very high75.6Confident1 Ų1114.2 Ų114.21%0.00756%0.562CS.*  trans-70124173.7178.70000110.3N449 G451 K452 F454 L460 H468C447-N449 VanDerWaalsContact C-N 3.25Å; C447-N449 PolarHBondContact O-N 3.1Å; C447-G451 VanDerWaalsContact O-CA 3.27Å; C447-G451 WeakPolarHBondContact O-CA 3.46Å; C447-G451 PolarHBondContact O-N 3.06Å; C447-K452 PolarHBondContact N-O 3.43Å; C447-F454 HydrophobicContact CB-CE2 3.77Å; C447-L460 VanDerWaalsContact CA-CD1 3.44Å; C447-L460 HydrophobicContact CB-CD1 3.45Å; C447-L460 VanDerWaalsContact CB-CD1 3.45Å; C447-H468 VanDerWaalsContact SG-CD2 3.54Å; C447-H468 PolarHBondContact SG-NE2 3.07Å; C447-H468 VanDerWaalsContact SG-NE2 3.4Å
448P87Confident78.4Confident111 Ų111107.7 Ų107.772%0.72154%0.544SS*.THydrogen-bonded Turntrans-67.9-24.1-178.226.3-32.8000113.2
449N83.5Confident81.1Confident105 Ų105102.4 Ų102.456%0.56153%0.525SS*.THydrogen-bonded Turntrans-87.4-32.3-176-66.273.1000113.9C447 H464C447-N449 VanDerWaalsContact C-N 3.25Å; C447-N449 PolarHBondContact O-N 3.1Å; N449-H464 PolarHBondContact OD1-NE2 3.23Å
450C87.3Confident83.7Confident56 Ų5694.5 Ų94.538%0.37849%0.489SS..THydrogen-bonded Turntrans-126.1-4.1-176.370.50000114.8K452 H463C450-K452 PolarHBondContact O-N 3.25Å; C450-H463 PolarHBondContact SG-NE2 3.37Å
451G85.8Confident86.2Confident46 Ų4693 Ų9347%0.47449%0.487SS..  trans71.52.8179.200000115.1I446 C447I446-G451 VanDerWaalsContact CG2-O 3.31Å; I446-G451 WeakPolarHBondContact CG2-O 3.28Å; C447-G451 VanDerWaalsContact O-CA 3.27Å; C447-G451 WeakPolarHBondContact O-CA 3.46Å; C447-G451 PolarHBondContact O-N 3.06Å
452K92.2Very high88.2Confident129 Ų12989.6 Ų89.656%0.56147%0.468SS*.  trans-66.9143.9176.9-70.8-175.1-179.9-172.70110.9I446 C447 C450 F454I446-K452 CarbonylContact C-O 3.6Å; I446-K452 WeakPolarHBondContact CA-O 3.41Å; C447-K452 PolarHBondContact N-O 3.43Å; C450-K452 PolarHBondContact O-N 3.25Å; K452-F454 HydrophobicContact CB-CE2 3.65Å; K452-F454 HydrophobicContact CB-CZ 3.66Å; K452-F454 WeakPolarHBondContact O-CD2 3.36Å; K452-F454 WeakPolarHBondContact O-CE2 3.27Å
453T91Very high89.7Confident59 Ų5983.5 Ų83.536%0.36244%0.442SS..EExtended strand (participates in β ladder)trans-107.4136.9-175.767.70000111.1R444 V445 I446R444-T453 WeakPolarHBondContact CD-OG1 3.42Å; R444-T453 PolarHBondContact NH1-OG1 3.25Å; V445-T453 CarbonylContact O-C 3.6Å; V445-T453 WeakPolarHBondContact O-CA 3.49Å; I446-T453 HydrophobicContact CB-CG2 4.42Å; I446-T453 HydrophobicContact CD1-CG2 3.84Å; I446-T453 HydrophobicContact CG1-CG2 3.71Å; I446-T453 HydrophobicContact CG2-CG2 4.19Å
454F93.9Very high90.5Very high34 Ų3476.6 Ų76.615%0.14941%0.413CS..EExtended strand (participates in β ladder)trans-127.4146.4-171.7-59.2-87.1000110.4R444 V445 C447 K452 D456 A459 L460 H463R444-F454 WeakPolarHBondContact CA-O 3.25Å; R444-F454 WeakPolarHBondContact CG-O 3.42Å; V445-F454 HydrophobicContact CG2-CB 4.08Å; V445-F454 PolarHBondContact N-O 3.48Å; V445-F454 PolarHBondContact O-N 2.92Å; C447-F454 HydrophobicContact CB-CE2 3.77Å; K452-F454 HydrophobicContact CB-CE2 3.65Å; K452-F454 HydrophobicContact CB-CZ 3.66Å; K452-F454 WeakPolarHBondContact O-CD2 3.36Å; K452-F454 WeakPolarHBondContact O-CE2 3.27Å; F454-D456 PolarHBondContact O-N 3.46Å; F454-A459 HydrophobicContact CB-CB 4.25Å; F454-A459 HydrophobicContact CD1-CB 4.21Å; F454-L460 HydrophobicContact CB-CB 4.21Å; F454-L460 HydrophobicContact CD2-CB 4.01Å; F454-L460 HydrophobicContact CD2-CD1 3.69Å; F454-L460 HydrophobicContact CD2-CG 4.42Å; F454-L460 HydrophobicContact CE2-CD1 3.8Å; F454-L460 HydrophobicContact CG-CB 4.14Å; F454-H463 HydrophobicContact CD1-CB 4.32Å; F454-H463 HydrophobicContact CE1-CB 3.52Å; F454-H463 AromaticContact CE1-CG 3.6Å; F454-H463 HydrophobicContact CE2-CB 4.35Å; F454-H463 AromaticContact CE2-CD2 3.61Å; F454-H463 AromaticContact CE2-CG 3.94Å; F454-H463 HydrophobicContact CZ-CB 3.56Å; F454-H463 AromaticContact CZ-CD2 3.24Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.33Å; F454-H463 AromaticContact CZ-CE1 3.89Å; F454-H463 AromaticContact CZ-CG 3.13Å; F454-H463 AromaticContact CZ-ND1 3.57Å; F454-H463 AromaticContact CZ-NE2 3.72Å
455C92.6Very high90.2Very high87 Ų8771.9 Ų71.959%0.58840%0.404SS*.SBendtrans-61.3-31.3-179.8530000112.5
456D93.5Very high89.6Confident74 Ų7473 Ų7340%0.39642%0.417SS..SBendtrans-150.8172.8-178.867.710.9000113.2V445 F454 G458 A459 L460V445-D456 WeakPolarHBondContact CG2-O 3.34Å; F454-D456 PolarHBondContact O-N 3.46Å; D456-G458 VanDerWaalsContact C-N 3.27Å; D456-G458 PolarHBondContact O-N 3.4Å; D456-G458 PolarHBondContact OD1-N 3.08Å; D456-A459 WeakPolarHBondContact OD1-CB 3.32Å; D456-A459 PolarHBondContact OD1-N 3.32Å; D456-L460 PolarHBondContact O-N 3.14Å
457K90.2Very high88.8Confident170 Ų17071.3 Ų71.374%0.73941%0.412SS*.Hα-helixtrans-68.1-26179.7-164.9174.9-177.8-177.10112.5K461K457-K461 WeakPolarHBondContact O-CB 3.45Å; K457-K461 PolarHBondContact O-N 3.44Å
458G93.1Very high88.3Confident37 Ų3773.6 Ų73.638%0.38142%0.423SS..Hα-helixtrans-69.9-52.5179.300000111.9D456 L460 K461 I462D456-G458 VanDerWaalsContact C-N 3.27Å; D456-G458 PolarHBondContact O-N 3.4Å; D456-G458 PolarHBondContact OD1-N 3.08Å; G458-L460 VanDerWaalsContact C-N 3.27Å; G458-L460 PolarHBondContact O-N 3.16Å; G458-K461 WeakPolarHBondContact O-CA 3.49Å; G458-K461 WeakPolarHBondContact O-CB 2.98Å; G458-K461 PolarHBondContact O-N 3.47Å; G458-I462 WeakPolarHBondContact O-CG1 3.5Å; G458-I462 PolarHBondContact O-N 3.39Å
459A92.9Very high87.5Confident31 Ų3172.5 Ų72.526%0.25641%0.41SS..Hα-helixtrans-58.4-39.8174.300000111.5F454 D456 K461 I462 H463F454-A459 HydrophobicContact CB-CB 4.25Å; F454-A459 HydrophobicContact CD1-CB 4.21Å; D456-A459 WeakPolarHBondContact OD1-CB 3.32Å; D456-A459 PolarHBondContact OD1-N 3.32Å; A459-K461 VanDerWaalsContact C-N 3.34Å; A459-K461 PolarHBondContact O-N 3.31Å; A459-I462 PolarHBondContact O-N 2.91Å; A459-H463 VanDerWaalsContact O-CB 3.25Å; A459-H463 WeakPolarHBondContact O-CB 3.44Å; A459-H463 PolarHBondContact O-N 3.44Å
460L93.3Very high86.4Confident28 Ų2877.2 Ų77.215%0.14743%0.425CS..Hα-helixtrans-61.1-41.7172.5173.359.8000112V445 C447 F454 D456 G458 H463 H464V445-L460 HydrophobicContact CB-CD2 4.23Å; V445-L460 HydrophobicContact CG2-CB 3.93Å; V445-L460 HydrophobicContact CG2-CD2 3.99Å; C447-L460 VanDerWaalsContact CA-CD1 3.44Å; C447-L460 HydrophobicContact CB-CD1 3.45Å; C447-L460 VanDerWaalsContact CB-CD1 3.45Å; F454-L460 HydrophobicContact CB-CB 4.21Å; F454-L460 HydrophobicContact CD2-CB 4.01Å; F454-L460 HydrophobicContact CD2-CD1 3.69Å; F454-L460 HydrophobicContact CD2-CG 4.42Å; F454-L460 HydrophobicContact CE2-CD1 3.8Å; F454-L460 HydrophobicContact CG-CB 4.14Å; D456-L460 PolarHBondContact O-N 3.14Å; G458-L460 VanDerWaalsContact C-N 3.27Å; G458-L460 PolarHBondContact O-N 3.16Å; L460-H463 PolarHBondContact O-N 2.94Å; L460-H464 WeakPolarHBondContact O-CB 3.46Å; L460-H464 PolarHBondContact O-N 2.92Å
461K91.9Very high85.5Confident163 Ų16381.1 Ų81.171%0.70944%0.438SS*.Hα-helixtrans-65.9-43.3179.4-164.8-179.6-178.9-173.50111.6K457 G458 A459 H464 S465K457-K461 WeakPolarHBondContact O-CB 3.45Å; K457-K461 PolarHBondContact O-N 3.44Å; G458-K461 WeakPolarHBondContact O-CA 3.49Å; G458-K461 WeakPolarHBondContact O-CB 2.98Å; G458-K461 PolarHBondContact O-N 3.47Å; A459-K461 VanDerWaalsContact C-N 3.34Å; A459-K461 PolarHBondContact O-N 3.31Å; K461-H464 PolarHBondContact O-N 2.99Å; K461-S465 WeakPolarHBondContact O-CB 3.4Å; K461-S465 PolarHBondContact O-N 2.8Å; K461-S465 PolarHBondContact O-OG 3.49Å; K461-S465 VanDerWaalsContact O-OG 3.13Å
462I89.5Confident85.1Confident98 Ų9881.5 Ų81.550%0.50343%0.428SS..Hα-helixtrans-63.1-46.5175.4-63.4167.9000110.3G458 A459 H464 S465 A466G458-I462 WeakPolarHBondContact O-CG1 3.5Å; G458-I462 PolarHBondContact O-N 3.39Å; A459-I462 PolarHBondContact O-N 2.91Å; I462-H464 PolarHBondContact O-N 2.89Å; I462-S465 WeakPolarHBondContact CA-OG 3.47Å; I462-S465 PolarHBondContact O-N 3.2Å; I462-S465 PolarHBondContact O-OG 2.85Å; I462-A466 VanDerWaalsContact O-CB 3.29Å; I462-A466 WeakPolarHBondContact O-CB 3.45Å; I462-A466 PolarHBondContact O-N 3.16Å
463H90.3Very high84.8Confident23 Ų2376.5 Ų76.511%0.10641%0.407CS..Hα-helixtrans-57.7-49.3174.5167.172.7000111.1C450 F454 A459 L460 S465 A466 V467 H468C450-H463 PolarHBondContact SG-NE2 3.37Å; F454-H463 HydrophobicContact CD1-CB 4.32Å; F454-H463 HydrophobicContact CE1-CB 3.52Å; F454-H463 AromaticContact CE1-CG 3.6Å; F454-H463 HydrophobicContact CE2-CB 4.35Å; F454-H463 AromaticContact CE2-CD2 3.61Å; F454-H463 AromaticContact CE2-CG 3.94Å; F454-H463 HydrophobicContact CZ-CB 3.56Å; F454-H463 AromaticContact CZ-CD2 3.24Å; F454-H463 WeakPolarHBondContact CZ-CD2 3.33Å; F454-H463 AromaticContact CZ-CE1 3.89Å; F454-H463 AromaticContact CZ-CG 3.13Å; F454-H463 AromaticContact CZ-ND1 3.57Å; F454-H463 AromaticContact CZ-NE2 3.72Å; A459-H463 VanDerWaalsContact O-CB 3.25Å; A459-H463 WeakPolarHBondContact O-CB 3.44Å; A459-H463 PolarHBondContact O-N 3.44Å; L460-H463 PolarHBondContact O-N 2.94Å; H463-S465 VanDerWaalsContact C-N 3.32Å; H463-S465 PolarHBondContact O-N 2.72Å; H463-A466 PolarHBondContact O-N 3.01Å; H463-V467 WeakPolarHBondContact O-CA 3.43Å; H463-V467 WeakPolarHBondContact O-CB 3.32Å; H463-V467 WeakPolarHBondContact O-CG2 3.47Å; H463-V467 PolarHBondContact O-N 3.13Å; H463-H468 AromaticContact NE2-CD2 3.81Å; H463-H468 AromaticContact NE2-NE2 3.46Å; H463-H468 PolarHBondContact NE2-NE2 3.3Å
464H86.2Confident84.6Confident51 Ų5178.1 Ų78.124%0.23641%0.409CS..Hα-helixtrans-64.7-37-179.1-170-81.7000111.6N449 L460 K461 I462 H468 L469N449-H464 PolarHBondContact OD1-NE2 3.23Å; L460-H464 WeakPolarHBondContact O-CB 3.46Å; L460-H464 PolarHBondContact O-N 2.92Å; K461-H464 PolarHBondContact O-N 2.99Å; I462-H464 PolarHBondContact O-N 2.89Å; H464-H468 AromaticContact CD2-CD2 3.83Å; H464-H468 CarbonylContact O-C 3.58Å; H464-H468 VanDerWaalsContact O-CA 3.26Å; H464-H468 WeakPolarHBondContact O-CA 3.42Å; H464-H468 VanDerWaalsContact O-CB 3.31Å; H464-H468 WeakPolarHBondContact O-CB 3.41Å; H464-H468 PolarHBondContact O-N 3.37Å; H464-L469 WeakPolarHBondContact ND1-CD1 3.31Å; H464-L469 PolarHBondContact O-N 3.2Å
465S82.9Confident84.6Confident61 Ų6176.9 Ų76.943%0.42740%0.404SS..Hα-helixtrans-72.3-36.3176.159.20000113.8K461 I462 H463 L469K461-S465 WeakPolarHBondContact O-CB 3.4Å; K461-S465 PolarHBondContact O-N 2.8Å; K461-S465 PolarHBondContact O-OG 3.49Å; K461-S465 VanDerWaalsContact O-OG 3.13Å; I462-S465 WeakPolarHBondContact CA-OG 3.47Å; I462-S465 PolarHBondContact O-N 3.2Å; I462-S465 PolarHBondContact O-OG 2.85Å; H463-S465 VanDerWaalsContact C-N 3.32Å; H463-S465 PolarHBondContact O-N 2.72Å; S465-L469 CarbonylContact O-C 3.39Å
466A80.2Confident84.5Confident65 Ų6577 Ų7754%0.53740%0.402SS..Hα-helixtrans-80.6-30.5-179.900000113I462 H463I462-A466 VanDerWaalsContact O-CB 3.29Å; I462-A466 WeakPolarHBondContact O-CB 3.45Å; I462-A466 PolarHBondContact O-N 3.16Å; H463-A466 PolarHBondContact O-N 3.01Å
467V76.7Confident84.4Confident68 Ų6876.2 Ų76.241%0.41240%0.398SS..Hα-helixtrans-108.6-29-171.5-175.30000112.8H463 M472H463-V467 WeakPolarHBondContact O-CA 3.43Å; H463-V467 WeakPolarHBondContact O-CB 3.32Å; H463-V467 WeakPolarHBondContact O-CG2 3.47Å; H463-V467 PolarHBondContact O-N 3.13Å; V467-M472 VanDerWaalsContact O-CE 3.3Å; V467-M472 WeakPolarHBondContact O-CE 3.49Å
468H80.6Confident84.2Confident50 Ų5075.8 Ų75.823%0.23140%0.403CS..THydrogen-bonded Turntrans-121.6-10.9-172.7-60.9-55.7000115.7C447 H463 H464C447-H468 VanDerWaalsContact SG-CD2 3.54Å; C447-H468 PolarHBondContact SG-NE2 3.07Å; C447-H468 VanDerWaalsContact SG-NE2 3.4Å; H463-H468 AromaticContact NE2-CD2 3.81Å; H463-H468 AromaticContact NE2-NE2 3.46Å; H463-H468 PolarHBondContact NE2-NE2 3.3Å; H464-H468 AromaticContact CD2-CD2 3.83Å; H464-H468 CarbonylContact O-C 3.58Å; H464-H468 VanDerWaalsContact O-CA 3.26Å; H464-H468 WeakPolarHBondContact O-CA 3.42Å; H464-H468 VanDerWaalsContact O-CB 3.31Å; H464-H468 WeakPolarHBondContact O-CB 3.41Å; H464-H468 PolarHBondContact O-N 3.37Å
469L70.3Confident83.9Confident87 Ų8777.1 Ų77.146%0.45542%0.417SS..SBendtrans-126.6168.7176.4-63.6156.8000109.8H464 S465H464-L469 WeakPolarHBondContact ND1-CD1 3.31Å; H464-L469 PolarHBondContact O-N 3.2Å; S465-L469 CarbonylContact O-C 3.39Å
470K60.3Low83.8Confident204 Ų20475.8 Ų75.889%0.88741%0.406SS*.SBendcis-124-0.7-17.9-153.4-179.2-176.5-175.50111
471E68.8Low83.4Confident138 Ų13878.3 Ų78.365%0.64542%0.42SS*.  trans-127.6100.7171.1-168.6-179.5167.600107.7H473E471-H473 IonicContact OE1-CE1 3.24Å; E471-H473 PolarHBondContact OE1-CE1 2.72Å; E471-H473 VanDerWaalsContact OE1-CE1 3.24Å; E471-H473 IonicContact OE1-ND1 3.89Å
472M76.4Confident83.2Confident54 Ų5474.1 Ų74.127%0.26640%0.403SS..  trans-98.1129.9176-71.8-78.1147.800107.9V467 W483V467-M472 VanDerWaalsContact O-CE 3.3Å; V467-M472 WeakPolarHBondContact O-CE 3.49Å; M472-W483 HydrophobicContact CB-CB 4.31Å; M472-W483 HydrophobicContact CB-CD2 4.18Å; M472-W483 HydrophobicContact CB-CE3 3.43Å; M472-W483 VanDerWaalsContact CB-CE3 3.43Å; M472-W483 HydrophobicContact CB-CZ3 4.04Å; M472-W483 VanDerWaalsContact O-CZ3 3.25Å; M472-W483 WeakPolarHBondContact O-CZ3 3.33Å; M472-W483 HydrophobicContact SD-CB 4.42Å
473H87.1Confident83.1Confident25 Ų2576.6 Ų76.612%0.11641%0.407CS..EExtended strand (participates in β ladder)trans-95.6112.2176.8-53.7-75.3000109.9E471 F484 R487 R490E471-H473 IonicContact OE1-CE1 3.24Å; E471-H473 PolarHBondContact OE1-CE1 2.72Å; E471-H473 VanDerWaalsContact OE1-CE1 3.24Å; E471-H473 IonicContact OE1-ND1 3.89Å; H473-F484 PolarHBondContact N-O 3.5Å; H473-F484 WeakPolarHBondContact O-CD2 3.33Å; H473-F484 PolarHBondContact O-N 3.47Å; H473-F484 VanDerWaalsContact O-N 3.08Å; H473-R487 PolarHBondContact CD2-N 2.85Å; H473-R487 WeakPolarHBondContact ND1-CD 3.44Å; H473-R487 PolarHBondContact NE2-N 3.06Å; H473-R490 HydrophobicContact CB-CB 3.94Å; H473-R490 HydrophobicContact CB-CG 3.87Å
474K86.5Confident83Confident93 Ų9377.5 Ų77.540%0.40441%0.41SS..EExtended strand (participates in β ladder)trans-67142.5173.7-164.1-178.4176.8178.60110.6C480 N481 W483 R490K474-C480 WeakPolarHBondContact CE-O 3.32Å; K474-N481 PolarHBondContact NZ-OD1 3.12Å; K474-W483 HydrophobicContact CB-CD2 4.1Å; K474-W483 HydrophobicContact CB-CE3 3.77Å; K474-W483 HydrophobicContact CB-CH2 3.92Å; K474-W483 HydrophobicContact CB-CZ2 4.17Å; K474-W483 HydrophobicContact CB-CZ3 3.7Å; K474-W483 HydrophobicContact CD-CH2 4.42Å; K474-W483 HydrophobicContact CD-CZ2 4.11Å; K474-W483 HydrophobicContact CG-CD2 4.34Å; K474-W483 HydrophobicContact CG-CE3 4.49Å; K474-W483 HydrophobicContact CG-CH2 4.41Å; K474-W483 HydrophobicContact CG-CZ2 4.17Å; K474-R490 WeakPolarHBondContact O-CG 3.47Å
475C92.5Very high82.8Confident7 Ų778.8 Ų78.85%0.04743%0.425CS..  trans-55.4141.1166.3-173.80000110.8I477 C480 M482 F484 H493C475-I477 PolarHBondContact SG-N 3.48Å; C475-C480 HydrophobicContact CB-CB 3.87Å; C475-C480 VanDerWaalsContact CB-SG 3.55Å; C475-C480 VanDerWaalsContact SG-SG 3.66Å; C475-M482 HydrophobicContact CB-CB 4.44Å; C475-M482 PolarHBondContact N-O 3.08Å; C475-F484 HydrophobicContact CB-CE2 4.4Å; C475-H493 PolarHBondContact SG-CD2 3.29Å
476T91.5Very high82.8Confident89 Ų8978 Ų7855%0.54642%0.419SS..  trans-90.7-4.3-179.147.40000113.8R490T476-R490 VanDerWaalsContact CG2-NH1 3.26Å
477I90.8Very high83.2Confident58 Ų5881.4 Ų81.430%0.29742%0.418SS..SBendtrans-79129178.3-72.5173000109.8C475 G479 C480 S494 H502C475-I477 PolarHBondContact SG-N 3.48Å; I477-G479 PolarHBondContact O-N 2.92Å; I477-C480 HydrophobicContact CB-CB 4.31Å; I477-C480 WeakPolarHBondContact O-CB 3.46Å; I477-C480 PolarHBondContact O-N 3.33Å; I477-S494 WeakPolarHBondContact CD1-O 3.25Å; I477-H502 WeakPolarHBondContact CD1-CE1 3.26Å; I477-H502 WeakPolarHBondContact CD1-NE2 3.29Å; I477-H502 HydrophobicContact CG2-CB 4.22Å
478N87Confident83.9Confident161 Ų16188 Ų8886%0.86144%0.436SS*.THydrogen-bonded Turntrans-54.7127.2177.4-78.416.9000110.9
479G85.8Confident84.3Confident65 Ų6587.2 Ų87.267%0.6744%0.436SS*.THydrogen-bonded Turntrans90-10.4-177.300000115.3I477I477-G479 PolarHBondContact O-N 2.92Å
480C90.9Very high85.4Confident3 Ų384 Ų842%0.0242%0.418CS..  trans-89.6120.1177.7-168.10000111.9K474 C475 I477 H493 H502K474-C480 WeakPolarHBondContact CE-O 3.32Å; C475-C480 HydrophobicContact CB-CB 3.87Å; C475-C480 VanDerWaalsContact CB-SG 3.55Å; C475-C480 VanDerWaalsContact SG-SG 3.66Å; I477-C480 HydrophobicContact CB-CB 4.31Å; I477-C480 WeakPolarHBondContact O-CB 3.46Å; I477-C480 PolarHBondContact O-N 3.33Å; C480-H493 PolarHBondContact SG-NE2 3.12Å; C480-H502 HydrophobicContact CB-CB 4Å
481N86.2Confident87Confident82 Ų8277.9 Ų77.944%0.43939%0.394SS..  trans-102.323.3176.2-68.3-29.2000113.6K474 W483 L504K474-N481 PolarHBondContact NZ-OD1 3.12Å; N481-W483 VanDerWaalsContact O-CD1 3.31Å; N481-L504 HydrophobicContact CB-CD1 4.01Å; N481-L504 HydrophobicContact CB-CD2 4.17Å; N481-L504 HydrophobicContact CB-CG 4.45Å
482M87.9Confident88.2Confident74 Ų7480.3 Ų80.337%0.36540%0.398SS..  trans-76.5141.3177.3-68.9-68.1125.100112C475 F484 L504C475-M482 HydrophobicContact CB-CB 4.44Å; C475-M482 PolarHBondContact N-O 3.08Å; M482-F484 HydrophobicContact CB-CE2 3.83Å; M482-F484 HydrophobicContact CB-CZ 3.92Å; M482-L504 HydrophobicContact CE-CD2 3.46Å; M482-L504 VanDerWaalsContact CE-CD2 3.46Å
483W85.6Confident89Confident151 Ų15179 Ų7957%0.57239%0.391SS*.EExtended strand (participates in β ladder)trans-122.9144.8178.5-66.990.6000110.8M472 K474 N481M472-W483 HydrophobicContact CB-CB 4.31Å; M472-W483 HydrophobicContact CB-CD2 4.18Å; M472-W483 HydrophobicContact CB-CE3 3.43Å; M472-W483 VanDerWaalsContact CB-CE3 3.43Å; M472-W483 HydrophobicContact CB-CZ3 4.04Å; M472-W483 VanDerWaalsContact O-CZ3 3.25Å; M472-W483 WeakPolarHBondContact O-CZ3 3.33Å; M472-W483 HydrophobicContact SD-CB 4.42Å; K474-W483 HydrophobicContact CB-CD2 4.1Å; K474-W483 HydrophobicContact CB-CE3 3.77Å; K474-W483 HydrophobicContact CB-CH2 3.92Å; K474-W483 HydrophobicContact CB-CZ2 4.17Å; K474-W483 HydrophobicContact CB-CZ3 3.7Å; K474-W483 HydrophobicContact CD-CH2 4.42Å; K474-W483 HydrophobicContact CD-CZ2 4.11Å; K474-W483 HydrophobicContact CG-CD2 4.34Å; K474-W483 HydrophobicContact CG-CE3 4.49Å; K474-W483 HydrophobicContact CG-CH2 4.41Å; K474-W483 HydrophobicContact CG-CZ2 4.17Å; N481-W483 VanDerWaalsContact O-CD1 3.31Å
484F88.6Confident89.2Confident41 Ų4179.1 Ų79.118%0.1839%0.394CS..EExtended strand (participates in β ladder)trans-132.1144.8-175.9-58.6-88.7000111.7H473 C475 M482 S486 R490 H493H473-F484 PolarHBondContact N-O 3.5Å; H473-F484 WeakPolarHBondContact O-CD2 3.33Å; H473-F484 PolarHBondContact O-N 3.47Å; H473-F484 VanDerWaalsContact O-N 3.08Å; C475-F484 HydrophobicContact CB-CE2 4.4Å; M482-F484 HydrophobicContact CB-CE2 3.83Å; M482-F484 HydrophobicContact CB-CZ 3.92Å; F484-S486 PolarHBondContact O-N 3.16Å; F484-R490 HydrophobicContact CB-CB 3.92Å; F484-R490 HydrophobicContact CD2-CB 3.58Å; F484-R490 HydrophobicContact CD2-CG 3.75Å; F484-R490 HydrophobicContact CE2-CB 4.41Å; F484-R490 HydrophobicContact CE2-CG 4.36Å; F484-R490 HydrophobicContact CG-CB 3.89Å; F484-H493 HydrophobicContact CE1-CB 3.86Å; F484-H493 HydrophobicContact CE2-CB 3.94Å; F484-H493 AromaticContact CE2-CD2 3.58Å; F484-H493 AromaticContact CE2-CG 3.81Å; F484-H493 HydrophobicContact CZ-CB 3.36Å; F484-H493 AromaticContact CZ-CD2 3.43Å; F484-H493 VanDerWaalsContact CZ-CD2 3.43Å; F484-H493 WeakPolarHBondContact CZ-CD2 3.29Å; F484-H493 AromaticContact CZ-CG 3.22Å; F484-H493 AromaticContact CZ-ND1 3.66Å; F484-H493 AromaticContact CZ-NE2 3.97Å
485S82.1Confident89.5Confident78 Ų7878.4 Ų78.455%0.54541%0.406SS..SBendtrans-72.8-7.9175.757.40000114.5
486S83.3Confident89.3Confident44 Ų4481.1 Ų81.131%0.30842%0.42SS..SBendtrans-144150.1177.685.90000112.3F484 R488 S489 R490F484-S486 PolarHBondContact O-N 3.16Å; S486-R488 VanDerWaalsContact C-N 3.26Å; S486-R488 PolarHBondContact O-N 3.47Å; S486-S489 PolarHBondContact O-OG 2.95Å; S486-S489 VanDerWaalsContact O-OG 3.09Å; S486-S489 PolarHBondContact OG-N 3.3Å; S486-S489 VanDerWaalsContact OG-N 3.11Å; S486-S489 PolarHBondContact OG-OG 3.46Å; S486-R490 PolarHBondContact O-N 2.92Å
487R88.6Confident89Confident137 Ų13783 Ų8352%0.51743%0.434SS..Hα-helixtrans-61.1-36.6176.3-159.572.3156.8153.9-3.2112H473 N491H473-R487 PolarHBondContact CD2-N 2.85Å; H473-R487 WeakPolarHBondContact ND1-CD 3.44Å; H473-R487 PolarHBondContact NE2-N 3.06Å; R487-N491 PolarHBondContact O-N 2.95Å; R487-N491 PolarHBondContact O-OD1 3.05Å; R487-N491 VanDerWaalsContact O-OD1 3.07Å
488R91.4Very high88.8Confident208 Ų20883.4 Ų83.479%0.78544%0.436SS*.Hα-helixtrans-68.5-46-177.1-65.3-178.8-138.1-123.72.1112.3S486 R490 N491 R492S486-R488 VanDerWaalsContact C-N 3.26Å; S486-R488 PolarHBondContact O-N 3.47Å; R488-R490 VanDerWaalsContact C-N 3.34Å; R488-N491 PolarHBondContact O-N 2.95Å; R488-R492 PolarHBondContact O-N 3.43Å
489S89.8Confident88.5Confident32 Ų3279.7 Ų79.722%0.22442%0.421CS..Hα-helixtrans-65.3-39.8176.952.50000111.5S486 N491 R492 H493S486-S489 PolarHBondContact O-OG 2.95Å; S486-S489 VanDerWaalsContact O-OG 3.09Å; S486-S489 PolarHBondContact OG-N 3.3Å; S486-S489 VanDerWaalsContact OG-N 3.11Å; S486-S489 PolarHBondContact OG-OG 3.46Å; S489-N491 PolarHBondContact O-N 2.94Å; S489-R492 PolarHBondContact O-N 2.93Å; S489-H493 PolarHBondContact O-N 3.13Å
490R92Very high88.3Confident21 Ų2186.1 Ų86.18%0.07943%0.425CS..Hα-helixtrans-57.2-47170.4-174.2-83.9-50.1-151.511112H473 K474 T476 F484 S486 R488 R492 H493 S494H473-R490 HydrophobicContact CB-CB 3.94Å; H473-R490 HydrophobicContact CB-CG 3.87Å; K474-R490 WeakPolarHBondContact O-CG 3.47Å; T476-R490 VanDerWaalsContact CG2-NH1 3.26Å; F484-R490 HydrophobicContact CB-CB 3.92Å; F484-R490 HydrophobicContact CD2-CB 3.58Å; F484-R490 HydrophobicContact CD2-CG 3.75Å; F484-R490 HydrophobicContact CE2-CB 4.41Å; F484-R490 HydrophobicContact CE2-CG 4.36Å; F484-R490 HydrophobicContact CG-CB 3.89Å; S486-R490 PolarHBondContact O-N 2.92Å; R488-R490 VanDerWaalsContact C-N 3.34Å; R490-R492 PolarHBondContact O-N 3.34Å; R490-H493 PolarHBondContact O-N 3.31Å; R490-S494 PolarHBondContact O-N 2.97Å; R490-S494 PolarHBondContact O-OG 3.42Å
491N93.7Very high87.9Confident74 Ų7489.5 Ų89.540%0.39644%0.443SS..Hα-helixtrans-61.6-43.3178.5-71.21.2000112.1R487 R488 S489 H493 S494 A495R487-N491 PolarHBondContact O-N 2.95Å; R487-N491 PolarHBondContact O-OD1 3.05Å; R487-N491 VanDerWaalsContact O-OD1 3.07Å; R488-N491 PolarHBondContact O-N 2.95Å; S489-N491 PolarHBondContact O-N 2.94Å; N491-H493 VanDerWaalsContact C-N 3.3Å; N491-H493 PolarHBondContact O-N 3.05Å; N491-S494 PolarHBondContact O-N 3.3Å; N491-S494 PolarHBondContact O-OG 3.24Å; N491-A495 WeakPolarHBondContact O-CB 3.24Å; N491-A495 PolarHBondContact O-N 3.32Å
492R94.3Very high88Confident190 Ų19086.3 Ų86.372%0.71743%0.425SS*.Hα-helixtrans-62.5-40.1177.4-169.7-173.7-53.4154.84111.7R488 S489 R490 N496R488-R492 PolarHBondContact O-N 3.43Å; S489-R492 PolarHBondContact O-N 2.93Å; R490-R492 PolarHBondContact O-N 3.34Å; R492-N496 PolarHBondContact O-N 2.96Å
493H94.4Very high87.6Confident26 Ų2689 Ų8912%0.1244%0.439CS..Hα-helixtrans-67-49.6176.1173.185.8000111.7C475 C480 F484 S489 R490 N491 A495 N496 L501 H502C475-H493 PolarHBondContact SG-CD2 3.29Å; C480-H493 PolarHBondContact SG-NE2 3.12Å; F484-H493 HydrophobicContact CE1-CB 3.86Å; F484-H493 HydrophobicContact CE2-CB 3.94Å; F484-H493 AromaticContact CE2-CD2 3.58Å; F484-H493 AromaticContact CE2-CG 3.81Å; F484-H493 HydrophobicContact CZ-CB 3.36Å; F484-H493 AromaticContact CZ-CD2 3.43Å; F484-H493 VanDerWaalsContact CZ-CD2 3.43Å; F484-H493 WeakPolarHBondContact CZ-CD2 3.29Å; F484-H493 AromaticContact CZ-CG 3.22Å; F484-H493 AromaticContact CZ-ND1 3.66Å; F484-H493 AromaticContact CZ-NE2 3.97Å; S489-H493 PolarHBondContact O-N 3.13Å; R490-H493 PolarHBondContact O-N 3.31Å; N491-H493 VanDerWaalsContact C-N 3.3Å; N491-H493 PolarHBondContact O-N 3.05Å; H493-A495 VanDerWaalsContact C-N 3.27Å; H493-A495 PolarHBondContact O-N 3.41Å; H493-N496 VanDerWaalsContact O-CB 3.29Å; H493-N496 WeakPolarHBondContact O-CB 3.44Å; H493-N496 PolarHBondContact O-N 3.45Å; H493-N496 VanDerWaalsContact O-N 3.09Å; H493-L501 PolarHBondContact CE1-O 3.16Å; H493-H502 AromaticContact CD2-CE1 3.54Å; H493-H502 AromaticContact CD2-ND1 3.79Å; H493-H502 AromaticContact CE1-CE1 3.71Å; H493-H502 AromaticContact CE1-ND1 3.66Å; H493-H502 AromaticContact NE2-CE1 3.29Å; H493-H502 PolarHBondContact NE2-CE1 2.77Å; H493-H502 VanDerWaalsContact NE2-CE1 3.29Å; H493-H502 AromaticContact NE2-ND1 3.11Å; H493-H502 PolarHBondContact NE2-ND1 3.27Å; H493-H502 VanDerWaalsContact NE2-ND1 3.11Å; H493-H502 PolarHBondContact O-CE1 3.33Å; H493-H502 VanDerWaalsContact O-CE1 3.22Å
494S91.5Very high86.7Confident27 Ų2785.8 Ų85.819%0.18943%0.432CS..Hα-helixtrans-70.2-21.6-178.860.50000114I477 R490 N491 N496I477-S494 WeakPolarHBondContact CD1-O 3.25Å; R490-S494 PolarHBondContact O-N 2.97Å; R490-S494 PolarHBondContact O-OG 3.42Å; N491-S494 PolarHBondContact O-N 3.3Å; N491-S494 PolarHBondContact O-OG 3.24Å; S494-N496 VanDerWaalsContact C-N 3.31Å
495A91.8Very high85.3Confident79 Ų7991.6 Ų91.665%0.65346%0.46SS*.THydrogen-bonded Turntrans-85.6-4173.200000112.8N491 H493 P497N491-A495 WeakPolarHBondContact O-CB 3.24Å; N491-A495 PolarHBondContact O-N 3.32Å; H493-A495 VanDerWaalsContact C-N 3.27Å; H493-A495 PolarHBondContact O-N 3.41Å; A495-P497 WeakPolarHBondContact O-CD 3.44Å
496N87.8Confident83.7Confident63 Ų6395.5 Ų95.534%0.33747%0.472SS..  trans-75.4119.7-179.9-163.9-46.9000109.6R492 H493 S494 N498 L501R492-N496 PolarHBondContact O-N 2.96Å; H493-N496 VanDerWaalsContact O-CB 3.29Å; H493-N496 WeakPolarHBondContact O-CB 3.44Å; H493-N496 PolarHBondContact O-N 3.45Å; H493-N496 VanDerWaalsContact O-N 3.09Å; S494-N496 VanDerWaalsContact C-N 3.31Å; N496-N498 PolarHBondContact O-N 3.08Å; N496-N498 WeakPolarHBondContact OD1-CB 3.19Å; N496-N498 PolarHBondContact OD1-N 3.45Å; N496-L501 HydrophobicContact CB-CD1 3.84Å; N496-L501 WeakPolarHBondContact ND2-CD1 3.36Å
497P86.3Confident81.7Confident128 Ų12899.3 Ų99.383%0.83149%0.489SS*.  trans-71-9.4-178.728.7-34.7000113.3A495 P499A495-P497 WeakPolarHBondContact O-CD 3.44Å; P497-P499 WeakPolarHBondContact O-CD 3.5Å
498N86.2Confident79.2Confident67 Ų67102.4 Ų102.436%0.35851%0.507SS..  trans-76.2109.7-179.8-175.6-6.3000111.3N496 R500 L501N496-N498 PolarHBondContact O-N 3.08Å; N496-N498 WeakPolarHBondContact OD1-CB 3.19Å; N496-N498 PolarHBondContact OD1-N 3.45Å; N498-R500 PolarHBondContact O-N 3.08Å; N498-R500 VanDerWaalsContact O-N 3.13Å; N498-R500 WeakPolarHBondContact OD1-CB 3.42Å; N498-R500 PolarHBondContact OD1-N 2.92Å; N498-R500 VanDerWaalsContact OD1-N 3.12Å; N498-L501 HydrophobicContact CB-CD1 4.21Å; N498-L501 HydrophobicContact CB-CG 4.48Å; N498-L501 PolarHBondContact O-N 2.98Å
499P80.1Confident76.4Confident84 Ų8499.4 Ų99.455%0.54551%0.506SS..G310 helixtrans-66.1-21-175.527.8-35.3000113.3P497 L501 H502P497-P499 WeakPolarHBondContact O-CD 3.5Å; P499-L501 PolarHBondContact O-N 3Å; P499-H502 PolarHBondContact O-N 3.26Å; P499-H502 VanDerWaalsContact O-N 3.12Å
500R82.8Confident73.6Confident199 Ų199106.7 Ų106.775%0.75153%0.534SS*.G310 helixtrans-61.9-25.8179.3-66.3-174.7175.3145.20.6112.8N498 H502N498-R500 PolarHBondContact O-N 3.08Å; N498-R500 VanDerWaalsContact O-N 3.13Å; N498-R500 WeakPolarHBondContact OD1-CB 3.42Å; N498-R500 PolarHBondContact OD1-N 2.92Å; N498-R500 VanDerWaalsContact OD1-N 3.12Å; R500-H502 VanDerWaalsContact C-N 3.3Å
501L82.7Confident70.6Confident75 Ų75113 Ų11339%0.39357%0.569SS.*G310 helixtrans-75.2-21.2-179.9-65.3171.6000112.7H493 N496 N498 P499H493-L501 PolarHBondContact CE1-O 3.16Å; N496-L501 HydrophobicContact CB-CD1 3.84Å; N496-L501 WeakPolarHBondContact ND2-CD1 3.36Å; N498-L501 HydrophobicContact CB-CD1 4.21Å; N498-L501 HydrophobicContact CB-CG 4.48Å; N498-L501 PolarHBondContact O-N 2.98Å; P499-L501 PolarHBondContact O-N 3Å
502H86.3Confident67.6Low15 Ų15116.7 Ų116.77%0.06959%0.589CS.*THydrogen-bonded Turntrans-94-9.4-178.2-61.6-54.2000113.8I477 C480 H493 P499 R500I477-H502 WeakPolarHBondContact CD1-CE1 3.26Å; I477-H502 WeakPolarHBondContact CD1-NE2 3.29Å; I477-H502 HydrophobicContact CG2-CB 4.22Å; C480-H502 HydrophobicContact CB-CB 4Å; H493-H502 AromaticContact CD2-CE1 3.54Å; H493-H502 AromaticContact CD2-ND1 3.79Å; H493-H502 AromaticContact CE1-CE1 3.71Å; H493-H502 AromaticContact CE1-ND1 3.66Å; H493-H502 AromaticContact NE2-CE1 3.29Å; H493-H502 PolarHBondContact NE2-CE1 2.77Å; H493-H502 VanDerWaalsContact NE2-CE1 3.29Å; H493-H502 AromaticContact NE2-ND1 3.11Å; H493-H502 PolarHBondContact NE2-ND1 3.27Å; H493-H502 VanDerWaalsContact NE2-ND1 3.11Å; H493-H502 PolarHBondContact O-CE1 3.33Å; H493-H502 VanDerWaalsContact O-CE1 3.22Å; P499-H502 PolarHBondContact O-N 3.26Å; P499-H502 VanDerWaalsContact O-N 3.12Å; R500-H502 VanDerWaalsContact C-N 3.3Å
503M80.2Confident64.5Low130 Ų130115.8 Ų115.864%0.6459%0.593SS**SBendtrans-81.8127.8176.1-62.7-61.2165.900109.9H505M503-H505 PolarHBondContact O-N 3.01Å
504L66.7Low61.6Low84 Ų84122.1 Ų122.144%0.4463%0.627SS.*  trans-66.7116.4164.6-67168.9000107.5N481 M482 I506N481-L504 HydrophobicContact CB-CD1 4.01Å; N481-L504 HydrophobicContact CB-CD2 4.17Å; N481-L504 HydrophobicContact CB-CG 4.45Å; M482-L504 HydrophobicContact CE-CD2 3.46Å; M482-L504 VanDerWaalsContact CE-CD2 3.46Å; L504-I506 VanDerWaalsContact C-N 3.27Å; L504-I506 PolarHBondContact O-N 3.4Å
505H59.2Low58.8Low163 Ų163130.2 Ų130.276%0.75566%0.662SS**  trans-61.1102156.7-72.9-73.6000106.1M503 N507M503-H505 PolarHBondContact O-N 3.01Å; H505-N507 PolarHBondContact O-N 3.37Å
506I48.6Very low55.9Low159 Ų159132.7 Ų132.782%0.81566%0.664SS**  trans-52.7105.3155.2-67.8169.9000103.4L504 K508L504-I506 VanDerWaalsContact C-N 3.27Å; L504-I506 PolarHBondContact O-N 3.4Å; I506-K508 PolarHBondContact O-N 3.23Å
507N41.9Very low53.3Low124 Ų124137.9 Ų137.966%0.66369%0.692SS**  trans-49.6121.4176.2-86.1-20.1000106.7H505 N509H505-N507 PolarHBondContact O-N 3.37Å; N507-N509 HydrophobicContact CB-CB 4.4Å; N507-N509 PolarHBondContact O-N 3.18Å
508K36.2Very low50.6Low202 Ų202137.6 Ų137.688%0.87869%0.688SS**  trans-63.265.5158.2-74.2179.8173.4176.90108I506I506-K508 PolarHBondContact O-N 3.23Å
509N32Very low48.2Very low145 Ų145140.3 Ų140.378%0.77571%0.707SS**  trans-111.532.1160.9-84.811.7000109.1N507N507-N509 HydrophobicContact CB-CB 4.4Å; N507-N509 PolarHBondContact O-N 3.18Å
510K31.7Very low45.9Very low186 Ų186147.6 Ų147.681%0.80974%0.741SS**SBendtrans-113.696.3147.5-79.5-174.1176.1-179.70105
511N29.4Very low44Very low153 Ų153145 Ų14582%0.81874%0.74SS**  trans162.753.9149.6-76.3-2.6000108.5
512N28.7Very low42Very low151 Ų151148.7 Ų148.781%0.80776%0.758SS**SBendtrans-99.6110.5143.2-85.64.4000105.4
513E30.5Very low39.5Very low171 Ų171156.1 Ų156.180%0.79980%0.797SS**  trans61.5103.5145.9-57.5179.6169.800117.5
514N34Very low37.1Very low159 Ų159157.6 Ų157.685%0.8581%0.806SS**  -165.562.5124.2-89-18.6000109.6N516N514-N516 PolarHBondContact O-N 3.31Å
515H32.4Very low35.3Very low197 Ų197162.3 Ų162.391%0.91283%0.829SS**  trans-84.282.1147.7-96.2-64.7000106.7
516N29.3Very low33.7Very low132 Ų132162.2 Ų162.271%0.70683%0.834SS**  trans-154.378.9159.6-92.6-22.3000106.7N514N514-N516 PolarHBondContact O-N 3.31Å
517N34.4Very low32.6Very low172 Ų172162.4 Ų162.492%0.9284%0.835SS**  trans-14197.6142.6-93.7-17.2000106.3
518V29.8Very low31.9Very low122 Ų122165.4 Ų165.474%0.73985%0.848SS**  trans-77157.8163.6176.50000107.6
519V34.8Very low31.5Very low124 Ų124162.3 Ų162.375%0.75285%0.846SS**  trans101.3101.8165-164.50000114.9
520N31.5Very low31.5Very low236 Ų236163.9 Ų163.9100%1.26285%0.852SS**  trans27.30144.6-66.8-7.6000119.2

Retrieved 520 of 520 residues in 208.7 ms (Link to these results)

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