A0A096NLE5_PAPAN Loading...

Secretagogin

AlphaFold DB (G7MQV2), UniProt , Accession A0A096NLE5, Species PAPAN (Papio anubis, Olive baboon), Gene SCGN, Length 276 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
1M30.3Very low34.1Very low247 Ų247151.5 Ų151.5100%1.21782%0.821SS**  081.20-79.7174.4164.900106.1S3M1-S3 PolarHBondContact O-N 3.36Å
2D28.3Very low36.6Very low169 Ų169140.6 Ų140.690%0.90476%0.762SS**  trans-75114175.3-93.1-44000108A4D2-A4 PolarHBondContact O-N 3.02Å; D2-A4 VanDerWaalsContact O-N 3.13Å
3S31.3Very low39Very low117 Ų117135.7 Ų135.782%0.81874%0.735SS**  trans-73.6102170.9-1430000106.9M1 R5M1-S3 PolarHBondContact O-N 3.36Å; S3-R5 PolarHBondContact O-N 2.84Å; S3-R5 VanDerWaalsContact O-N 3.09Å
4A31.2Very low41.2Very low89 Ų89126 Ų12674%0.73668%0.682SS**  trans-53.2113171.500000108.7D2 E6D2-A4 PolarHBondContact O-N 3.02Å; D2-A4 VanDerWaalsContact O-N 3.13Å; A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.5Å
5R29.1Very low42.9Very low244 Ų244120.1 Ų120.192%0.92166%0.657SS**  trans-63.7101.9162.5-77.9178.5174.9170.1-2.2106.4S3S3-R5 PolarHBondContact O-N 2.84Å; S3-R5 VanDerWaalsContact O-N 3.09Å
6E25.3Very low44.6Very low173 Ų173114.2 Ų114.281%0.80863%0.627SS**  trans-51.4129.3162.7-68.8-176.6159.400107.8A4 T8A4-E6 VanDerWaalsContact C-N 3.34Å; A4-E6 PolarHBondContact O-N 3.5Å; E6-T8 PolarHBondContact O-N 3.42Å
7P27.9Very low46.6Very low119 Ų119107.5 Ų107.577%0.77359%0.59SS**  trans-65.5106.2170.225.9-28.6000106.3P9P7-P9 WeakPolarHBondContact O-CD 3.47Å; P7-P9 VanDerWaalsContact O-N 3.09Å
8T31.1Very low48.2Very low124 Ų124105.3 Ų105.376%0.76157%0.572SS**PPolyproline II helixtrans-48.8120.2165.938.70000107.1E6 G10E6-T8 PolarHBondContact O-N 3.42Å; T8-G10 PolarHBondContact O-N 3.43Å; T8-G10 VanDerWaalsContact O-N 3.1Å
9P38.4Very low49.6Very low120 Ų120103 Ų10378%0.77956%0.557SS**PPolyproline II helixtrans-54.3125.4178.319.5-28.7000107.1P7 R11P7-P9 WeakPolarHBondContact O-CD 3.47Å; P7-P9 VanDerWaalsContact O-N 3.09Å; P9-R11 PolarHBondContact O-N 2.82Å
10G46.7Very low51.2Low49 Ų4998.1 Ų98.151%0.50553%0.53SS..PPolyproline II helixtrans-47.6119.3-177.200000108.6T8 L12 L48T8-G10 PolarHBondContact O-N 3.43Å; T8-G10 VanDerWaalsContact O-N 3.1Å; G10-L12 PolarHBondContact O-N 3.24Å; G10-L48 WeakPolarHBondContact O-CD2 3.49Å
11R55.3Low52.6Low216 Ų21693.5 Ų93.582%0.81551%0.505SS*.PPolyproline II helixtrans-66.5127.3173.2-110.6179.7170.2-170.4-4.6106.5P9 D13P9-R11 PolarHBondContact O-N 2.82Å; R11-D13 PolarHBondContact O-N 3Å
12L65Low54.9Low20 Ų2086.4 Ų86.411%0.10547%0.469CS..PPolyproline II helixtrans-62.3124.8170.3-79.2153.2000108.2G10 C16 M44 L48 F87 L88G10-L12 PolarHBondContact O-N 3.24Å; L12-C16 HydrophobicContact CD2-CB 4.38Å; L12-M44 HydrophobicContact CD1-CE 3.4Å; L12-M44 HydrophobicContact CD2-CE 3.4Å; L12-M44 VanDerWaalsContact CD2-CE 3.4Å; L12-M44 HydrophobicContact CD2-SD 4.26Å; L12-M44 HydrophobicContact CG-CE 3.91Å; L12-L48 HydrophobicContact CD1-CD1 3.69Å; L12-L48 HydrophobicContact CD1-CG 4.47Å; L12-L48 HydrophobicContact CD2-CD1 4.18Å; L12-L48 HydrophobicContact CD2-CD2 4.37Å; L12-L48 HydrophobicContact CD2-CG 4.1Å; L12-L48 HydrophobicContact CG-CD1 3.87Å; L12-L48 HydrophobicContact CG-CD2 4.06Å; L12-L48 HydrophobicContact CG-CG 4.11Å; L12-F87 HydrophobicContact CD1-CB 4.16Å; L12-F87 HydrophobicContact CD1-CD1 3.64Å; L12-F87 HydrophobicContact CD1-CE1 4.49Å; L12-F87 HydrophobicContact CD1-CG 4.2Å; L12-L88 HydrophobicContact CB-CD2 4.12Å; L12-L88 WeakPolarHBondContact O-CD2 3.19Å
13D66.9Low57.4Low77 Ų7786.4 Ų86.441%0.41246%0.457SS..PPolyproline II helixtrans-89.7160.6168.661.833.4000110R11 A15 C16 F17R11-D13 PolarHBondContact O-N 3Å; D13-A15 PolarHBondContact O-N 2.9Å; D13-A15 PolarHBondContact OD1-N 3.32Å; D13-C16 PolarHBondContact O-N 2.76Å; D13-C16 WeakPolarHBondContact OD1-CB 3.22Å; D13-C16 PolarHBondContact OD1-N 3.43Å; D13-F17 PolarHBondContact O-N 3.42Å
14A69.8Low59.8Low0 Ų082.9 Ų82.90%043%0.427CS..Hα-helixtrans-63.5-21.7179.700000112.8W18 L88 E92 L95 L96 R99A14-W18 VanDerWaalsContact O-CB 3.26Å; A14-W18 WeakPolarHBondContact O-CB 3.03Å; A14-W18 PolarHBondContact O-N 3.23Å; A14-L88 HydrophobicContact CB-CD1 4.14Å; A14-E92 HydrophobicContact CB-CB 4.36Å; A14-E92 WeakPolarHBondContact CB-O 3.32Å; A14-E92 VanDerWaalsContact CB-OE2 3.24Å; A14-E92 WeakPolarHBondContact CB-OE2 3.31Å; A14-E92 PolarHBondContact N-OE2 3.27Å; A14-L95 HydrophobicContact CB-CB 4.31Å; A14-L96 HydrophobicContact CB-CB 4.01Å; A14-L96 HydrophobicContact CB-CD1 4.33Å; A14-R99 VanDerWaalsContact C-NH1 3.34Å
15A67.4Low62.2Low37 Ų3779.2 Ų79.231%0.30640%0.395SS..Hα-helixtrans-73-46.9177.400000110.8D13 W18 Q19 R99D13-A15 PolarHBondContact O-N 2.9Å; D13-A15 PolarHBondContact OD1-N 3.32Å; A15-W18 PolarHBondContact O-N 3.39Å; A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.22Å; A15-R99 VanDerWaalsContact N-NH1 3.12Å
16C70.1Confident64.2Low26 Ų2671.4 Ų71.418%0.17638%0.382CS..Hα-helixtrans-62.3-43.4175.5-167.10000111L12 D13 W18 Q19 V20L12-C16 HydrophobicContact CD2-CB 4.38Å; D13-C16 PolarHBondContact O-N 2.76Å; D13-C16 WeakPolarHBondContact OD1-CB 3.22Å; D13-C16 PolarHBondContact OD1-N 3.43Å; C16-W18 PolarHBondContact O-N 2.71Å; C16-Q19 PolarHBondContact O-N 3.21Å; C16-V20 WeakPolarHBondContact O-CG2 3.07Å; C16-V20 PolarHBondContact O-N 2.89Å; C16-V20 VanDerWaalsContact O-N 3.17Å
17F78.6Confident66.5Low0 Ų068.7 Ų68.70%037%0.373CS..Hα-helixtrans-59.3-46.7173.4-176.8-80.8000111.5D13 Q19 V20 W21 F40 M44 M80 L83 A84 F87 L88 L96D13-F17 PolarHBondContact O-N 3.42Å; F17-Q19 PolarHBondContact O-N 2.87Å; F17-V20 PolarHBondContact O-N 3.38Å; F17-W21 HydrophobicContact CD1-CB 4.43Å; F17-W21 HydrophobicContact CE1-CB 4.25Å; F17-W21 HydrophobicContact CE1-CD2 4.4Å; F17-W21 HydrophobicContact CE1-CE3 4.03Å; F17-W21 HydrophobicContact CE1-CG 4.5Å; F17-W21 HydrophobicContact CZ-CE3 4.07Å; F17-W21 WeakPolarHBondContact O-CB 3.49Å; F17-W21 PolarHBondContact O-N 3.16Å; F17-F40 HydrophobicContact CD2-CZ 4.11Å; F17-F40 HydrophobicContact CE2-CE1 4.08Å; F17-F40 AromaticContact CE2-CZ 3.62Å; F17-F40 HydrophobicContact CE2-CZ 3.62Å; F17-F40 AromaticContact CZ-CZ 3.88Å; F17-F40 HydrophobicContact CZ-CZ 3.88Å; F17-M44 HydrophobicContact CB-CE 4.32Å; F17-M44 HydrophobicContact CD2-CE 3.63Å; F17-M44 HydrophobicContact CD2-SD 4.4Å; F17-M44 HydrophobicContact CE2-CE 4.42Å; F17-M44 HydrophobicContact CG-CE 4.38Å; F17-M80 HydrophobicContact CE1-CG 3.88Å; F17-M80 HydrophobicContact CZ-CG 4.47Å; F17-L83 HydrophobicContact CE2-CB 4.2Å; F17-L83 HydrophobicContact CZ-CB 3.89Å; F17-A84 HydrophobicContact CE1-CB 4.32Å; F17-A84 HydrophobicContact CZ-CB 4.13Å; F17-F87 HydrophobicContact CD2-CB 4.19Å; F17-F87 HydrophobicContact CE2-CB 4.32Å; F17-F87 HydrophobicContact CE2-CD2 4.14Å; F17-L88 HydrophobicContact CB-CD1 4.02Å; F17-L88 HydrophobicContact CB-CD2 4.09Å; F17-L88 HydrophobicContact CB-CG 4.38Å; F17-L88 HydrophobicContact CD1-CD1 4.32Å; F17-L88 HydrophobicContact CD2-CD1 4.26Å; F17-L88 HydrophobicContact CD2-CG 4.23Å; F17-L88 HydrophobicContact CG-CD1 3.94Å; F17-L88 HydrophobicContact CG-CG 4.34Å; F17-L96 HydrophobicContact CD1-CD1 3.86Å; F17-L96 HydrophobicContact CD1-CD2 3.54Å; F17-L96 HydrophobicContact CD1-CG 4.37Å; F17-L96 HydrophobicContact CE1-CD2 3.55Å; F17-L96 HydrophobicContact CG-CD2 4.5Å; F17-L96 HydrophobicContact CZ-CD2 4.5Å
18W75.1Confident68.6Low68 Ų6870.4 Ų70.426%0.25837%0.371SS..Hα-helixtrans-63.6-40.8179.8-174.5-109.4000112.8A14 A15 C16 V20 W21 Q22 M80 L96 R100A14-W18 VanDerWaalsContact O-CB 3.26Å; A14-W18 WeakPolarHBondContact O-CB 3.03Å; A14-W18 PolarHBondContact O-N 3.23Å; A15-W18 PolarHBondContact O-N 3.39Å; C16-W18 PolarHBondContact O-N 2.71Å; W18-V20 VanDerWaalsContact C-N 3.29Å; W18-V20 PolarHBondContact O-N 2.99Å; W18-W21 HydrophobicContact CE3-CB 4.47Å; W18-W21 HydrophobicContact CE3-CG 4.49Å; W18-W21 AromaticContact CZ3-CD1 3.79Å; W18-W21 PolarHBondContact O-N 3.33Å; W18-Q22 HydrophobicContact CD2-CG 4.5Å; W18-Q22 HydrophobicContact CZ2-CG 4.15Å; W18-Q22 PolarHBondContact O-N 3.22Å; W18-M80 HydrophobicContact CE3-SD 3.95Å; W18-M80 HydrophobicContact CZ3-CE 4.49Å; W18-M80 HydrophobicContact CZ3-SD 3.51Å; W18-M80 VanDerWaalsContact CZ3-SD 3.51Å; W18-L96 HydrophobicContact CB-CD1 3.9Å; W18-L96 HydrophobicContact CD2-CD1 4.46Å; W18-L96 HydrophobicContact CE3-CD1 3.91Å; W18-R100 HydrophobicContact CH2-CB 4.28Å; W18-R100 HydrophobicContact CH2-CG 3.68Å; W18-R100 HydrophobicContact CZ2-CG 4.45Å; W18-R100 HydrophobicContact CZ3-CB 4.4Å; W18-R100 HydrophobicContact CZ3-CG 4.09Å
19Q74.9Confident70.7Confident62 Ų6269.8 Ų69.829%0.2936%0.358SS..Hα-helixtrans-59.5-39.9175.2-74.6-175.25.500112.4A15 C16 F17 E182A15-Q19 WeakPolarHBondContact O-CG 3.47Å; A15-Q19 PolarHBondContact O-N 3.22Å; C16-Q19 PolarHBondContact O-N 3.21Å; F17-Q19 PolarHBondContact O-N 2.87Å; Q19-E182 PolarHBondContact NE2-OE1 2.81Å
20V80.4Confident72.4Confident4 Ų465 Ų652%0.02433%0.331CS..Hα-helixtrans-72.9-43.3176-179.10000109.7C16 F17 W18 Q22 R23 F24 F40 H43 M44 K47C16-V20 WeakPolarHBondContact O-CG2 3.07Å; C16-V20 PolarHBondContact O-N 2.89Å; C16-V20 VanDerWaalsContact O-N 3.17Å; F17-V20 PolarHBondContact O-N 3.38Å; W18-V20 VanDerWaalsContact C-N 3.29Å; W18-V20 PolarHBondContact O-N 2.99Å; V20-Q22 PolarHBondContact O-N 3.05Å; V20-R23 WeakPolarHBondContact O-CB 3.38Å; V20-R23 PolarHBondContact O-N 2.79Å; V20-R23 VanDerWaalsContact O-N 3.13Å; V20-F24 HydrophobicContact CG1-CD2 4.23Å; V20-F24 HydrophobicContact CG1-CE2 3.89Å; V20-F24 VanDerWaalsContact O-CD2 3.27Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; V20-F40 HydrophobicContact CB-CE2 4.25Å; V20-F40 HydrophobicContact CG1-CD2 3.82Å; V20-F40 HydrophobicContact CG1-CE2 3.68Å; V20-F40 HydrophobicContact CG1-CZ 4.33Å; V20-H43 HydrophobicContact CG1-CB 3.82Å; V20-M44 HydrophobicContact CB-CG 4.44Å; V20-M44 HydrophobicContact CB-SD 3.66Å; V20-M44 HydrophobicContact CG1-CG 3.99Å; V20-M44 HydrophobicContact CG1-SD 3.88Å; V20-M44 HydrophobicContact CG2-SD 3.69Å; V20-K47 HydrophobicContact CG2-CG 4.28Å
21W81.3Confident74Confident2 Ų266.7 Ų66.71%0.00832%0.322CS..Hα-helixtrans-55.8-49.3178.4-173.6-93.5000112.8F17 W18 R23 F24 D25 I32 F40 M80 L83F17-W21 HydrophobicContact CD1-CB 4.43Å; F17-W21 HydrophobicContact CE1-CB 4.25Å; F17-W21 HydrophobicContact CE1-CD2 4.4Å; F17-W21 HydrophobicContact CE1-CE3 4.03Å; F17-W21 HydrophobicContact CE1-CG 4.5Å; F17-W21 HydrophobicContact CZ-CE3 4.07Å; F17-W21 WeakPolarHBondContact O-CB 3.49Å; F17-W21 PolarHBondContact O-N 3.16Å; W18-W21 HydrophobicContact CE3-CB 4.47Å; W18-W21 HydrophobicContact CE3-CG 4.49Å; W18-W21 AromaticContact CZ3-CD1 3.79Å; W18-W21 PolarHBondContact O-N 3.33Å; W21-R23 PolarHBondContact O-N 3.09Å; W21-R23 VanDerWaalsContact O-N 3.07Å; W21-F24 PolarHBondContact O-N 3.29Å; W21-D25 HydrophobicContact CZ2-CB 4.2Å; W21-D25 VanDerWaalsContact NE1-CB 3.3Å; W21-D25 PolarHBondContact NE1-OD2 3.25Å; W21-D25 PolarHBondContact O-N 3.16Å; W21-I32 HydrophobicContact CE3-CG2 4.29Å; W21-I32 HydrophobicContact CH2-CB 4.25Å; W21-I32 HydrophobicContact CH2-CG1 4.08Å; W21-I32 HydrophobicContact CH2-CG2 3.63Å; W21-I32 HydrophobicContact CZ2-CG2 4Å; W21-I32 HydrophobicContact CZ3-CB 4.49Å; W21-I32 HydrophobicContact CZ3-CD1 4.21Å; W21-I32 HydrophobicContact CZ3-CG1 4.08Å; W21-I32 HydrophobicContact CZ3-CG2 3.78Å; W21-F40 AromaticContact CE3-CE2 3.93Å; W21-F40 HydrophobicContact CE3-CE2 3.93Å; W21-F40 HydrophobicContact CE3-CZ 4.34Å; W21-M80 HydrophobicContact CD2-CB 4.18Å; W21-M80 HydrophobicContact CD2-CG 3.69Å; W21-M80 HydrophobicContact CD2-SD 4.3Å; W21-M80 HydrophobicContact CE3-CB 4.37Å; W21-M80 HydrophobicContact CE3-CG 3.97Å; W21-M80 HydrophobicContact CG-CG 4.23Å; W21-M80 HydrophobicContact CG-SD 4.28Å; W21-M80 HydrophobicContact CH2-CB 3.66Å; W21-M80 HydrophobicContact CH2-CG 4.18Å; W21-M80 HydrophobicContact CZ2-CB 3.44Å; W21-M80 VanDerWaalsContact CZ2-CB 3.44Å; W21-M80 HydrophobicContact CZ2-CG 3.93Å; W21-M80 HydrophobicContact CZ3-CB 4.13Å; W21-M80 HydrophobicContact CZ3-CG 4.2Å; W21-L83 HydrophobicContact CH2-CD1 4.43Å; W21-L83 HydrophobicContact CZ3-CB 4.49Å; W21-L83 HydrophobicContact CZ3-CD1 3.68Å
22Q79.3Confident75.3Confident98 Ų9856.4 Ų56.446%0.45828%0.283SS..Hα-helixtrans-57.6-25179.1-88.6-172.6-27.600113.8W18 V20 F24 A26W18-Q22 HydrophobicContact CD2-CG 4.5Å; W18-Q22 HydrophobicContact CZ2-CG 4.15Å; W18-Q22 PolarHBondContact O-N 3.22Å; V20-Q22 PolarHBondContact O-N 3.05Å; Q22-F24 VanDerWaalsContact C-N 3.34Å; Q22-A26 PolarHBondContact O-N 2.87Å
23R81.4Confident76.2Confident170 Ų17058.9 Ų58.964%0.64229%0.294SS*.Hα-helixtrans-72.6-29.2176.1-69.9-176.2171.1-172.2-2113.2V20 W21V20-R23 WeakPolarHBondContact O-CB 3.38Å; V20-R23 PolarHBondContact O-N 2.79Å; V20-R23 VanDerWaalsContact O-N 3.13Å; W21-R23 PolarHBondContact O-N 3.09Å; W21-R23 VanDerWaalsContact O-N 3.07Å
24F79.9Confident76.6Confident43 Ų4358.8 Ų58.819%0.18929%0.291CS..Hα-helixtrans-98.2-29.5-178.8-66.8-83.7000111.9V20 W21 Q22 I32 E36 A39 F40 H43V20-F24 HydrophobicContact CG1-CD2 4.23Å; V20-F24 HydrophobicContact CG1-CE2 3.89Å; V20-F24 VanDerWaalsContact O-CD2 3.27Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; W21-F24 PolarHBondContact O-N 3.29Å; Q22-F24 VanDerWaalsContact C-N 3.34Å; F24-I32 HydrophobicContact CB-CG2 3.72Å; F24-E36 HydrophobicContact CD1-CB 4.21Å; F24-A39 HydrophobicContact CE1-CB 3.7Å; F24-A39 HydrophobicContact CZ-CB 4.01Å; F24-A39 WeakPolarHBondContact CZ-O 3.38Å; F24-F40 HydrophobicContact CD2-CB 4.33Å; F24-F40 AromaticContact CD2-CD2 3.67Å; F24-F40 HydrophobicContact CD2-CD2 3.67Å; F24-F40 HydrophobicContact CD2-CG 4.49Å; F24-F40 HydrophobicContact CE2-CB 4.19Å; F24-F40 HydrophobicContact CE2-CD2 4.04Å; F24-F40 HydrophobicContact CG-CD2 4.33Å; F24-F40 HydrophobicContact CZ-CB 4.36Å; F24-H43 HydrophobicContact CE2-CB 4.27Å; F24-H43 AromaticContact CZ-ND1 3.68Å
25D81.6Confident77.1Confident11 Ų1165.6 Ų65.66%0.05932%0.321CS..  trans-112.752.8178.4-17026000111.4W21 D27 E28 K29 G30W21-D25 HydrophobicContact CZ2-CB 4.2Å; W21-D25 VanDerWaalsContact NE1-CB 3.3Å; W21-D25 PolarHBondContact NE1-OD2 3.25Å; W21-D25 PolarHBondContact O-N 3.16Å; D25-D27 PolarHBondContact O-N 2.99Å; D25-E28 PolarHBondContact O-N 3.4Å; D25-E28 VanDerWaalsContact O-N 3.11Å; D25-E28 PolarHBondContact OD1-N 2.93Å; D25-K29 WeakPolarHBondContact OD1-CA 3.47Å; D25-K29 WeakPolarHBondContact OD1-CB 3.41Å; D25-K29 PolarHBondContact OD1-N 3.13Å; D25-G30 PolarHBondContact OD1-N 3.25Å; D25-G30 VanDerWaalsContact OD2-CA 3.26Å; D25-G30 WeakPolarHBondContact OD2-CA 3.4Å; D25-G30 PolarHBondContact OD2-N 3.47Å
26A71.3Confident77.7Confident80 Ų8066.6 Ų66.666%0.66132%0.32SS*.THydrogen-bonded Turntrans-63.9-20.9-179.500000113.3Q22Q22-A26 PolarHBondContact O-N 2.87Å
27D73.6Confident78.1Confident116 Ų11665.4 Ų65.462%0.6231%0.311SS*.THydrogen-bonded Turntrans-91.23.8178.7-61.8-37.8000112.8D25 K29D25-D27 PolarHBondContact O-N 2.99Å; D27-K29 HydrophobicContact CB-CD 4.18Å; D27-K29 HydrophobicContact CB-CG 3.95Å; D27-K29 PolarHBondContact O-N 3.15Å; D27-K29 WeakPolarHBondContact OD2-CE 3.36Å; D27-K29 IonicContact OD2-NZ 2.8Å; D27-K29 PolarHBondContact OD2-NZ 2.92Å
28E71.9Confident78.1Confident155 Ų15568.5 Ų68.572%0.72433%0.328SS*.  trans52.435.4-177.4-58.5-173.1164.600114.3D25 G30D25-E28 PolarHBondContact O-N 3.4Å; D25-E28 VanDerWaalsContact O-N 3.11Å; D25-E28 PolarHBondContact OD1-N 2.93Å; E28-G30 PolarHBondContact O-N 3.04Å
29K75.8Confident78.4Confident112 Ų11267.3 Ų67.349%0.48733%0.332SS..  trans-65.5-25177.2-66168.2-173.7148.20111.5D25 D27 Y31D25-K29 WeakPolarHBondContact OD1-CA 3.47Å; D25-K29 WeakPolarHBondContact OD1-CB 3.41Å; D25-K29 PolarHBondContact OD1-N 3.13Å; D27-K29 HydrophobicContact CB-CD 4.18Å; D27-K29 HydrophobicContact CB-CG 3.95Å; D27-K29 PolarHBondContact O-N 3.15Å; D27-K29 WeakPolarHBondContact OD2-CE 3.36Å; D27-K29 IonicContact OD2-NZ 2.8Å; D27-K29 PolarHBondContact OD2-NZ 2.92Å; K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 HydrophobicContact CB-CD1 3.93Å; K29-Y31 HydrophobicContact CB-CE1 3.7Å; K29-Y31 HydrophobicContact CG-CE1 4.49Å; K29-Y31 WeakPolarHBondContact O-CD1 3.33Å
30G74.4Confident78.8Confident20 Ų2064.3 Ų64.321%0.20632%0.319CS..SBendtrans827.6-178.700000114.1D25 E28 M80D25-G30 PolarHBondContact OD1-N 3.25Å; D25-G30 VanDerWaalsContact OD2-CA 3.26Å; D25-G30 WeakPolarHBondContact OD2-CA 3.4Å; D25-G30 PolarHBondContact OD2-N 3.47Å; E28-G30 PolarHBondContact O-N 3.04Å; G30-M80 PolarHBondContact O-N 3.02Å
31Y80.4Confident78.7Confident84 Ų8464.2 Ų64.233%0.32932%0.318SS..EExtended strand (participates in β ladder)trans-144.8151.3175.664.7-94000111K29 H77 I78K29-Y31 VanDerWaalsContact C-N 3.31Å; K29-Y31 HydrophobicContact CB-CD1 3.93Å; K29-Y31 HydrophobicContact CB-CE1 3.7Å; K29-Y31 HydrophobicContact CG-CE1 4.49Å; K29-Y31 WeakPolarHBondContact O-CD1 3.33Å; Y31-H77 HydrophobicContact CD2-CB 3.7Å; Y31-H77 AromaticContact CD2-CD2 3.42Å; Y31-H77 VanDerWaalsContact CD2-CD2 3.42Å; Y31-H77 WeakPolarHBondContact CD2-CD2 3.32Å; Y31-H77 AromaticContact CD2-CG 3.56Å; Y31-H77 HydrophobicContact CE2-CB 4.31Å; Y31-H77 AromaticContact CE2-CD2 3.22Å; Y31-H77 WeakPolarHBondContact CE2-CD2 3.41Å; Y31-H77 AromaticContact CE2-CE1 3.99Å; Y31-H77 AromaticContact CE2-CG 3.65Å; Y31-H77 AromaticContact CE2-NE2 3.47Å; Y31-H77 WeakPolarHBondContact CE2-NE2 3.23Å; Y31-H77 HydrophobicContact CG-CB 4.08Å; Y31-I78 CarbonylContact C-O 3.46Å; Y31-I78 VanDerWaalsContact CA-O 3.24Å; Y31-I78 WeakPolarHBondContact CA-O 3.39Å; Y31-I78 WeakPolarHBondContact CB-O 3.47Å
32I83Confident78.5Confident0 Ų066.7 Ų66.70%033%0.331CS..EExtended strand (participates in β ladder)trans-108.3153.6168.963.5171.7000110.1W21 F24 L37 F40 I78 L83W21-I32 HydrophobicContact CE3-CG2 4.29Å; W21-I32 HydrophobicContact CH2-CB 4.25Å; W21-I32 HydrophobicContact CH2-CG1 4.08Å; W21-I32 HydrophobicContact CH2-CG2 3.63Å; W21-I32 HydrophobicContact CZ2-CG2 4Å; W21-I32 HydrophobicContact CZ3-CB 4.49Å; W21-I32 HydrophobicContact CZ3-CD1 4.21Å; W21-I32 HydrophobicContact CZ3-CG1 4.08Å; W21-I32 HydrophobicContact CZ3-CG2 3.78Å; F24-I32 HydrophobicContact CB-CG2 3.72Å; I32-L37 HydrophobicContact CD1-CD1 4.33Å; I32-F40 HydrophobicContact CD1-CB 4.05Å; I32-F40 HydrophobicContact CD1-CD2 4.3Å; I32-F40 HydrophobicContact CD1-CG 4.11Å; I32-I78 HydrophobicContact CG1-CB 4.07Å; I32-I78 PolarHBondContact N-O 2.89Å; I32-I78 PolarHBondContact O-N 3.45Å; I32-L83 HydrophobicContact CD1-CD1 3.43Å; I32-L83 VanDerWaalsContact CD1-CD1 3.43Å; I32-L83 HydrophobicContact CG1-CD1 3.82Å
33E82.4Confident78.4Confident71 Ų7165 Ų6533%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-76.7147.9174.3-66.3-171.8-140.200110.9K35 E36 L37E33-K35 HydrophobicContact CB-CD 4.34Å; E33-K35 HydrophobicContact CB-CG 3.96Å; E33-K35 PolarHBondContact O-N 3.35Å; E33-K35 VanDerWaalsContact O-N 3.12Å; E33-K35 IonicContact OE1-NZ 2.73Å; E33-K35 PolarHBondContact OE1-NZ 2.86Å; E33-K35 VanDerWaalsContact OE1-NZ 3.11Å; E33-K35 VanDerWaalsContact OE2-CD 3.29Å; E33-K35 WeakPolarHBondContact OE2-CD 3.33Å; E33-K35 WeakPolarHBondContact OE2-CE 3.21Å; E33-K35 IonicContact OE2-NZ 2.64Å; E33-K35 PolarHBondContact OE2-NZ 3.46Å; E33-E36 HydrophobicContact CB-CG 4.32Å; E33-E36 PolarHBondContact N-OE2 3.2Å; E33-E36 VanDerWaalsContact N-OE2 3.1Å; E33-E36 WeakPolarHBondContact O-CA 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.37Å; E33-E36 PolarHBondContact O-N 3.5Å; E33-L37 PolarHBondContact O-N 2.87Å
34E76.9Confident78.1Confident75 Ų7556.9 Ų56.935%0.3529%0.292SS..G310 helixtrans-59.2-28180-173.9170.5156.100113.2E36 L37 M67 R70 G76 I78E34-E36 PolarHBondContact O-N 2.68Å; E34-L37 VanDerWaalsContact O-CB 3.23Å; E34-L37 WeakPolarHBondContact O-CB 3.3Å; E34-L37 PolarHBondContact O-N 2.63Å; E34-M67 HydrophobicContact CG-CE 3.97Å; E34-M67 WeakPolarHBondContact OE1-CE 3.31Å; E34-R70 IonicContact OE2-NH1 3.6Å; E34-R70 PolarHBondContact OE2-NH1 3.44Å; E34-G76 WeakPolarHBondContact CB-O 3.09Å; E34-G76 PolarHBondContact N-O 2.81Å; E34-I78 HydrophobicContact CB-CD1 4.26Å; E34-I78 HydrophobicContact CG-CD1 4.37Å
35K79.4Confident77.7Confident143 Ų14355.8 Ų55.862%0.62229%0.288SS*.G310 helixtrans-65.4-24.717474.2-168.1-173.7-157.90113E33E33-K35 HydrophobicContact CB-CD 4.34Å; E33-K35 HydrophobicContact CB-CG 3.96Å; E33-K35 PolarHBondContact O-N 3.35Å; E33-K35 VanDerWaalsContact O-N 3.12Å; E33-K35 IonicContact OE1-NZ 2.73Å; E33-K35 PolarHBondContact OE1-NZ 2.86Å; E33-K35 VanDerWaalsContact OE1-NZ 3.11Å; E33-K35 VanDerWaalsContact OE2-CD 3.29Å; E33-K35 WeakPolarHBondContact OE2-CD 3.33Å; E33-K35 WeakPolarHBondContact OE2-CE 3.21Å; E33-K35 IonicContact OE2-NZ 2.64Å; E33-K35 PolarHBondContact OE2-NZ 3.46Å
36E80.1Confident77.3Confident59 Ų5960.2 Ų60.228%0.27631%0.31SS..G310 helixtrans-91.9-13.5-178.2-60173.614300111.8F24 E33 E34 D38 A39 F40F24-E36 HydrophobicContact CD1-CB 4.21Å; E33-E36 HydrophobicContact CB-CG 4.32Å; E33-E36 PolarHBondContact N-OE2 3.2Å; E33-E36 VanDerWaalsContact N-OE2 3.1Å; E33-E36 WeakPolarHBondContact O-CA 3.3Å; E33-E36 WeakPolarHBondContact O-CB 3.37Å; E33-E36 PolarHBondContact O-N 3.5Å; E34-E36 PolarHBondContact O-N 2.68Å; E36-D38 VanDerWaalsContact C-N 3.31Å; E36-D38 PolarHBondContact O-N 3.42Å; E36-A39 WeakPolarHBondContact O-CB 3.25Å; E36-A39 PolarHBondContact O-N 3.15Å; E36-A39 VanDerWaalsContact O-N 3.1Å; E36-F40 PolarHBondContact O-N 3.49Å
37L78.6Confident77.1Confident0 Ų061.8 Ų61.80%030%0.302CS..Hα-helixtrans-57.2-41.6-178.4-176.165000112.9I32 E33 E34 A39 F40 F41 F66 M67 I78 L83I32-L37 HydrophobicContact CD1-CD1 4.33Å; E33-L37 PolarHBondContact O-N 2.87Å; E34-L37 VanDerWaalsContact O-CB 3.23Å; E34-L37 WeakPolarHBondContact O-CB 3.3Å; E34-L37 PolarHBondContact O-N 2.63Å; L37-A39 VanDerWaalsContact C-N 3.31Å; L37-A39 PolarHBondContact O-N 3.42Å; L37-F40 WeakPolarHBondContact O-CB 3.33Å; L37-F40 PolarHBondContact O-N 3.47Å; L37-F41 HydrophobicContact CD1-CD2 4.17Å; L37-F41 HydrophobicContact CD1-CE1 4.07Å; L37-F41 HydrophobicContact CD1-CE2 3.66Å; L37-F41 HydrophobicContact CD1-CZ 3.63Å; L37-F41 HydrophobicContact CD2-CD2 4.49Å; L37-F41 HydrophobicContact CD2-CE2 3.62Å; L37-F41 HydrophobicContact CD2-CZ 4.05Å; L37-F41 HydrophobicContact CG-CD2 3.83Å; L37-F41 HydrophobicContact CG-CE2 3.37Å; L37-F41 HydrophobicContact CG-CZ 3.86Å; L37-F41 VanDerWaalsContact O-CD2 3.23Å; L37-F41 WeakPolarHBondContact O-CD2 3.5Å; L37-F41 WeakPolarHBondContact O-CG 3.12Å; L37-F41 PolarHBondContact O-N 2.92Å; L37-F66 HydrophobicContact CD2-CD1 4.07Å; L37-F66 HydrophobicContact CD2-CE1 4.37Å; L37-M67 HydrophobicContact CD2-CE 3.93Å; L37-I78 HydrophobicContact CB-CD1 3.88Å; L37-I78 HydrophobicContact CD1-CD1 3.71Å; L37-I78 HydrophobicContact CD2-CD1 3.62Å; L37-I78 HydrophobicContact CG-CD1 3.91Å; L37-L83 HydrophobicContact CD1-CD1 4.1Å; L37-L83 HydrophobicContact CD1-CD2 3.59Å; L37-L83 HydrophobicContact CD1-CG 4.43Å
38D78.8Confident76.7Confident65 Ų6559.1 Ų59.135%0.34829%0.287SS..Hα-helixtrans-64.1-39.2179-72-27.2000111.4E36 L42 K63E36-D38 VanDerWaalsContact C-N 3.31Å; E36-D38 PolarHBondContact O-N 3.42Å; D38-L42 WeakPolarHBondContact O-CB 3.45Å; D38-L42 PolarHBondContact O-N 3.09Å; D38-L42 VanDerWaalsContact O-N 3.12Å; D38-K63 VanDerWaalsContact OD1-CD 3.25Å; D38-K63 WeakPolarHBondContact OD1-CD 3.42Å; D38-K63 VanDerWaalsContact OD1-CE 3.26Å; D38-K63 WeakPolarHBondContact OD1-CE 3.3Å; D38-K63 IonicContact OD1-NZ 2.68Å; D38-K63 PolarHBondContact OD1-NZ 3.22Å; D38-K63 IonicContact OD2-NZ 3.95Å; D38-K63 PolarHBondContact OD2-NZ 2.95Å
39A81.7Confident76.1Confident43 Ų4355 Ų5536%0.35529%0.287SS..Hα-helixtrans-71.9-35176.900000112.1F24 E36 L37 L42 H43F24-A39 HydrophobicContact CE1-CB 3.7Å; F24-A39 HydrophobicContact CZ-CB 4.01Å; F24-A39 WeakPolarHBondContact CZ-O 3.38Å; E36-A39 WeakPolarHBondContact O-CB 3.25Å; E36-A39 PolarHBondContact O-N 3.15Å; E36-A39 VanDerWaalsContact O-N 3.1Å; L37-A39 VanDerWaalsContact C-N 3.31Å; L37-A39 PolarHBondContact O-N 3.42Å; A39-L42 PolarHBondContact O-N 2.84Å; A39-H43 PolarHBondContact O-N 2.87Å; A39-H43 PolarHBondContact O-ND1 2.74Å
40F82.2Confident75.3Confident0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-62.2-53.8174.7179.1-90.4000111.1F17 V20 W21 F24 I32 E36 L37 L42 H43 M44 F87F17-F40 HydrophobicContact CD2-CZ 4.11Å; F17-F40 HydrophobicContact CE2-CE1 4.08Å; F17-F40 AromaticContact CE2-CZ 3.62Å; F17-F40 HydrophobicContact CE2-CZ 3.62Å; F17-F40 AromaticContact CZ-CZ 3.88Å; F17-F40 HydrophobicContact CZ-CZ 3.88Å; V20-F40 HydrophobicContact CB-CE2 4.25Å; V20-F40 HydrophobicContact CG1-CD2 3.82Å; V20-F40 HydrophobicContact CG1-CE2 3.68Å; V20-F40 HydrophobicContact CG1-CZ 4.33Å; W21-F40 AromaticContact CE3-CE2 3.93Å; W21-F40 HydrophobicContact CE3-CE2 3.93Å; W21-F40 HydrophobicContact CE3-CZ 4.34Å; F24-F40 HydrophobicContact CD2-CB 4.33Å; F24-F40 AromaticContact CD2-CD2 3.67Å; F24-F40 HydrophobicContact CD2-CD2 3.67Å; F24-F40 HydrophobicContact CD2-CG 4.49Å; F24-F40 HydrophobicContact CE2-CB 4.19Å; F24-F40 HydrophobicContact CE2-CD2 4.04Å; F24-F40 HydrophobicContact CG-CD2 4.33Å; F24-F40 HydrophobicContact CZ-CB 4.36Å; I32-F40 HydrophobicContact CD1-CB 4.05Å; I32-F40 HydrophobicContact CD1-CD2 4.3Å; I32-F40 HydrophobicContact CD1-CG 4.11Å; E36-F40 PolarHBondContact O-N 3.49Å; L37-F40 WeakPolarHBondContact O-CB 3.33Å; L37-F40 PolarHBondContact O-N 3.47Å; F40-L42 VanDerWaalsContact C-N 3.27Å; F40-L42 PolarHBondContact O-N 2.84Å; F40-H43 PolarHBondContact O-N 3.4Å; F40-H43 VanDerWaalsContact O-N 3.14Å; F40-M44 HydrophobicContact CD1-CG 3.93Å; F40-M44 HydrophobicContact CE1-CG 3.5Å; F40-M44 HydrophobicContact CE1-SD 4.19Å; F40-M44 HydrophobicContact CE2-CG 4.45Å; F40-M44 HydrophobicContact CZ-CG 3.78Å; F40-M44 HydrophobicContact CZ-SD 3.91Å; F40-M44 WeakPolarHBondContact O-CG 3.39Å; F40-M44 PolarHBondContact O-N 2.81Å; F40-F87 HydrophobicContact CE1-CD2 4.3Å; F40-F87 HydrophobicContact CE1-CE2 4.07Å
41F77.8Confident74.5Confident2 Ų256.1 Ų56.11%0.00930%0.295CS..Hα-helixtrans-60.5-37.7178.4-69.1-43.4000112.3L37 M44 L45 L59 V62 K63 F66 L83 M86 F87L37-F41 HydrophobicContact CD1-CD2 4.17Å; L37-F41 HydrophobicContact CD1-CE1 4.07Å; L37-F41 HydrophobicContact CD1-CE2 3.66Å; L37-F41 HydrophobicContact CD1-CZ 3.63Å; L37-F41 HydrophobicContact CD2-CD2 4.49Å; L37-F41 HydrophobicContact CD2-CE2 3.62Å; L37-F41 HydrophobicContact CD2-CZ 4.05Å; L37-F41 HydrophobicContact CG-CD2 3.83Å; L37-F41 HydrophobicContact CG-CE2 3.37Å; L37-F41 HydrophobicContact CG-CZ 3.86Å; L37-F41 VanDerWaalsContact O-CD2 3.23Å; L37-F41 WeakPolarHBondContact O-CD2 3.5Å; L37-F41 WeakPolarHBondContact O-CG 3.12Å; L37-F41 PolarHBondContact O-N 2.92Å; F41-M44 PolarHBondContact O-N 2.85Å; F41-L45 WeakPolarHBondContact O-CB 3.33Å; F41-L45 VanDerWaalsContact O-CG 3.25Å; F41-L45 WeakPolarHBondContact O-CG 3.38Å; F41-L45 PolarHBondContact O-N 3.43Å; F41-L59 HydrophobicContact CB-CD1 3.05Å; F41-L59 HydrophobicContact CD2-CD1 3.62Å; F41-L59 HydrophobicContact CG-CD1 3.73Å; F41-V62 HydrophobicContact CD1-CG1 4.25Å; F41-V62 HydrophobicContact CE1-CG1 3.81Å; F41-V62 HydrophobicContact CZ-CG1 4.1Å; F41-K63 HydrophobicContact CD2-CB 4.46Å; F41-K63 HydrophobicContact CE2-CB 3.89Å; F41-K63 HydrophobicContact CE2-CG 4.18Å; F41-F66 HydrophobicContact CZ-CB 4.28Å; F41-F66 HydrophobicContact CZ-CG 4.42Å; F41-L83 HydrophobicContact CE1-CD2 4.08Å; F41-L83 HydrophobicContact CZ-CD2 4.42Å; F41-M86 HydrophobicContact CE1-SD 4.45Å; F41-F87 HydrophobicContact CD1-CE1 4.4Å; F41-F87 AromaticContact CD1-CE2 3.45Å; F41-F87 HydrophobicContact CD1-CE2 3.45Å; F41-F87 VanDerWaalsContact CD1-CE2 3.45Å; F41-F87 AromaticContact CD1-CZ 3.17Å; F41-F87 HydrophobicContact CD1-CZ 3.17Å; F41-F87 AromaticContact CE1-CE2 3.25Å; F41-F87 HydrophobicContact CE1-CE2 3.25Å; F41-F87 AromaticContact CE1-CZ 3.2Å; F41-F87 HydrophobicContact CE1-CZ 3.2Å; F41-F87 HydrophobicContact CG-CZ 4.44Å; F41-F87 HydrophobicContact CZ-CZ 4.49Å
42L77.3Confident73.4Confident54 Ų5456.4 Ų56.428%0.28330%0.302SS..Hα-helixtrans-63.1-42.4176.1-168.8125.6000111.7D38 A39 F40 L45 M46D38-L42 WeakPolarHBondContact O-CB 3.45Å; D38-L42 PolarHBondContact O-N 3.09Å; D38-L42 VanDerWaalsContact O-N 3.12Å; A39-L42 PolarHBondContact O-N 2.84Å; F40-L42 VanDerWaalsContact C-N 3.27Å; F40-L42 PolarHBondContact O-N 2.84Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-M46 HydrophobicContact CD2-CE 4.25Å; L42-M46 HydrophobicContact CD2-SD 4Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 WeakPolarHBondContact O-CG 3.36Å; L42-M46 PolarHBondContact O-N 3.08Å
43H78.1Confident72.3Confident62 Ų6261.5 Ų61.529%0.28733%0.333SS..Hα-helixtrans-66.4-40.5175-86.184.2000113.2V20 F24 A39 F40 M46 K47V20-H43 HydrophobicContact CG1-CB 3.82Å; F24-H43 HydrophobicContact CE2-CB 4.27Å; F24-H43 AromaticContact CZ-ND1 3.68Å; A39-H43 PolarHBondContact O-N 2.87Å; A39-H43 PolarHBondContact O-ND1 2.74Å; F40-H43 PolarHBondContact O-N 3.4Å; F40-H43 VanDerWaalsContact O-N 3.14Å; H43-M46 PolarHBondContact O-N 3.14Å; H43-K47 PolarHBondContact O-N 2.81Å
44M74.3Confident71.2Confident0 Ų061.4 Ų61.40%034%0.337CS..Hα-helixtrans-61.3-46175.6-72.3-67.1-74.700111.4L12 F17 V20 F40 F41 K47 L48 F87L12-M44 HydrophobicContact CD1-CE 3.4Å; L12-M44 HydrophobicContact CD2-CE 3.4Å; L12-M44 VanDerWaalsContact CD2-CE 3.4Å; L12-M44 HydrophobicContact CD2-SD 4.26Å; L12-M44 HydrophobicContact CG-CE 3.91Å; F17-M44 HydrophobicContact CB-CE 4.32Å; F17-M44 HydrophobicContact CD2-CE 3.63Å; F17-M44 HydrophobicContact CD2-SD 4.4Å; F17-M44 HydrophobicContact CE2-CE 4.42Å; F17-M44 HydrophobicContact CG-CE 4.38Å; V20-M44 HydrophobicContact CB-CG 4.44Å; V20-M44 HydrophobicContact CB-SD 3.66Å; V20-M44 HydrophobicContact CG1-CG 3.99Å; V20-M44 HydrophobicContact CG1-SD 3.88Å; V20-M44 HydrophobicContact CG2-SD 3.69Å; F40-M44 HydrophobicContact CD1-CG 3.93Å; F40-M44 HydrophobicContact CE1-CG 3.5Å; F40-M44 HydrophobicContact CE1-SD 4.19Å; F40-M44 HydrophobicContact CE2-CG 4.45Å; F40-M44 HydrophobicContact CZ-CG 3.78Å; F40-M44 HydrophobicContact CZ-SD 3.91Å; F40-M44 WeakPolarHBondContact O-CG 3.39Å; F40-M44 PolarHBondContact O-N 2.81Å; F41-M44 PolarHBondContact O-N 2.85Å; M44-K47 PolarHBondContact O-N 3.39Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 2.92Å; M44-F87 HydrophobicContact CE-CB 4.35Å; M44-F87 HydrophobicContact CE-CD1 4.39Å; M44-F87 HydrophobicContact CE-CD2 4.49Å; M44-F87 HydrophobicContact CE-CG 4.15Å
45L72.4Confident70.5Confident20 Ų2058.2 Ų58.211%0.10532%0.323CS..Hα-helixtrans-66.1-43.7176.8-69170.1000110.7F41 L42 K47 L48 G49 M55 L59F41-L45 WeakPolarHBondContact O-CB 3.33Å; F41-L45 VanDerWaalsContact O-CG 3.25Å; F41-L45 WeakPolarHBondContact O-CG 3.38Å; F41-L45 PolarHBondContact O-N 3.43Å; L42-L45 PolarHBondContact O-N 3.23Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.5Å; L45-L48 HydrophobicContact CD2-CD1 4.37Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 WeakPolarHBondContact O-CA 3.17Å; L45-L48 VanDerWaalsContact O-CB 3.31Å; L45-L48 WeakPolarHBondContact O-CB 3.49Å; L45-L48 PolarHBondContact O-N 3.06Å; L45-G49 PolarHBondContact O-N 2.91Å; L45-M55 HydrophobicContact CB-CE 3.74Å; L45-M55 HydrophobicContact CB-CG 3.97Å; L45-M55 HydrophobicContact CB-SD 3.47Å; L45-M55 WeakPolarHBondContact CB-SD 3.41Å; L45-M55 HydrophobicContact CD1-CB 4.41Å; L45-M55 WeakPolarHBondContact O-CE 3.41Å; L45-L59 HydrophobicContact CD1-CB 4.03Å
46M72.6Confident69.7Low104 Ų10457.6 Ų57.651%0.51232%0.32SS..Hα-helixtrans-52.9-43.5173.8-85.1-174157.200112.5L42 H43 L48 G49 M55L42-M46 HydrophobicContact CD2-CE 4.25Å; L42-M46 HydrophobicContact CD2-SD 4Å; L42-M46 WeakPolarHBondContact O-CB 3.45Å; L42-M46 WeakPolarHBondContact O-CG 3.36Å; L42-M46 PolarHBondContact O-N 3.08Å; H43-M46 PolarHBondContact O-N 3.14Å; M46-L48 VanDerWaalsContact C-N 3.26Å; M46-L48 PolarHBondContact O-N 2.9Å; M46-G49 PolarHBondContact O-N 2.56Å; M46-G49 VanDerWaalsContact O-N 3.15Å; M46-M55 HydrophobicContact CG-SD 4.23Å
47K68.3Low68.9Low113 Ų11357.9 Ų57.949%0.49133%0.332SS..Hα-helixtrans-65.5-27.4175.4-83-78.5-168.4159.80113.4V20 H43 M44 L45 G49V20-K47 HydrophobicContact CG2-CG 4.28Å; H43-K47 PolarHBondContact O-N 2.81Å; M44-K47 PolarHBondContact O-N 3.39Å; L45-K47 VanDerWaalsContact C-N 3.27Å; L45-K47 PolarHBondContact O-N 3.5Å; K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 2.81Å
48L64.4Low68.3Low60 Ų6061 Ų6131%0.31435%0.349SS..THydrogen-bonded Turntrans-80-2.9174.6-75.6160.7000114.2G10 L12 M44 L45 M46 T50G10-L48 WeakPolarHBondContact O-CD2 3.49Å; L12-L48 HydrophobicContact CD1-CD1 3.69Å; L12-L48 HydrophobicContact CD1-CG 4.47Å; L12-L48 HydrophobicContact CD2-CD1 4.18Å; L12-L48 HydrophobicContact CD2-CD2 4.37Å; L12-L48 HydrophobicContact CD2-CG 4.1Å; L12-L48 HydrophobicContact CG-CD1 3.87Å; L12-L48 HydrophobicContact CG-CD2 4.06Å; L12-L48 HydrophobicContact CG-CG 4.11Å; M44-L48 WeakPolarHBondContact O-CG 3.4Å; M44-L48 PolarHBondContact O-N 2.92Å; L45-L48 HydrophobicContact CD2-CD1 4.37Å; L45-L48 CarbonylContact O-C 3.54Å; L45-L48 WeakPolarHBondContact O-CA 3.17Å; L45-L48 VanDerWaalsContact O-CB 3.31Å; L45-L48 WeakPolarHBondContact O-CB 3.49Å; L45-L48 PolarHBondContact O-N 3.06Å; M46-L48 VanDerWaalsContact C-N 3.26Å; M46-L48 PolarHBondContact O-N 2.9Å; L48-T50 PolarHBondContact O-N 3.4Å
49G59.9Low67.8Low69 Ų6959.1 Ų59.171%0.71134%0.339SS*.THydrogen-bonded Turntrans68.230.5172.700000114.9L45 M46 K47L45-G49 PolarHBondContact O-N 2.91Å; M46-G49 PolarHBondContact O-N 2.56Å; M46-G49 VanDerWaalsContact O-N 3.15Å; K47-G49 VanDerWaalsContact C-N 3.28Å; K47-G49 PolarHBondContact O-N 2.81Å
50T57.3Low67.2Low52 Ų5262.4 Ų62.432%0.31935%0.347SS..  trans-79.9159.4179-16.30000111.7L48 V54 M55L48-T50 PolarHBondContact O-N 3.4Å; T50-V54 HydrophobicContact CG2-CB 4.36Å; T50-V54 HydrophobicContact CG2-CG1 3.99Å; T50-M55 VanDerWaalsContact N-CE 3.3Å; T50-M55 WeakPolarHBondContact O-CE 3.23Å; T50-M55 VanDerWaalsContact OG1-CE 3.31Å; T50-M55 WeakPolarHBondContact OG1-CE 3.42Å
51D58.6Low66.7Low103 Ų10368.3 Ų68.355%0.55137%0.372SS*.  trans-71.2141.1172.9-170.4-70.4000110.9T53 V54 M55D51-T53 PolarHBondContact O-N 2.88Å; D51-T53 VanDerWaalsContact O-N 3.1Å; D51-T53 PolarHBondContact OD1-N 3.49Å; D51-T53 VanDerWaalsContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 3.48Å; D51-V54 HydrophobicContact CB-CB 4.46Å; D51-V54 HydrophobicContact CB-CG2 4.28Å; D51-V54 PolarHBondContact O-N 3.03Å; D51-M55 WeakPolarHBondContact O-CG 3.18Å; D51-M55 PolarHBondContact O-N 3.43Å
52D58.4Low66.4Low89 Ų8969.7 Ų69.748%0.47638%0.381SS..Hα-helixtrans-57.5-28.7-172-150.845.9000113.4
53T59.3Low66.1Low107 Ų10769.8 Ų69.866%0.65638%0.379SS*.Hα-helixtrans-79.3-40.1176.953.30000113D51 M55D51-T53 PolarHBondContact O-N 2.88Å; D51-T53 VanDerWaalsContact O-N 3.1Å; D51-T53 PolarHBondContact OD1-N 3.49Å; D51-T53 VanDerWaalsContact OD1-N 3.16Å; D51-T53 PolarHBondContact OD1-OG1 3.48Å; T53-M55 VanDerWaalsContact C-N 3.32Å
54V59.7Low65.9Low69 Ų6972.2 Ų72.242%0.41839%0.39SS..Hα-helixtrans-70.3-33.1175.7178.80000110.4T50 D51 A57 N58T50-V54 HydrophobicContact CG2-CB 4.36Å; T50-V54 HydrophobicContact CG2-CG1 3.99Å; D51-V54 HydrophobicContact CB-CB 4.46Å; D51-V54 HydrophobicContact CB-CG2 4.28Å; D51-V54 PolarHBondContact O-N 3.03Å; V54-A57 PolarHBondContact O-N 3.46Å; V54-N58 WeakPolarHBondContact O-CB 3.25Å; V54-N58 PolarHBondContact O-N 3.26Å
55M61.5Low65.7Low8 Ų877 Ų774%0.03941%0.413CS..Hα-helixtrans-59.4-49.5175-77.8-155-179.700113.3L45 M46 T50 D51 T53 A57 N58 L59L45-M55 HydrophobicContact CB-CE 3.74Å; L45-M55 HydrophobicContact CB-CG 3.97Å; L45-M55 HydrophobicContact CB-SD 3.47Å; L45-M55 WeakPolarHBondContact CB-SD 3.41Å; L45-M55 HydrophobicContact CD1-CB 4.41Å; L45-M55 WeakPolarHBondContact O-CE 3.41Å; M46-M55 HydrophobicContact CG-SD 4.23Å; T50-M55 VanDerWaalsContact N-CE 3.3Å; T50-M55 WeakPolarHBondContact O-CE 3.23Å; T50-M55 VanDerWaalsContact OG1-CE 3.31Å; T50-M55 WeakPolarHBondContact OG1-CE 3.42Å; D51-M55 WeakPolarHBondContact O-CG 3.18Å; D51-M55 PolarHBondContact O-N 3.43Å; T53-M55 VanDerWaalsContact C-N 3.32Å; M55-A57 VanDerWaalsContact C-N 3.31Å; M55-A57 PolarHBondContact O-N 2.79Å; M55-N58 PolarHBondContact O-N 3.15Å; M55-L59 WeakPolarHBondContact O-CB 3.22Å; M55-L59 PolarHBondContact O-N 2.92Å
56K61.8Low65.7Low130 Ų13076.6 Ų76.657%0.56541%0.41SS*.Hα-helixtrans-65.3-36.2-176.6-72.8177.6-178.2166.90112.2H60K56-H60 PolarHBondContact O-N 3.45Å
57A64.9Low65.5Low65 Ų6574.5 Ų74.554%0.53740%0.4SS..Hα-helixtrans-68.7-4417500000112.1V54 M55 K61V54-A57 PolarHBondContact O-N 3.46Å; M55-A57 VanDerWaalsContact C-N 3.31Å; M55-A57 PolarHBondContact O-N 2.79Å; A57-K61 PolarHBondContact O-N 3.5Å
58N65.9Low65.5Low66 Ų6674.8 Ų74.835%0.35341%0.411SS..Hα-helixtrans-68.2-38.4176.5-76.8-19.8000112.3V54 M55 H60 K61 V62V54-N58 WeakPolarHBondContact O-CB 3.25Å; V54-N58 PolarHBondContact O-N 3.26Å; M55-N58 PolarHBondContact O-N 3.15Å; N58-H60 PolarHBondContact O-N 3.1Å; N58-K61 PolarHBondContact O-N 3.14Å; N58-V62 WeakPolarHBondContact O-CB 3.4Å; N58-V62 VanDerWaalsContact O-CG2 3.22Å; N58-V62 WeakPolarHBondContact O-CG2 3.46Å; N58-V62 PolarHBondContact O-N 2.82Å
59L67.9Low65.5Low25 Ų2577.5 Ų77.513%0.13143%0.43CS..Hα-helixtrans-55.5-49.7176173.765.2000111.2F41 L45 M55 K61 V62 K63F41-L59 HydrophobicContact CB-CD1 3.05Å; F41-L59 HydrophobicContact CD2-CD1 3.62Å; F41-L59 HydrophobicContact CG-CD1 3.73Å; L45-L59 HydrophobicContact CD1-CB 4.03Å; M55-L59 WeakPolarHBondContact O-CB 3.22Å; M55-L59 PolarHBondContact O-N 2.92Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.31Å; L59-V62 PolarHBondContact O-N 3.35Å; L59-K63 VanDerWaalsContact O-CB 3.25Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 3.41Å
60H69.3Low65.6Low113 Ų11376 Ų7652%0.52340%0.403SS..Hα-helixtrans-63.6-39.8178.9-172.6-90.4000111.7K56 N58 Q64K56-H60 PolarHBondContact O-N 3.45Å; N58-H60 PolarHBondContact O-N 3.1Å; H60-Q64 VanDerWaalsContact CE1-CD 3.43Å; H60-Q64 PolarHBondContact CE1-NE2 3.44Å; H60-Q64 WeakPolarHBondContact O-CB 3.43Å; H60-Q64 WeakPolarHBondContact O-CG 3.39Å; H60-Q64 PolarHBondContact O-N 2.84Å
61K71.3Confident65.4Low124 Ų12481.1 Ų81.154%0.53943%0.429SS..Hα-helixtrans-67.1-44.9178.2-169.2179.5179.4-176.20112.2A57 N58 L59 Q64 Q65A57-K61 PolarHBondContact O-N 3.5Å; N58-K61 PolarHBondContact O-N 3.14Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.31Å; K61-Q64 PolarHBondContact O-N 3.02Å; K61-Q65 WeakPolarHBondContact O-CB 3.18Å; K61-Q65 WeakPolarHBondContact O-CG 3.35Å; K61-Q65 PolarHBondContact O-N 3.44Å
62V70.3Confident64.9Low30 Ų3080.2 Ų80.218%0.18244%0.436CS..Hα-helixtrans-64.4-47.1176.4171.70000109.7F41 N58 L59 Q64 Q65 F66 M86 F87F41-V62 HydrophobicContact CD1-CG1 4.25Å; F41-V62 HydrophobicContact CE1-CG1 3.81Å; F41-V62 HydrophobicContact CZ-CG1 4.1Å; N58-V62 WeakPolarHBondContact O-CB 3.4Å; N58-V62 VanDerWaalsContact O-CG2 3.22Å; N58-V62 WeakPolarHBondContact O-CG2 3.46Å; N58-V62 PolarHBondContact O-N 2.82Å; L59-V62 PolarHBondContact O-N 3.35Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 2.8Å; V62-Q65 PolarHBondContact O-N 3.18Å; V62-Q65 VanDerWaalsContact O-N 3.16Å; V62-F66 WeakPolarHBondContact O-CB 3.37Å; V62-F66 PolarHBondContact O-N 3.44Å; V62-M86 HydrophobicContact CB-CE 4.46Å; V62-M86 HydrophobicContact CG1-CE 3.67Å; V62-M86 HydrophobicContact CG1-SD 3.94Å; V62-M86 WeakPolarHBondContact O-CE 3.24Å; V62-F87 HydrophobicContact CG1-CE1 4.13Å; V62-F87 HydrophobicContact CG1-CZ 3.79Å
63K72.3Confident64.5Low56 Ų5677.9 Ų77.924%0.24343%0.426CS..Hα-helixtrans-57.5-45.2175.3-174.7-179.7-171168.70112.2D38 F41 L59 F66 M67D38-K63 VanDerWaalsContact OD1-CD 3.25Å; D38-K63 WeakPolarHBondContact OD1-CD 3.42Å; D38-K63 VanDerWaalsContact OD1-CE 3.26Å; D38-K63 WeakPolarHBondContact OD1-CE 3.3Å; D38-K63 IonicContact OD1-NZ 2.68Å; D38-K63 PolarHBondContact OD1-NZ 3.22Å; D38-K63 IonicContact OD2-NZ 3.95Å; D38-K63 PolarHBondContact OD2-NZ 2.95Å; F41-K63 HydrophobicContact CD2-CB 4.46Å; F41-K63 HydrophobicContact CE2-CB 3.89Å; F41-K63 HydrophobicContact CE2-CG 4.18Å; L59-K63 VanDerWaalsContact O-CB 3.25Å; L59-K63 WeakPolarHBondContact O-CB 3.37Å; L59-K63 PolarHBondContact O-N 3.41Å; K63-F66 PolarHBondContact O-N 3.27Å; K63-M67 HydrophobicContact CG-CG 4.38Å; K63-M67 WeakPolarHBondContact O-CB 3.35Å; K63-M67 VanDerWaalsContact O-CG 3.23Å; K63-M67 WeakPolarHBondContact O-CG 3.4Å; K63-M67 PolarHBondContact O-N 2.96Å
64Q73.4Confident64.3Low114 Ų11482.5 Ų82.553%0.53344%0.437SS..Hα-helixtrans-64.1-41176.9-81.2-169-26.600112.5H60 K61 V62 M67 T68H60-Q64 VanDerWaalsContact CE1-CD 3.43Å; H60-Q64 PolarHBondContact CE1-NE2 3.44Å; H60-Q64 WeakPolarHBondContact O-CB 3.43Å; H60-Q64 WeakPolarHBondContact O-CG 3.39Å; H60-Q64 PolarHBondContact O-N 2.84Å; K61-Q64 PolarHBondContact O-N 3.02Å; V62-Q64 VanDerWaalsContact C-N 3.34Å; V62-Q64 PolarHBondContact O-N 2.8Å; Q64-M67 PolarHBondContact O-N 3.29Å; Q64-T68 WeakPolarHBondContact O-CB 3.45Å; Q64-T68 WeakPolarHBondContact O-CG2 2.87Å; Q64-T68 PolarHBondContact O-N 3.09Å; Q64-T68 PolarHBondContact O-OG1 3.04Å
65Q71.3Confident64.5Low101 Ų10183.8 Ų83.847%0.47244%0.442SS..Hα-helixtrans-61.3-46173.7-76.8178.8-28.100110.9K61 V62 M67 T68 T69 M86K61-Q65 WeakPolarHBondContact O-CB 3.18Å; K61-Q65 WeakPolarHBondContact O-CG 3.35Å; K61-Q65 PolarHBondContact O-N 3.44Å; V62-Q65 PolarHBondContact O-N 3.18Å; V62-Q65 VanDerWaalsContact O-N 3.16Å; Q65-M67 PolarHBondContact O-N 2.98Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.35Å; Q65-T68 PolarHBondContact O-N 2.89Å; Q65-T68 PolarHBondContact O-OG1 3.37Å; Q65-T69 PolarHBondContact O-N 3.17Å; Q65-T69 VanDerWaalsContact O-N 3.09Å; Q65-T69 PolarHBondContact O-OG1 2.76Å; Q65-M86 HydrophobicContact CB-CE 3.82Å
66F70.8Confident64.8Low10 Ų1084.8 Ų84.84%0.04445%0.454CS..Hα-helixtrans-59.2-49.3177.9-169.8-111.9000112.1L37 F41 V62 K63 T68 T69 R70 I78 E82 L83 M86L37-F66 HydrophobicContact CD2-CD1 4.07Å; L37-F66 HydrophobicContact CD2-CE1 4.37Å; F41-F66 HydrophobicContact CZ-CB 4.28Å; F41-F66 HydrophobicContact CZ-CG 4.42Å; V62-F66 WeakPolarHBondContact O-CB 3.37Å; V62-F66 PolarHBondContact O-N 3.44Å; K63-F66 PolarHBondContact O-N 3.27Å; F66-T68 PolarHBondContact O-N 3.48Å; F66-T69 PolarHBondContact O-N 3.31Å; F66-T69 PolarHBondContact O-OG1 3.48Å; F66-R70 WeakPolarHBondContact O-CB 3.45Å; F66-R70 PolarHBondContact O-N 3.1Å; F66-I78 HydrophobicContact CE1-CD1 4.09Å; F66-I78 HydrophobicContact CE1-CG1 4.46Å; F66-I78 HydrophobicContact CE1-CG2 3.84Å; F66-I78 HydrophobicContact CZ-CG2 3.59Å; F66-E82 HydrophobicContact CZ-CB 4.3Å; F66-L83 HydrophobicContact CE1-CD2 4.35Å; F66-L83 HydrophobicContact CE2-CD2 4.03Å; F66-L83 HydrophobicContact CE2-CG 4.36Å; F66-L83 HydrophobicContact CZ-CD2 3.94Å; F66-L83 HydrophobicContact CZ-CG 4.07Å; F66-M86 HydrophobicContact CB-CE 3.8Å; F66-M86 HydrophobicContact CB-SD 3.55Å; F66-M86 VanDerWaalsContact CB-SD 3.55Å; F66-M86 HydrophobicContact CD2-CB 4.1Å; F66-M86 HydrophobicContact CD2-CG 4.03Å; F66-M86 HydrophobicContact CD2-SD 3.4Å; F66-M86 WeakPolarHBondContact CD2-SD 3.36Å; F66-M86 HydrophobicContact CE2-CB 4.38Å; F66-M86 HydrophobicContact CE2-SD 4.43Å; F66-M86 HydrophobicContact CG-SD 3.83Å
67M68.4Low65.6Low60 Ų6082 Ų8230%0.29644%0.443SS..Hα-helixtrans-65.6-24.6-179.7-69.4-63.9-177.300113.5E34 L37 K63 Q64 Q65E34-M67 HydrophobicContact CG-CE 3.97Å; E34-M67 WeakPolarHBondContact OE1-CE 3.31Å; L37-M67 HydrophobicContact CD2-CE 3.93Å; K63-M67 HydrophobicContact CG-CG 4.38Å; K63-M67 WeakPolarHBondContact O-CB 3.35Å; K63-M67 VanDerWaalsContact O-CG 3.23Å; K63-M67 WeakPolarHBondContact O-CG 3.4Å; K63-M67 PolarHBondContact O-N 2.96Å; Q64-M67 PolarHBondContact O-N 3.29Å; Q65-M67 PolarHBondContact O-N 2.98Å
68T68.6Low66.2Low120 Ų12078.9 Ų78.974%0.73642%0.417SS*.Hα-helixtrans-85.4-31.1177.844.80000113Q64 Q65 F66Q64-T68 WeakPolarHBondContact O-CB 3.45Å; Q64-T68 WeakPolarHBondContact O-CG2 2.87Å; Q64-T68 PolarHBondContact O-N 3.09Å; Q64-T68 PolarHBondContact O-OG1 3.04Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.35Å; Q65-T68 PolarHBondContact O-N 2.89Å; Q65-T68 PolarHBondContact O-OG1 3.37Å; F66-T68 PolarHBondContact O-N 3.48Å
69T64.2Low66.9Low116 Ų11680.7 Ų80.771%0.71242%0.423SS*.Hα-helixtrans-80.9-1717130.40000114Q65 F66 D71Q65-T69 PolarHBondContact O-N 3.17Å; Q65-T69 VanDerWaalsContact O-N 3.09Å; Q65-T69 PolarHBondContact O-OG1 2.76Å; F66-T69 PolarHBondContact O-N 3.31Å; F66-T69 PolarHBondContact O-OG1 3.48Å; T69-D71 PolarHBondContact O-N 3.11Å
70R62.8Low67.4Low39 Ų3979.5 Ų79.515%0.14742%0.417CS..SBendtrans-73.9110.8177.5-168.9177.2-178-161.20.9109.5E34 F66 A72 S73 H77E34-R70 IonicContact OE2-NH1 3.6Å; E34-R70 PolarHBondContact OE2-NH1 3.44Å; F66-R70 WeakPolarHBondContact O-CB 3.45Å; F66-R70 PolarHBondContact O-N 3.1Å; R70-A72 PolarHBondContact O-N 2.77Å; R70-S73 PolarHBondContact NH2-O 3.32Å; R70-H77 PolarHBondContact NH2-O 3.21Å
71D53.8Low67.6Low159 Ų15979 Ų7985%0.8541%0.413SS*.  trans-65127.2161.6-128.2-16.7000107T69 S73T69-D71 PolarHBondContact O-N 3.11Å; D71-S73 PolarHBondContact O-N 3.01Å
72A48Very low67.9Low84 Ų8476.2 Ų76.269%0.69440%0.402SS*.  trans-56.485.7-161.500000114.4R70 K74R70-A72 PolarHBondContact O-N 2.77Å; A72-K74 PolarHBondContact O-N 3.11Å; A72-K74 VanDerWaalsContact O-N 3.14Å
73S49.6Very low68.2Low39 Ų3974.8 Ų74.827%0.27339%0.394SS..  trans-72105.9166.7-154.60000107.3R70 D71 D75R70-S73 PolarHBondContact NH2-O 3.32Å; D71-S73 PolarHBondContact O-N 3.01Å; S73-D75 WeakPolarHBondContact CA-OD1 3.5Å; S73-D75 WeakPolarHBondContact CB-OD1 3.37Å; S73-D75 PolarHBondContact O-N 3.24Å; S73-D75 PolarHBondContact OG-OD1 2.89Å
74K55.2Low68.4Low205 Ų20572.1 Ų72.189%0.89138%0.382SS*.THydrogen-bonded Turntrans-69.57.8-174.2-76.2-180175176.90114.5A72A72-K74 PolarHBondContact O-N 3.11Å; A72-K74 VanDerWaalsContact O-N 3.14Å
75D62.4Low68.2Low96 Ų9669 Ų6951%0.51338%0.381SS..THydrogen-bonded Turntrans-97-11-163.4-24.936.3000112.4S73 H77S73-D75 WeakPolarHBondContact CA-OD1 3.5Å; S73-D75 WeakPolarHBondContact CB-OD1 3.37Å; S73-D75 PolarHBondContact O-N 3.24Å; S73-D75 PolarHBondContact OG-OD1 2.89Å; D75-H77 HydrophobicContact CB-CB 4.46Å; D75-H77 PolarHBondContact O-N 3.36Å; D75-H77 PolarHBondContact O-ND1 3.32Å
76G69.3Low68.2Low29 Ų2966.9 Ų66.930%0.29937%0.371SS..SBendtrans64.94-174.900000114.4E34E34-G76 WeakPolarHBondContact CB-O 3.09Å; E34-G76 PolarHBondContact N-O 2.81Å
77H79Confident68.1Low71 Ų7168.3 Ų68.333%0.32938%0.378SS..EExtended strand (participates in β ladder)trans-102.1137.9176.5-58.4136.9000110.3Y31 R70 D75Y31-H77 HydrophobicContact CD2-CB 3.7Å; Y31-H77 AromaticContact CD2-CD2 3.42Å; Y31-H77 VanDerWaalsContact CD2-CD2 3.42Å; Y31-H77 WeakPolarHBondContact CD2-CD2 3.32Å; Y31-H77 AromaticContact CD2-CG 3.56Å; Y31-H77 HydrophobicContact CE2-CB 4.31Å; Y31-H77 AromaticContact CE2-CD2 3.22Å; Y31-H77 WeakPolarHBondContact CE2-CD2 3.41Å; Y31-H77 AromaticContact CE2-CE1 3.99Å; Y31-H77 AromaticContact CE2-CG 3.65Å; Y31-H77 AromaticContact CE2-NE2 3.47Å; Y31-H77 WeakPolarHBondContact CE2-NE2 3.23Å; Y31-H77 HydrophobicContact CG-CB 4.08Å; R70-H77 PolarHBondContact NH2-O 3.21Å; D75-H77 HydrophobicContact CB-CB 4.46Å; D75-H77 PolarHBondContact O-N 3.36Å; D75-H77 PolarHBondContact O-ND1 3.32Å
78I77.4Confident68.2Low0 Ų066 Ų660%037%0.366CS..EExtended strand (participates in β ladder)trans-114.7117.5178.5-56172.2000107.6Y31 I32 E34 L37 F66 L83Y31-I78 CarbonylContact C-O 3.46Å; Y31-I78 VanDerWaalsContact CA-O 3.24Å; Y31-I78 WeakPolarHBondContact CA-O 3.39Å; Y31-I78 WeakPolarHBondContact CB-O 3.47Å; I32-I78 HydrophobicContact CG1-CB 4.07Å; I32-I78 PolarHBondContact N-O 2.89Å; I32-I78 PolarHBondContact O-N 3.45Å; E34-I78 HydrophobicContact CB-CD1 4.26Å; E34-I78 HydrophobicContact CG-CD1 4.37Å; L37-I78 HydrophobicContact CB-CD1 3.88Å; L37-I78 HydrophobicContact CD1-CD1 3.71Å; L37-I78 HydrophobicContact CD2-CD1 3.62Å; L37-I78 HydrophobicContact CG-CD1 3.91Å; F66-I78 HydrophobicContact CE1-CD1 4.09Å; F66-I78 HydrophobicContact CE1-CG1 4.46Å; F66-I78 HydrophobicContact CE1-CG2 3.84Å; F66-I78 HydrophobicContact CZ-CG2 3.59Å; I78-L83 HydrophobicContact CB-CD1 4.18Å; I78-L83 HydrophobicContact CG2-CD1 3.4Å; I78-L83 HydrophobicContact CG2-CD2 4.33Å; I78-L83 HydrophobicContact CG2-CG 3.52Å
79Q80.4Confident68.3Low103 Ų10362 Ų6248%0.48134%0.344SS..EExtended strand (participates in β ladder)trans-75147.8-177.8-60.2-172.819.200110.6K81 E82 L83Q79-K81 PolarHBondContact O-N 3.11Å; Q79-E82 HydrophobicContact CB-CG 4.09Å; Q79-E82 PolarHBondContact N-OE2 3.04Å; Q79-E82 WeakPolarHBondContact O-CB 3.36Å; Q79-E82 PolarHBondContact O-N 3.43Å; Q79-L83 PolarHBondContact O-N 2.88Å
80M78.6Confident68.5Low1 Ų164.6 Ų64.61%0.00535%0.347CS..Hα-helixtrans-53.5-42.5176.5-169.9-172.67400112.6F17 W18 W21 G30 E82 L83 A84 L96F17-M80 HydrophobicContact CE1-CG 3.88Å; F17-M80 HydrophobicContact CZ-CG 4.47Å; W18-M80 HydrophobicContact CE3-SD 3.95Å; W18-M80 HydrophobicContact CZ3-CE 4.49Å; W18-M80 HydrophobicContact CZ3-SD 3.51Å; W18-M80 VanDerWaalsContact CZ3-SD 3.51Å; W21-M80 HydrophobicContact CD2-CB 4.18Å; W21-M80 HydrophobicContact CD2-CG 3.69Å; W21-M80 HydrophobicContact CD2-SD 4.3Å; W21-M80 HydrophobicContact CE3-CB 4.37Å; W21-M80 HydrophobicContact CE3-CG 3.97Å; W21-M80 HydrophobicContact CG-CG 4.23Å; W21-M80 HydrophobicContact CG-SD 4.28Å; W21-M80 HydrophobicContact CH2-CB 3.66Å; W21-M80 HydrophobicContact CH2-CG 4.18Å; W21-M80 HydrophobicContact CZ2-CB 3.44Å; W21-M80 VanDerWaalsContact CZ2-CB 3.44Å; W21-M80 HydrophobicContact CZ2-CG 3.93Å; W21-M80 HydrophobicContact CZ3-CB 4.13Å; W21-M80 HydrophobicContact CZ3-CG 4.2Å; G30-M80 PolarHBondContact O-N 3.02Å; M80-E82 VanDerWaalsContact C-N 3.26Å; M80-E82 PolarHBondContact O-N 3.29Å; M80-L83 PolarHBondContact O-N 3.28Å; M80-A84 WeakPolarHBondContact O-CB 3.39Å; M80-A84 PolarHBondContact O-N 2.75Å; M80-L96 HydrophobicContact CE-CD2 3.8Å; M80-L96 HydrophobicContact CE-CG 3.95Å; M80-L96 HydrophobicContact CG-CD2 4.08Å; M80-L96 HydrophobicContact SD-CD2 3.97Å; M80-L96 HydrophobicContact SD-CG 4.28Å
81K73.3Confident68.7Low102 Ų10265.8 Ų65.844%0.44336%0.357SS..Hα-helixtrans-63.1-32.2-178.9-67.6-174.5177.8-175.40112.6Q79 G85 V97Q79-K81 PolarHBondContact O-N 3.11Å; K81-G85 PolarHBondContact O-N 3.36Å; K81-V97 HydrophobicContact CG-CG2 4.35Å
82E77.5Confident69.4Low66 Ų6659.6 Ų59.631%0.30832%0.323SS..Hα-helixtrans-70.6-45.1177.6-64.5172.6170.500110.8F66 Q79 M80 G85 M86F66-E82 HydrophobicContact CZ-CB 4.3Å; Q79-E82 HydrophobicContact CB-CG 4.09Å; Q79-E82 PolarHBondContact N-OE2 3.04Å; Q79-E82 WeakPolarHBondContact O-CB 3.36Å; Q79-E82 PolarHBondContact O-N 3.43Å; M80-E82 VanDerWaalsContact C-N 3.26Å; M80-E82 PolarHBondContact O-N 3.29Å; E82-G85 PolarHBondContact O-N 3.14Å; E82-M86 PolarHBondContact O-N 3.34Å
83L77Confident70.6Confident0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-70.1-39.3177.1-81.6163.3000112.5F17 W21 I32 L37 F41 F66 I78 Q79 M80 G85 M86 F87F17-L83 HydrophobicContact CE2-CB 4.2Å; F17-L83 HydrophobicContact CZ-CB 3.89Å; W21-L83 HydrophobicContact CH2-CD1 4.43Å; W21-L83 HydrophobicContact CZ3-CB 4.49Å; W21-L83 HydrophobicContact CZ3-CD1 3.68Å; I32-L83 HydrophobicContact CD1-CD1 3.43Å; I32-L83 VanDerWaalsContact CD1-CD1 3.43Å; I32-L83 HydrophobicContact CG1-CD1 3.82Å; L37-L83 HydrophobicContact CD1-CD1 4.1Å; L37-L83 HydrophobicContact CD1-CD2 3.59Å; L37-L83 HydrophobicContact CD1-CG 4.43Å; F41-L83 HydrophobicContact CE1-CD2 4.08Å; F41-L83 HydrophobicContact CZ-CD2 4.42Å; F66-L83 HydrophobicContact CE1-CD2 4.35Å; F66-L83 HydrophobicContact CE2-CD2 4.03Å; F66-L83 HydrophobicContact CE2-CG 4.36Å; F66-L83 HydrophobicContact CZ-CD2 3.94Å; F66-L83 HydrophobicContact CZ-CG 4.07Å; I78-L83 HydrophobicContact CB-CD1 4.18Å; I78-L83 HydrophobicContact CG2-CD1 3.4Å; I78-L83 HydrophobicContact CG2-CD2 4.33Å; I78-L83 HydrophobicContact CG2-CG 3.52Å; Q79-L83 PolarHBondContact O-N 2.88Å; M80-L83 PolarHBondContact O-N 3.28Å; L83-G85 VanDerWaalsContact C-N 3.34Å; L83-G85 PolarHBondContact O-N 3.34Å; L83-M86 WeakPolarHBondContact O-CB 3.41Å; L83-M86 PolarHBondContact O-N 3.48Å; L83-M86 VanDerWaalsContact O-N 3.14Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 2.87Å; L83-F87 VanDerWaalsContact O-N 3.15Å
84A74.9Confident71.6Confident0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-59.6-45.5174.500000110.8F17 M80 M86 F87 L88 N93 L96F17-A84 HydrophobicContact CE1-CB 4.32Å; F17-A84 HydrophobicContact CZ-CB 4.13Å; M80-A84 WeakPolarHBondContact O-CB 3.39Å; M80-A84 PolarHBondContact O-N 2.75Å; A84-M86 PolarHBondContact O-N 3.33Å; A84-M86 VanDerWaalsContact O-N 3.1Å; A84-F87 PolarHBondContact O-N 2.88Å; A84-L88 HydrophobicContact CB-CD1 4.08Å; A84-L88 WeakPolarHBondContact O-CA 3.43Å; A84-L88 WeakPolarHBondContact O-CB 3.32Å; A84-L88 PolarHBondContact O-N 2.82Å; A84-N93 HydrophobicContact CB-CB 4.49Å; A84-N93 WeakPolarHBondContact CB-OD1 3.22Å; A84-L96 HydrophobicContact CB-CD2 3.5Å
85G69.9Low72.2Confident49 Ų4947.6 Ų47.651%0.50525%0.252SS..Hα-helixtrans-62.1-18.617700000114.8K81 E82 L83K81-G85 PolarHBondContact O-N 3.36Å; E82-G85 PolarHBondContact O-N 3.14Å; L83-G85 VanDerWaalsContact C-N 3.34Å; L83-G85 PolarHBondContact O-N 3.34Å
86M72.1Confident72.6Confident55 Ų5543.1 Ų43.127%0.27123%0.228SC..Hα-helixtrans-88.6-38.9176.8-160.2-158.9-177.800113.1F41 V62 Q65 F66 E82 L83 A84F41-M86 HydrophobicContact CE1-SD 4.45Å; V62-M86 HydrophobicContact CB-CE 4.46Å; V62-M86 HydrophobicContact CG1-CE 3.67Å; V62-M86 HydrophobicContact CG1-SD 3.94Å; V62-M86 WeakPolarHBondContact O-CE 3.24Å; Q65-M86 HydrophobicContact CB-CE 3.82Å; F66-M86 HydrophobicContact CB-CE 3.8Å; F66-M86 HydrophobicContact CB-SD 3.55Å; F66-M86 VanDerWaalsContact CB-SD 3.55Å; F66-M86 HydrophobicContact CD2-CB 4.1Å; F66-M86 HydrophobicContact CD2-CG 4.03Å; F66-M86 HydrophobicContact CD2-SD 3.4Å; F66-M86 WeakPolarHBondContact CD2-SD 3.36Å; F66-M86 HydrophobicContact CE2-CB 4.38Å; F66-M86 HydrophobicContact CE2-SD 4.43Å; F66-M86 HydrophobicContact CG-SD 3.83Å; E82-M86 PolarHBondContact O-N 3.34Å; L83-M86 WeakPolarHBondContact O-CB 3.41Å; L83-M86 PolarHBondContact O-N 3.48Å; L83-M86 VanDerWaalsContact O-N 3.14Å; A84-M86 PolarHBondContact O-N 3.33Å; A84-M86 VanDerWaalsContact O-N 3.1Å
87F67.7Low72.6Confident41 Ų4143 Ų4318%0.1822%0.221CC..Hα-helixtrans-95.5-31-175.2-78-66.8000114.6L12 F17 F40 F41 M44 V62 L83 A84L12-F87 HydrophobicContact CD1-CB 4.16Å; L12-F87 HydrophobicContact CD1-CD1 3.64Å; L12-F87 HydrophobicContact CD1-CE1 4.49Å; L12-F87 HydrophobicContact CD1-CG 4.2Å; F17-F87 HydrophobicContact CD2-CB 4.19Å; F17-F87 HydrophobicContact CE2-CB 4.32Å; F17-F87 HydrophobicContact CE2-CD2 4.14Å; F40-F87 HydrophobicContact CE1-CD2 4.3Å; F40-F87 HydrophobicContact CE1-CE2 4.07Å; F41-F87 HydrophobicContact CD1-CE1 4.4Å; F41-F87 AromaticContact CD1-CE2 3.45Å; F41-F87 HydrophobicContact CD1-CE2 3.45Å; F41-F87 VanDerWaalsContact CD1-CE2 3.45Å; F41-F87 AromaticContact CD1-CZ 3.17Å; F41-F87 HydrophobicContact CD1-CZ 3.17Å; F41-F87 AromaticContact CE1-CE2 3.25Å; F41-F87 HydrophobicContact CE1-CE2 3.25Å; F41-F87 AromaticContact CE1-CZ 3.2Å; F41-F87 HydrophobicContact CE1-CZ 3.2Å; F41-F87 HydrophobicContact CG-CZ 4.44Å; F41-F87 HydrophobicContact CZ-CZ 4.49Å; M44-F87 HydrophobicContact CE-CB 4.35Å; M44-F87 HydrophobicContact CE-CD1 4.39Å; M44-F87 HydrophobicContact CE-CD2 4.49Å; M44-F87 HydrophobicContact CE-CG 4.15Å; V62-F87 HydrophobicContact CG1-CE1 4.13Å; V62-F87 HydrophobicContact CG1-CZ 3.79Å; L83-F87 HydrophobicContact CD2-CE2 4.19Å; L83-F87 WeakPolarHBondContact O-CD2 3.33Å; L83-F87 PolarHBondContact O-N 2.87Å; L83-F87 VanDerWaalsContact O-N 3.15Å; A84-F87 PolarHBondContact O-N 2.88Å
88L70.3Confident72.2Confident10 Ų1039.9 Ų39.95%0.05221%0.207CC..SBendtrans-105.2145.2-173.8-58.2-178.7000108.8L12 A14 F17 A84 E92 N93 L96L12-L88 HydrophobicContact CB-CD2 4.12Å; L12-L88 WeakPolarHBondContact O-CD2 3.19Å; A14-L88 HydrophobicContact CB-CD1 4.14Å; F17-L88 HydrophobicContact CB-CD1 4.02Å; F17-L88 HydrophobicContact CB-CD2 4.09Å; F17-L88 HydrophobicContact CB-CG 4.38Å; F17-L88 HydrophobicContact CD1-CD1 4.32Å; F17-L88 HydrophobicContact CD2-CD1 4.26Å; F17-L88 HydrophobicContact CD2-CG 4.23Å; F17-L88 HydrophobicContact CG-CD1 3.94Å; F17-L88 HydrophobicContact CG-CG 4.34Å; A84-L88 HydrophobicContact CB-CD1 4.08Å; A84-L88 WeakPolarHBondContact O-CA 3.43Å; A84-L88 WeakPolarHBondContact O-CB 3.32Å; A84-L88 PolarHBondContact O-N 2.82Å; L88-E92 HydrophobicContact CB-CB 3.72Å; L88-E92 HydrophobicContact CD1-CB 4.32Å; L88-E92 HydrophobicContact CD2-CB 4.08Å; L88-E92 HydrophobicContact CG-CB 4.26Å; L88-N93 HydrophobicContact CB-CB 4.45Å; L88-L96 HydrophobicContact CD1-CB 4.24Å; L88-L96 HydrophobicContact CD1-CD2 3.97Å
89S71.8Confident71.9Confident37 Ų3741.3 Ų41.326%0.25921%0.212SC..  trans-62.5159.7164.545.80000110.1D91 E92 N93S89-D91 PolarHBondContact O-N 3.28Å; S89-E92 PolarHBondContact O-N 3.33Å; S89-N93 PolarHBondContact O-N 3.05Å
90E67.8Low71.3Confident170 Ų17041.2 Ų41.279%0.79421%0.207SC*.Hα-helixtrans-47.4-40.5174.9-66.9-176.9167.700111.6N93 F94E90-N93 PolarHBondContact O-N 3.21Å; E90-F94 WeakPolarHBondContact O-CB 3.39Å; E90-F94 PolarHBondContact O-N 2.83Å
91D65.9Low70.6Confident65 Ų6544.5 Ų44.535%0.34822%0.223SC..Hα-helixtrans-59.2-45.5176.4-55.4-17.1000113.9S89 F94 L95 I160S89-D91 PolarHBondContact O-N 3.28Å; D91-F94 WeakPolarHBondContact O-CB 3.23Å; D91-L95 WeakPolarHBondContact O-CG 3.2Å; D91-L95 PolarHBondContact O-N 2.77Å; D91-I160 HydrophobicContact CB-CB 4.37Å; D91-I160 HydrophobicContact CB-CD1 3.56Å; D91-I160 HydrophobicContact CB-CG1 3.69Å; D91-I160 HydrophobicContact CB-CG2 3.74Å; D91-I160 VanDerWaalsContact CG-CG1 3.42Å; D91-I160 WeakPolarHBondContact OD1-CG1 3.4Å
92E69.5Low70.1Confident29 Ų2939.8 Ų39.814%0.13620%0.202CC..Hα-helixtrans-78.8-31.7-179.3-72.8-67.1151.300110.7A14 L88 S89 L95 L96A14-E92 HydrophobicContact CB-CB 4.36Å; A14-E92 WeakPolarHBondContact CB-O 3.32Å; A14-E92 VanDerWaalsContact CB-OE2 3.24Å; A14-E92 WeakPolarHBondContact CB-OE2 3.31Å; A14-E92 PolarHBondContact N-OE2 3.27Å; L88-E92 HydrophobicContact CB-CB 3.72Å; L88-E92 HydrophobicContact CD1-CB 4.32Å; L88-E92 HydrophobicContact CD2-CB 4.08Å; L88-E92 HydrophobicContact CG-CB 4.26Å; S89-E92 PolarHBondContact O-N 3.33Å; E92-L95 PolarHBondContact O-N 3.32Å; E92-L96 WeakPolarHBondContact O-CB 3.25Å; E92-L96 PolarHBondContact O-N 3.31Å
93N72.2Confident69.3Low36 Ų3639.7 Ų39.719%0.19321%0.208CC..Hα-helixtrans-64.6-41172.2-168.212.6000111.3A84 L88 S89 E90 L96 V97A84-N93 HydrophobicContact CB-CB 4.49Å; A84-N93 WeakPolarHBondContact CB-OD1 3.22Å; L88-N93 HydrophobicContact CB-CB 4.45Å; S89-N93 PolarHBondContact O-N 3.05Å; E90-N93 PolarHBondContact O-N 3.21Å; N93-L96 WeakPolarHBondContact O-CB 3.39Å; N93-L96 PolarHBondContact O-N 3.22Å; N93-V97 WeakPolarHBondContact O-CG2 2.91Å; N93-V97 PolarHBondContact O-N 2.73Å; N93-V97 VanDerWaalsContact O-N 3.11Å
94F71.3Confident68.5Low40 Ų4040 Ų4018%0.17521%0.209CC..Hα-helixtrans-57.1-49.5172.1173.3-97.5000111.5E90 D91 L96 V97 F98 Y153 T156 M157E90-F94 WeakPolarHBondContact O-CB 3.39Å; E90-F94 PolarHBondContact O-N 2.83Å; D91-F94 WeakPolarHBondContact O-CB 3.23Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.85Å; F94-V97 PolarHBondContact O-N 3.02Å; F94-F98 HydrophobicContact CE1-CB 4.49Å; F94-F98 WeakPolarHBondContact O-CB 3.49Å; F94-F98 PolarHBondContact O-N 2.93Å; F94-Y153 AromaticContact CE2-CD1 3.29Å; F94-Y153 HydrophobicContact CE2-CD1 3.29Å; F94-Y153 AromaticContact CE2-CE1 3.53Å; F94-Y153 HydrophobicContact CE2-CE1 3.53Å; F94-Y153 HydrophobicContact CE2-CG 4.23Å; F94-Y153 AromaticContact CZ-CD1 3.45Å; F94-Y153 HydrophobicContact CZ-CD1 3.45Å; F94-Y153 VanDerWaalsContact CZ-CD1 3.45Å; F94-Y153 HydrophobicContact CZ-CE1 4.07Å; F94-Y153 AromaticContact CZ-CG 3.96Å; F94-Y153 HydrophobicContact CZ-CG 3.96Å; F94-T156 HydrophobicContact CD1-CG2 4.26Å; F94-T156 HydrophobicContact CD2-CG2 4.4Å; F94-T156 HydrophobicContact CG-CG2 4.19Å; F94-M157 HydrophobicContact CE1-CE 3.66Å; F94-M157 HydrophobicContact CE1-CG 3.8Å; F94-M157 HydrophobicContact CZ-CE 4Å; F94-M157 HydrophobicContact CZ-CG 4.49Å
95L68.3Low67.7Low0 Ų044.8 Ų44.80%024%0.235CC..Hα-helixtrans-61.1-42178-70.2168.6000112.6A14 D91 E92 V97 F98 R99 F161 I177A14-L95 HydrophobicContact CB-CB 4.31Å; D91-L95 WeakPolarHBondContact O-CG 3.2Å; D91-L95 PolarHBondContact O-N 2.77Å; E92-L95 PolarHBondContact O-N 3.32Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 2.8Å; L95-F98 PolarHBondContact O-N 3.1Å; L95-R99 WeakPolarHBondContact O-CB 3.31Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.26Å; L95-R99 WeakPolarHBondContact O-CG 3.25Å; L95-R99 PolarHBondContact O-N 3.26Å; L95-F161 HydrophobicContact CD1-CE2 3.78Å; L95-F161 HydrophobicContact CD1-CZ 3.38Å; L95-F161 HydrophobicContact CD2-CE2 3.71Å; L95-F161 HydrophobicContact CD2-CZ 3.65Å; L95-F161 HydrophobicContact CG-CE2 4.13Å; L95-F161 HydrophobicContact CG-CZ 4.06Å; L95-I177 HydrophobicContact CD2-CB 4.35Å; L95-I177 HydrophobicContact CD2-CG1 4.45Å; L95-I177 HydrophobicContact CD2-CG2 4.25Å; L95-I177 WeakPolarHBondContact CD2-O 3.5Å
96L71.2Confident67.4Low1 Ų143.3 Ų43.31%0.00522%0.217CC..Hα-helixtrans-57.6-47.1177.1-174.871.9000111.5A14 F17 W18 M80 A84 L88 E92 N93 F94 R100A14-L96 HydrophobicContact CB-CB 4.01Å; A14-L96 HydrophobicContact CB-CD1 4.33Å; F17-L96 HydrophobicContact CD1-CD1 3.86Å; F17-L96 HydrophobicContact CD1-CD2 3.54Å; F17-L96 HydrophobicContact CD1-CG 4.37Å; F17-L96 HydrophobicContact CE1-CD2 3.55Å; F17-L96 HydrophobicContact CG-CD2 4.5Å; F17-L96 HydrophobicContact CZ-CD2 4.5Å; W18-L96 HydrophobicContact CB-CD1 3.9Å; W18-L96 HydrophobicContact CD2-CD1 4.46Å; W18-L96 HydrophobicContact CE3-CD1 3.91Å; M80-L96 HydrophobicContact CE-CD2 3.8Å; M80-L96 HydrophobicContact CE-CG 3.95Å; M80-L96 HydrophobicContact CG-CD2 4.08Å; M80-L96 HydrophobicContact SD-CD2 3.97Å; M80-L96 HydrophobicContact SD-CG 4.28Å; A84-L96 HydrophobicContact CB-CD2 3.5Å; L88-L96 HydrophobicContact CD1-CB 4.24Å; L88-L96 HydrophobicContact CD1-CD2 3.97Å; E92-L96 WeakPolarHBondContact O-CB 3.25Å; E92-L96 PolarHBondContact O-N 3.31Å; N93-L96 WeakPolarHBondContact O-CB 3.39Å; N93-L96 PolarHBondContact O-N 3.22Å; F94-L96 VanDerWaalsContact C-N 3.34Å; F94-L96 PolarHBondContact O-N 2.85Å; L96-R100 WeakPolarHBondContact O-CB 3.12Å; L96-R100 PolarHBondContact O-N 2.86Å; L96-R100 VanDerWaalsContact O-N 3.12Å
97V69.3Low67.2Low26 Ų2641 Ų4116%0.15821%0.206CC..Hα-helixtrans-66.4-44.6177.7175.70000110.9K81 N93 F94 L95 R99 R100 E101K81-V97 HydrophobicContact CG-CG2 4.35Å; N93-V97 WeakPolarHBondContact O-CG2 2.91Å; N93-V97 PolarHBondContact O-N 2.73Å; N93-V97 VanDerWaalsContact O-N 3.11Å; F94-V97 PolarHBondContact O-N 3.02Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 2.8Å; V97-R99 PolarHBondContact O-N 3.4Å; V97-R100 PolarHBondContact O-N 3.5Å; V97-E101 WeakPolarHBondContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CG 3.36Å; V97-E101 PolarHBondContact O-N 3.1Å
98F69.2Low67.3Low6 Ų639.1 Ų39.13%0.02620%0.198CC..Hα-helixtrans-59.6-46179.7177.5-91.1000112.2F94 L95 E101 N102 L134 L137 F138 M157 I177 L178F94-F98 HydrophobicContact CE1-CB 4.49Å; F94-F98 WeakPolarHBondContact O-CB 3.49Å; F94-F98 PolarHBondContact O-N 2.93Å; L95-F98 PolarHBondContact O-N 3.1Å; F98-E101 PolarHBondContact O-N 2.74Å; F98-N102 PolarHBondContact O-N 2.79Å; F98-N102 PolarHBondContact O-ND2 2.91Å; F98-L134 HydrophobicContact CE2-CD2 3.87Å; F98-L134 HydrophobicContact CZ-CD2 3.77Å; F98-L137 HydrophobicContact CE1-CD2 4.42Å; F98-L137 HydrophobicContact CZ-CD2 3.72Å; F98-F138 HydrophobicContact CD2-CZ 4.29Å; F98-F138 HydrophobicContact CE2-CE1 4.26Å; F98-F138 HydrophobicContact CE2-CE2 4.4Å; F98-F138 AromaticContact CE2-CZ 3.63Å; F98-F138 HydrophobicContact CE2-CZ 3.63Å; F98-M157 HydrophobicContact CD1-CE 4.1Å; F98-M157 HydrophobicContact CD2-CE 3.6Å; F98-M157 HydrophobicContact CE1-CE 4.01Å; F98-M157 HydrophobicContact CE2-CE 3.46Å; F98-M157 VanDerWaalsContact CE2-CE 3.46Å; F98-M157 HydrophobicContact CG-CE 3.91Å; F98-M157 HydrophobicContact CZ-CE 3.69Å; F98-I177 HydrophobicContact CE1-CG2 4.28Å; F98-L178 HydrophobicContact CE1-CD2 3.78Å; F98-L178 HydrophobicContact CZ-CD2 4.21Å
99R71.3Confident67.4Low31 Ų3141.9 Ų41.912%0.11721%0.211CC..Hα-helixtrans-64.7-42.2178.3-69161-174.5-176.64.8112.2A14 A15 L95 V97 E101 N102 R176 I177 A179A14-R99 VanDerWaalsContact C-NH1 3.34Å; A15-R99 VanDerWaalsContact N-NH1 3.12Å; L95-R99 WeakPolarHBondContact O-CB 3.31Å; L95-R99 VanDerWaalsContact O-CD 3.27Å; L95-R99 WeakPolarHBondContact O-CD 3.26Å; L95-R99 WeakPolarHBondContact O-CG 3.25Å; L95-R99 PolarHBondContact O-N 3.26Å; V97-R99 PolarHBondContact O-N 3.4Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 3.04Å; R99-N102 CarbonylContact O-C 3.55Å; R99-N102 VanDerWaalsContact O-C 3.3Å; R99-N102 PolarHBondContact O-N 3.44Å; R99-R176 PolarHBondContact NH2-O 2.93Å; R99-I177 PolarHBondContact NE-O 3.5Å; R99-A179 HydrophobicContact CG-CB 3.94Å
100R68Low67.6Low100 Ų10040.1 Ų40.138%0.37720%0.198SC..Hα-helixtrans-63.3-38.7176.1-169.3-176.680.1171.811.3111.7W18 L96 V97W18-R100 HydrophobicContact CH2-CB 4.28Å; W18-R100 HydrophobicContact CH2-CG 3.68Å; W18-R100 HydrophobicContact CZ2-CG 4.45Å; W18-R100 HydrophobicContact CZ3-CB 4.4Å; W18-R100 HydrophobicContact CZ3-CG 4.09Å; L96-R100 WeakPolarHBondContact O-CB 3.12Å; L96-R100 PolarHBondContact O-N 2.86Å; L96-R100 VanDerWaalsContact O-N 3.12Å; V97-R100 PolarHBondContact O-N 3.5Å
101E63.9Low67.9Low71 Ų7132 Ų3233%0.33216%0.16SC..Hα-helixtrans-77.2-25-179.7-71.2-174.5-172.500112.3V97 F98 R99 K143V97-E101 WeakPolarHBondContact O-CB 3.31Å; V97-E101 WeakPolarHBondContact O-CG 3.36Å; V97-E101 PolarHBondContact O-N 3.1Å; F98-E101 PolarHBondContact O-N 2.74Å; R99-E101 VanDerWaalsContact C-N 3.28Å; R99-E101 PolarHBondContact O-N 3.04Å; E101-K143 PolarHBondContact O-NZ 2.92Å
102N62.6Low68.5Low2 Ų233 Ų331%0.01116%0.163CC..SBendtrans-141.373.7-174.5-45.5-82.3000110.2F98 R99 L104 F138F98-N102 PolarHBondContact O-N 2.79Å; F98-N102 PolarHBondContact O-ND2 2.91Å; R99-N102 CarbonylContact O-C 3.55Å; R99-N102 VanDerWaalsContact O-C 3.3Å; R99-N102 PolarHBondContact O-N 3.44Å; N102-L104 PolarHBondContact O-N 3.41Å; N102-F138 WeakPolarHBondContact ND2-CE1 3.49Å; N102-F138 WeakPolarHBondContact OD1-CD1 3.43Å; N102-F138 VanDerWaalsContact OD1-CE1 3.31Å; N102-F138 WeakPolarHBondContact OD1-CE1 3.1Å
103P60.3Low68.7Low65 Ų6532.7 Ų32.742%0.42216%0.162SC..  trans-67126.6176.327.5-32.8000109.6H141P103-H141 PolarHBondContact O-CE1 3.12Å; P103-H141 VanDerWaalsContact O-CE1 3.25Å
104L61.9Low69Low5 Ų531.1 Ų31.13%0.02615%0.153CC..  trans-104.6107.9166.4-77.8176.5000108.2N102 L137 L178N102-L104 PolarHBondContact O-N 3.41Å; L104-L137 HydrophobicContact CD1-CD1 3.72Å; L104-L137 HydrophobicContact CD2-CD1 3.62Å; L104-L137 HydrophobicContact CG-CD1 3.89Å; L104-L178 HydrophobicContact CD1-CB 4.05Å; L104-L178 HydrophobicContact CD1-CD1 3.63Å; L104-L178 HydrophobicContact CD1-CD2 3.64Å; L104-L178 HydrophobicContact CD1-CG 3.94Å
105D57.8Low69.3Low101 Ų10131.4 Ų31.454%0.5415%0.153SC..  trans-91.5-6.8-173.1-66.3-29.6000113
106S63.5Low69.9Low18 Ų1837.8 Ų37.813%0.12618%0.181CC..  trans-131.8129.8-176.7-175.20000113.5V108 E109 F110S106-V108 PolarHBondContact O-N 3.3Å; S106-V108 PolarHBondContact OG-N 2.61Å; S106-E109 PolarHBondContact O-N 2.68Å; S106-F110 PolarHBondContact O-N 2.88Å
107S67.4Low70.2Confident8 Ų838.9 Ų38.96%0.05619%0.185CC..Hα-helixtrans-63.8-25.617155.40000112.7F110 M111 Y209S107-F110 WeakPolarHBondContact O-CB 3.31Å; S107-M111 WeakPolarHBondContact O-CG 3.47Å; S107-M111 PolarHBondContact O-N 3.26Å; S107-Y209 WeakPolarHBondContact OG-CE1 3.49Å
108V69.6Low70.6Confident0 Ų037.7 Ų37.70%018%0.178CC..Hα-helixtrans-70.4-45.4176.1-179.20000111.1S106 F110 M111 Q112 Y209 V211 E221S106-V108 PolarHBondContact O-N 3.3Å; S106-V108 PolarHBondContact OG-N 2.61Å; V108-F110 VanDerWaalsContact C-N 3.28Å; V108-F110 PolarHBondContact O-N 3.34Å; V108-M111 PolarHBondContact O-N 2.93Å; V108-Q112 HydrophobicContact CG1-CG 4.46Å; V108-Q112 WeakPolarHBondContact O-CB 3.31Å; V108-Q112 VanDerWaalsContact O-CG 3.28Å; V108-Q112 WeakPolarHBondContact O-CG 3.43Å; V108-Q112 PolarHBondContact O-N 3.47Å; V108-Y209 HydrophobicContact CG2-CD1 3.73Å; V108-Y209 HydrophobicContact CG2-CE1 4.46Å; V108-V211 HydrophobicContact CB-CG2 4.03Å; V108-V211 HydrophobicContact CG1-CB 4.47Å; V108-V211 HydrophobicContact CG1-CG2 3.91Å; V108-V211 HydrophobicContact CG2-CG2 4.13Å; V108-E221 HydrophobicContact CG1-CG 3.97Å
109E73.5Confident70.5Confident69 Ų6941.4 Ų41.432%0.32221%0.21SC..Hα-helixtrans-61-41.3174.9-76.9-175.6177.300111S106 Q112 I113S106-E109 PolarHBondContact O-N 2.68Å; E109-Q112 WeakPolarHBondContact O-CB 3.49Å; E109-Q112 PolarHBondContact O-N 2.98Å; E109-I113 VanDerWaalsContact O-CG1 3.32Å; E109-I113 WeakPolarHBondContact O-CG1 3.4Å; E109-I113 PolarHBondContact O-N 3.48Å; E109-I113 VanDerWaalsContact O-N 3.11Å
110F75.3Confident70.4Confident0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-58.2-50.2173170.6-110.7000112.3S106 S107 V108 Q112 I113 W114 L171 L174 A175 L178 L180 K227S106-F110 PolarHBondContact O-N 2.88Å; S107-F110 WeakPolarHBondContact O-CB 3.31Å; V108-F110 VanDerWaalsContact C-N 3.28Å; V108-F110 PolarHBondContact O-N 3.34Å; F110-Q112 VanDerWaalsContact C-N 3.33Å; F110-Q112 PolarHBondContact O-N 3.32Å; F110-I113 PolarHBondContact O-N 3.42Å; F110-W114 HydrophobicContact CZ-CE3 4.24Å; F110-W114 WeakPolarHBondContact O-CB 3.21Å; F110-W114 PolarHBondContact O-N 2.91Å; F110-L171 HydrophobicContact CE1-CD1 3.62Å; F110-L171 HydrophobicContact CE1-CG 4.42Å; F110-L171 HydrophobicContact CZ-CD1 3.79Å; F110-L174 HydrophobicContact CE2-CB 4.15Å; F110-L174 HydrophobicContact CE2-CD2 3.75Å; F110-L174 HydrophobicContact CE2-CG 3.87Å; F110-L174 HydrophobicContact CZ-CB 4.26Å; F110-L174 HydrophobicContact CZ-CD2 4.36Å; F110-L174 HydrophobicContact CZ-CG 4.46Å; F110-A175 HydrophobicContact CE1-CB 4.41Å; F110-A175 HydrophobicContact CZ-CB 4.17Å; F110-L178 HydrophobicContact CD2-CD1 3.22Å; F110-L178 HydrophobicContact CE2-CD1 3.33Å; F110-L178 HydrophobicContact CG-CD1 4.42Å; F110-L180 HydrophobicContact CB-CD1 3.85Å; F110-L180 HydrophobicContact CB-CD2 4.11Å; F110-L180 HydrophobicContact CB-CG 4.3Å; F110-L180 HydrophobicContact CD1-CD1 3.86Å; F110-L180 HydrophobicContact CD1-CD2 3.92Å; F110-L180 HydrophobicContact CD2-CD1 3.73Å; F110-L180 HydrophobicContact CE1-CD1 4.29Å; F110-L180 HydrophobicContact CE2-CD1 4.16Å; F110-L180 HydrophobicContact CG-CD1 3.53Å; F110-L180 HydrophobicContact CG-CD2 4.15Å; F110-L180 HydrophobicContact CG-CG 4.36Å; F110-L180 HydrophobicContact CZ-CD1 4.42Å; F110-K227 HydrophobicContact CD1-CD 4.37Å; F110-K227 HydrophobicContact CE1-CD 4.26Å
111M75.1Confident70.5Confident0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-68-31.6-179.3-70.9-49.3-6700112.8S107 V108 W114 R115 L171 P220 D223 K227 L242S107-M111 WeakPolarHBondContact O-CG 3.47Å; S107-M111 PolarHBondContact O-N 3.26Å; V108-M111 PolarHBondContact O-N 2.93Å; M111-W114 HydrophobicContact CE-CG 4.29Å; M111-W114 PolarHBondContact O-N 2.62Å; M111-W114 HydrophobicContact SD-CB 4.38Å; M111-R115 WeakPolarHBondContact O-CB 3.4Å; M111-R115 WeakPolarHBondContact O-CG 3.4Å; M111-R115 PolarHBondContact O-N 3.26Å; M111-L171 HydrophobicContact CE-CD1 4.31Å; M111-L171 HydrophobicContact SD-CD1 3.98Å; M111-P220 HydrophobicContact CB-CB 4.37Å; M111-D223 HydrophobicContact CB-CB 3.98Å; M111-D223 HydrophobicContact CE-CB 3.58Å; M111-D223 HydrophobicContact CG-CB 3.96Å; M111-K227 HydrophobicContact SD-CD 4.2Å; M111-L242 HydrophobicContact CE-CD1 3.81Å; M111-L242 HydrophobicContact CE-CD2 3.98Å; M111-L242 HydrophobicContact SD-CD1 4.46Å
112Q77.1Confident70.9Confident85 Ų8541.9 Ų41.940%0.39723%0.232SC..Hα-helixtrans-59.5-48.1172.1-78.8176.97.900111.5V108 E109 F110 K116 P220V108-Q112 HydrophobicContact CG1-CG 4.46Å; V108-Q112 WeakPolarHBondContact O-CB 3.31Å; V108-Q112 VanDerWaalsContact O-CG 3.28Å; V108-Q112 WeakPolarHBondContact O-CG 3.43Å; V108-Q112 PolarHBondContact O-N 3.47Å; E109-Q112 WeakPolarHBondContact O-CB 3.49Å; E109-Q112 PolarHBondContact O-N 2.98Å; F110-Q112 VanDerWaalsContact C-N 3.33Å; F110-Q112 PolarHBondContact O-N 3.32Å; Q112-K116 PolarHBondContact O-N 2.95Å; Q112-P220 HydrophobicContact CB-CB 4.28Å; Q112-P220 HydrophobicContact CG-CB 3.54Å; Q112-P220 HydrophobicContact CG-CG 3.47Å; Q112-P220 VanDerWaalsContact CG-CG 3.47Å
113I74.6Confident71.6Confident22 Ų2241.8 Ų41.811%0.11323%0.232CC..Hα-helixtrans-71.8-41.5179.3-54.5168.7000109.4E109 F110 R115 K116 Y117 F133 L137E109-I113 VanDerWaalsContact O-CG1 3.32Å; E109-I113 WeakPolarHBondContact O-CG1 3.4Å; E109-I113 PolarHBondContact O-N 3.48Å; E109-I113 VanDerWaalsContact O-N 3.11Å; F110-I113 PolarHBondContact O-N 3.42Å; I113-R115 PolarHBondContact O-N 3.16Å; I113-K116 WeakPolarHBondContact O-CB 3.38Å; I113-K116 PolarHBondContact O-N 3.3Å; I113-K116 VanDerWaalsContact O-N 3.14Å; I113-Y117 HydrophobicContact CG2-CD2 3.81Å; I113-Y117 HydrophobicContact CG2-CE2 3.73Å; I113-Y117 WeakPolarHBondContact O-CD2 3.49Å; I113-Y117 PolarHBondContact O-N 3.31Å; I113-F133 HydrophobicContact CB-CD2 4.24Å; I113-F133 HydrophobicContact CB-CE2 3.81Å; I113-F133 HydrophobicContact CG2-CD2 3.28Å; I113-F133 HydrophobicContact CG2-CE2 3.29Å; I113-F133 HydrophobicContact CG2-CG 4.25Å; I113-F133 HydrophobicContact CG2-CZ 4.29Å; I113-L137 HydrophobicContact CD1-CD1 4.14Å
114W77.6Confident72.6Confident3 Ų342 Ų421%0.01123%0.226CC..Hα-helixtrans-52.7-54.7174.7178.7-89000111.3F110 M111 K116 Y117 D118 I125 L171 L174F110-W114 HydrophobicContact CZ-CE3 4.24Å; F110-W114 WeakPolarHBondContact O-CB 3.21Å; F110-W114 PolarHBondContact O-N 2.91Å; M111-W114 HydrophobicContact CE-CG 4.29Å; M111-W114 PolarHBondContact O-N 2.62Å; M111-W114 HydrophobicContact SD-CB 4.38Å; W114-K116 PolarHBondContact O-N 3.32Å; W114-Y117 CarbonylContact O-C 3.59Å; W114-Y117 PolarHBondContact O-N 3Å; W114-D118 HydrophobicContact CD2-CB 4.47Å; W114-D118 HydrophobicContact CZ2-CB 4.25Å; W114-D118 PolarHBondContact NE1-OD2 3.39Å; W114-D118 WeakPolarHBondContact O-CB 3.44Å; W114-D118 PolarHBondContact O-N 3.17Å; W114-I125 HydrophobicContact CD2-CD1 3.98Å; W114-I125 HydrophobicContact CE3-CD1 3.35Å; W114-I125 HydrophobicContact CE3-CG1 4.13Å; W114-I125 HydrophobicContact CH2-CB 4.46Å; W114-I125 HydrophobicContact CH2-CD1 3.97Å; W114-I125 HydrophobicContact CH2-CG1 3.81Å; W114-I125 HydrophobicContact CZ2-CG1 4.32Å; W114-I125 HydrophobicContact CZ3-CB 4.39Å; W114-I125 HydrophobicContact CZ3-CD1 3.35Å; W114-I125 HydrophobicContact CZ3-CG1 3.72Å; W114-L171 HydrophobicContact CD2-CD1 3.44Å; W114-L171 VanDerWaalsContact CD2-CD1 3.44Å; W114-L171 HydrophobicContact CE3-CD1 3.66Å; W114-L171 HydrophobicContact CG-CD1 3.91Å; W114-L171 VanDerWaalsContact CH2-CA 3.5Å; W114-L171 HydrophobicContact CH2-CB 4.03Å; W114-L171 HydrophobicContact CH2-CD1 4.24Å; W114-L171 HydrophobicContact CZ2-CB 4.08Å; W114-L171 HydrophobicContact CZ2-CD1 4.02Å; W114-L171 HydrophobicContact CZ3-CB 4.4Å; W114-L171 HydrophobicContact CZ3-CD1 4.05Å; W114-L174 HydrophobicContact CE3-CB 4.33Å; W114-L174 HydrophobicContact CE3-CD2 3.61Å; W114-L174 HydrophobicContact CZ3-CB 3.9Å; W114-L174 HydrophobicContact CZ3-CD2 3.8Å
115R78.4Confident73.6Confident47 Ų4741.7 Ų41.718%0.17722%0.224CC..Hα-helixtrans-62.8-25.6-179.5-74.6-63.7-166.6-166.10.7114.2M111 I113 Y117 S121 D223 D243M111-R115 WeakPolarHBondContact O-CB 3.4Å; M111-R115 WeakPolarHBondContact O-CG 3.4Å; M111-R115 PolarHBondContact O-N 3.26Å; I113-R115 PolarHBondContact O-N 3.16Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; R115-S121 PolarHBondContact NH1-OG 3.06Å; R115-D223 WeakPolarHBondContact CG-OD2 3.48Å; R115-D223 IonicContact CZ-OD1 2.73Å; R115-D223 IonicContact CZ-OD2 3.53Å; R115-D223 IonicContact NE-OD1 3.51Å; R115-D223 IonicContact NE-OD2 2.74Å; R115-D223 PolarHBondContact NE-OD2 2.76Å; R115-D223 VanDerWaalsContact NH2-CG 3.33Å; R115-D223 IonicContact NH2-OD1 3.09Å; R115-D223 PolarHBondContact NH2-OD1 2.96Å; R115-D223 IonicContact NH2-OD2 2.68Å; R115-D223 PolarHBondContact NH2-OD2 3.2Å; R115-D243 IonicContact CZ-OD1 2.8Å; R115-D243 IonicContact NH1-OD1 3.59Å; R115-D243 PolarHBondContact NH1-OD1 3.3Å; R115-D243 IonicContact NH1-OD2 2.93Å; R115-D243 IonicContact NH2-OD1 3.55Å; R115-D243 PolarHBondContact NH2-OD1 3.01Å
116K80.6Confident74.8Confident133 Ų13338.8 Ų38.858%0.57821%0.212SC*.Hα-helixtrans-68.9-32.5174.1-170.7-179.4179.9-1750111.8Q112 I113 W114 D136Q112-K116 PolarHBondContact O-N 2.95Å; I113-K116 WeakPolarHBondContact O-CB 3.38Å; I113-K116 PolarHBondContact O-N 3.3Å; I113-K116 VanDerWaalsContact O-N 3.14Å; W114-K116 PolarHBondContact O-N 3.32Å; K116-D136 WeakPolarHBondContact CE-OD2 3.49Å; K116-D136 IonicContact NZ-OD2 3.25Å; K116-D136 PolarHBondContact NZ-OD2 3.27Å
117Y77.6Confident75.7Confident24 Ų2439.9 Ų39.99%0.09422%0.222CC..Hα-helixtrans-98.9-34.2-176.1-73.2-67.7000113.4I113 W114 R115 A119 E129 N132 F133 D136I113-Y117 HydrophobicContact CG2-CD2 3.81Å; I113-Y117 HydrophobicContact CG2-CE2 3.73Å; I113-Y117 WeakPolarHBondContact O-CD2 3.49Å; I113-Y117 PolarHBondContact O-N 3.31Å; W114-Y117 CarbonylContact O-C 3.59Å; W114-Y117 PolarHBondContact O-N 3Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; Y117-A119 PolarHBondContact O-N 3.29Å; Y117-E129 HydrophobicContact CD1-CB 4.27Å; Y117-N132 HydrophobicContact CD1-CB 4.14Å; Y117-N132 HydrophobicContact CE1-CB 3.24Å; Y117-N132 VanDerWaalsContact CZ-C 3.43Å; Y117-N132 VanDerWaalsContact OH-C 3.23Å; Y117-N132 PolarHBondContact OH-O 3.43Å; Y117-F133 HydrophobicContact CD2-CB 3.84Å; Y117-F133 AromaticContact CD2-CD2 3.97Å; Y117-F133 HydrophobicContact CD2-CD2 3.97Å; Y117-F133 HydrophobicContact CD2-CG 4.42Å; Y117-F133 VanDerWaalsContact CE2-CA 3.43Å; Y117-F133 HydrophobicContact CE2-CB 4Å; Y117-F133 HydrophobicContact CE2-CD2 4.44Å; Y117-F133 HydrophobicContact CG-CB 4.26Å; Y117-D136 HydrophobicContact CE2-CB 4.34Å; Y117-D136 PolarHBondContact OH-OD1 3.08Å; Y117-D136 PolarHBondContact OH-OD2 3.2Å
118D76.8Confident76.3Confident1 Ų142.1 Ų42.11%0.00524%0.241CC..  trans-89.954.8168.3-175.132.6000109.9W114 D120 S121 S122 G123W114-D118 HydrophobicContact CD2-CB 4.47Å; W114-D118 HydrophobicContact CZ2-CB 4.25Å; W114-D118 PolarHBondContact NE1-OD2 3.39Å; W114-D118 WeakPolarHBondContact O-CB 3.44Å; W114-D118 PolarHBondContact O-N 3.17Å; D118-D120 PolarHBondContact O-N 2.99Å; D118-S121 PolarHBondContact O-N 2.83Å; D118-S121 VanDerWaalsContact O-N 3.16Å; D118-S121 WeakPolarHBondContact OD1-CA 3.44Å; D118-S122 PolarHBondContact OD1-N 3.38Å; D118-S122 PolarHBondContact OD1-OG 2.85Å; D118-S122 VanDerWaalsContact OD1-OG 3.11Å; D118-G123 PolarHBondContact OD1-N 3.12Å; D118-G123 PolarHBondContact OD2-N 3.28Å
119A66.9Low77Confident85 Ų8545 Ų4570%0.70226%0.255SS*.THydrogen-bonded Turntrans-68.7-21.4-175.200000112.8Y117Y117-A119 PolarHBondContact O-N 3.29Å
120D70.4Confident77.4Confident118 Ų11841.7 Ų41.763%0.63124%0.239SC*.THydrogen-bonded Turntrans-91.72176.168.4-13.6000113.2D118 S122D118-D120 PolarHBondContact O-N 2.99Å; D120-S122 PolarHBondContact O-N 3.43Å; D120-S122 WeakPolarHBondContact OD1-CB 3.33Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 VanDerWaalsContact OD1-N 3.11Å; D120-S122 PolarHBondContact OD1-OG 3.44Å
121S69.6Low77.8Confident57 Ų5745.9 Ų45.940%0.39926%0.255SS..  trans51.834.8-175.1-70.50000111.7R115 D118 G123 D243R115-S121 PolarHBondContact NH1-OG 3.06Å; D118-S121 PolarHBondContact O-N 2.83Å; D118-S121 VanDerWaalsContact O-N 3.16Å; D118-S121 WeakPolarHBondContact OD1-CA 3.44Å; S121-G123 PolarHBondContact O-N 3.47Å; S121-D243 WeakPolarHBondContact CB-OD2 3.11Å
122S73.1Confident78.1Confident36 Ų3647.8 Ų47.825%0.25227%0.265SS..  trans-67.8-22.9174.766.80000111.3D118 D120 F124D118-S122 PolarHBondContact OD1-N 3.38Å; D118-S122 PolarHBondContact OD1-OG 2.85Å; D118-S122 VanDerWaalsContact OD1-OG 3.11Å; D120-S122 PolarHBondContact O-N 3.43Å; D120-S122 WeakPolarHBondContact OD1-CB 3.33Å; D120-S122 PolarHBondContact OD1-N 2.88Å; D120-S122 VanDerWaalsContact OD1-N 3.11Å; D120-S122 PolarHBondContact OD1-OG 3.44Å; S122-F124 VanDerWaalsContact C-N 3.29Å; S122-F124 WeakPolarHBondContact O-CD2 3.33Å; S122-F124 WeakPolarHBondContact O-CE2 3.27Å; S122-F124 PolarHBondContact OG-N 3.47Å; S122-F124 PolarHBondContact OG-O 3.36Å
123G75.9Confident78.3Confident1 Ų143.8 Ų43.81%0.0125%0.246CC..SBendtrans79.214.6-176.400000112.9D118 S121D118-G123 PolarHBondContact OD1-N 3.12Å; D118-G123 PolarHBondContact OD2-N 3.28Å; S121-G123 PolarHBondContact O-N 3.47Å
124F82.1Confident78.5Confident68 Ų6842.7 Ų42.730%0.29824%0.241SC..EExtended strand (participates in β ladder)trans-138.3149.2-178.9-59.6-79.9000111.4S122 R168 L169 D170S122-F124 VanDerWaalsContact C-N 3.29Å; S122-F124 WeakPolarHBondContact O-CD2 3.33Å; S122-F124 WeakPolarHBondContact O-CE2 3.27Å; S122-F124 PolarHBondContact OG-N 3.47Å; S122-F124 PolarHBondContact OG-O 3.36Å; F124-R168 HydrophobicContact CB-CB 4.15Å; F124-R168 HydrophobicContact CD1-CB 4.3Å; F124-R168 HydrophobicContact CG-CB 4.49Å; F124-L169 CarbonylContact C-O 3.3Å; F124-L169 WeakPolarHBondContact CA-O 3.49Å; F124-D170 HydrophobicContact CD1-CB 4.25Å; F124-D170 HydrophobicContact CE1-CB 4.25Å
125I82.6Confident78.7Confident0 Ų047.8 Ų47.80%026%0.26CS..EExtended strand (participates in β ladder)trans-118.2121.2174.1-73.1-176000109.1W114 E129 L130 R168 L169 L174W114-I125 HydrophobicContact CD2-CD1 3.98Å; W114-I125 HydrophobicContact CE3-CD1 3.35Å; W114-I125 HydrophobicContact CE3-CG1 4.13Å; W114-I125 HydrophobicContact CH2-CB 4.46Å; W114-I125 HydrophobicContact CH2-CD1 3.97Å; W114-I125 HydrophobicContact CH2-CG1 3.81Å; W114-I125 HydrophobicContact CZ2-CG1 4.32Å; W114-I125 HydrophobicContact CZ3-CB 4.39Å; W114-I125 HydrophobicContact CZ3-CD1 3.35Å; W114-I125 HydrophobicContact CZ3-CG1 3.72Å; I125-E129 HydrophobicContact CG2-CB 3.69Å; I125-L130 HydrophobicContact CG2-CB 4.08Å; I125-R168 CarbonylContact O-C 3.59Å; I125-R168 WeakPolarHBondContact O-CA 3.42Å; I125-L169 PolarHBondContact N-O 3.45Å; I125-L169 PolarHBondContact O-N 3.39Å; I125-L174 HydrophobicContact CD1-CD2 3.9Å
126S83.8Confident78.7Confident39 Ų3947.2 Ų47.227%0.27326%0.26SS..EExtended strand (participates in β ladder)trans-72.7165.6175.169.20000112.1A128 E129 L130S126-A128 PolarHBondContact O-N 2.88Å; S126-E129 VanDerWaalsContact CB-OE2 3.23Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.41Å; S126-E129 PolarHBondContact O-N 3.44Å; S126-E129 VanDerWaalsContact O-N 3.09Å; S126-E129 PolarHBondContact OG-N 3.23Å; S126-E129 PolarHBondContact OG-OE2 3.22Å; S126-L130 PolarHBondContact O-N 3.03Å
127A81.1Confident78.4Confident41 Ų4140.9 Ų40.934%0.33923%0.233SC..Hα-helixtrans-56.3-36.2175.700000114.2R131 T154 M158 G167A127-R131 PolarHBondContact O-N 3.44Å; A127-R131 VanDerWaalsContact O-N 3.15Å; A127-T154 WeakPolarHBondContact O-CG2 3.47Å; A127-M158 HydrophobicContact CB-CE 3.57Å; A127-G167 PolarHBondContact N-O 3Å
128A81.1Confident78.3Confident56 Ų5640 Ų4046%0.46323%0.229SC..Hα-helixtrans-69.4-37.2178.400000111.7S126 N132S126-A128 PolarHBondContact O-N 2.88Å; A128-N132 PolarHBondContact O-N 3.37Å; A128-N132 PolarHBondContact O-ND2 2.86Å
129E83.2Confident78.2Confident60 Ų6046.1 Ų46.128%0.2826%0.262SS..Hα-helixtrans-72.6-40.4176.1-73.1152.6167.500111.3Y117 I125 S126 R131 N132 F133Y117-E129 HydrophobicContact CD1-CB 4.27Å; I125-E129 HydrophobicContact CG2-CB 3.69Å; S126-E129 VanDerWaalsContact CB-OE2 3.23Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.41Å; S126-E129 PolarHBondContact O-N 3.44Å; S126-E129 VanDerWaalsContact O-N 3.09Å; S126-E129 PolarHBondContact OG-N 3.23Å; S126-E129 PolarHBondContact OG-OE2 3.22Å; E129-R131 VanDerWaalsContact C-N 3.27Å; E129-R131 PolarHBondContact O-N 3.19Å; E129-N132 CarbonylContact O-C 3.54Å; E129-N132 PolarHBondContact O-N 2.73Å; E129-N132 VanDerWaalsContact O-N 3.1Å; E129-F133 WeakPolarHBondContact O-CB 3.22Å; E129-F133 PolarHBondContact O-N 2.94Å
130L82.4Confident78.2Confident0 Ų047.8 Ų47.80%026%0.255CS..Hα-helixtrans-56.9-41.6173.8-18063.5000111.7I125 S126 N132 F133 L134 T154 M157 M158 L169 L174I125-L130 HydrophobicContact CG2-CB 4.08Å; S126-L130 PolarHBondContact O-N 3.03Å; L130-N132 PolarHBondContact O-N 3.4Å; L130-F133 HydrophobicContact CD1-CD1 4.23Å; L130-F133 WeakPolarHBondContact O-CB 3.42Å; L130-F133 PolarHBondContact O-N 3.1Å; L130-L134 HydrophobicContact CD1-CG 4.39Å; L130-L134 HydrophobicContact CG-CD1 4.42Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 2.89Å; L130-T154 HydrophobicContact CB-CG2 4.18Å; L130-T154 HydrophobicContact CD2-CG2 3.92Å; L130-T154 HydrophobicContact CG-CG2 4.1Å; L130-M157 HydrophobicContact CD2-CB 3.95Å; L130-M158 HydrophobicContact CB-CE 4.41Å; L130-M158 HydrophobicContact CD2-CE 3.86Å; L130-L169 HydrophobicContact CD1-CD1 4.14Å; L130-L169 HydrophobicContact CD2-CD1 3.59Å; L130-L169 HydrophobicContact CG-CD1 4.37Å; L130-L174 HydrophobicContact CD1-CD1 3.64Å
131R83.3Confident78Confident88 Ų8845 Ų4533%0.33224%0.238SC..Hα-helixtrans-60.1-47.2176.2-175.6-176.161.9173.2-4.3111.4A127 E129 F133 L134 R135 E147 L150 T154A127-R131 PolarHBondContact O-N 3.44Å; A127-R131 VanDerWaalsContact O-N 3.15Å; E129-R131 VanDerWaalsContact C-N 3.27Å; E129-R131 PolarHBondContact O-N 3.19Å; R131-F133 VanDerWaalsContact C-N 3.35Å; R131-L134 PolarHBondContact O-N 3.05Å; R131-R135 PolarHBondContact O-N 3.09Å; R131-E147 IonicContact CZ-OE1 2.67Å; R131-E147 IonicContact NE-OE1 2.62Å; R131-E147 IonicContact NH1-OE1 3.22Å; R131-L150 HydrophobicContact CG-CD2 3.51Å; R131-L150 HydrophobicContact CG-CG 3.85Å; R131-T154 WeakPolarHBondContact CA-OG1 3.45Å; R131-T154 HydrophobicContact CB-CG2 4.07Å
132N82.2Confident77.7Confident40 Ų4053.5 Ų53.521%0.21426%0.261CS..Hα-helixtrans-67.1-38.7178.6-66.7-40.4000111.3Y117 A128 E129 L130 R135 D136Y117-N132 HydrophobicContact CD1-CB 4.14Å; Y117-N132 HydrophobicContact CE1-CB 3.24Å; Y117-N132 VanDerWaalsContact CZ-C 3.43Å; Y117-N132 VanDerWaalsContact OH-C 3.23Å; Y117-N132 PolarHBondContact OH-O 3.43Å; A128-N132 PolarHBondContact O-N 3.37Å; A128-N132 PolarHBondContact O-ND2 2.86Å; E129-N132 CarbonylContact O-C 3.54Å; E129-N132 PolarHBondContact O-N 2.73Å; E129-N132 VanDerWaalsContact O-N 3.1Å; L130-N132 PolarHBondContact O-N 3.4Å; N132-R135 WeakPolarHBondContact O-CB 3.27Å; N132-R135 PolarHBondContact O-N 3.14Å; N132-R135 PolarHBondContact OD1-NH2 3.13Å; N132-D136 PolarHBondContact O-N 2.67Å
133F80.6Confident77.4Confident0 Ų055.8 Ų55.80%027%0.266CS..Hα-helixtrans-54-53.2172.9170.7-83.4000110.9I113 Y117 E129 L130 R131 R135 D136 L137 L174 L178I113-F133 HydrophobicContact CB-CD2 4.24Å; I113-F133 HydrophobicContact CB-CE2 3.81Å; I113-F133 HydrophobicContact CG2-CD2 3.28Å; I113-F133 HydrophobicContact CG2-CE2 3.29Å; I113-F133 HydrophobicContact CG2-CG 4.25Å; I113-F133 HydrophobicContact CG2-CZ 4.29Å; Y117-F133 HydrophobicContact CD2-CB 3.84Å; Y117-F133 AromaticContact CD2-CD2 3.97Å; Y117-F133 HydrophobicContact CD2-CD2 3.97Å; Y117-F133 HydrophobicContact CD2-CG 4.42Å; Y117-F133 VanDerWaalsContact CE2-CA 3.43Å; Y117-F133 HydrophobicContact CE2-CB 4Å; Y117-F133 HydrophobicContact CE2-CD2 4.44Å; Y117-F133 HydrophobicContact CG-CB 4.26Å; E129-F133 WeakPolarHBondContact O-CB 3.22Å; E129-F133 PolarHBondContact O-N 2.94Å; L130-F133 HydrophobicContact CD1-CD1 4.23Å; L130-F133 WeakPolarHBondContact O-CB 3.42Å; L130-F133 PolarHBondContact O-N 3.1Å; R131-F133 VanDerWaalsContact C-N 3.35Å; F133-R135 VanDerWaalsContact C-N 3.29Å; F133-R135 PolarHBondContact O-N 3.02Å; F133-D136 PolarHBondContact O-N 2.96Å; F133-L137 HydrophobicContact CE1-CD2 4.04Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.24Å; F133-L137 PolarHBondContact O-N 2.71Å; F133-L174 HydrophobicContact CD1-CD1 4.34Å; F133-L174 HydrophobicContact CD2-CD2 3.96Å; F133-L174 HydrophobicContact CE1-CD1 4.17Å; F133-L174 HydrophobicContact CE1-CD2 4.27Å; F133-L174 HydrophobicContact CE2-CD2 3.7Å; F133-L174 HydrophobicContact CG-CD2 4.42Å; F133-L174 HydrophobicContact CZ-CD2 3.91Å; F133-L174 HydrophobicContact CZ-CG 4.41Å; F133-L178 HydrophobicContact CE1-CD1 4.17Å; F133-L178 HydrophobicContact CE1-CD2 3.99Å; F133-L178 HydrophobicContact CZ-CD1 3.58Å; F133-L178 HydrophobicContact CZ-CD2 4.13Å; F133-L178 HydrophobicContact CZ-CG 4.4Å
134L79.3Confident76.8Confident0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-60.6-41.3178.2-71.4176.7000111F98 L130 R131 D136 L137 F138 L150 M157F98-L134 HydrophobicContact CE2-CD2 3.87Å; F98-L134 HydrophobicContact CZ-CD2 3.77Å; L130-L134 HydrophobicContact CD1-CG 4.39Å; L130-L134 HydrophobicContact CG-CD1 4.42Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 2.89Å; R131-L134 PolarHBondContact O-N 3.05Å; L134-D136 PolarHBondContact O-N 3.11Å; L134-L137 HydrophobicContact CD2-CD2 4.46Å; L134-L137 WeakPolarHBondContact O-CB 3.39Å; L134-L137 PolarHBondContact O-N 3.49Å; L134-F138 HydrophobicContact CB-CD2 4.33Å; L134-F138 HydrophobicContact CB-CE2 4.06Å; L134-F138 HydrophobicContact CD2-CE2 4.45Å; L134-F138 WeakPolarHBondContact O-CD2 3.41Å; L134-F138 WeakPolarHBondContact O-CG 3.38Å; L134-F138 PolarHBondContact O-N 2.99Å; L134-L150 HydrophobicContact CB-CD1 3.42Å; L134-L150 VanDerWaalsContact CB-CD1 3.42Å; L134-L150 HydrophobicContact CD1-CD1 4.46Å; L134-M157 HydrophobicContact CD1-CE 4.37Å; L134-M157 HydrophobicContact CD1-SD 3.81Å; L134-M157 HydrophobicContact CD2-CE 3.82Å; L134-M157 HydrophobicContact CD2-SD 3.86Å; L134-M157 HydrophobicContact CG-SD 4.32Å
135R82.1Confident76.3Confident110 Ų11060.2 Ų60.242%0.41531%0.308SS..Hα-helixtrans-60-47.8178-176.2179.463.4-156.5-10.1111.6R131 N132 F133 F138 L139 L150R131-R135 PolarHBondContact O-N 3.09Å; N132-R135 WeakPolarHBondContact O-CB 3.27Å; N132-R135 PolarHBondContact O-N 3.14Å; N132-R135 PolarHBondContact OD1-NH2 3.13Å; F133-R135 VanDerWaalsContact C-N 3.29Å; F133-R135 PolarHBondContact O-N 3.02Å; R135-F138 PolarHBondContact O-N 3.23Å; R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 PolarHBondContact O-N 3.17Å; R135-L150 HydrophobicContact CB-CD1 4.39Å; R135-L150 HydrophobicContact CB-CD2 3.89Å
136D77.9Confident76.2Confident34 Ų3463.4 Ų63.418%0.18233%0.33CS..Hα-helixtrans-67.6-38.4179.9-82.812.4000111.7K116 Y117 N132 F133 L134 L139 H140K116-D136 WeakPolarHBondContact CE-OD2 3.49Å; K116-D136 IonicContact NZ-OD2 3.25Å; K116-D136 PolarHBondContact NZ-OD2 3.27Å; Y117-D136 HydrophobicContact CE2-CB 4.34Å; Y117-D136 PolarHBondContact OH-OD1 3.08Å; Y117-D136 PolarHBondContact OH-OD2 3.2Å; N132-D136 PolarHBondContact O-N 2.67Å; F133-D136 PolarHBondContact O-N 2.96Å; L134-D136 PolarHBondContact O-N 3.11Å; D136-L139 WeakPolarHBondContact O-CB 3.23Å; D136-L139 PolarHBondContact O-N 3.31Å; D136-H140 WeakPolarHBondContact O-CB 3.24Å; D136-H140 PolarHBondContact O-N 2.8Å
137L75.2Confident76.1Confident1 Ų165.9 Ų65.91%0.00534%0.337CS..Hα-helixtrans-57.9-51.4173.4-177.670.1000110.8F98 L104 I113 F133 L134 L139 H140 H141 L178F98-L137 HydrophobicContact CE1-CD2 4.42Å; F98-L137 HydrophobicContact CZ-CD2 3.72Å; L104-L137 HydrophobicContact CD1-CD1 3.72Å; L104-L137 HydrophobicContact CD2-CD1 3.62Å; L104-L137 HydrophobicContact CG-CD1 3.89Å; I113-L137 HydrophobicContact CD1-CD1 4.14Å; F133-L137 HydrophobicContact CE1-CD2 4.04Å; F133-L137 VanDerWaalsContact O-CB 3.31Å; F133-L137 WeakPolarHBondContact O-CB 3.24Å; F133-L137 PolarHBondContact O-N 2.71Å; L134-L137 HydrophobicContact CD2-CD2 4.46Å; L134-L137 WeakPolarHBondContact O-CB 3.39Å; L134-L137 PolarHBondContact O-N 3.49Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.83Å; L137-H140 WeakPolarHBondContact O-CB 3.49Å; L137-H140 PolarHBondContact O-N 3.42Å; L137-H141 PolarHBondContact O-CD2 2.87Å; L137-H141 PolarHBondContact O-N 3.31Å; L137-H141 VanDerWaalsContact O-N 3.14Å; L137-L178 HydrophobicContact CD2-CD2 3.86Å
138F74.8Confident76Confident4 Ų467.2 Ų67.22%0.01835%0.348CS..Hα-helixtrans-64.1-37.3177.9-70.4-58.5000112.6F98 N102 L134 R135 H140 H141 R142 K143 I145 L150 Y153F98-F138 HydrophobicContact CD2-CZ 4.29Å; F98-F138 HydrophobicContact CE2-CE1 4.26Å; F98-F138 HydrophobicContact CE2-CE2 4.4Å; F98-F138 AromaticContact CE2-CZ 3.63Å; F98-F138 HydrophobicContact CE2-CZ 3.63Å; N102-F138 WeakPolarHBondContact ND2-CE1 3.49Å; N102-F138 WeakPolarHBondContact OD1-CD1 3.43Å; N102-F138 VanDerWaalsContact OD1-CE1 3.31Å; N102-F138 WeakPolarHBondContact OD1-CE1 3.1Å; L134-F138 HydrophobicContact CB-CD2 4.33Å; L134-F138 HydrophobicContact CB-CE2 4.06Å; L134-F138 HydrophobicContact CD2-CE2 4.45Å; L134-F138 WeakPolarHBondContact O-CD2 3.41Å; L134-F138 WeakPolarHBondContact O-CG 3.38Å; L134-F138 PolarHBondContact O-N 2.99Å; R135-F138 PolarHBondContact O-N 3.23Å; F138-H140 VanDerWaalsContact C-N 3.31Å; F138-H140 PolarHBondContact O-N 3.06Å; F138-H141 CarbonylContact O-C 3.6Å; F138-H141 PolarHBondContact O-N 3.42Å; F138-R142 PolarHBondContact O-N 3.34Å; F138-K143 CarbonylContact C-O 3.54Å; F138-K143 HydrophobicContact CB-CB 4.5Å; F138-K143 HydrophobicContact CD1-CB 4.46Å; F138-K143 PolarHBondContact O-N 3.05Å; F138-K143 VanDerWaalsContact O-O 3.14Å; F138-I145 HydrophobicContact CB-CD1 4.35Å; F138-I145 HydrophobicContact CB-CG1 4.13Å; F138-I145 HydrophobicContact CD1-CD1 3.25Å; F138-I145 HydrophobicContact CD1-CG1 3.91Å; F138-I145 HydrophobicContact CD2-CB 4.3Å; F138-I145 HydrophobicContact CD2-CD1 3.61Å; F138-I145 HydrophobicContact CD2-CG1 4.05Å; F138-I145 HydrophobicContact CE1-CD1 3.17Å; F138-I145 HydrophobicContact CE1-CG1 4.3Å; F138-I145 HydrophobicContact CE2-CD1 3.6Å; F138-I145 HydrophobicContact CE2-CG1 4.49Å; F138-I145 HydrophobicContact CG-CB 4.42Å; F138-I145 HydrophobicContact CG-CD1 3.48Å; F138-I145 VanDerWaalsContact CG-CD1 3.48Å; F138-I145 HydrophobicContact CG-CG1 3.77Å; F138-I145 HydrophobicContact CZ-CD1 3.37Å; F138-L150 HydrophobicContact CD2-CD1 4.04Å; F138-L150 HydrophobicContact CE2-CD1 4.12Å; F138-Y153 HydrophobicContact CE2-CD2 4.05Å; F138-Y153 HydrophobicContact CE2-CE2 4.42Å; F138-Y153 AromaticContact CZ-CD2 3.94Å; F138-Y153 HydrophobicContact CZ-CD2 3.94Å; F138-Y153 AromaticContact CZ-CE2 3.99Å; F138-Y153 HydrophobicContact CZ-CE2 3.99Å
139L74.1Confident75.8Confident130 Ų13069.6 Ų69.668%0.68135%0.348SS*.Hα-helixtrans-62.3-40.7174.8-159.1101.5000111.3R135 D136 L137 H141 R142R135-L139 WeakPolarHBondContact O-CB 3.45Å; R135-L139 PolarHBondContact O-N 3.17Å; D136-L139 WeakPolarHBondContact O-CB 3.23Å; D136-L139 PolarHBondContact O-N 3.31Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.83Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.26Å; L139-R142 PolarHBondContact O-N 3.49Å
140H68Low75.7Confident120 Ų12067 Ų6756%0.55634%0.336SS*.Hα-helixtrans-61.6-42.1177.6-150.379.6000111.4D136 L137 F138 R142D136-H140 WeakPolarHBondContact O-CB 3.24Å; D136-H140 PolarHBondContact O-N 2.8Å; L137-H140 WeakPolarHBondContact O-CB 3.49Å; L137-H140 PolarHBondContact O-N 3.42Å; F138-H140 VanDerWaalsContact C-N 3.31Å; F138-H140 PolarHBondContact O-N 3.06Å; H140-R142 PolarHBondContact O-N 3.09Å
141H65.3Low75.7Confident59 Ų5973 Ų7327%0.27336%0.364SS..THydrogen-bonded Turntrans-78.710.2174.1-66.2-71000114.3P103 L137 F138 L139 K143P103-H141 PolarHBondContact O-CE1 3.12Å; P103-H141 VanDerWaalsContact O-CE1 3.25Å; L137-H141 PolarHBondContact O-CD2 2.87Å; L137-H141 PolarHBondContact O-N 3.31Å; L137-H141 VanDerWaalsContact O-N 3.14Å; F138-H141 CarbonylContact O-C 3.6Å; F138-H141 PolarHBondContact O-N 3.42Å; L139-H141 VanDerWaalsContact C-N 3.33Å; L139-H141 PolarHBondContact O-N 3.26Å; H141-K143 PolarHBondContact O-N 3.38Å; H141-K143 VanDerWaalsContact O-N 3.16Å
142R64.3Low75.6Confident236 Ų23674.7 Ų74.789%0.89138%0.376SS*.THydrogen-bonded Turntrans54.130.3-177.3-57.2-175.4178.4-175.20.3113.6F138 L139 H140F138-R142 PolarHBondContact O-N 3.34Å; L139-R142 PolarHBondContact O-N 3.49Å; H140-R142 PolarHBondContact O-N 3.09Å
143K66.1Low75.4Confident84 Ų8474.7 Ų74.737%0.36537%0.373SS..  trans-101119.3175.1-74.6-175.5174.9-178.70109.9E101 F138 H141 I145E101-K143 PolarHBondContact O-NZ 2.92Å; F138-K143 CarbonylContact C-O 3.54Å; F138-K143 HydrophobicContact CB-CB 4.5Å; F138-K143 HydrophobicContact CD1-CB 4.46Å; F138-K143 PolarHBondContact O-N 3.05Å; F138-K143 VanDerWaalsContact O-O 3.14Å; H141-K143 PolarHBondContact O-N 3.38Å; H141-K143 VanDerWaalsContact O-N 3.16Å; K143-I145 PolarHBondContact O-N 2.98Å
144A63.5Low75.5Confident109 Ų10975.3 Ų75.390%0.90138%0.377SS*.  trans-82.6114.7170.200000109.2
145I71.3Confident75.6Confident53 Ų5377.3 Ų77.327%0.27240%0.398SS..  trans-110.4140.8175.4-60.7-151000109.2F138 K143 K149 Y153F138-I145 HydrophobicContact CB-CD1 4.35Å; F138-I145 HydrophobicContact CB-CG1 4.13Å; F138-I145 HydrophobicContact CD1-CD1 3.25Å; F138-I145 HydrophobicContact CD1-CG1 3.91Å; F138-I145 HydrophobicContact CD2-CB 4.3Å; F138-I145 HydrophobicContact CD2-CD1 3.61Å; F138-I145 HydrophobicContact CD2-CG1 4.05Å; F138-I145 HydrophobicContact CE1-CD1 3.17Å; F138-I145 HydrophobicContact CE1-CG1 4.3Å; F138-I145 HydrophobicContact CE2-CD1 3.6Å; F138-I145 HydrophobicContact CE2-CG1 4.49Å; F138-I145 HydrophobicContact CG-CB 4.42Å; F138-I145 HydrophobicContact CG-CD1 3.48Å; F138-I145 VanDerWaalsContact CG-CD1 3.48Å; F138-I145 HydrophobicContact CG-CG1 3.77Å; F138-I145 HydrophobicContact CZ-CD1 3.37Å; K143-I145 PolarHBondContact O-N 2.98Å; I145-K149 HydrophobicContact CG2-CB 3.64Å; I145-K149 HydrophobicContact CG2-CD 4.46Å; I145-Y153 HydrophobicContact CD1-CE2 4.13Å
146S81.2Confident75.5Confident67 Ų6774.2 Ų74.247%0.46939%0.391SS..  trans-71.9147175.757.80000111.2A148 K149 L150S146-A148 PolarHBondContact O-N 3.1Å; S146-A148 VanDerWaalsContact O-N 3.15Å; S146-K149 PolarHBondContact O-N 3.14Å; S146-L150 PolarHBondContact O-N 3.32Å
147E80.7Confident75.6Confident91 Ų9172.6 Ų72.643%0.42538%0.382SS..Hα-helixtrans-55.1-36.2179.3-162.469.4-164.200112.2R131 K149 L150 E151R131-E147 IonicContact CZ-OE1 2.67Å; R131-E147 IonicContact NE-OE1 2.62Å; R131-E147 IonicContact NH1-OE1 3.22Å; E147-K149 PolarHBondContact O-N 3.28Å; E147-L150 WeakPolarHBondContact O-CB 3.39Å; E147-L150 PolarHBondContact O-N 2.9Å; E147-E151 WeakPolarHBondContact O-CB 3.36Å; E147-E151 PolarHBondContact O-N 3.45Å
148A79.1Confident75.8Confident69 Ų6973.5 Ų73.557%0.5739%0.387SS*.Hα-helixtrans-63.1-40.7177.200000113.2S146 E151 E152S146-A148 PolarHBondContact O-N 3.1Å; S146-A148 VanDerWaalsContact O-N 3.15Å; A148-E151 PolarHBondContact O-N 3.12Å; A148-E152 WeakPolarHBondContact O-CB 3.48Å; A148-E152 PolarHBondContact O-N 3.01Å
149K77.9Confident76.1Confident107 Ų10782.1 Ų82.147%0.46542%0.424SS..Hα-helixtrans-70.7-36.5175.5-79.2-173.2174.8-171.30111.4I145 S146 E147 E151 E152 Y153I145-K149 HydrophobicContact CG2-CB 3.64Å; I145-K149 HydrophobicContact CG2-CD 4.46Å; S146-K149 PolarHBondContact O-N 3.14Å; E147-K149 PolarHBondContact O-N 3.28Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 3.49Å; K149-E152 PolarHBondContact O-N 3.15Å; K149-Y153 HydrophobicContact CB-CE2 4.4Å; K149-Y153 WeakPolarHBondContact O-CB 3.38Å; K149-Y153 VanDerWaalsContact O-CD2 3.32Å; K149-Y153 WeakPolarHBondContact O-CD2 3.5Å; K149-Y153 PolarHBondContact O-N 3.31Å
150L81.3Confident76.1Confident6 Ų676.9 Ų76.93%0.03140%0.397CS..Hα-helixtrans-62.1-41.9176.3-167.972.7000111.2R131 L134 R135 F138 S146 E147 Y153 T154R131-L150 HydrophobicContact CG-CD2 3.51Å; R131-L150 HydrophobicContact CG-CG 3.85Å; L134-L150 HydrophobicContact CB-CD1 3.42Å; L134-L150 VanDerWaalsContact CB-CD1 3.42Å; L134-L150 HydrophobicContact CD1-CD1 4.46Å; R135-L150 HydrophobicContact CB-CD1 4.39Å; R135-L150 HydrophobicContact CB-CD2 3.89Å; F138-L150 HydrophobicContact CD2-CD1 4.04Å; F138-L150 HydrophobicContact CE2-CD1 4.12Å; S146-L150 PolarHBondContact O-N 3.32Å; E147-L150 WeakPolarHBondContact O-CB 3.39Å; E147-L150 PolarHBondContact O-N 2.9Å; L150-Y153 PolarHBondContact O-N 3.39Å; L150-T154 WeakPolarHBondContact O-CB 3.37Å; L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 3.2Å
151E81.5Confident76.4Confident126 Ų12671.2 Ų71.259%0.58937%0.37SS*.Hα-helixtrans-68.1-40.6176.1-170.1162-156.400112E147 A148 K149 T154 G155E147-E151 WeakPolarHBondContact O-CB 3.36Å; E147-E151 PolarHBondContact O-N 3.45Å; A148-E151 PolarHBondContact O-N 3.12Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 3.49Å; E151-T154 PolarHBondContact O-N 3.29Å; E151-G155 PolarHBondContact O-N 3.36Å
152E81.6Confident77.1Confident123 Ų12369.2 Ų69.258%0.57536%0.362SS*.Hα-helixtrans-59.7-46.2172.3-172.8-175.4165.400111.8A148 K149 T156A148-E152 WeakPolarHBondContact O-CB 3.48Å; A148-E152 PolarHBondContact O-N 3.01Å; K149-E152 PolarHBondContact O-N 3.15Å; E152-T156 VanDerWaalsContact O-CB 3.25Å; E152-T156 WeakPolarHBondContact O-CB 2.85Å; E152-T156 PolarHBondContact O-N 3.38Å; E152-T156 PolarHBondContact O-OG1 2.87Å
153Y77.3Confident77.3Confident40 Ų4067.2 Ų67.216%0.15735%0.354CS..Hα-helixtrans-65.6-45.6177.1-66.1-21.4000111.9F94 F138 I145 K149 L150 G155 T156 M157F94-Y153 AromaticContact CE2-CD1 3.29Å; F94-Y153 HydrophobicContact CE2-CD1 3.29Å; F94-Y153 AromaticContact CE2-CE1 3.53Å; F94-Y153 HydrophobicContact CE2-CE1 3.53Å; F94-Y153 HydrophobicContact CE2-CG 4.23Å; F94-Y153 AromaticContact CZ-CD1 3.45Å; F94-Y153 HydrophobicContact CZ-CD1 3.45Å; F94-Y153 VanDerWaalsContact CZ-CD1 3.45Å; F94-Y153 HydrophobicContact CZ-CE1 4.07Å; F94-Y153 AromaticContact CZ-CG 3.96Å; F94-Y153 HydrophobicContact CZ-CG 3.96Å; F138-Y153 HydrophobicContact CE2-CD2 4.05Å; F138-Y153 HydrophobicContact CE2-CE2 4.42Å; F138-Y153 AromaticContact CZ-CD2 3.94Å; F138-Y153 HydrophobicContact CZ-CD2 3.94Å; F138-Y153 AromaticContact CZ-CE2 3.99Å; F138-Y153 HydrophobicContact CZ-CE2 3.99Å; I145-Y153 HydrophobicContact CD1-CE2 4.13Å; K149-Y153 HydrophobicContact CB-CE2 4.4Å; K149-Y153 WeakPolarHBondContact O-CB 3.38Å; K149-Y153 VanDerWaalsContact O-CD2 3.32Å; K149-Y153 WeakPolarHBondContact O-CD2 3.5Å; K149-Y153 PolarHBondContact O-N 3.31Å; L150-Y153 PolarHBondContact O-N 3.39Å; Y153-G155 PolarHBondContact O-N 3.16Å; Y153-T156 PolarHBondContact O-N 3.28Å; Y153-M157 VanDerWaalsContact O-CB 3.3Å; Y153-M157 WeakPolarHBondContact O-CB 3.47Å; Y153-M157 WeakPolarHBondContact O-CG 3.39Å; Y153-M157 PolarHBondContact O-N 3.49Å
154T83Confident77.7Confident12 Ų1268.1 Ų68.17%0.07436%0.363CS..Hα-helixtrans-60.5-46.6177.5-54.60000110.8A127 L130 R131 L150 E151 M157 M158A127-T154 WeakPolarHBondContact O-CG2 3.47Å; L130-T154 HydrophobicContact CB-CG2 4.18Å; L130-T154 HydrophobicContact CD2-CG2 3.92Å; L130-T154 HydrophobicContact CG-CG2 4.1Å; R131-T154 WeakPolarHBondContact CA-OG1 3.45Å; R131-T154 HydrophobicContact CB-CG2 4.07Å; L150-T154 WeakPolarHBondContact O-CB 3.37Å; L150-T154 PolarHBondContact O-N 2.91Å; L150-T154 PolarHBondContact O-OG1 3.2Å; E151-T154 PolarHBondContact O-N 3.29Å; T154-M157 PolarHBondContact O-N 2.91Å; T154-M158 WeakPolarHBondContact O-CB 3.37Å; T154-M158 PolarHBondContact O-N 3.43Å
155G82.3Confident78.3Confident43 Ų4371.7 Ų71.744%0.44336%0.358SS..Hα-helixtrans-66.3-40.8-179.700000112.7E151 Y153 K159E151-G155 PolarHBondContact O-N 3.36Å; Y153-G155 PolarHBondContact O-N 3.16Å; G155-K159 VanDerWaalsContact O-CB 3.32Å; G155-K159 WeakPolarHBondContact O-CB 3.37Å; G155-K159 PolarHBondContact O-N 3.18Å
156T79.9Confident78.6Confident44 Ų4472.7 Ų72.727%0.2736%0.364SS..Hα-helixtrans-65.8-49176-57.40000110.5F94 E152 Y153 M158 K159 I160F94-T156 HydrophobicContact CD1-CG2 4.26Å; F94-T156 HydrophobicContact CD2-CG2 4.4Å; F94-T156 HydrophobicContact CG-CG2 4.19Å; E152-T156 VanDerWaalsContact O-CB 3.25Å; E152-T156 WeakPolarHBondContact O-CB 2.85Å; E152-T156 PolarHBondContact O-N 3.38Å; E152-T156 PolarHBondContact O-OG1 2.87Å; Y153-T156 PolarHBondContact O-N 3.28Å; T156-M158 PolarHBondContact O-N 2.86Å; T156-K159 PolarHBondContact O-N 3.14Å; T156-I160 HydrophobicContact CG2-CD1 3.56Å; T156-I160 HydrophobicContact CG2-CG1 4.46Å; T156-I160 WeakPolarHBondContact O-CD1 3.2Å; T156-I160 WeakPolarHBondContact O-CG1 3.36Å; T156-I160 PolarHBondContact O-N 3.48Å; T156-I160 VanDerWaalsContact O-N 3.08Å
157M78.7Confident78.5Confident0 Ų070.9 Ų70.90%036%0.356CS..Hα-helixtrans-59.6-45.6176.6-73.2178.1-178.200112F94 F98 L130 L134 Y153 T154 K159 I160 F161 I177F94-M157 HydrophobicContact CE1-CE 3.66Å; F94-M157 HydrophobicContact CE1-CG 3.8Å; F94-M157 HydrophobicContact CZ-CE 4Å; F94-M157 HydrophobicContact CZ-CG 4.49Å; F98-M157 HydrophobicContact CD1-CE 4.1Å; F98-M157 HydrophobicContact CD2-CE 3.6Å; F98-M157 HydrophobicContact CE1-CE 4.01Å; F98-M157 HydrophobicContact CE2-CE 3.46Å; F98-M157 VanDerWaalsContact CE2-CE 3.46Å; F98-M157 HydrophobicContact CG-CE 3.91Å; F98-M157 HydrophobicContact CZ-CE 3.69Å; L130-M157 HydrophobicContact CD2-CB 3.95Å; L134-M157 HydrophobicContact CD1-CE 4.37Å; L134-M157 HydrophobicContact CD1-SD 3.81Å; L134-M157 HydrophobicContact CD2-CE 3.82Å; L134-M157 HydrophobicContact CD2-SD 3.86Å; L134-M157 HydrophobicContact CG-SD 4.32Å; Y153-M157 VanDerWaalsContact O-CB 3.3Å; Y153-M157 WeakPolarHBondContact O-CB 3.47Å; Y153-M157 WeakPolarHBondContact O-CG 3.39Å; Y153-M157 PolarHBondContact O-N 3.49Å; T154-M157 PolarHBondContact O-N 2.91Å; M157-K159 PolarHBondContact O-N 3.17Å; M157-I160 PolarHBondContact O-N 3.02Å; M157-F161 WeakPolarHBondContact O-CB 3.39Å; M157-F161 VanDerWaalsContact O-CD2 3.3Å; M157-F161 WeakPolarHBondContact O-CD2 3.35Å; M157-F161 PolarHBondContact O-N 3.16Å; M157-I177 HydrophobicContact CB-CD1 4.11Å; M157-I177 HydrophobicContact CE-CG2 3.64Å; M157-I177 HydrophobicContact CG-CD1 4.31Å; M157-I177 HydrophobicContact CG-CG2 4.39Å; M157-I177 HydrophobicContact SD-CD1 4.27Å; M157-I177 HydrophobicContact SD-CG2 3.7Å
158M81.2Confident78.7Confident21 Ų2172.7 Ų72.710%0.10336%0.359CS..Hα-helixtrans-60.6-47.1177.4-163.463.159.300110.5A127 L130 T154 T156 I160 F161 D162 L169A127-M158 HydrophobicContact CB-CE 3.57Å; L130-M158 HydrophobicContact CB-CE 4.41Å; L130-M158 HydrophobicContact CD2-CE 3.86Å; T154-M158 WeakPolarHBondContact O-CB 3.37Å; T154-M158 PolarHBondContact O-N 3.43Å; T156-M158 PolarHBondContact O-N 2.86Å; M158-I160 PolarHBondContact O-N 3.2Å; M158-I160 VanDerWaalsContact O-N 3.16Å; M158-F161 PolarHBondContact O-N 3.24Å; M158-D162 HydrophobicContact CG-CB 3.98Å; M158-D162 WeakPolarHBondContact O-CA 3.43Å; M158-D162 WeakPolarHBondContact O-CB 3.37Å; M158-D162 PolarHBondContact O-N 2.88Å; M158-D162 HydrophobicContact SD-CB 3.66Å; M158-L169 HydrophobicContact CE-CD1 4.13Å; M158-L169 HydrophobicContact CE-CG 3.9Å; M158-L169 HydrophobicContact SD-CD1 4.47Å; M158-L169 HydrophobicContact SD-CD2 3.85Å; M158-L169 HydrophobicContact SD-CG 3.86Å
159K81Confident78.8Confident185 Ų18569.4 Ų69.480%0.80433%0.332SS*.Hα-helixtrans-59.4-31.9179.3-172.3-179175.6-167.80113.8G155 T156 M157G155-K159 VanDerWaalsContact O-CB 3.32Å; G155-K159 WeakPolarHBondContact O-CB 3.37Å; G155-K159 PolarHBondContact O-N 3.18Å; T156-K159 PolarHBondContact O-N 3.14Å; M157-K159 PolarHBondContact O-N 3.17Å
160I73.8Confident78.9Confident20 Ų2066.3 Ų66.310%0.10332%0.32CS..Hα-helixtrans-84.5-41.7-176.8-64.3166.8000111.6D91 T156 M157 M158D91-I160 HydrophobicContact CB-CB 4.37Å; D91-I160 HydrophobicContact CB-CD1 3.56Å; D91-I160 HydrophobicContact CB-CG1 3.69Å; D91-I160 HydrophobicContact CB-CG2 3.74Å; D91-I160 VanDerWaalsContact CG-CG1 3.42Å; D91-I160 WeakPolarHBondContact OD1-CG1 3.4Å; T156-I160 HydrophobicContact CG2-CD1 3.56Å; T156-I160 HydrophobicContact CG2-CG1 4.46Å; T156-I160 WeakPolarHBondContact O-CD1 3.2Å; T156-I160 WeakPolarHBondContact O-CG1 3.36Å; T156-I160 PolarHBondContact O-N 3.48Å; T156-I160 VanDerWaalsContact O-N 3.08Å; M157-I160 PolarHBondContact O-N 3.02Å; M158-I160 PolarHBondContact O-N 3.2Å; M158-I160 VanDerWaalsContact O-N 3.16Å
161F73.9Confident78.7Confident0 Ų066 Ų660%032%0.319CS..Hα-helixtrans-99.7-31.2-168.1-72.8-94.9000113.4L95 M157 M158 R163 L169 D173 R176 I177L95-F161 HydrophobicContact CD1-CE2 3.78Å; L95-F161 HydrophobicContact CD1-CZ 3.38Å; L95-F161 HydrophobicContact CD2-CE2 3.71Å; L95-F161 HydrophobicContact CD2-CZ 3.65Å; L95-F161 HydrophobicContact CG-CE2 4.13Å; L95-F161 HydrophobicContact CG-CZ 4.06Å; M157-F161 WeakPolarHBondContact O-CB 3.39Å; M157-F161 VanDerWaalsContact O-CD2 3.3Å; M157-F161 WeakPolarHBondContact O-CD2 3.35Å; M157-F161 PolarHBondContact O-N 3.16Å; M158-F161 PolarHBondContact O-N 3.24Å; F161-R163 PolarHBondContact O-N 3.14Å; F161-L169 HydrophobicContact CB-CD2 3.57Å; F161-D173 HydrophobicContact CB-CB 4.08Å; F161-D173 HydrophobicContact CD1-CB 3.97Å; F161-D173 WeakPolarHBondContact CD1-O 3.26Å; F161-D173 WeakPolarHBondContact CE1-O 2.96Å; F161-D173 HydrophobicContact CG-CB 4.49Å; F161-R176 HydrophobicContact CE1-CB 3.83Å; F161-R176 HydrophobicContact CE1-CG 3.8Å; F161-R176 HydrophobicContact CZ-CG 4.45Å; F161-I177 HydrophobicContact CB-CD1 4.28Å; F161-I177 HydrophobicContact CD1-CD1 4.15Å; F161-I177 HydrophobicContact CD1-CG1 3.68Å; F161-I177 HydrophobicContact CD2-CD1 3.78Å; F161-I177 HydrophobicContact CD2-CG1 3.45Å; F161-I177 VanDerWaalsContact CD2-CG1 3.45Å; F161-I177 HydrophobicContact CE1-CB 4.41Å; F161-I177 HydrophobicContact CE1-CD1 4.46Å; F161-I177 HydrophobicContact CE1-CG1 3.51Å; F161-I177 HydrophobicContact CE2-CB 4.44Å; F161-I177 HydrophobicContact CE2-CD1 4.15Å; F161-I177 HydrophobicContact CE2-CG1 3.31Å; F161-I177 HydrophobicContact CG-CD1 3.8Å; F161-I177 HydrophobicContact CG-CG1 3.66Å; F161-I177 HydrophobicContact CZ-CB 4.16Å; F161-I177 HydrophobicContact CZ-CD1 4.46Å; F161-I177 HydrophobicContact CZ-CG1 3.32Å
162D79.4Confident78.3Confident17 Ų1761.6 Ų61.69%0.09130%0.299CS..  trans-74.670.9173.7-176.69.6000110.8M158 N164 K165 D166 G167 L169M158-D162 HydrophobicContact CG-CB 3.98Å; M158-D162 WeakPolarHBondContact O-CA 3.43Å; M158-D162 WeakPolarHBondContact O-CB 3.37Å; M158-D162 PolarHBondContact O-N 2.88Å; M158-D162 HydrophobicContact SD-CB 3.66Å; D162-N164 VanDerWaalsContact C-N 3.27Å; D162-N164 PolarHBondContact O-N 3.26Å; D162-N164 PolarHBondContact OD1-OD1 3.43Å; D162-K165 VanDerWaalsContact CG-CA 3.44Å; D162-K165 PolarHBondContact O-N 2.88Å; D162-K165 WeakPolarHBondContact OD1-CA 3.33Å; D162-K165 PolarHBondContact OD1-N 3.43Å; D162-K165 VanDerWaalsContact OD2-CA 3.31Å; D162-K165 WeakPolarHBondContact OD2-CA 3.32Å; D162-D166 PolarHBondContact OD1-N 2.8Å; D162-D166 PolarHBondContact OD2-N 3.27Å; D162-G167 WeakPolarHBondContact OD2-CA 3.5Å; D162-G167 PolarHBondContact OD2-N 3.18Å; D162-L169 HydrophobicContact CB-CD2 4.14Å
163R69.7Low78.1Confident194 Ų19456.7 Ų56.773%0.73228%0.277SS*.THydrogen-bonded Turntrans-65.8-32.4-177.3-70.6-177174.1-173.91.8112.2F161 K165F161-R163 PolarHBondContact O-N 3.14Å; R163-K165 VanDerWaalsContact C-N 3.34Å
164N72.6Confident78Confident103 Ų10354.8 Ų54.855%0.55127%0.269SS*.THydrogen-bonded Turntrans-84.1-8.5177.756.3-21.2000113D162 D166D162-N164 VanDerWaalsContact C-N 3.27Å; D162-N164 PolarHBondContact O-N 3.26Å; D162-N164 PolarHBondContact OD1-OD1 3.43Å; N164-D166 PolarHBondContact ND2-OD1 3.39Å; N164-D166 PolarHBondContact ND2-OD2 3.37Å; N164-D166 PolarHBondContact O-N 3.11Å; N164-D166 PolarHBondContact OD1-OD1 3.25Å
165K76.2Confident77.5Confident185 Ų18554.8 Ų54.880%0.80427%0.271SS*.  trans56.734178.5-59.3-175.8179.5-178.80112.7D162 R163 G167D162-K165 VanDerWaalsContact CG-CA 3.44Å; D162-K165 PolarHBondContact O-N 2.88Å; D162-K165 WeakPolarHBondContact OD1-CA 3.33Å; D162-K165 PolarHBondContact OD1-N 3.43Å; D162-K165 VanDerWaalsContact OD2-CA 3.31Å; D162-K165 WeakPolarHBondContact OD2-CA 3.32Å; R163-K165 VanDerWaalsContact C-N 3.34Å; K165-G167 VanDerWaalsContact C-N 3.31Å
166D78.1Confident77Confident73 Ų7356.3 Ų56.339%0.3926%0.263SS..SBendtrans-90.5-1.9178.473.5-6.2000112.4D162 N164 R168D162-D166 PolarHBondContact OD1-N 2.8Å; D162-D166 PolarHBondContact OD2-N 3.27Å; N164-D166 PolarHBondContact ND2-OD1 3.39Å; N164-D166 PolarHBondContact ND2-OD2 3.37Å; N164-D166 PolarHBondContact O-N 3.11Å; N164-D166 PolarHBondContact OD1-OD1 3.25Å; D166-R168 VanDerWaalsContact C-N 3.29Å; D166-R168 WeakPolarHBondContact OD1-CA 3.39Å; D166-R168 VanDerWaalsContact OD1-CB 3.3Å; D166-R168 WeakPolarHBondContact OD1-CB 3.5Å; D166-R168 PolarHBondContact OD1-N 2.74Å; D166-R168 VanDerWaalsContact OD1-O 3.14Å
167G80.5Confident76.5Confident29 Ų2954.2 Ų54.230%0.29925%0.25SS..SBendtrans75.716.8-178.500000113.5A127 D162 K165A127-G167 PolarHBondContact N-O 3Å; D162-G167 WeakPolarHBondContact OD2-CA 3.5Å; D162-G167 PolarHBondContact OD2-N 3.18Å; K165-G167 VanDerWaalsContact C-N 3.31Å
168R83.5Confident75.9Confident129 Ų12954.3 Ų54.349%0.48725%0.251SS..EExtended strand (participates in β ladder)trans-129.2139.6-175.6-56.5180-176.6-154.6-3.9110.4F124 I125 D166F124-R168 HydrophobicContact CB-CB 4.15Å; F124-R168 HydrophobicContact CD1-CB 4.3Å; F124-R168 HydrophobicContact CG-CB 4.49Å; I125-R168 CarbonylContact O-C 3.59Å; I125-R168 WeakPolarHBondContact O-CA 3.42Å; D166-R168 VanDerWaalsContact C-N 3.29Å; D166-R168 WeakPolarHBondContact OD1-CA 3.39Å; D166-R168 VanDerWaalsContact OD1-CB 3.3Å; D166-R168 WeakPolarHBondContact OD1-CB 3.5Å; D166-R168 PolarHBondContact OD1-N 2.74Å; D166-R168 VanDerWaalsContact OD1-O 3.14Å
169L82.1Confident75Confident0 Ų054.7 Ų54.70%026%0.257CS..EExtended strand (participates in β ladder)trans-106.4131.5173-63.1-174.8000109.4F124 I125 L130 M158 F161 D162 D173 I177F124-L169 CarbonylContact C-O 3.3Å; F124-L169 WeakPolarHBondContact CA-O 3.49Å; I125-L169 PolarHBondContact N-O 3.45Å; I125-L169 PolarHBondContact O-N 3.39Å; L130-L169 HydrophobicContact CD1-CD1 4.14Å; L130-L169 HydrophobicContact CD2-CD1 3.59Å; L130-L169 HydrophobicContact CG-CD1 4.37Å; M158-L169 HydrophobicContact CE-CD1 4.13Å; M158-L169 HydrophobicContact CE-CG 3.9Å; M158-L169 HydrophobicContact SD-CD1 4.47Å; M158-L169 HydrophobicContact SD-CD2 3.85Å; M158-L169 HydrophobicContact SD-CG 3.86Å; F161-L169 HydrophobicContact CB-CD2 3.57Å; D162-L169 HydrophobicContact CB-CD2 4.14Å; L169-D173 HydrophobicContact CB-CB 4.38Å; L169-D173 HydrophobicContact CD2-CB 4.3Å; L169-I177 HydrophobicContact CD1-CD1 3.77Å
170D79.6Confident74Confident42 Ų4247.2 Ų47.223%0.22523%0.226CC..EExtended strand (participates in β ladder)trans-81173.8171.478.116.2000111.3F124 N172 D173 L174F124-D170 HydrophobicContact CD1-CB 4.25Å; F124-D170 HydrophobicContact CE1-CB 4.25Å; D170-N172 VanDerWaalsContact C-N 3.27Å; D170-N172 PolarHBondContact O-N 2.8Å; D170-N172 WeakPolarHBondContact OD1-CA 3.49Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.22Å; D170-D173 PolarHBondContact O-N 2.66Å; D170-D173 PolarHBondContact OD1-N 2.93Å; D170-L174 PolarHBondContact O-N 2.75Å; D170-L174 VanDerWaalsContact O-N 3.14Å
171L76.1Confident73Confident1 Ų152 Ų521%0.00525%0.248CC..Hα-helixtrans-58.5-38.1178.5-174.772.7000112.5F110 M111 W114 L174 A175 I237 L242F110-L171 HydrophobicContact CE1-CD1 3.62Å; F110-L171 HydrophobicContact CE1-CG 4.42Å; F110-L171 HydrophobicContact CZ-CD1 3.79Å; M111-L171 HydrophobicContact CE-CD1 4.31Å; M111-L171 HydrophobicContact SD-CD1 3.98Å; W114-L171 HydrophobicContact CD2-CD1 3.44Å; W114-L171 VanDerWaalsContact CD2-CD1 3.44Å; W114-L171 HydrophobicContact CE3-CD1 3.66Å; W114-L171 HydrophobicContact CG-CD1 3.91Å; W114-L171 VanDerWaalsContact CH2-CA 3.5Å; W114-L171 HydrophobicContact CH2-CB 4.03Å; W114-L171 HydrophobicContact CH2-CD1 4.24Å; W114-L171 HydrophobicContact CZ2-CB 4.08Å; W114-L171 HydrophobicContact CZ2-CD1 4.02Å; W114-L171 HydrophobicContact CZ3-CB 4.4Å; W114-L171 HydrophobicContact CZ3-CD1 4.05Å; L171-L174 PolarHBondContact O-N 2.82Å; L171-A175 VanDerWaalsContact O-CB 3.27Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.23Å; L171-I237 HydrophobicContact CD2-CG2 4.44Å; L171-L242 HydrophobicContact CD2-CB 4.44Å; L171-L242 HydrophobicContact CD2-CD1 3.56Å
172N73.1Confident72.1Confident33 Ų3357.6 Ų57.618%0.17627%0.274CS..Hα-helixtrans-70.7-38.9-177.8-59.4-66000111.1D170 A175 R176 S236 I237D170-N172 VanDerWaalsContact C-N 3.27Å; D170-N172 PolarHBondContact O-N 2.8Å; D170-N172 WeakPolarHBondContact OD1-CA 3.49Å; D170-N172 WeakPolarHBondContact OD1-CB 3.4Å; D170-N172 PolarHBondContact OD1-N 3.22Å; N172-A175 PolarHBondContact O-N 2.74Å; N172-R176 VanDerWaalsContact O-CB 3.24Å; N172-R176 WeakPolarHBondContact O-CB 3.26Å; N172-R176 PolarHBondContact O-N 2.95Å; N172-S236 WeakPolarHBondContact OD1-CA 3.22Å; N172-I237 VanDerWaalsContact CG-O 3.26Å; N172-I237 PolarHBondContact ND2-O 2.87Å; N172-I237 PolarHBondContact OD1-N 3.41Å; N172-I237 VanDerWaalsContact OD1-N 3.08Å; N172-I237 PolarHBondContact OD1-O 2.86Å; N172-I237 VanDerWaalsContact OD1-O 3.11Å
173D78.2Confident71.2Confident19 Ų1957.2 Ų57.210%0.10227%0.272CS..Hα-helixtrans-63.2-45176.6-78.4-37000110.5F161 L169 D170 R176 I177F161-D173 HydrophobicContact CB-CB 4.08Å; F161-D173 HydrophobicContact CD1-CB 3.97Å; F161-D173 WeakPolarHBondContact CD1-O 3.26Å; F161-D173 WeakPolarHBondContact CE1-O 2.96Å; F161-D173 HydrophobicContact CG-CB 4.49Å; L169-D173 HydrophobicContact CB-CB 4.38Å; L169-D173 HydrophobicContact CD2-CB 4.3Å; D170-D173 PolarHBondContact O-N 2.66Å; D170-D173 PolarHBondContact OD1-N 2.93Å; D173-R176 PolarHBondContact O-N 3.43Å; D173-R176 IonicContact OD1-CZ 3.11Å; D173-R176 IonicContact OD1-NH1 3.97Å; D173-R176 PolarHBondContact OD1-NH1 3.42Å; D173-R176 IonicContact OD1-NH2 3.14Å; D173-I177 VanDerWaalsContact O-CG1 3.31Å; D173-I177 WeakPolarHBondContact O-CG1 3.1Å; D173-I177 PolarHBondContact O-N 3.29Å
174L75.6Confident70.9Confident0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-69.5-39.3176.4-159.669.6000112.8F110 W114 I125 L130 F133 D170 L171 R176 I177 L178F110-L174 HydrophobicContact CE2-CB 4.15Å; F110-L174 HydrophobicContact CE2-CD2 3.75Å; F110-L174 HydrophobicContact CE2-CG 3.87Å; F110-L174 HydrophobicContact CZ-CB 4.26Å; F110-L174 HydrophobicContact CZ-CD2 4.36Å; F110-L174 HydrophobicContact CZ-CG 4.46Å; W114-L174 HydrophobicContact CE3-CB 4.33Å; W114-L174 HydrophobicContact CE3-CD2 3.61Å; W114-L174 HydrophobicContact CZ3-CB 3.9Å; W114-L174 HydrophobicContact CZ3-CD2 3.8Å; I125-L174 HydrophobicContact CD1-CD2 3.9Å; L130-L174 HydrophobicContact CD1-CD1 3.64Å; F133-L174 HydrophobicContact CD1-CD1 4.34Å; F133-L174 HydrophobicContact CD2-CD2 3.96Å; F133-L174 HydrophobicContact CE1-CD1 4.17Å; F133-L174 HydrophobicContact CE1-CD2 4.27Å; F133-L174 HydrophobicContact CE2-CD2 3.7Å; F133-L174 HydrophobicContact CG-CD2 4.42Å; F133-L174 HydrophobicContact CZ-CD2 3.91Å; F133-L174 HydrophobicContact CZ-CG 4.41Å; D170-L174 PolarHBondContact O-N 2.75Å; D170-L174 VanDerWaalsContact O-N 3.14Å; L171-L174 PolarHBondContact O-N 2.82Å; L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3.47Å; L174-I177 HydrophobicContact CD1-CB 4.49Å; L174-I177 HydrophobicContact CD1-CD1 3.9Å; L174-I177 WeakPolarHBondContact O-CB 3.29Å; L174-I177 PolarHBondContact O-N 3.43Å; L174-L178 HydrophobicContact CG-CD1 4.09Å; L174-L178 WeakPolarHBondContact O-CG 3.14Å; L174-L178 PolarHBondContact O-N 3.46Å
175A72.4Confident70.2Confident12 Ų1245.3 Ų45.310%0.09922%0.221CC..Hα-helixtrans-59.8-39173.800000111.5F110 L171 N172 A179 L180F110-A175 HydrophobicContact CE1-CB 4.41Å; F110-A175 HydrophobicContact CZ-CB 4.17Å; L171-A175 VanDerWaalsContact O-CB 3.27Å; L171-A175 WeakPolarHBondContact O-CB 3.47Å; L171-A175 PolarHBondContact O-N 3.23Å; N172-A175 PolarHBondContact O-N 2.74Å; A175-A179 WeakPolarHBondContact O-CA 3.4Å; A175-A179 PolarHBondContact O-N 3.22Å; A175-L180 HydrophobicContact CB-CD1 4.39Å; A175-L180 PolarHBondContact O-N 3.19Å
176R71.2Confident69.4Low75 Ų7541.4 Ų41.428%0.28321%0.209SC..Hα-helixtrans-71.3-36.1175.3-172.8177.687.7-120-1.1112.3R99 F161 N172 D173 L174 L178 A179R99-R176 PolarHBondContact NH2-O 2.93Å; F161-R176 HydrophobicContact CE1-CB 3.83Å; F161-R176 HydrophobicContact CE1-CG 3.8Å; F161-R176 HydrophobicContact CZ-CG 4.45Å; N172-R176 VanDerWaalsContact O-CB 3.24Å; N172-R176 WeakPolarHBondContact O-CB 3.26Å; N172-R176 PolarHBondContact O-N 2.95Å; D173-R176 PolarHBondContact O-N 3.43Å; D173-R176 IonicContact OD1-CZ 3.11Å; D173-R176 IonicContact OD1-NH1 3.97Å; D173-R176 PolarHBondContact OD1-NH1 3.42Å; D173-R176 IonicContact OD1-NH2 3.14Å; L174-R176 VanDerWaalsContact C-N 3.26Å; L174-R176 PolarHBondContact O-N 3.47Å; R176-L178 VanDerWaalsContact C-N 3.3Å; R176-L178 PolarHBondContact O-N 2.83Å; R176-A179 PolarHBondContact O-N 2.67Å
177I69Low68.5Low0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-56.2-50.9173-75165.1000109.7L95 F98 R99 M157 F161 L169 D173 L174 A179L95-I177 HydrophobicContact CD2-CB 4.35Å; L95-I177 HydrophobicContact CD2-CG1 4.45Å; L95-I177 HydrophobicContact CD2-CG2 4.25Å; L95-I177 WeakPolarHBondContact CD2-O 3.5Å; F98-I177 HydrophobicContact CE1-CG2 4.28Å; R99-I177 PolarHBondContact NE-O 3.5Å; M157-I177 HydrophobicContact CB-CD1 4.11Å; M157-I177 HydrophobicContact CE-CG2 3.64Å; M157-I177 HydrophobicContact CG-CD1 4.31Å; M157-I177 HydrophobicContact CG-CG2 4.39Å; M157-I177 HydrophobicContact SD-CD1 4.27Å; M157-I177 HydrophobicContact SD-CG2 3.7Å; F161-I177 HydrophobicContact CB-CD1 4.28Å; F161-I177 HydrophobicContact CD1-CD1 4.15Å; F161-I177 HydrophobicContact CD1-CG1 3.68Å; F161-I177 HydrophobicContact CD2-CD1 3.78Å; F161-I177 HydrophobicContact CD2-CG1 3.45Å; F161-I177 VanDerWaalsContact CD2-CG1 3.45Å; F161-I177 HydrophobicContact CE1-CB 4.41Å; F161-I177 HydrophobicContact CE1-CD1 4.46Å; F161-I177 HydrophobicContact CE1-CG1 3.51Å; F161-I177 HydrophobicContact CE2-CB 4.44Å; F161-I177 HydrophobicContact CE2-CD1 4.15Å; F161-I177 HydrophobicContact CE2-CG1 3.31Å; F161-I177 HydrophobicContact CG-CD1 3.8Å; F161-I177 HydrophobicContact CG-CG1 3.66Å; F161-I177 HydrophobicContact CZ-CB 4.16Å; F161-I177 HydrophobicContact CZ-CD1 4.46Å; F161-I177 HydrophobicContact CZ-CG1 3.32Å; L169-I177 HydrophobicContact CD1-CD1 3.77Å; D173-I177 VanDerWaalsContact O-CG1 3.31Å; D173-I177 WeakPolarHBondContact O-CG1 3.1Å; D173-I177 PolarHBondContact O-N 3.29Å; L174-I177 HydrophobicContact CD1-CB 4.49Å; L174-I177 HydrophobicContact CD1-CD1 3.9Å; L174-I177 WeakPolarHBondContact O-CB 3.29Å; L174-I177 PolarHBondContact O-N 3.43Å; I177-A179 VanDerWaalsContact C-N 3.27Å; I177-A179 PolarHBondContact O-N 3.37Å
178L66.3Low67.5Low3 Ų344.2 Ų44.22%0.01621%0.211CC..Hα-helixtrans-78.3-15.3-172.1-63.8169.8000113F98 L104 F110 F133 L137 L174 R176 L180F98-L178 HydrophobicContact CE1-CD2 3.78Å; F98-L178 HydrophobicContact CZ-CD2 4.21Å; L104-L178 HydrophobicContact CD1-CB 4.05Å; L104-L178 HydrophobicContact CD1-CD1 3.63Å; L104-L178 HydrophobicContact CD1-CD2 3.64Å; L104-L178 HydrophobicContact CD1-CG 3.94Å; F110-L178 HydrophobicContact CD2-CD1 3.22Å; F110-L178 HydrophobicContact CE2-CD1 3.33Å; F110-L178 HydrophobicContact CG-CD1 4.42Å; F133-L178 HydrophobicContact CE1-CD1 4.17Å; F133-L178 HydrophobicContact CE1-CD2 3.99Å; F133-L178 HydrophobicContact CZ-CD1 3.58Å; F133-L178 HydrophobicContact CZ-CD2 4.13Å; F133-L178 HydrophobicContact CZ-CG 4.4Å; L137-L178 HydrophobicContact CD2-CD2 3.86Å; L174-L178 HydrophobicContact CG-CD1 4.09Å; L174-L178 WeakPolarHBondContact O-CG 3.14Å; L174-L178 PolarHBondContact O-N 3.46Å; R176-L178 VanDerWaalsContact C-N 3.3Å; R176-L178 PolarHBondContact O-N 2.83Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 HydrophobicContact CB-CD1 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.39Å; L178-L180 PolarHBondContact O-N 3.32Å
179A61.8Low66Low29 Ų2945.5 Ų45.524%0.2422%0.22CC..THydrogen-bonded Turntrans37.765.3-163.400000110.5R99 A175 R176 I177 Q181R99-A179 HydrophobicContact CG-CB 3.94Å; A175-A179 WeakPolarHBondContact O-CA 3.4Å; A175-A179 PolarHBondContact O-N 3.22Å; R176-A179 PolarHBondContact O-N 2.67Å; I177-A179 VanDerWaalsContact C-N 3.27Å; I177-A179 PolarHBondContact O-N 3.37Å; A179-Q181 PolarHBondContact O-N 3Å
180L61.1Low64.5Low27 Ų2753.2 Ų53.214%0.14126%0.258CS..  trans-42.7123.9161.8-96.883.1000106.9F110 A175 L178F110-L180 HydrophobicContact CB-CD1 3.85Å; F110-L180 HydrophobicContact CB-CD2 4.11Å; F110-L180 HydrophobicContact CB-CG 4.3Å; F110-L180 HydrophobicContact CD1-CD1 3.86Å; F110-L180 HydrophobicContact CD1-CD2 3.92Å; F110-L180 HydrophobicContact CD2-CD1 3.73Å; F110-L180 HydrophobicContact CE1-CD1 4.29Å; F110-L180 HydrophobicContact CE2-CD1 4.16Å; F110-L180 HydrophobicContact CG-CD1 3.53Å; F110-L180 HydrophobicContact CG-CD2 4.15Å; F110-L180 HydrophobicContact CG-CG 4.36Å; F110-L180 HydrophobicContact CZ-CD1 4.42Å; A175-L180 HydrophobicContact CB-CD1 4.39Å; A175-L180 PolarHBondContact O-N 3.19Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 HydrophobicContact CB-CD1 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.39Å; L178-L180 PolarHBondContact O-N 3.32Å
181Q52.1Low63Low120 Ų12056.5 Ų56.556%0.56128%0.276SS*.  trans-46.7149174.8-89.6-171.6-900109.2A179 N183A179-Q181 PolarHBondContact O-N 3Å; Q181-N183 PolarHBondContact O-N 3.44Å
182E56.4Low61.9Low118 Ų11857.2 Ų57.255%0.55128%0.282SS*.SBendtrans-35.5120.2178-70.7-176.1167.800109.7Q19 F184Q19-E182 PolarHBondContact NE2-OE1 2.81Å; E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.16Å
183N59Low60.9Low9 Ų961.9 Ų61.95%0.04832%0.316CS..  trans-33121.6-179.3168.2-19.3000110.1Q181 L185 L186 D228 E231Q181-N183 PolarHBondContact O-N 3.44Å; N183-L185 PolarHBondContact O-N 2.86Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.27Å; N183-L185 PolarHBondContact OD1-N 3.07Å; N183-L186 HydrophobicContact CB-CD1 3.78Å; N183-L186 HydrophobicContact CB-CG 3.91Å; N183-L186 VanDerWaalsContact O-CB 3.25Å; N183-L186 WeakPolarHBondContact O-CB 3.42Å; N183-L186 PolarHBondContact O-N 2.95Å; N183-D228 WeakPolarHBondContact ND2-CA 3.34Å; N183-D228 PolarHBondContact ND2-O 3.28Å; N183-D228 WeakPolarHBondContact OD1-CB 3.49Å; N183-D228 PolarHBondContact OD1-OD2 3.42Å; N183-E231 WeakPolarHBondContact ND2-CB 3.19Å; N183-E231 PolarHBondContact ND2-OE2 3.19Å
184F64.1Low60.3Low34 Ų3462.6 Ų62.615%0.14932%0.322CS..G310 helixtrans-56.1-31.1-168.3175.3-95.2000111.1E182 L186 Q187 F188 I205 H208 Y209 D228E182-F184 PolarHBondContact O-N 2.89Å; E182-F184 VanDerWaalsContact O-N 3.16Å; F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.62Å; F184-Q187 WeakPolarHBondContact O-CB 3.49Å; F184-Q187 PolarHBondContact O-N 3.11Å; F184-F188 HydrophobicContact CD1-CD2 4.42Å; F184-F188 AromaticContact CD1-CE2 3.8Å; F184-F188 HydrophobicContact CD1-CE2 3.8Å; F184-F188 HydrophobicContact CE1-CD2 4.14Å; F184-F188 AromaticContact CE1-CE2 3.19Å; F184-F188 HydrophobicContact CE1-CE2 3.19Å; F184-F188 AromaticContact CE1-CZ 3.77Å; F184-F188 HydrophobicContact CE1-CZ 3.77Å; F184-F188 HydrophobicContact CE2-CE2 4.16Å; F184-F188 HydrophobicContact CG-CE2 4.48Å; F184-F188 AromaticContact CZ-CE2 3.44Å; F184-F188 HydrophobicContact CZ-CE2 3.44Å; F184-F188 VanDerWaalsContact CZ-CE2 3.44Å; F184-F188 AromaticContact CZ-CZ 3.7Å; F184-F188 HydrophobicContact CZ-CZ 3.7Å; F184-F188 WeakPolarHBondContact O-CD2 3.39Å; F184-I205 HydrophobicContact CD1-CG1 4.36Å; F184-I205 HydrophobicContact CE1-CB 4.33Å; F184-I205 HydrophobicContact CE1-CG1 3.83Å; F184-H208 HydrophobicContact CD1-CB 4.25Å; F184-H208 AromaticContact CD1-CD2 3.85Å; F184-H208 AromaticContact CD2-CD2 3.83Å; F184-H208 AromaticContact CD2-CE1 3.75Å; F184-H208 AromaticContact CD2-CG 3.84Å; F184-H208 AromaticContact CD2-ND1 3.79Å; F184-H208 AromaticContact CD2-NE2 3.78Å; F184-H208 HydrophobicContact CE1-CB 3.76Å; F184-H208 AromaticContact CE1-CG 3.96Å; F184-H208 HydrophobicContact CE2-CB 4.12Å; F184-H208 AromaticContact CE2-CG 3.72Å; F184-H208 AromaticContact CE2-ND1 3.64Å; F184-H208 AromaticContact CG-CD2 3.63Å; F184-H208 AromaticContact CG-CG 3.99Å; F184-H208 AromaticContact CG-NE2 3.84Å; F184-H208 HydrophobicContact CZ-CB 3.66Å; F184-H208 AromaticContact CZ-CG 3.77Å; F184-Y209 HydrophobicContact CD1-CE2 4.15Å; F184-D228 PolarHBondContact N-OD2 3.01Å
185L58.5Low59.8Low13 Ų1366.2 Ų66.27%0.06835%0.345CS..G310 helixtrans-70.2-23.1178.2-55.7180000113.6N183 Q187 F188 I205 Y209 D228 M229 L232N183-L185 PolarHBondContact O-N 2.86Å; N183-L185 VanDerWaalsContact OD1-CB 3.31Å; N183-L185 WeakPolarHBondContact OD1-CB 3.27Å; N183-L185 PolarHBondContact OD1-N 3.07Å; L185-Q187 PolarHBondContact O-N 3.2Å; L185-F188 PolarHBondContact O-N 2.84Å; L185-I205 HydrophobicContact CD2-CB 4.36Å; L185-I205 HydrophobicContact CD2-CD1 3.72Å; L185-I205 HydrophobicContact CD2-CG1 3.76Å; L185-I205 HydrophobicContact CD2-CG2 3.65Å; L185-Y209 HydrophobicContact CD2-CE2 4.15Å; L185-D228 HydrophobicContact CD1-CB 3.91Å; L185-D228 HydrophobicContact CG-CB 4.06Å; L185-M229 HydrophobicContact CD1-CB 4.06Å; L185-L232 HydrophobicContact CB-CD1 3.86Å; L185-L232 HydrophobicContact CB-CD2 4.17Å; L185-L232 HydrophobicContact CB-CG 4.24Å; L185-L232 HydrophobicContact CD1-CD1 4.01Å
186L59.4Low59.6Low104 Ų10471.4 Ų71.455%0.54537%0.367SS..G310 helixtrans-65.4-22.3174.4-68.5172.2000112.6N183 F184 F188 L232N183-L186 HydrophobicContact CB-CD1 3.78Å; N183-L186 HydrophobicContact CB-CG 3.91Å; N183-L186 VanDerWaalsContact O-CB 3.25Å; N183-L186 WeakPolarHBondContact O-CB 3.42Å; N183-L186 PolarHBondContact O-N 2.95Å; F184-L186 VanDerWaalsContact C-N 3.31Å; F184-L186 PolarHBondContact O-N 2.62Å; L186-F188 PolarHBondContact O-N 3.3Å; L186-L232 HydrophobicContact CD2-CD2 3.51Å; L186-L232 HydrophobicContact CG-CD2 4.02Å
187Q59.1Low59.5Low125 Ų12571.4 Ų71.458%0.58437%0.37SS*.G310 helixtrans-70.5-17.7173.5-56.2-175.74.700112F184 L185F184-Q187 WeakPolarHBondContact O-CB 3.49Å; F184-Q187 PolarHBondContact O-N 3.11Å; L185-Q187 PolarHBondContact O-N 3.2Å
188F58.5Low59.5Low36 Ų3676.8 Ų76.816%0.15839%0.39CS..SBendtrans-102.7112.9-179.9-61.8-87.9000110F184 L185 L186 M190 D201 K204 I205F184-F188 HydrophobicContact CD1-CD2 4.42Å; F184-F188 AromaticContact CD1-CE2 3.8Å; F184-F188 HydrophobicContact CD1-CE2 3.8Å; F184-F188 HydrophobicContact CE1-CD2 4.14Å; F184-F188 AromaticContact CE1-CE2 3.19Å; F184-F188 HydrophobicContact CE1-CE2 3.19Å; F184-F188 AromaticContact CE1-CZ 3.77Å; F184-F188 HydrophobicContact CE1-CZ 3.77Å; F184-F188 HydrophobicContact CE2-CE2 4.16Å; F184-F188 HydrophobicContact CG-CE2 4.48Å; F184-F188 AromaticContact CZ-CE2 3.44Å; F184-F188 HydrophobicContact CZ-CE2 3.44Å; F184-F188 VanDerWaalsContact CZ-CE2 3.44Å; F184-F188 AromaticContact CZ-CZ 3.7Å; F184-F188 HydrophobicContact CZ-CZ 3.7Å; F184-F188 WeakPolarHBondContact O-CD2 3.39Å; L185-F188 PolarHBondContact O-N 2.84Å; L186-F188 PolarHBondContact O-N 3.3Å; F188-M190 PolarHBondContact O-N 2.82Å; F188-D201 HydrophobicContact CD1-CB 3.52Å; F188-D201 HydrophobicContact CE1-CB 3.95Å; F188-D201 HydrophobicContact CG-CB 4.47Å; F188-K204 HydrophobicContact CE1-CB 4.08Å; F188-K204 HydrophobicContact CE1-CD 4.02Å; F188-K204 HydrophobicContact CZ-CB 3.9Å; F188-K204 HydrophobicContact CZ-CD 4.23Å; F188-I205 HydrophobicContact CB-CD1 4.38Å; F188-I205 HydrophobicContact CD1-CD1 4.34Å; F188-I205 HydrophobicContact CD2-CD1 4.03Å; F188-I205 HydrophobicContact CD2-CG1 3.9Å; F188-I205 HydrophobicContact CE1-CG1 4.42Å; F188-I205 HydrophobicContact CE2-CD1 4.47Å; F188-I205 HydrophobicContact CE2-CG1 3.86Å; F188-I205 HydrophobicContact CG-CD1 3.96Å; F188-I205 HydrophobicContact CG-CG1 4.24Å; F188-I205 HydrophobicContact CZ-CG1 4.1Å
189K52.9Low59.7Low155 Ų15580.5 Ų80.567%0.67441%0.406SS*.  trans-69.6112.1173.9-83.9-167-178.9-170.10110.3D191 A192K189-D191 WeakPolarHBondContact CA-OD1 3.24Å; K189-D191 WeakPolarHBondContact CB-OD1 3.28Å; K189-D191 PolarHBondContact O-N 3.2Å; K189-D191 VanDerWaalsContact O-N 3.09Å; K189-A192 PolarHBondContact O-N 2.93Å
190M50.8Low60.4Low162 Ų16285.8 Ų85.880%0.79842%0.42SS*.THydrogen-bonded Turntrans-62.8-12.6177.6-73.8-144.877.500113.7F188 A192F188-M190 PolarHBondContact O-N 2.82Å; M190-A192 PolarHBondContact O-N 3.13Å
191D48Very low61Low111 Ų11186 Ų8659%0.59442%0.421SS*.THydrogen-bonded Turntrans-75.914172.344.8-48.8000114.1K189 C193K189-D191 WeakPolarHBondContact CA-OD1 3.24Å; K189-D191 WeakPolarHBondContact CB-OD1 3.28Å; K189-D191 PolarHBondContact O-N 3.2Å; K189-D191 VanDerWaalsContact O-N 3.09Å; D191-C193 PolarHBondContact O-N 3.04Å; D191-C193 PolarHBondContact O-SG 3.38Å; D191-C193 VanDerWaalsContact O-SG 3.36Å
192A51.7Low62.2Low16 Ų1680.7 Ų80.713%0.13240%0.396CS..  trans-54.1104.3168.900000111.2K189 M190 S194 E197 R198K189-A192 PolarHBondContact O-N 2.93Å; M190-A192 PolarHBondContact O-N 3.13Å; A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 2.78Å; A192-E197 HydrophobicContact CB-CB 4.14Å; A192-R198 PolarHBondContact O-NH2 3.43Å
193C52.3Low63.3Low131 Ų13179.6 Ų79.689%0.88539%0.391SS*.  trans-75.7-16.7-173.5-760000113.6D191D191-C193 PolarHBondContact O-N 3.04Å; D191-C193 PolarHBondContact O-SG 3.38Å; D191-C193 VanDerWaalsContact O-SG 3.36Å
194S65.5Low64.4Low35 Ų3585 Ų8525%0.24541%0.414CS..SBendtrans-112.1150.317972.10000113.3A192 E196 E197 R198A192-S194 VanDerWaalsContact C-N 3.34Å; A192-S194 PolarHBondContact O-N 2.78Å; S194-E196 PolarHBondContact O-N 2.84Å; S194-E197 PolarHBondContact N-OE2 3.06Å; S194-E197 WeakPolarHBondContact OG-CB 3.46Å; S194-E197 WeakPolarHBondContact OG-CG 3.11Å; S194-E197 PolarHBondContact OG-N 3.44Å; S194-E197 PolarHBondContact OG-OE2 3.49Å; S194-R198 PolarHBondContact O-N 3.23Å
195T64.6Low65.1Low76 Ų7684.5 Ų84.547%0.46641%0.413SS..Hα-helixtrans-66.5-28.7180-53.20000111.1K199T195-K199 WeakPolarHBondContact O-CG 3.45Å; T195-K199 PolarHBondContact O-N 3.23Å
196E69.6Low66.1Low120 Ų12084.3 Ų84.356%0.56141%0.411SS*.Hα-helixtrans-77.6-39.2-175.1-68.361.9-148.500111.2S194 K199 R200S194-E196 PolarHBondContact O-N 2.84Å; E196-K199 PolarHBondContact O-N 3.31Å; E196-R200 PolarHBondContact O-N 2.97Å
197E69.5Low67.2Low75 Ų7582.6 Ų82.635%0.3541%0.412SS..Hα-helixtrans-64-48170.7-73.7166.8147.100110.5A192 S194 K199 R200 D201A192-E197 HydrophobicContact CB-CB 4.14Å; S194-E197 PolarHBondContact N-OE2 3.06Å; S194-E197 WeakPolarHBondContact OG-CB 3.46Å; S194-E197 WeakPolarHBondContact OG-CG 3.11Å; S194-E197 PolarHBondContact OG-N 3.44Å; S194-E197 PolarHBondContact OG-OE2 3.49Å; E197-K199 PolarHBondContact O-N 3.14Å; E197-R200 PolarHBondContact O-N 3.36Å; E197-R200 VanDerWaalsContact O-N 3.08Å; E197-D201 WeakPolarHBondContact O-CB 3.36Å; E197-D201 PolarHBondContact O-N 3.35Å
198R67.2Low68.3Low113 Ų11379.2 Ų79.243%0.42640%0.397SS..Hα-helixtrans-59.1-36.3176.9-162.3-179.5-60.81635112.5A192 S194 F202 L272A192-R198 PolarHBondContact O-NH2 3.43Å; S194-R198 PolarHBondContact O-N 3.23Å; R198-F202 WeakPolarHBondContact O-CB 3.16Å; R198-F202 PolarHBondContact O-N 3.24Å; R198-L272 HydrophobicContact CB-CD2 4.02Å; R198-L272 HydrophobicContact CG-CD1 4.27Å; R198-L272 HydrophobicContact CG-CD2 3.78Å; R198-L272 HydrophobicContact CG-CG 4.35Å
199K71.1Confident69.3Low81 Ų8177.5 Ų77.535%0.35239%0.389SS..Hα-helixtrans-66.5-44.7173.6-81.6-179.1177-174.20112.8T195 E196 E197 D201 E203 L272 K273T195-K199 WeakPolarHBondContact O-CG 3.45Å; T195-K199 PolarHBondContact O-N 3.23Å; E196-K199 PolarHBondContact O-N 3.31Å; E197-K199 PolarHBondContact O-N 3.14Å; K199-D201 VanDerWaalsContact C-N 3.34Å; K199-E203 WeakPolarHBondContact O-CB 3.33Å; K199-E203 PolarHBondContact O-N 3.11Å; K199-L272 HydrophobicContact CG-CD2 4.08Å; K199-K273 WeakPolarHBondContact CE-O 3.2Å; K199-K273 PolarHBondContact NZ-O 3.41Å
200R76.6Confident70.8Confident140 Ų14070.9 Ų70.953%0.52836%0.361SS..Hα-helixtrans-64.6-40.9176.5-73.9-165.6-39.9-105.8-6.5112.1E196 E197 E203 K204E196-R200 PolarHBondContact O-N 2.97Å; E197-R200 PolarHBondContact O-N 3.36Å; E197-R200 VanDerWaalsContact O-N 3.08Å; R200-E203 WeakPolarHBondContact O-CB 3.36Å; R200-E203 PolarHBondContact O-N 3.21Å; R200-K204 WeakPolarHBondContact O-CG 3.43Å; R200-K204 PolarHBondContact O-N 3.25Å
201D74.9Confident72.1Confident31 Ų3166.9 Ų66.917%0.16635%0.346CS..Hα-helixtrans-67.3-44.1-179.1-67.2-15.7000109.7F188 E197 K199 E203 K204 I205F188-D201 HydrophobicContact CD1-CB 3.52Å; F188-D201 HydrophobicContact CE1-CB 3.95Å; F188-D201 HydrophobicContact CG-CB 4.47Å; E197-D201 WeakPolarHBondContact O-CB 3.36Å; E197-D201 PolarHBondContact O-N 3.35Å; K199-D201 VanDerWaalsContact C-N 3.34Å; D201-E203 VanDerWaalsContact C-N 3.33Å; D201-E203 PolarHBondContact O-N 2.68Å; D201-K204 PolarHBondContact O-N 2.85Å; D201-I205 WeakPolarHBondContact O-CB 3.27Å; D201-I205 WeakPolarHBondContact O-CD1 3.31Å; D201-I205 WeakPolarHBondContact O-CG1 3.44Å; D201-I205 PolarHBondContact O-N 2.88Å
202F76.8Confident73.6Confident9 Ų964.2 Ų64.24%0.03934%0.335CS..Hα-helixtrans-55.8-44.9170.1177.2-96.5000112.7R198 K204 I205 F206 K263 L266 A267 L270 L272 I274R198-F202 WeakPolarHBondContact O-CB 3.16Å; R198-F202 PolarHBondContact O-N 3.24Å; F202-K204 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.31Å; F202-I205 PolarHBondContact O-N 3.31Å; F202-F206 HydrophobicContact CZ-CD2 4.12Å; F202-F206 VanDerWaalsContact O-CB 3.32Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 PolarHBondContact O-N 3.49Å; F202-K263 HydrophobicContact CE1-CG 3.73Å; F202-K263 HydrophobicContact CZ-CG 4.11Å; F202-L266 HydrophobicContact CE2-CB 4.17Å; F202-L266 HydrophobicContact CE2-CD2 3.74Å; F202-L266 HydrophobicContact CE2-CG 3.83Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD2 4.19Å; F202-L266 HydrophobicContact CZ-CG 4.3Å; F202-A267 HydrophobicContact CE1-CB 4.08Å; F202-A267 HydrophobicContact CE2-CB 4.43Å; F202-A267 HydrophobicContact CZ-CB 3.87Å; F202-L270 HydrophobicContact CD2-CD1 3.77Å; F202-L270 HydrophobicContact CE2-CD1 3.78Å; F202-L272 HydrophobicContact CB-CD1 3.57Å; F202-L272 HydrophobicContact CD1-CD1 4.3Å; F202-L272 HydrophobicContact CD2-CD1 3.88Å; F202-L272 HydrophobicContact CG-CD1 3.64Å; F202-I274 HydrophobicContact CD1-CD1 4.15Å; F202-I274 HydrophobicContact CE1-CD1 3.64Å; F202-I274 HydrophobicContact CZ-CD1 4.43Å
203E79.8Confident75Confident95 Ų9572.2 Ų72.244%0.44437%0.367SS..Hα-helixtrans-60.7-43.4178.9-160.977.3-174.200111.8K199 R200 D201 A207 K263K199-E203 WeakPolarHBondContact O-CB 3.33Å; K199-E203 PolarHBondContact O-N 3.11Å; R200-E203 WeakPolarHBondContact O-CB 3.36Å; R200-E203 PolarHBondContact O-N 3.21Å; D201-E203 VanDerWaalsContact C-N 3.33Å; D201-E203 PolarHBondContact O-N 2.68Å; E203-A207 VanDerWaalsContact O-CB 3.23Å; E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 2.84Å; E203-K263 IonicContact OE1-NZ 3.7Å; E203-K263 PolarHBondContact OE1-NZ 3.08Å; E203-K263 WeakPolarHBondContact OE2-CE 3.42Å; E203-K263 IonicContact OE2-NZ 2.75Å; E203-K263 PolarHBondContact OE2-NZ 3.38Å
204K80.8Confident76.3Confident124 Ų12469.6 Ų69.654%0.53935%0.347SS..Hα-helixtrans-66.9-42.7177.3-75.4178.8176-177.10112.1F188 R200 D201 F202 H208F188-K204 HydrophobicContact CE1-CB 4.08Å; F188-K204 HydrophobicContact CE1-CD 4.02Å; F188-K204 HydrophobicContact CZ-CB 3.9Å; F188-K204 HydrophobicContact CZ-CD 4.23Å; R200-K204 WeakPolarHBondContact O-CG 3.43Å; R200-K204 PolarHBondContact O-N 3.25Å; D201-K204 PolarHBondContact O-N 2.85Å; F202-K204 VanDerWaalsContact C-N 3.33Å; F202-K204 PolarHBondContact O-N 3.31Å; K204-H208 WeakPolarHBondContact O-CB 3.47Å; K204-H208 PolarHBondContact O-N 3.1Å
205I78.9Confident77.1Confident22 Ų2269.7 Ų69.711%0.11335%0.354CS..Hα-helixtrans-59.6-55.1175.4-70.6164.6000109.7F184 L185 F188 D201 F202 A207 H208 Y209 F225F184-I205 HydrophobicContact CD1-CG1 4.36Å; F184-I205 HydrophobicContact CE1-CB 4.33Å; F184-I205 HydrophobicContact CE1-CG1 3.83Å; L185-I205 HydrophobicContact CD2-CB 4.36Å; L185-I205 HydrophobicContact CD2-CD1 3.72Å; L185-I205 HydrophobicContact CD2-CG1 3.76Å; L185-I205 HydrophobicContact CD2-CG2 3.65Å; F188-I205 HydrophobicContact CB-CD1 4.38Å; F188-I205 HydrophobicContact CD1-CD1 4.34Å; F188-I205 HydrophobicContact CD2-CD1 4.03Å; F188-I205 HydrophobicContact CD2-CG1 3.9Å; F188-I205 HydrophobicContact CE1-CG1 4.42Å; F188-I205 HydrophobicContact CE2-CD1 4.47Å; F188-I205 HydrophobicContact CE2-CG1 3.86Å; F188-I205 HydrophobicContact CG-CD1 3.96Å; F188-I205 HydrophobicContact CG-CG1 4.24Å; F188-I205 HydrophobicContact CZ-CG1 4.1Å; D201-I205 WeakPolarHBondContact O-CB 3.27Å; D201-I205 WeakPolarHBondContact O-CD1 3.31Å; D201-I205 WeakPolarHBondContact O-CG1 3.44Å; D201-I205 PolarHBondContact O-N 2.88Å; F202-I205 PolarHBondContact O-N 3.31Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 3.47Å; I205-H208 WeakPolarHBondContact O-CB 3.21Å; I205-H208 PolarHBondContact O-N 3.5Å; I205-Y209 HydrophobicContact CG2-CD2 3.9Å; I205-Y209 HydrophobicContact CG2-CE2 3.83Å; I205-Y209 WeakPolarHBondContact O-CD2 3.24Å; I205-Y209 PolarHBondContact O-N 2.8Å; I205-F225 HydrophobicContact CG2-CD2 4.25Å; I205-F225 HydrophobicContact CG2-CE2 3.87Å
206F80.7Confident78Confident9 Ų966.5 Ų66.54%0.03934%0.335CS..Hα-helixtrans-57.9-45.2-179.7-164.2-84.4000111.7F202 H208 Y209 D210 G215 L217 K263 L266F202-F206 HydrophobicContact CZ-CD2 4.12Å; F202-F206 VanDerWaalsContact O-CB 3.32Å; F202-F206 WeakPolarHBondContact O-CB 3.49Å; F202-F206 PolarHBondContact O-N 3.49Å; F206-H208 VanDerWaalsContact C-N 3.26Å; F206-H208 PolarHBondContact O-N 2.92Å; F206-Y209 PolarHBondContact O-N 3.43Å; F206-D210 HydrophobicContact CD1-CB 4.05Å; F206-D210 HydrophobicContact CE1-CB 3.84Å; F206-D210 VanDerWaalsContact O-CB 3.25Å; F206-D210 WeakPolarHBondContact O-CB 3.31Å; F206-D210 PolarHBondContact O-N 3.38Å; F206-G215 WeakPolarHBondContact CZ-O 3.41Å; F206-L217 HydrophobicContact CD2-CD1 4.35Å; F206-L217 HydrophobicContact CD2-CG 4.3Å; F206-L217 HydrophobicContact CE2-CD1 4.14Å; F206-L217 HydrophobicContact CE2-CD2 4.19Å; F206-L217 HydrophobicContact CE2-CG 3.73Å; F206-L217 HydrophobicContact CZ-CD2 4.21Å; F206-L217 HydrophobicContact CZ-CG 4.04Å; F206-K263 HydrophobicContact CD1-CB 4.39Å; F206-K263 HydrophobicContact CD1-CD 4.19Å; F206-K263 HydrophobicContact CD1-CG 4.2Å; F206-K263 HydrophobicContact CD2-CB 4.22Å; F206-K263 HydrophobicContact CD2-CG 4.06Å; F206-K263 HydrophobicContact CE1-CB 3.95Å; F206-K263 HydrophobicContact CE1-CD 4.37Å; F206-K263 HydrophobicContact CE1-CG 4.26Å; F206-K263 VanDerWaalsContact CE2-CA 3.48Å; F206-K263 HydrophobicContact CE2-CB 3.76Å; F206-K263 HydrophobicContact CE2-CG 4.12Å; F206-K263 HydrophobicContact CG-CD 4.45Å; F206-K263 HydrophobicContact CG-CG 4.1Å; F206-K263 HydrophobicContact CZ-CB 3.61Å; F206-K263 HydrophobicContact CZ-CG 4.22Å; F206-L266 HydrophobicContact CD2-CD2 3.99Å; F206-L266 HydrophobicContact CE2-CD2 4.32Å
207A83.1Confident78.7Confident68 Ų6860.8 Ų60.856%0.56231%0.308SS*.Hα-helixtrans-66.7-24178.700000114.1E203 I205E203-A207 VanDerWaalsContact O-CB 3.23Å; E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 2.84Å; I205-A207 VanDerWaalsContact C-N 3.31Å; I205-A207 PolarHBondContact O-N 3.47Å
208H80.5Confident79.3Confident55 Ų5560.1 Ų60.126%0.25531%0.305SS..Hα-helixtrans-74.6-40174.5-177.779.3000111.7F184 K204 I205 F206F184-H208 HydrophobicContact CD1-CB 4.25Å; F184-H208 AromaticContact CD1-CD2 3.85Å; F184-H208 AromaticContact CD2-CD2 3.83Å; F184-H208 AromaticContact CD2-CE1 3.75Å; F184-H208 AromaticContact CD2-CG 3.84Å; F184-H208 AromaticContact CD2-ND1 3.79Å; F184-H208 AromaticContact CD2-NE2 3.78Å; F184-H208 HydrophobicContact CE1-CB 3.76Å; F184-H208 AromaticContact CE1-CG 3.96Å; F184-H208 HydrophobicContact CE2-CB 4.12Å; F184-H208 AromaticContact CE2-CG 3.72Å; F184-H208 AromaticContact CE2-ND1 3.64Å; F184-H208 AromaticContact CG-CD2 3.63Å; F184-H208 AromaticContact CG-CG 3.99Å; F184-H208 AromaticContact CG-NE2 3.84Å; F184-H208 HydrophobicContact CZ-CB 3.66Å; F184-H208 AromaticContact CZ-CG 3.77Å; K204-H208 WeakPolarHBondContact O-CB 3.47Å; K204-H208 PolarHBondContact O-N 3.1Å; I205-H208 WeakPolarHBondContact O-CB 3.21Å; I205-H208 PolarHBondContact O-N 3.5Å; F206-H208 VanDerWaalsContact C-N 3.26Å; F206-H208 PolarHBondContact O-N 2.92Å
209Y80.3Confident80Confident0 Ų056 Ų560%030%0.297CS..Hα-helixtrans-84.4-30.9-179.1-68.8-75.1000113.8S107 V108 F184 L185 I205 F206 V211 E221 F225 D228S107-Y209 WeakPolarHBondContact OG-CE1 3.49Å; V108-Y209 HydrophobicContact CG2-CD1 3.73Å; V108-Y209 HydrophobicContact CG2-CE1 4.46Å; F184-Y209 HydrophobicContact CD1-CE2 4.15Å; L185-Y209 HydrophobicContact CD2-CE2 4.15Å; I205-Y209 HydrophobicContact CG2-CD2 3.9Å; I205-Y209 HydrophobicContact CG2-CE2 3.83Å; I205-Y209 WeakPolarHBondContact O-CD2 3.24Å; I205-Y209 PolarHBondContact O-N 2.8Å; F206-Y209 PolarHBondContact O-N 3.43Å; Y209-V211 PolarHBondContact O-N 3.05Å; Y209-E221 WeakPolarHBondContact O-CB 3.17Å; Y209-E221 VanDerWaalsContact O-CG 3.22Å; Y209-E221 WeakPolarHBondContact O-CG 3.46Å; Y209-F225 HydrophobicContact CD1-CB 4.12Å; Y209-F225 HydrophobicContact CD2-CB 4.41Å; Y209-F225 AromaticContact CD2-CD2 3.8Å; Y209-F225 HydrophobicContact CD2-CD2 3.8Å; Y209-F225 HydrophobicContact CE1-CB 4.33Å; Y209-F225 AromaticContact CE2-CD2 3.87Å; Y209-F225 HydrophobicContact CE2-CD2 3.87Å; Y209-F225 HydrophobicContact CG-CB 4.17Å; Y209-F225 HydrophobicContact CG-CD2 4.36Å; Y209-D228 WeakPolarHBondContact OH-CB 3.26Å; Y209-D228 VanDerWaalsContact OH-CG 3.23Å; Y209-D228 PolarHBondContact OH-OD2 3.29Å
210D84Confident80.4Confident16 Ų1653.9 Ų53.99%0.08629%0.292CS..  trans-76.363.7174.1-175.316.7000110.6F206 S212 K213 T214 G215 L217F206-D210 HydrophobicContact CD1-CB 4.05Å; F206-D210 HydrophobicContact CE1-CB 3.84Å; F206-D210 VanDerWaalsContact O-CB 3.25Å; F206-D210 WeakPolarHBondContact O-CB 3.31Å; F206-D210 PolarHBondContact O-N 3.38Å; D210-S212 PolarHBondContact O-N 3.41Å; D210-S212 PolarHBondContact OD1-OG 2.9Å; D210-K213 PolarHBondContact O-N 2.8Å; D210-K213 VanDerWaalsContact O-N 3.09Å; D210-K213 WeakPolarHBondContact OD1-CA 3.42Å; D210-K213 PolarHBondContact OD1-N 3.42Å; D210-K213 WeakPolarHBondContact OD2-CA 3.2Å; D210-T214 PolarHBondContact OD1-N 3.21Å; D210-T214 PolarHBondContact OD2-N 2.91Å; D210-G215 WeakPolarHBondContact OD2-CA 3.25Å; D210-G215 PolarHBondContact OD2-N 3.47Å; D210-L217 HydrophobicContact CB-CD2 3.98Å
211V79.1Confident80.8Confident78 Ų7847.5 Ų47.547%0.47327%0.268SS..THydrogen-bonded Turntrans-63.3-34.6178.3179.30000110.1V108 Y209 K213 E221V108-V211 HydrophobicContact CB-CG2 4.03Å; V108-V211 HydrophobicContact CG1-CB 4.47Å; V108-V211 HydrophobicContact CG1-CG2 3.91Å; V108-V211 HydrophobicContact CG2-CG2 4.13Å; Y209-V211 PolarHBondContact O-N 3.05Å; V211-K213 PolarHBondContact O-N 3.21Å; V211-E221 PolarHBondContact N-OE1 2.95Å
212S78.9Confident81.1Confident54 Ų5446 Ų4638%0.37826%0.261SS..THydrogen-bonded Turntrans-69-17.2175.366.10000113.7D210 T214 E221D210-S212 PolarHBondContact O-N 3.41Å; D210-S212 PolarHBondContact OD1-OG 2.9Å; S212-T214 PolarHBondContact O-N 3.27Å; S212-T214 VanDerWaalsContact OG-CG2 3.3Å; S212-T214 WeakPolarHBondContact OG-CG2 3.31Å; S212-T214 PolarHBondContact OG-OG1 3.46Å; S212-E221 WeakPolarHBondContact CB-OE1 3.4Å; S212-E221 PolarHBondContact N-OE1 3.21Å; S212-E221 PolarHBondContact OG-OE1 3.42Å; S212-E221 PolarHBondContact OG-OE2 3Å
213K80.9Confident81.3Confident184 Ų18445.7 Ų45.780%0.826%0.259SS*.  trans54.534.8-175.9-59.6-177.8-178.71780112.6D210 V211 G215D210-K213 PolarHBondContact O-N 2.8Å; D210-K213 VanDerWaalsContact O-N 3.09Å; D210-K213 WeakPolarHBondContact OD1-CA 3.42Å; D210-K213 PolarHBondContact OD1-N 3.42Å; D210-K213 WeakPolarHBondContact OD2-CA 3.2Å; V211-K213 PolarHBondContact O-N 3.21Å; K213-G215 VanDerWaalsContact C-N 3.34Å
214T80.2Confident81.2Confident76 Ų7641.2 Ų41.247%0.46624%0.238SC..SBendtrans-85.5-12.4-179.2620000112D210 S212 A216D210-T214 PolarHBondContact OD1-N 3.21Å; D210-T214 PolarHBondContact OD2-N 2.91Å; S212-T214 PolarHBondContact O-N 3.27Å; S212-T214 VanDerWaalsContact OG-CG2 3.3Å; S212-T214 WeakPolarHBondContact OG-CG2 3.31Å; S212-T214 PolarHBondContact OG-OG1 3.46Å; T214-A216 PolarHBondContact OG1-N 3.39Å; T214-A216 PolarHBondContact OG1-O 2.92Å
215G80.8Confident81.3Confident37 Ų3735.7 Ų35.738%0.38121%0.214SC..SBendtrans78.97.4-173.700000113.5F206 D210 K213 K263F206-G215 WeakPolarHBondContact CZ-O 3.41Å; D210-G215 WeakPolarHBondContact OD2-CA 3.25Å; D210-G215 PolarHBondContact OD2-N 3.47Å; K213-G215 VanDerWaalsContact C-N 3.34Å; G215-K263 PolarHBondContact O-N 3.47Å
216A84.1Confident81.4Confident9 Ų934.6 Ų34.67%0.07421%0.209CC..EExtended strand (participates in β ladder)trans-139.3141.3174.900000109T214 K260 I261 Q262T214-A216 PolarHBondContact OG1-N 3.39Å; T214-A216 PolarHBondContact OG1-O 2.92Å; A216-K260 HydrophobicContact CB-CB 4Å; A216-K260 HydrophobicContact CB-CD 4.34Å; A216-I261 CarbonylContact C-O 3.59Å; A216-I261 WeakPolarHBondContact CA-O 3.48Å; A216-Q262 HydrophobicContact CB-CG 4.16Å
217L84Confident81.3Confident0 Ų034.3 Ų34.30%021%0.207CC..EExtended strand (participates in β ladder)trans-82.5122.9172.1-57.3179.7000108.3F206 D210 E221 V222 F225 K260 I261 L266F206-L217 HydrophobicContact CD2-CD1 4.35Å; F206-L217 HydrophobicContact CD2-CG 4.3Å; F206-L217 HydrophobicContact CE2-CD1 4.14Å; F206-L217 HydrophobicContact CE2-CD2 4.19Å; F206-L217 HydrophobicContact CE2-CG 3.73Å; F206-L217 HydrophobicContact CZ-CD2 4.21Å; F206-L217 HydrophobicContact CZ-CG 4.04Å; D210-L217 HydrophobicContact CB-CD2 3.98Å; L217-E221 HydrophobicContact CB-CB 4.27Å; L217-E221 HydrophobicContact CD2-CB 4.23Å; L217-V222 HydrophobicContact CB-CG2 3.9Å; L217-V222 WeakPolarHBondContact O-CG2 3.08Å; L217-F225 HydrophobicContact CD1-CB 4.21Å; L217-F225 HydrophobicContact CD1-CD2 4.47Å; L217-F225 HydrophobicContact CD1-CG 4.19Å; L217-K260 WeakPolarHBondContact O-CA 3.35Å; L217-I261 HydrophobicContact CB-CB 4.47Å; L217-I261 PolarHBondContact N-O 2.95Å; L217-I261 PolarHBondContact O-N 3.28Å; L217-L266 HydrophobicContact CD1-CD2 4.06Å
218E83.1Confident80.9Confident62 Ų6231.2 Ų31.229%0.2918%0.181SC..EExtended strand (participates in β ladder)trans-128.5145.5-179.962.9-179.4-166.700113.5P220 E221 K260E218-P220 VanDerWaalsContact O-CD 3.24Å; E218-P220 WeakPolarHBondContact O-CD 3.3Å; E218-P220 VanDerWaalsContact O-N 3.07Å; E218-E221 PolarHBondContact N-OE2 2.78Å; E218-E221 WeakPolarHBondContact O-CB 3.39Å; E218-E221 PolarHBondContact O-N 2.71Å; E218-K260 HydrophobicContact CB-CB 4.44Å; E218-K260 HydrophobicContact CB-CD 4.26Å; E218-K260 HydrophobicContact CB-CG 4.04Å; E218-K260 WeakPolarHBondContact OE2-CD 3.28Å; E218-K260 WeakPolarHBondContact OE2-CE 3.32Å; E218-K260 IonicContact OE2-NZ 2.66Å; E218-K260 PolarHBondContact OE2-NZ 3.14Å
219G81.9Confident80.6Confident25 Ų2531.3 Ų31.326%0.25818%0.182SC..THydrogen-bonded Turntrans49-112.917600000113.4E221 V222 D223G219-E221 PolarHBondContact O-N 2.95Å; G219-V222 WeakPolarHBondContact O-CB 3.16Å; G219-V222 PolarHBondContact O-N 2.99Å; G219-D223 PolarHBondContact O-N 3.18Å
220P79.6Confident80.3Confident38 Ų3831.9 Ų31.925%0.24719%0.185CC..Hα-helixtrans-67.6-20-176.729.2-35.1000114.1M111 Q112 E218 D223 G224M111-P220 HydrophobicContact CB-CB 4.37Å; Q112-P220 HydrophobicContact CB-CB 4.28Å; Q112-P220 HydrophobicContact CG-CB 3.54Å; Q112-P220 HydrophobicContact CG-CG 3.47Å; Q112-P220 VanDerWaalsContact CG-CG 3.47Å; E218-P220 VanDerWaalsContact O-CD 3.24Å; E218-P220 WeakPolarHBondContact O-CD 3.3Å; E218-P220 VanDerWaalsContact O-N 3.07Å; P220-D223 PolarHBondContact O-N 3.05Å; P220-G224 PolarHBondContact O-N 2.79Å
221E84Confident79.6Confident6 Ų633.3 Ų33.33%0.02819%0.191CC..Hα-helixtrans-70.5-40174.6-59.2175.9153.800110.8V108 Y209 V211 S212 L217 E218 G219 D223 G224 F225V108-E221 HydrophobicContact CG1-CG 3.97Å; Y209-E221 WeakPolarHBondContact O-CB 3.17Å; Y209-E221 VanDerWaalsContact O-CG 3.22Å; Y209-E221 WeakPolarHBondContact O-CG 3.46Å; V211-E221 PolarHBondContact N-OE1 2.95Å; S212-E221 WeakPolarHBondContact CB-OE1 3.4Å; S212-E221 PolarHBondContact N-OE1 3.21Å; S212-E221 PolarHBondContact OG-OE1 3.42Å; S212-E221 PolarHBondContact OG-OE2 3Å; L217-E221 HydrophobicContact CB-CB 4.27Å; L217-E221 HydrophobicContact CD2-CB 4.23Å; E218-E221 PolarHBondContact N-OE2 2.78Å; E218-E221 WeakPolarHBondContact O-CB 3.39Å; E218-E221 PolarHBondContact O-N 2.71Å; G219-E221 PolarHBondContact O-N 2.95Å; E221-D223 VanDerWaalsContact C-N 3.32Å; E221-G224 PolarHBondContact O-N 2.98Å; E221-F225 WeakPolarHBondContact O-CB 3.22Å; E221-F225 PolarHBondContact O-N 3.16Å
222V82.9Confident79.1Confident0 Ų032.8 Ų32.80%019%0.186CC..Hα-helixtrans-63.4-43.1172.3-178.90000110.1L217 G219 G224 F225 V226 R246 I261L217-V222 HydrophobicContact CB-CG2 3.9Å; L217-V222 WeakPolarHBondContact O-CG2 3.08Å; G219-V222 WeakPolarHBondContact O-CB 3.16Å; G219-V222 PolarHBondContact O-N 2.99Å; V222-G224 PolarHBondContact O-N 3.48Å; V222-F225 PolarHBondContact O-N 2.86Å; V222-V226 HydrophobicContact CG1-CG2 4.11Å; V222-V226 WeakPolarHBondContact O-CB 3.15Å; V222-V226 VanDerWaalsContact O-CG2 3.27Å; V222-V226 WeakPolarHBondContact O-CG2 3.32Å; V222-V226 PolarHBondContact O-N 3.5Å; V222-R246 HydrophobicContact CG1-CG 4.2Å; V222-I261 HydrophobicContact CB-CD1 4.23Å; V222-I261 HydrophobicContact CG1-CD1 3.51Å; V222-I261 HydrophobicContact CG2-CD1 3.76Å; V222-I261 HydrophobicContact CG2-CG1 4.35Å
223D80Confident78.5Confident2 Ų236 Ų361%0.01120%0.203CC..Hα-helixtrans-62.7-43.9-179.6-64.3-36.2000111.8M111 R115 G219 P220 E221 V226 K227 L242 R246M111-D223 HydrophobicContact CB-CB 3.98Å; M111-D223 HydrophobicContact CE-CB 3.58Å; M111-D223 HydrophobicContact CG-CB 3.96Å; R115-D223 WeakPolarHBondContact CG-OD2 3.48Å; R115-D223 IonicContact CZ-OD1 2.73Å; R115-D223 IonicContact CZ-OD2 3.53Å; R115-D223 IonicContact NE-OD1 3.51Å; R115-D223 IonicContact NE-OD2 2.74Å; R115-D223 PolarHBondContact NE-OD2 2.76Å; R115-D223 VanDerWaalsContact NH2-CG 3.33Å; R115-D223 IonicContact NH2-OD1 3.09Å; R115-D223 PolarHBondContact NH2-OD1 2.96Å; R115-D223 IonicContact NH2-OD2 2.68Å; R115-D223 PolarHBondContact NH2-OD2 3.2Å; G219-D223 PolarHBondContact O-N 3.18Å; P220-D223 PolarHBondContact O-N 3.05Å; E221-D223 VanDerWaalsContact C-N 3.32Å; D223-V226 PolarHBondContact O-N 2.84Å; D223-K227 VanDerWaalsContact O-CB 3.31Å; D223-K227 WeakPolarHBondContact O-CB 3.31Å; D223-K227 PolarHBondContact O-N 3.4Å; D223-L242 HydrophobicContact CB-CD2 4.24Å; D223-R246 WeakPolarHBondContact OD1-CD 3.42Å; D223-R246 IonicContact OD1-NE 3.39Å; D223-R246 PolarHBondContact OD1-NE 2.89Å; D223-R246 VanDerWaalsContact OD1-NE 3.14Å
224G78.4Confident77.7Confident0 Ų031.8 Ų31.80%019%0.186CC..Hα-helixtrans-61.8-43.9175.200000111.8P220 E221 V222 K227 D228P220-G224 PolarHBondContact O-N 2.79Å; E221-G224 PolarHBondContact O-N 2.98Å; V222-G224 PolarHBondContact O-N 3.48Å; G224-K227 PolarHBondContact O-N 3.08Å; G224-D228 WeakPolarHBondContact O-CB 3.08Å; G224-D228 PolarHBondContact O-N 3.2Å; G224-D228 VanDerWaalsContact O-N 3.1Å
225F81.3Confident76.8Confident8 Ų833.6 Ų33.64%0.03520%0.199CC..Hα-helixtrans-64-44.9177179.2-98.3000112.7I205 Y209 L217 E221 V222 M229 L249 L266I205-F225 HydrophobicContact CG2-CD2 4.25Å; I205-F225 HydrophobicContact CG2-CE2 3.87Å; Y209-F225 HydrophobicContact CD1-CB 4.12Å; Y209-F225 HydrophobicContact CD2-CB 4.41Å; Y209-F225 AromaticContact CD2-CD2 3.8Å; Y209-F225 HydrophobicContact CD2-CD2 3.8Å; Y209-F225 HydrophobicContact CE1-CB 4.33Å; Y209-F225 AromaticContact CE2-CD2 3.87Å; Y209-F225 HydrophobicContact CE2-CD2 3.87Å; Y209-F225 HydrophobicContact CG-CB 4.17Å; Y209-F225 HydrophobicContact CG-CD2 4.36Å; L217-F225 HydrophobicContact CD1-CB 4.21Å; L217-F225 HydrophobicContact CD1-CD2 4.47Å; L217-F225 HydrophobicContact CD1-CG 4.19Å; E221-F225 WeakPolarHBondContact O-CB 3.22Å; E221-F225 PolarHBondContact O-N 3.16Å; V222-F225 PolarHBondContact O-N 2.86Å; F225-M229 HydrophobicContact CE1-SD 4.21Å; F225-M229 HydrophobicContact CZ-SD 4.49Å; F225-M229 VanDerWaalsContact O-CB 3.31Å; F225-M229 WeakPolarHBondContact O-CB 3.02Å; F225-M229 PolarHBondContact O-N 3.37Å; F225-L249 HydrophobicContact CE1-CD1 4.38Å; F225-L266 HydrophobicContact CE1-CD1 3.73Å; F225-L266 HydrophobicContact CE1-CD2 4.27Å; F225-L266 HydrophobicContact CE2-CD2 4.21Å; F225-L266 HydrophobicContact CZ-CD1 3.95Å; F225-L266 HydrophobicContact CZ-CD2 3.95Å; F225-L266 HydrophobicContact CZ-CG 4.43Å
226V80.9Confident75.9Confident0 Ų035 Ų350%020%0.203CC..Hα-helixtrans-64.3-44178.5169.90000110.8V222 D223 M229 M230 L242 F245 L249V222-V226 HydrophobicContact CG1-CG2 4.11Å; V222-V226 WeakPolarHBondContact O-CB 3.15Å; V222-V226 VanDerWaalsContact O-CG2 3.27Å; V222-V226 WeakPolarHBondContact O-CG2 3.32Å; V222-V226 PolarHBondContact O-N 3.5Å; D223-V226 PolarHBondContact O-N 2.84Å; V226-M229 PolarHBondContact O-N 3.32Å; V226-M230 HydrophobicContact CG1-CG 4.26Å; V226-M230 VanDerWaalsContact O-CB 3.31Å; V226-M230 WeakPolarHBondContact O-CB 3.48Å; V226-M230 VanDerWaalsContact O-CG 3.26Å; V226-M230 WeakPolarHBondContact O-CG 3.3Å; V226-M230 PolarHBondContact O-N 2.64Å; V226-L242 HydrophobicContact CG1-CG 4.29Å; V226-F245 HydrophobicContact CG1-CB 3.69Å; V226-L249 HydrophobicContact CG2-CD1 4.18Å
227K78.3Confident75.2Confident3 Ų334.7 Ų34.71%0.01320%0.2CC..Hα-helixtrans-55-55176.9-179-170.4159.4-64.10110.7F110 M111 D223 G224 M229 M230 E231 L242F110-K227 HydrophobicContact CD1-CD 4.37Å; F110-K227 HydrophobicContact CE1-CD 4.26Å; M111-K227 HydrophobicContact SD-CD 4.2Å; D223-K227 VanDerWaalsContact O-CB 3.31Å; D223-K227 WeakPolarHBondContact O-CB 3.31Å; D223-K227 PolarHBondContact O-N 3.4Å; G224-K227 PolarHBondContact O-N 3.08Å; K227-M229 VanDerWaalsContact C-N 3.35Å; K227-M229 PolarHBondContact O-N 3.49Å; K227-M230 PolarHBondContact O-N 3.46Å; K227-E231 WeakPolarHBondContact CE-OE1 3.43Å; K227-E231 IonicContact NZ-OE1 3.14Å; K227-E231 PolarHBondContact NZ-OE1 2.75Å; K227-E231 IonicContact NZ-OE2 3.69Å; K227-E231 PolarHBondContact NZ-OE2 3.09Å; K227-E231 PolarHBondContact O-N 3.29Å; K227-L242 HydrophobicContact CB-CD1 3.74Å; K227-L242 HydrophobicContact CG-CD1 4.31Å
228D76.1Confident74.9Confident3 Ų336.4 Ų36.42%0.01621%0.212CC..Hα-helixtrans-67.3-37.5-176.1-81.425.2000110.6N183 F184 L185 Y209 G224 M230 E231 L232N183-D228 WeakPolarHBondContact ND2-CA 3.34Å; N183-D228 PolarHBondContact ND2-O 3.28Å; N183-D228 WeakPolarHBondContact OD1-CB 3.49Å; N183-D228 PolarHBondContact OD1-OD2 3.42Å; F184-D228 PolarHBondContact N-OD2 3.01Å; L185-D228 HydrophobicContact CD1-CB 3.91Å; L185-D228 HydrophobicContact CG-CB 4.06Å; Y209-D228 WeakPolarHBondContact OH-CB 3.26Å; Y209-D228 VanDerWaalsContact OH-CG 3.23Å; Y209-D228 PolarHBondContact OH-OD2 3.29Å; G224-D228 WeakPolarHBondContact O-CB 3.08Å; G224-D228 PolarHBondContact O-N 3.2Å; G224-D228 VanDerWaalsContact O-N 3.1Å; D228-M230 VanDerWaalsContact C-N 3.33Å; D228-M230 PolarHBondContact O-N 2.91Å; D228-E231 PolarHBondContact O-N 2.83Å; D228-L232 PolarHBondContact O-N 3.28Å
229M73.9Confident74.4Confident56 Ų5633.5 Ų33.528%0.27620%0.199SC..Hα-helixtrans-64.1-39.1174.7-171.7-177.17300112.2L185 F225 V226 K227 L232 L249L185-M229 HydrophobicContact CD1-CB 4.06Å; F225-M229 HydrophobicContact CE1-SD 4.21Å; F225-M229 HydrophobicContact CZ-SD 4.49Å; F225-M229 VanDerWaalsContact O-CB 3.31Å; F225-M229 WeakPolarHBondContact O-CB 3.02Å; F225-M229 PolarHBondContact O-N 3.37Å; V226-M229 PolarHBondContact O-N 3.32Å; K227-M229 VanDerWaalsContact C-N 3.35Å; K227-M229 PolarHBondContact O-N 3.49Å; M229-L232 WeakPolarHBondContact O-CB 3.34Å; M229-L232 PolarHBondContact O-N 3.39Å; M229-L249 HydrophobicContact CE-CD1 3.83Å
230M73.1Confident74.3Confident12 Ų1234.9 Ų34.96%0.05920%0.203CC..Hα-helixtrans-72-37.3-179.8-77.5-59.8-51.400112.6V226 K227 D228 L232 V233 Q234 I237 F245V226-M230 HydrophobicContact CG1-CG 4.26Å; V226-M230 VanDerWaalsContact O-CB 3.31Å; V226-M230 WeakPolarHBondContact O-CB 3.48Å; V226-M230 VanDerWaalsContact O-CG 3.26Å; V226-M230 WeakPolarHBondContact O-CG 3.3Å; V226-M230 PolarHBondContact O-N 2.64Å; K227-M230 PolarHBondContact O-N 3.46Å; D228-M230 VanDerWaalsContact C-N 3.33Å; D228-M230 PolarHBondContact O-N 2.91Å; M230-L232 PolarHBondContact O-N 3.03Å; M230-V233 PolarHBondContact O-N 2.88Å; M230-Q234 PolarHBondContact O-N 3.38Å; M230-Q234 VanDerWaalsContact O-O 3.14Å; M230-I237 HydrophobicContact CB-CD1 3.49Å; M230-I237 VanDerWaalsContact CB-CD1 3.49Å; M230-I237 HydrophobicContact CE-CD1 4.02Å; M230-I237 HydrophobicContact CG-CD1 3.5Å; M230-I237 HydrophobicContact SD-CD1 4.5Å; M230-F245 HydrophobicContact CE-CD1 4.5Å; M230-F245 HydrophobicContact CE-CD2 3.77Å; M230-F245 HydrophobicContact CE-CE1 4.04Å; M230-F245 HydrophobicContact CE-CE2 3.25Å; M230-F245 HydrophobicContact CE-CG 4.39Å; M230-F245 HydrophobicContact CE-CZ 3.4Å; M230-F245 VanDerWaalsContact CE-CZ 3.4Å; M230-F245 HydrophobicContact CG-CB 4.49Å; M230-F245 HydrophobicContact CG-CD2 4.07Å; M230-F245 HydrophobicContact CG-CG 4.13Å; M230-F245 HydrophobicContact SD-CD1 3.67Å; M230-F245 HydrophobicContact SD-CD2 3.71Å; M230-F245 HydrophobicContact SD-CE1 3.61Å; M230-F245 HydrophobicContact SD-CE2 3.69Å; M230-F245 HydrophobicContact SD-CG 3.74Å; M230-F245 HydrophobicContact SD-CZ 3.64Å
231E70.7Confident74.4Confident46 Ų4635.6 Ų35.622%0.21520%0.204CC..Hα-helixtrans-61.1-23.2175-85.6177.1-170.300113.4N183 K227 D228 V233 Q234N183-E231 WeakPolarHBondContact ND2-CB 3.19Å; N183-E231 PolarHBondContact ND2-OE2 3.19Å; K227-E231 WeakPolarHBondContact CE-OE1 3.43Å; K227-E231 IonicContact NZ-OE1 3.14Å; K227-E231 PolarHBondContact NZ-OE1 2.75Å; K227-E231 IonicContact NZ-OE2 3.69Å; K227-E231 PolarHBondContact NZ-OE2 3.09Å; K227-E231 PolarHBondContact O-N 3.29Å; D228-E231 PolarHBondContact O-N 2.83Å; E231-V233 VanDerWaalsContact C-N 3.31Å; E231-Q234 WeakPolarHBondContact CA-O 3.32Å
232L67.1Low74.2Confident67 Ų6735.4 Ų35.435%0.35120%0.203SC..THydrogen-bonded Turntrans-67.7-30.7171.2-63.3175.6000113L185 L186 D228 M229 M230L185-L232 HydrophobicContact CB-CD1 3.86Å; L185-L232 HydrophobicContact CB-CD2 4.17Å; L185-L232 HydrophobicContact CB-CG 4.24Å; L185-L232 HydrophobicContact CD1-CD1 4.01Å; L186-L232 HydrophobicContact CD2-CD2 3.51Å; L186-L232 HydrophobicContact CG-CD2 4.02Å; D228-L232 PolarHBondContact O-N 3.28Å; M229-L232 WeakPolarHBondContact O-CB 3.34Å; M229-L232 PolarHBondContact O-N 3.39Å; M230-L232 PolarHBondContact O-N 3.03Å
233V66.4Low74.1Confident123 Ų12336.7 Ų36.775%0.74521%0.21SC*.THydrogen-bonded Turntrans-99.3-40.7-175.5-177.30000111M230 E231M230-V233 PolarHBondContact O-N 2.88Å; E231-V233 VanDerWaalsContact C-N 3.31Å
234Q64.6Low74.2Confident94 Ų9441.8 Ų41.844%0.43923%0.232SC..  trans-139.2115.2-178-174.8175.2-19.300109.8M230 E231 S236M230-Q234 PolarHBondContact O-N 3.38Å; M230-Q234 VanDerWaalsContact O-O 3.14Å; E231-Q234 WeakPolarHBondContact CA-O 3.32Å; Q234-S236 PolarHBondContact NE2-O 3.09Å; Q234-S236 VanDerWaalsContact NE2-O 3.09Å; Q234-S236 PolarHBondContact O-N 3.22Å
235P60.7Low74.3Confident114 Ų11445.2 Ų45.274%0.7425%0.247SC*.SBendtrans-70.8-5.1-171.725.9-33.4000115.1
236S62.3Low74.4Confident68 Ų6848 Ų4848%0.47626%0.257SS..  trans-138.5109.3177.362.20000109.4N172 Q234N172-S236 WeakPolarHBondContact OD1-CA 3.22Å; Q234-S236 PolarHBondContact NE2-O 3.09Å; Q234-S236 VanDerWaalsContact NE2-O 3.09Å; Q234-S236 PolarHBondContact O-N 3.22Å
237I70.8Confident74.4Confident2 Ų253.1 Ų53.11%0.0128%0.282CS..  trans-115.6130.3179.5-173.6166.5000109.8L171 N172 M230 D241 L242 F245L171-I237 HydrophobicContact CD2-CG2 4.44Å; N172-I237 VanDerWaalsContact CG-O 3.26Å; N172-I237 PolarHBondContact ND2-O 2.87Å; N172-I237 PolarHBondContact OD1-N 3.41Å; N172-I237 VanDerWaalsContact OD1-N 3.08Å; N172-I237 PolarHBondContact OD1-O 2.86Å; N172-I237 VanDerWaalsContact OD1-O 3.11Å; M230-I237 HydrophobicContact CB-CD1 3.49Å; M230-I237 VanDerWaalsContact CB-CD1 3.49Å; M230-I237 HydrophobicContact CE-CD1 4.02Å; M230-I237 HydrophobicContact CG-CD1 3.5Å; M230-I237 HydrophobicContact SD-CD1 4.5Å; I237-D241 HydrophobicContact CD1-CB 4.24Å; I237-D241 HydrophobicContact CG1-CB 3.79Å; I237-L242 HydrophobicContact CD1-CB 4.28Å; I237-F245 HydrophobicContact CD1-CD2 3.92Å; I237-F245 HydrophobicContact CD1-CE2 4.41Å
238S75.8Confident74.6Confident35 Ų3556.9 Ų56.925%0.24530%0.301CS..  trans-75.4153.7174.874.20000110.5V240 D241 L242S238-V240 PolarHBondContact O-N 3Å; S238-D241 PolarHBondContact O-N 2.88Å; S238-D241 PolarHBondContact OG-N 3.18Å; S238-D241 VanDerWaalsContact OG-N 3.14Å; S238-D241 PolarHBondContact OG-OD2 3.09Å; S238-L242 PolarHBondContact O-N 3.4Å
239G74Confident74.8Confident2 Ų257.7 Ų57.72%0.02131%0.305CS..Hα-helixtrans-56.3-36.5175.200000112.5D241 L242 D243G239-D241 VanDerWaalsContact C-N 3.35Å; G239-D241 PolarHBondContact O-N 2.87Å; G239-L242 WeakPolarHBondContact O-CB 3.05Å; G239-L242 PolarHBondContact O-N 3.17Å; G239-D243 PolarHBondContact O-N 3.47Å
240V78.9Confident75.2Confident54 Ų5456.1 Ų56.133%0.32730%0.298SS..Hα-helixtrans-63.6-39175.7-178.10000112.1S238 D243 K244S238-V240 PolarHBondContact O-N 3Å; V240-D243 PolarHBondContact O-N 2.79Å; V240-K244 WeakPolarHBondContact O-CG 3.18Å; V240-K244 PolarHBondContact O-N 2.73Å; V240-K244 VanDerWaalsContact O-N 3.13Å
241D81.1Confident75.6Confident53 Ų5364.5 Ų64.528%0.28333%0.329SS..Hα-helixtrans-72.1-37.2176.7-63.3-38.9000110.8I237 S238 G239 D243 K244 F245I237-D241 HydrophobicContact CD1-CB 4.24Å; I237-D241 HydrophobicContact CG1-CB 3.79Å; S238-D241 PolarHBondContact O-N 2.88Å; S238-D241 PolarHBondContact OG-N 3.18Å; S238-D241 VanDerWaalsContact OG-N 3.14Å; S238-D241 PolarHBondContact OG-OD2 3.09Å; G239-D241 VanDerWaalsContact C-N 3.35Å; G239-D241 PolarHBondContact O-N 2.87Å; D241-D243 VanDerWaalsContact C-N 3.28Å; D241-D243 PolarHBondContact O-N 3.07Å; D241-K244 PolarHBondContact O-N 2.85Å; D241-K244 IonicContact OD1-NZ 3.02Å; D241-K244 PolarHBondContact OD1-NZ 3.26Å; D241-K244 VanDerWaalsContact OD1-NZ 3.09Å; D241-F245 HydrophobicContact CB-CD2 4.41Å; D241-F245 HydrophobicContact CB-CE2 4.46Å; D241-F245 WeakPolarHBondContact O-CB 3.32Å; D241-F245 WeakPolarHBondContact O-CD2 3.48Å; D241-F245 PolarHBondContact O-N 3.46Å
242L80.9Confident75.8Confident2 Ų268.9 Ų68.91%0.0135%0.349CS..Hα-helixtrans-56.4-43.5172.2-173.2149.8000111.1M111 L171 D223 V226 K227 I237 S238 G239 F245 R246M111-L242 HydrophobicContact CE-CD1 3.81Å; M111-L242 HydrophobicContact CE-CD2 3.98Å; M111-L242 HydrophobicContact SD-CD1 4.46Å; L171-L242 HydrophobicContact CD2-CB 4.44Å; L171-L242 HydrophobicContact CD2-CD1 3.56Å; D223-L242 HydrophobicContact CB-CD2 4.24Å; V226-L242 HydrophobicContact CG1-CG 4.29Å; K227-L242 HydrophobicContact CB-CD1 3.74Å; K227-L242 HydrophobicContact CG-CD1 4.31Å; I237-L242 HydrophobicContact CD1-CB 4.28Å; S238-L242 PolarHBondContact O-N 3.4Å; G239-L242 WeakPolarHBondContact O-CB 3.05Å; G239-L242 PolarHBondContact O-N 3.17Å; L242-F245 PolarHBondContact O-N 2.94Å; L242-R246 VanDerWaalsContact O-CB 3.26Å; L242-R246 WeakPolarHBondContact O-CB 3.38Å; L242-R246 PolarHBondContact O-N 3.47Å
243D80.8Confident76.2Confident26 Ų2666 Ų6614%0.13934%0.335CS..Hα-helixtrans-64-42.7176.1-77.3-33.5000113.3R115 S121 G239 V240 D241 F245 R246 E247R115-D243 IonicContact CZ-OD1 2.8Å; R115-D243 IonicContact NH1-OD1 3.59Å; R115-D243 PolarHBondContact NH1-OD1 3.3Å; R115-D243 IonicContact NH1-OD2 2.93Å; R115-D243 IonicContact NH2-OD1 3.55Å; R115-D243 PolarHBondContact NH2-OD1 3.01Å; S121-D243 WeakPolarHBondContact CB-OD2 3.11Å; G239-D243 PolarHBondContact O-N 3.47Å; V240-D243 PolarHBondContact O-N 2.79Å; D241-D243 VanDerWaalsContact C-N 3.28Å; D241-D243 PolarHBondContact O-N 3.07Å; D243-F245 PolarHBondContact O-N 2.85Å; D243-R246 WeakPolarHBondContact O-CB 3.25Å; D243-R246 PolarHBondContact O-N 3.2Å; D243-E247 PolarHBondContact O-N 2.87Å
244K82.6Confident76.9Confident109 Ų10961.2 Ų61.247%0.47430%0.304SS..Hα-helixtrans-62.3-43.9174.2-69.1170.7-165.7153.40111.4V240 D241 E247 I248V240-K244 WeakPolarHBondContact O-CG 3.18Å; V240-K244 PolarHBondContact O-N 2.73Å; V240-K244 VanDerWaalsContact O-N 3.13Å; D241-K244 PolarHBondContact O-N 2.85Å; D241-K244 IonicContact OD1-NZ 3.02Å; D241-K244 PolarHBondContact OD1-NZ 3.26Å; D241-K244 VanDerWaalsContact OD1-NZ 3.09Å; K244-E247 PolarHBondContact O-N 2.96Å; K244-I248 WeakPolarHBondContact O-CD1 3.45Å; K244-I248 WeakPolarHBondContact O-CG1 3.1Å; K244-I248 PolarHBondContact O-N 3.33Å
245F80.1Confident77.4Confident73 Ų7362.2 Ų62.232%0.3232%0.317SS..Hα-helixtrans-67.1-39.7179.5-83.4-69.1000111.7V226 M230 I237 D241 L242 D243 I248 L249V226-F245 HydrophobicContact CG1-CB 3.69Å; M230-F245 HydrophobicContact CE-CD1 4.5Å; M230-F245 HydrophobicContact CE-CD2 3.77Å; M230-F245 HydrophobicContact CE-CE1 4.04Å; M230-F245 HydrophobicContact CE-CE2 3.25Å; M230-F245 HydrophobicContact CE-CG 4.39Å; M230-F245 HydrophobicContact CE-CZ 3.4Å; M230-F245 VanDerWaalsContact CE-CZ 3.4Å; M230-F245 HydrophobicContact CG-CB 4.49Å; M230-F245 HydrophobicContact CG-CD2 4.07Å; M230-F245 HydrophobicContact CG-CG 4.13Å; M230-F245 HydrophobicContact SD-CD1 3.67Å; M230-F245 HydrophobicContact SD-CD2 3.71Å; M230-F245 HydrophobicContact SD-CE1 3.61Å; M230-F245 HydrophobicContact SD-CE2 3.69Å; M230-F245 HydrophobicContact SD-CG 3.74Å; M230-F245 HydrophobicContact SD-CZ 3.64Å; I237-F245 HydrophobicContact CD1-CD2 3.92Å; I237-F245 HydrophobicContact CD1-CE2 4.41Å; D241-F245 HydrophobicContact CB-CD2 4.41Å; D241-F245 HydrophobicContact CB-CE2 4.46Å; D241-F245 WeakPolarHBondContact O-CB 3.32Å; D241-F245 WeakPolarHBondContact O-CD2 3.48Å; D241-F245 PolarHBondContact O-N 3.46Å; L242-F245 PolarHBondContact O-N 2.94Å; D243-F245 PolarHBondContact O-N 2.85Å; F245-I248 PolarHBondContact O-N 2.87Å; F245-L249 VanDerWaalsContact O-CB 3.24Å; F245-L249 WeakPolarHBondContact O-CB 3.39Å; F245-L249 PolarHBondContact O-N 3.32Å
246R82.4Confident78.2Confident65 Ų6560.8 Ų60.825%0.24530%0.303CS..Hα-helixtrans-56.8-49171-179.1-167.8-170.1-94.2-11.8111.1V222 D223 L242 D243 I248 L249 L250V222-R246 HydrophobicContact CG1-CG 4.2Å; D223-R246 WeakPolarHBondContact OD1-CD 3.42Å; D223-R246 IonicContact OD1-NE 3.39Å; D223-R246 PolarHBondContact OD1-NE 2.89Å; D223-R246 VanDerWaalsContact OD1-NE 3.14Å; L242-R246 VanDerWaalsContact O-CB 3.26Å; L242-R246 WeakPolarHBondContact O-CB 3.38Å; L242-R246 PolarHBondContact O-N 3.47Å; D243-R246 WeakPolarHBondContact O-CB 3.25Å; D243-R246 PolarHBondContact O-N 3.2Å; R246-I248 PolarHBondContact O-N 3.18Å; R246-L249 PolarHBondContact O-N 3.05Å; R246-L250 HydrophobicContact CG-CD1 4.13Å; R246-L250 WeakPolarHBondContact O-CB 3.25Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 3.01Å
247E82.8Confident78.9Confident109 Ų10966.2 Ų66.251%0.50932%0.318SS..Hα-helixtrans-61.1-43.3176.4-81.5-166.8-168.800112.6D243 K244 L249 R251D243-E247 PolarHBondContact O-N 2.87Å; K244-E247 PolarHBondContact O-N 2.96Å; E247-L249 VanDerWaalsContact C-N 3.34Å; E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 2.81Å; E247-R251 IonicContact OE2-NH2 2.59Å; E247-R251 PolarHBondContact OE2-NH2 3.32Å
248I81.8Confident79.3Confident82 Ų8269.7 Ų69.742%0.42134%0.337SS..Hα-helixtrans-62.5-45.2177.9-69.9163.5000109.7K244 F245 R246 R251 H252K244-I248 WeakPolarHBondContact O-CD1 3.45Å; K244-I248 WeakPolarHBondContact O-CG1 3.1Å; K244-I248 PolarHBondContact O-N 3.33Å; F245-I248 PolarHBondContact O-N 2.87Å; R246-I248 PolarHBondContact O-N 3.18Å; I248-R251 PolarHBondContact O-N 3.25Å; I248-H252 PolarHBondContact O-N 2.89Å; I248-H252 VanDerWaalsContact O-N 3.09Å; I248-H252 PolarHBondContact O-ND1 3.46Å
249L80.3Confident79.3Confident20 Ų2069.6 Ų69.611%0.10534%0.341CS..Hα-helixtrans-68.1-42.9-176.9-162.6142.2000111.1F225 V226 M229 F245 R246 E247 R251 H252 C253 I261F225-L249 HydrophobicContact CE1-CD1 4.38Å; V226-L249 HydrophobicContact CG2-CD1 4.18Å; M229-L249 HydrophobicContact CE-CD1 3.83Å; F245-L249 VanDerWaalsContact O-CB 3.24Å; F245-L249 WeakPolarHBondContact O-CB 3.39Å; F245-L249 PolarHBondContact O-N 3.32Å; R246-L249 PolarHBondContact O-N 3.05Å; E247-L249 VanDerWaalsContact C-N 3.34Å; L249-R251 PolarHBondContact O-N 3.21Å; L249-H252 PolarHBondContact O-N 3.47Å; L249-C253 HydrophobicContact CD2-CB 4.46Å; L249-C253 VanDerWaalsContact O-CB 3.32Å; L249-C253 WeakPolarHBondContact O-CB 3.07Å; L249-C253 PolarHBondContact O-N 2.05Å; L249-I261 HydrophobicContact CD2-CD1 3.11Å; L249-I261 HydrophobicContact CD2-CG1 4.09Å
250L81.3Confident79.8Confident23 Ų2372.9 Ų72.912%0.1236%0.355CS..Hα-helixtrans-59.5-46.1169.4-71.3171000110.5R246 H252 C253 D254 I261R246-L250 HydrophobicContact CG-CD1 4.13Å; R246-L250 WeakPolarHBondContact O-CB 3.25Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 3.01Å; L250-H252 PolarHBondContact O-N 3.48Å; L250-H252 VanDerWaalsContact O-N 3.08Å; L250-C253 PolarHBondContact O-N 3.25Å; L250-D254 HydrophobicContact CB-CB 4.34Å; L250-D254 HydrophobicContact CD2-CB 4.1Å; L250-D254 WeakPolarHBondContact O-CA 3.36Å; L250-D254 WeakPolarHBondContact O-CB 3.41Å; L250-D254 PolarHBondContact O-N 3.09Å; L250-I261 HydrophobicContact CD2-CD1 4.28Å; L250-I261 HydrophobicContact CD2-CG1 3.86Å
251R81.7Confident80Confident187 Ų18770.3 Ų70.371%0.70634%0.339SS*.Hα-helixtrans-58.5-29.4179.5-122.6-179.9-85.8177.8-6.6114.4E247 I248 L249E247-R251 WeakPolarHBondContact O-CB 3.43Å; E247-R251 PolarHBondContact O-N 2.81Å; E247-R251 IonicContact OE2-NH2 2.59Å; E247-R251 PolarHBondContact OE2-NH2 3.32Å; I248-R251 PolarHBondContact O-N 3.25Å; L249-R251 PolarHBondContact O-N 3.21Å
252H76.2Confident80.1Confident139 Ų13969.7 Ų69.764%0.64433%0.334SS*.Hα-helixtrans-97.8-32.1-177.4-69.983.6000113.5I248 L249 L250I248-H252 PolarHBondContact O-N 2.89Å; I248-H252 VanDerWaalsContact O-N 3.09Å; I248-H252 PolarHBondContact O-ND1 3.46Å; L249-H252 PolarHBondContact O-N 3.47Å; L250-H252 PolarHBondContact O-N 3.48Å; L250-H252 VanDerWaalsContact O-N 3.08Å
253C75.8Confident80.2Confident7 Ų772.3 Ų72.35%0.04735%0.346CS..Hα-helixtrans-104.9-30.9-174.5-550000113.2L249 L250 V255 I261 E265 C269L249-C253 HydrophobicContact CD2-CB 4.46Å; L249-C253 VanDerWaalsContact O-CB 3.32Å; L249-C253 WeakPolarHBondContact O-CB 3.07Å; L249-C253 PolarHBondContact O-N 2.05Å; L250-C253 PolarHBondContact O-N 3.25Å; C253-V255 VanDerWaalsContact C-N 3.35Å; C253-V255 PolarHBondContact O-N 2.96Å; C253-I261 HydrophobicContact CB-CG2 4.2Å; C253-E265 VanDerWaalsContact O-CB 3.25Å; C253-E265 WeakPolarHBondContact O-CB 3.17Å; C253-E265 WeakPolarHBondContact O-CG 3.38Å; C253-C269 WeakPolarHBondContact CA-SG 3.35Å; C253-C269 HydrophobicContact CB-CB 4.37Å; C253-C269 WeakPolarHBondContact CB-SG 3.1Å; C253-C269 WeakPolarHBondContact SG-CB 3.43Å; C253-C269 CovalentContact SG-SG 2.05Å; C253-C269 PolarHBondContact SG-SG 3.35Å
254D80.3Confident80Confident21 Ų2174.1 Ų74.111%0.11236%0.361CS..  trans-77.682.9177.9-178.28.2000110L250 N256 K257 D258 G259L250-D254 HydrophobicContact CB-CB 4.34Å; L250-D254 HydrophobicContact CD2-CB 4.1Å; L250-D254 WeakPolarHBondContact O-CA 3.36Å; L250-D254 WeakPolarHBondContact O-CB 3.41Å; L250-D254 PolarHBondContact O-N 3.09Å; D254-N256 PolarHBondContact OD1-OD1 3.39Å; D254-K257 VanDerWaalsContact CG-CA 3.45Å; D254-K257 WeakPolarHBondContact OD1-CA 3.16Å; D254-K257 PolarHBondContact OD1-N 3.09Å; D254-K257 VanDerWaalsContact OD2-CA 3.32Å; D254-K257 WeakPolarHBondContact OD2-CA 3.49Å; D254-D258 PolarHBondContact OD1-N 2.96Å; D254-D258 PolarHBondContact OD2-N 3.44Å; D254-G259 VanDerWaalsContact OD2-CA 3.3Å; D254-G259 WeakPolarHBondContact OD2-CA 3.48Å; D254-G259 PolarHBondContact OD2-N 3.36Å
255V75.8Confident79.8Confident115 Ų11569.6 Ų69.670%0.69734%0.341SS*.SBendtrans-73.7-36.2-176.7179.30000110.2C253 K257 E265C253-V255 VanDerWaalsContact C-N 3.35Å; C253-V255 PolarHBondContact O-N 2.96Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-E265 WeakPolarHBondContact CB-OE1 3.49Å; V255-E265 HydrophobicContact CG2-CG 4.49Å; V255-E265 PolarHBondContact N-OE1 3.05Å
256N76.5Confident79.7Confident84 Ų8466.2 Ų66.245%0.44933%0.326SS..SBendtrans-85.6-6.3-178.572.8-4.6000113.6D254 D258 Q262D254-N256 PolarHBondContact OD1-OD1 3.39Å; N256-D258 VanDerWaalsContact ND2-CG 3.26Å; N256-D258 PolarHBondContact ND2-OD2 3.32Å; N256-D258 PolarHBondContact O-N 3.11Å; N256-D258 WeakPolarHBondContact OD1-CB 3.48Å; N256-D258 PolarHBondContact OD1-N 3.24Å; N256-D258 PolarHBondContact OD1-OD1 2.95Å; N256-D258 VanDerWaalsContact OD1-OD1 3.09Å; N256-D258 PolarHBondContact OD1-OD2 2.96Å; N256-Q262 PolarHBondContact ND2-NE2 3.27Å; N256-Q262 PolarHBondContact ND2-OE1 2.92Å; N256-Q262 PolarHBondContact OD1-NE2 3.16Å
257K77.3Confident79.3Confident183 Ų18363.1 Ų63.180%0.79632%0.315SS*.  trans59.331.9179.3-59.7-175.1179.1-178.40113.2D254 V255 G259D254-K257 VanDerWaalsContact CG-CA 3.45Å; D254-K257 WeakPolarHBondContact OD1-CA 3.16Å; D254-K257 PolarHBondContact OD1-N 3.09Å; D254-K257 VanDerWaalsContact OD2-CA 3.32Å; D254-K257 WeakPolarHBondContact OD2-CA 3.49Å; V255-K257 VanDerWaalsContact C-N 3.34Å; K257-G259 VanDerWaalsContact C-N 3.3Å
258D79.1Confident78.7Confident75 Ų7564 Ų6440%0.40132%0.322SS..SBendtrans-87.7-1.7178.675.53.6000113D254 N256 K260 Q262D254-D258 PolarHBondContact OD1-N 2.96Å; D254-D258 PolarHBondContact OD2-N 3.44Å; N256-D258 VanDerWaalsContact ND2-CG 3.26Å; N256-D258 PolarHBondContact ND2-OD2 3.32Å; N256-D258 PolarHBondContact O-N 3.11Å; N256-D258 WeakPolarHBondContact OD1-CB 3.48Å; N256-D258 PolarHBondContact OD1-N 3.24Å; N256-D258 PolarHBondContact OD1-OD1 2.95Å; N256-D258 VanDerWaalsContact OD1-OD1 3.09Å; N256-D258 PolarHBondContact OD1-OD2 2.96Å; D258-K260 PolarHBondContact O-N 3.02Å; D258-K260 WeakPolarHBondContact OD1-CA 3.23Å; D258-K260 WeakPolarHBondContact OD1-CB 3.42Å; D258-K260 WeakPolarHBondContact OD1-CG 3.4Å; D258-K260 PolarHBondContact OD1-N 3.07Å; D258-Q262 PolarHBondContact OD1-NE2 2.92Å; D258-Q262 PolarHBondContact OD2-NE2 3.21Å
259G76.4Confident78Confident32 Ų3263 Ų6333%0.3332%0.322SS..SBendtrans75.911.2-178.600000113.5D254 K257D254-G259 VanDerWaalsContact OD2-CA 3.3Å; D254-G259 WeakPolarHBondContact OD2-CA 3.48Å; D254-G259 PolarHBondContact OD2-N 3.36Å; K257-G259 VanDerWaalsContact C-N 3.3Å
260K83.7Confident77.3Confident72 Ų7265.9 Ų65.931%0.31334%0.337SS..EExtended strand (participates in β ladder)trans-120.1153.2177.6-43.6-174.2-175.5-157.20109A216 L217 E218 D258 Q262A216-K260 HydrophobicContact CB-CB 4Å; A216-K260 HydrophobicContact CB-CD 4.34Å; L217-K260 WeakPolarHBondContact O-CA 3.35Å; E218-K260 HydrophobicContact CB-CB 4.44Å; E218-K260 HydrophobicContact CB-CD 4.26Å; E218-K260 HydrophobicContact CB-CG 4.04Å; E218-K260 WeakPolarHBondContact OE2-CD 3.28Å; E218-K260 WeakPolarHBondContact OE2-CE 3.32Å; E218-K260 IonicContact OE2-NZ 2.66Å; E218-K260 PolarHBondContact OE2-NZ 3.14Å; D258-K260 PolarHBondContact O-N 3.02Å; D258-K260 WeakPolarHBondContact OD1-CA 3.23Å; D258-K260 WeakPolarHBondContact OD1-CB 3.42Å; D258-K260 WeakPolarHBondContact OD1-CG 3.4Å; D258-K260 PolarHBondContact OD1-N 3.07Å; K260-Q262 PolarHBondContact O-NE2 2.78Å
261I82.9Confident76.3Confident0 Ų067.8 Ų67.80%036%0.362CS..EExtended strand (participates in β ladder)trans-108.3105.2176.4-56.2159.5000107.2A216 L217 V222 L249 L250 C253 L266A216-I261 CarbonylContact C-O 3.59Å; A216-I261 WeakPolarHBondContact CA-O 3.48Å; L217-I261 HydrophobicContact CB-CB 4.47Å; L217-I261 PolarHBondContact N-O 2.95Å; L217-I261 PolarHBondContact O-N 3.28Å; V222-I261 HydrophobicContact CB-CD1 4.23Å; V222-I261 HydrophobicContact CG1-CD1 3.51Å; V222-I261 HydrophobicContact CG2-CD1 3.76Å; V222-I261 HydrophobicContact CG2-CG1 4.35Å; L249-I261 HydrophobicContact CD2-CD1 3.11Å; L249-I261 HydrophobicContact CD2-CG1 4.09Å; L250-I261 HydrophobicContact CD2-CD1 4.28Å; L250-I261 HydrophobicContact CD2-CG1 3.86Å; C253-I261 HydrophobicContact CB-CG2 4.2Å; I261-L266 HydrophobicContact CG2-CB 3.76Å; I261-L266 HydrophobicContact CG2-CD1 4.15Å; I261-L266 HydrophobicContact CG2-CG 4.44Å
262Q84.7Confident75.1Confident39 Ų3959.2 Ų59.218%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-72.5152.9177.9-58.5105.250.700110.6A216 N256 D258 K260 S264 E265 L266A216-Q262 HydrophobicContact CB-CG 4.16Å; N256-Q262 PolarHBondContact ND2-NE2 3.27Å; N256-Q262 PolarHBondContact ND2-OE1 2.92Å; N256-Q262 PolarHBondContact OD1-NE2 3.16Å; D258-Q262 PolarHBondContact OD1-NE2 2.92Å; D258-Q262 PolarHBondContact OD2-NE2 3.21Å; K260-Q262 PolarHBondContact O-NE2 2.78Å; Q262-S264 PolarHBondContact O-N 3.37Å; Q262-S264 VanDerWaalsContact O-N 3.16Å; Q262-E265 HydrophobicContact CB-CG 4.25Å; Q262-E265 VanDerWaalsContact CD-CD 3.46Å; Q262-E265 PolarHBondContact N-OE2 3.39Å; Q262-E265 PolarHBondContact NE2-OE2 3.29Å; Q262-E265 WeakPolarHBondContact O-CB 3.43Å; Q262-E265 PolarHBondContact O-N 3.25Å; Q262-E265 PolarHBondContact OE1-OE1 2.95Å; Q262-E265 VanDerWaalsContact OE1-OE1 3.11Å; Q262-E265 PolarHBondContact OE1-OE2 2.92Å; Q262-E265 VanDerWaalsContact OE1-OE2 3.05Å; Q262-L266 PolarHBondContact O-N 3.48Å
263K81.8Confident73.6Confident58 Ų5860.6 Ų60.625%0.25234%0.335SS..Hα-helixtrans-53.1-39.5179-172.1179.6174.2-168.30113.5F202 E203 F206 G215 A267 I274F202-K263 HydrophobicContact CE1-CG 3.73Å; F202-K263 HydrophobicContact CZ-CG 4.11Å; E203-K263 IonicContact OE1-NZ 3.7Å; E203-K263 PolarHBondContact OE1-NZ 3.08Å; E203-K263 WeakPolarHBondContact OE2-CE 3.42Å; E203-K263 IonicContact OE2-NZ 2.75Å; E203-K263 PolarHBondContact OE2-NZ 3.38Å; F206-K263 HydrophobicContact CD1-CB 4.39Å; F206-K263 HydrophobicContact CD1-CD 4.19Å; F206-K263 HydrophobicContact CD1-CG 4.2Å; F206-K263 HydrophobicContact CD2-CB 4.22Å; F206-K263 HydrophobicContact CD2-CG 4.06Å; F206-K263 HydrophobicContact CE1-CB 3.95Å; F206-K263 HydrophobicContact CE1-CD 4.37Å; F206-K263 HydrophobicContact CE1-CG 4.26Å; F206-K263 VanDerWaalsContact CE2-CA 3.48Å; F206-K263 HydrophobicContact CE2-CB 3.76Å; F206-K263 HydrophobicContact CE2-CG 4.12Å; F206-K263 HydrophobicContact CG-CD 4.45Å; F206-K263 HydrophobicContact CG-CG 4.1Å; F206-K263 HydrophobicContact CZ-CB 3.61Å; F206-K263 HydrophobicContact CZ-CG 4.22Å; G215-K263 PolarHBondContact O-N 3.47Å; K263-A267 VanDerWaalsContact O-CB 3.28Å; K263-A267 WeakPolarHBondContact O-CB 3.49Å; K263-A267 PolarHBondContact O-N 2.88Å; K263-A267 VanDerWaalsContact O-N 3.09Å; K263-I274 HydrophobicContact CG-CD1 4.41Å
264S77.3Confident72.1Confident64 Ų6463.3 Ų63.345%0.44835%0.348SS..Hα-helixtrans-64.4-39.2176.145.70000112.7Q262 L268Q262-S264 PolarHBondContact O-N 3.37Å; Q262-S264 VanDerWaalsContact O-N 3.16Å; S264-L268 WeakPolarHBondContact O-CD1 3.45Å; S264-L268 WeakPolarHBondContact O-CG 3.34Å; S264-L268 PolarHBondContact O-N 3.28Å
265E78.1Confident70Confident13 Ų1368.8 Ų68.86%0.06138%0.377CS..Hα-helixtrans-71.4-46.2-179.4-67.6178.3141.500111.4C253 V255 Q262 A267 L268 C269C253-E265 VanDerWaalsContact O-CB 3.25Å; C253-E265 WeakPolarHBondContact O-CB 3.17Å; C253-E265 WeakPolarHBondContact O-CG 3.38Å; V255-E265 WeakPolarHBondContact CB-OE1 3.49Å; V255-E265 HydrophobicContact CG2-CG 4.49Å; V255-E265 PolarHBondContact N-OE1 3.05Å; Q262-E265 HydrophobicContact CB-CG 4.25Å; Q262-E265 VanDerWaalsContact CD-CD 3.46Å; Q262-E265 PolarHBondContact N-OE2 3.39Å; Q262-E265 PolarHBondContact NE2-OE2 3.29Å; Q262-E265 WeakPolarHBondContact O-CB 3.43Å; Q262-E265 PolarHBondContact O-N 3.25Å; Q262-E265 PolarHBondContact OE1-OE1 2.95Å; Q262-E265 VanDerWaalsContact OE1-OE1 3.11Å; Q262-E265 PolarHBondContact OE1-OE2 2.92Å; Q262-E265 VanDerWaalsContact OE1-OE2 3.05Å; E265-A267 VanDerWaalsContact C-N 3.26Å; E265-A267 PolarHBondContact O-N 3.43Å; E265-L268 WeakPolarHBondContact O-CB 3.44Å; E265-L268 PolarHBondContact O-N 2.89Å; E265-C269 PolarHBondContact O-N 3.43Å
266L77Confident68.4Low3 Ų372.6 Ų72.62%0.01640%0.404CS..Hα-helixtrans-61.7-39.1176.8-169.763.9000111.3F202 F206 L217 F225 I261 Q262 C269 L270F202-L266 HydrophobicContact CE2-CB 4.17Å; F202-L266 HydrophobicContact CE2-CD2 3.74Å; F202-L266 HydrophobicContact CE2-CG 3.83Å; F202-L266 HydrophobicContact CZ-CB 4.15Å; F202-L266 HydrophobicContact CZ-CD2 4.19Å; F202-L266 HydrophobicContact CZ-CG 4.3Å; F206-L266 HydrophobicContact CD2-CD2 3.99Å; F206-L266 HydrophobicContact CE2-CD2 4.32Å; L217-L266 HydrophobicContact CD1-CD2 4.06Å; F225-L266 HydrophobicContact CE1-CD1 3.73Å; F225-L266 HydrophobicContact CE1-CD2 4.27Å; F225-L266 HydrophobicContact CE2-CD2 4.21Å; F225-L266 HydrophobicContact CZ-CD1 3.95Å; F225-L266 HydrophobicContact CZ-CD2 3.95Å; F225-L266 HydrophobicContact CZ-CG 4.43Å; I261-L266 HydrophobicContact CG2-CB 3.76Å; I261-L266 HydrophobicContact CG2-CD1 4.15Å; I261-L266 HydrophobicContact CG2-CG 4.44Å; Q262-L266 PolarHBondContact O-N 3.48Å; L266-C269 PolarHBondContact O-N 3.01Å; L266-L270 HydrophobicContact CD1-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 4.07Å; L266-L270 WeakPolarHBondContact O-CB 3.17Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.36Å
267A74.4Confident68Low0 Ų072 Ų720%040%0.402CS..Hα-helixtrans-66.2-40.4176.900000112.9F202 K263 E265 L270 G271 L272 I274F202-A267 HydrophobicContact CE1-CB 4.08Å; F202-A267 HydrophobicContact CE2-CB 4.43Å; F202-A267 HydrophobicContact CZ-CB 3.87Å; K263-A267 VanDerWaalsContact O-CB 3.28Å; K263-A267 WeakPolarHBondContact O-CB 3.49Å; K263-A267 PolarHBondContact O-N 2.88Å; K263-A267 VanDerWaalsContact O-N 3.09Å; E265-A267 VanDerWaalsContact C-N 3.26Å; E265-A267 PolarHBondContact O-N 3.43Å; A267-L270 CarbonylContact O-C 3.57Å; A267-L270 PolarHBondContact O-N 2.73Å; A267-G271 PolarHBondContact O-N 2.59Å; A267-G271 VanDerWaalsContact O-N 3.14Å; A267-L272 CarbonylContact C-O 3.39Å; A267-L272 HydrophobicContact CB-CB 4.07Å; A267-L272 WeakPolarHBondContact O-CA 3.43Å; A267-L272 WeakPolarHBondContact O-CB 3.06Å; A267-L272 PolarHBondContact O-N 2.95Å; A267-L272 VanDerWaalsContact O-O 3.13Å; A267-I274 HydrophobicContact CB-CB 4.25Å; A267-I274 HydrophobicContact CB-CD1 3.11Å; A267-I274 HydrophobicContact CB-CG1 3.46Å; A267-I274 VanDerWaalsContact CB-CG1 3.46Å
268L71.6Confident67.6Low127 Ų12766.2 Ų66.267%0.66538%0.381SS*.Hα-helixtrans-60.8-45172.5-78.6160.6000111.2S264 E265 L270 G271S264-L268 WeakPolarHBondContact O-CD1 3.45Å; S264-L268 WeakPolarHBondContact O-CG 3.34Å; S264-L268 PolarHBondContact O-N 3.28Å; E265-L268 WeakPolarHBondContact O-CB 3.44Å; E265-L268 PolarHBondContact O-N 2.89Å; L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.05Å; L268-G271 PolarHBondContact O-N 3.08Å; L268-G271 VanDerWaalsContact O-N 3.08Å
269C65.8Low66.9Low62 Ų6265.7 Ų65.742%0.41938%0.38SS..Hα-helixtrans-60-36.3176-82.30000112.9C253 E265 L266 G271C253-C269 WeakPolarHBondContact CA-SG 3.35Å; C253-C269 HydrophobicContact CB-CB 4.37Å; C253-C269 WeakPolarHBondContact CB-SG 3.1Å; C253-C269 WeakPolarHBondContact SG-CB 3.43Å; C253-C269 CovalentContact SG-SG 2.05Å; C253-C269 PolarHBondContact SG-SG 3.35Å; E265-C269 PolarHBondContact O-N 3.43Å; L266-C269 PolarHBondContact O-N 3.01Å; C269-G271 VanDerWaalsContact C-N 3.29Å; C269-G271 PolarHBondContact O-N 3.3Å
270L65.9Low66.4Low79 Ų7967.6 Ų67.641%0.41438%0.383SS..THydrogen-bonded Turntrans-86.96.5177.5-65.5172.2000113.6F202 L266 A267 L268 L272F202-L270 HydrophobicContact CD2-CD1 3.77Å; F202-L270 HydrophobicContact CE2-CD1 3.78Å; L266-L270 HydrophobicContact CD1-CD1 4.45Å; L266-L270 HydrophobicContact CG-CD1 4.07Å; L266-L270 WeakPolarHBondContact O-CB 3.17Å; L266-L270 WeakPolarHBondContact O-CG 3.35Å; L266-L270 PolarHBondContact O-N 3.36Å; A267-L270 CarbonylContact O-C 3.57Å; A267-L270 PolarHBondContact O-N 2.73Å; L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 PolarHBondContact O-N 3.05Å; L270-L272 VanDerWaalsContact C-N 3.26Å; L270-L272 PolarHBondContact O-N 2.65Å
271G60.4Low65.3Low64 Ų6467.4 Ų67.466%0.6639%0.387SS*.THydrogen-bonded Turntrans71.517.217900000114.5A267 L268 C269A267-G271 PolarHBondContact O-N 2.59Å; A267-G271 VanDerWaalsContact O-N 3.14Å; L268-G271 PolarHBondContact O-N 3.08Å; L268-G271 VanDerWaalsContact O-N 3.08Å; C269-G271 VanDerWaalsContact C-N 3.29Å; C269-G271 PolarHBondContact O-N 3.3Å
272L56.7Low64.1Low6 Ų671.9 Ų71.93%0.03141%0.413CS..  trans-89113.3173.4-72.1172.2000109.7R198 K199 F202 A267 L270 I274R198-L272 HydrophobicContact CB-CD2 4.02Å; R198-L272 HydrophobicContact CG-CD1 4.27Å; R198-L272 HydrophobicContact CG-CD2 3.78Å; R198-L272 HydrophobicContact CG-CG 4.35Å; K199-L272 HydrophobicContact CG-CD2 4.08Å; F202-L272 HydrophobicContact CB-CD1 3.57Å; F202-L272 HydrophobicContact CD1-CD1 4.3Å; F202-L272 HydrophobicContact CD2-CD1 3.88Å; F202-L272 HydrophobicContact CG-CD1 3.64Å; A267-L272 CarbonylContact C-O 3.39Å; A267-L272 HydrophobicContact CB-CB 4.07Å; A267-L272 WeakPolarHBondContact O-CA 3.43Å; A267-L272 WeakPolarHBondContact O-CB 3.06Å; A267-L272 PolarHBondContact O-N 2.95Å; A267-L272 VanDerWaalsContact O-O 3.13Å; L270-L272 VanDerWaalsContact C-N 3.26Å; L270-L272 PolarHBondContact O-N 2.65Å; L272-I274 VanDerWaalsContact C-N 3.35Å; L272-I274 PolarHBondContact O-N 2.93Å
273K44.6Very low62.6Low169 Ų16974.2 Ų74.274%0.73543%0.43SS*.  trans-70.293.5165.1-76.6-175178179.60109.2K199K199-K273 WeakPolarHBondContact CE-O 3.2Å; K199-K273 PolarHBondContact NZ-O 3.41Å
274I44.2Very low61.2Low64 Ų6475.5 Ų75.533%0.32844%0.443SS..  trans-79.8112.5160.5-64.4-175.5000106F202 K263 A267 L272F202-I274 HydrophobicContact CD1-CD1 4.15Å; F202-I274 HydrophobicContact CE1-CD1 3.64Å; F202-I274 HydrophobicContact CZ-CD1 4.43Å; K263-I274 HydrophobicContact CG-CD1 4.41Å; A267-I274 HydrophobicContact CB-CB 4.25Å; A267-I274 HydrophobicContact CB-CD1 3.11Å; A267-I274 HydrophobicContact CB-CG1 3.46Å; A267-I274 VanDerWaalsContact CB-CG1 3.46Å; L272-I274 VanDerWaalsContact C-N 3.35Å; L272-I274 PolarHBondContact O-N 2.93Å
275N36.6Very low59.8Low136 Ų13676.4 Ų76.473%0.72744%0.443SS*.  trans-71.8139.9166.9-89.6-2.8000107.8
276P42.6Very low58.2Low194 Ų19482.2 Ų82.2100%1.2648%0.478SS*.  trans-60.50-179.627.5-35.3000112.8

Retrieved 276 of 276 residues in 63.8 ms (Link to these results)

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