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Acetylserotonin O-methyltransferase

Catalyzes the transfer of a methyl group onto N-acetylserotonin, producing melatonin (N-acetyl-5-methoxytryptamine). Does not show Acetylserotonin O-methyltransferase activity. Does not show Acetylserotonin O-methyltransferase activity.

AlphaFold DB , UniProt , Accession P46597, Species HUMAN (Homo sapiens, Human), Gene ASMT, Length 345 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
1M46.3Very low79.3Confident237 Ų237108.2 Ų108.2100%1.16756%0.563SS**  0119.50-70.7170.5-179.200106
2G57.3Low80.5Confident25 Ų25107.9 Ų107.926%0.25856%0.562SS.*  trans-59.5149.7176.400000109.9D6 Q7G2-D6 WeakPolarHBondContact CA-OD2 3.22Å; G2-Q7 PolarHBondContact O-NE2 2.72Å
3S70.1Confident81.5Confident54 Ų54103.6 Ų103.638%0.37854%0.54SS..  trans-54.8160.217666.70000110.2E5 D6 Q7S3-E5 PolarHBondContact O-N 2.78Å; S3-D6 PolarHBondContact N-OD2 3.48Å; S3-D6 WeakPolarHBondContact O-CB 3.31Å; S3-D6 PolarHBondContact O-N 2.69Å; S3-D6 VanDerWaalsContact OG-CG 3.27Å; S3-D6 PolarHBondContact OG-N 2.87Å; S3-D6 VanDerWaalsContact OG-N 3.1Å; S3-Q7 PolarHBondContact O-N 3.17Å; S3-Q7 VanDerWaalsContact O-N 3.15Å
4S78.6Confident82.4Confident97 Ų97104.1 Ų104.168%0.67854%0.543SS*.Hα-helixtrans-56.6-33.4172.949.80000111.8Q7 A8S4-Q7 PolarHBondContact O-N 2.75Å; S4-A8 PolarHBondContact O-N 2.75Å
5E75.2Confident83.2Confident154 Ų154107.7 Ų107.772%0.7255%0.549SS*.Hα-helixtrans-61.9-44.1173.9-64.7177.8167.400111.6S3 Q7 A8 Y9S3-E5 PolarHBondContact O-N 2.78Å; E5-Q7 VanDerWaalsContact C-N 3.28Å; E5-Q7 PolarHBondContact O-N 2.98Å; E5-A8 PolarHBondContact O-N 3.38Å; E5-Y9 PolarHBondContact O-N 3.46Å
6D86.6Confident83.9Confident73 Ų73104.6 Ų104.639%0.3954%0.544SS..Hα-helixtrans-61.6-37.4175.8-68.8-20.8000111.9G2 S3 R10G2-D6 WeakPolarHBondContact CA-OD2 3.22Å; S3-D6 PolarHBondContact N-OD2 3.48Å; S3-D6 WeakPolarHBondContact O-CB 3.31Å; S3-D6 PolarHBondContact O-N 2.69Å; S3-D6 VanDerWaalsContact OG-CG 3.27Å; S3-D6 PolarHBondContact OG-N 2.87Å; S3-D6 VanDerWaalsContact OG-N 3.1Å; D6-R10 WeakPolarHBondContact O-CB 3.21Å; D6-R10 WeakPolarHBondContact O-CG 3.48Å; D6-R10 PolarHBondContact O-N 3.27Å; D6-R10 IonicContact OD2-NH2 2.71Å
7Q88.2Confident84.6Confident118 Ų118102.4 Ų102.455%0.55153%0.533SS*.Hα-helixtrans-70.3-44.1179.8-66.617926.800111.6G2 S3 S4 E5 Y9 R10 L11G2-Q7 PolarHBondContact O-NE2 2.72Å; S3-Q7 PolarHBondContact O-N 3.17Å; S3-Q7 VanDerWaalsContact O-N 3.15Å; S4-Q7 PolarHBondContact O-N 2.75Å; E5-Q7 VanDerWaalsContact C-N 3.28Å; E5-Q7 PolarHBondContact O-N 2.98Å; Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.07Å; Q7-R10 PolarHBondContact O-N 3.1Å; Q7-L11 WeakPolarHBondContact O-CB 3.34Å; Q7-L11 PolarHBondContact O-N 2.95Å
8A92Very high85.3Confident62 Ų6298.1 Ų98.151%0.51252%0.518SS..Hα-helixtrans-61.9-43177.200000111.6S4 E5 L11 L12S4-A8 PolarHBondContact O-N 2.75Å; E5-A8 PolarHBondContact O-N 3.38Å; A8-L11 PolarHBondContact O-N 2.77Å; A8-L12 PolarHBondContact O-N 3.42Å
9Y92.4Very high85.8Confident151 Ų15198.5 Ų98.559%0.59252%0.515SS*.Hα-helixtrans-68.4-38.9177.8-172.6-113.6000112.4E5 Q7 L12 N13E5-Y9 PolarHBondContact O-N 3.46Å; Q7-Y9 VanDerWaalsContact C-N 3.34Å; Q7-Y9 PolarHBondContact O-N 3.07Å; Y9-L12 PolarHBondContact O-N 2.77Å; Y9-N13 VanDerWaalsContact CD1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.45Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.11Å; Y9-N13 PolarHBondContact O-N 3.43Å; Y9-N13 PolarHBondContact O-ND2 2.99Å
10R92.1Very high86.4Confident139 Ų13998 Ų9853%0.52551%0.511SS..Hα-helixtrans-61.3-45.4173.3-75.5172.8-155.8164.97.5111.7D6 Q7 L12 N13 D14D6-R10 WeakPolarHBondContact O-CB 3.21Å; D6-R10 WeakPolarHBondContact O-CG 3.48Å; D6-R10 PolarHBondContact O-N 3.27Å; D6-R10 IonicContact OD2-NH2 2.71Å; Q7-R10 PolarHBondContact O-N 3.1Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.25Å; R10-N13 WeakPolarHBondContact O-CB 3.26Å; R10-N13 PolarHBondContact O-N 2.81Å; R10-N13 VanDerWaalsContact O-N 3.1Å; R10-D14 PolarHBondContact O-N 3Å
11L93.1Very high87Confident80 Ų8096.7 Ų96.742%0.41951%0.507SS..Hα-helixtrans-59.9-43.1177-174.264.1000111.8Q7 A8 N13 D14 Y15Q7-L11 WeakPolarHBondContact O-CB 3.34Å; Q7-L11 PolarHBondContact O-N 2.95Å; A8-L11 PolarHBondContact O-N 2.77Å; L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 2.63Å; L11-D14 PolarHBondContact O-N 3.33Å; L11-Y15 HydrophobicContact CD1-CD1 4.42Å; L11-Y15 HydrophobicContact CD1-CE1 3.66Å; L11-Y15 HydrophobicContact CD1-CE2 4.16Å; L11-Y15 HydrophobicContact CD2-CE2 4.1Å; L11-Y15 HydrophobicContact CG-CD2 4.37Å; L11-Y15 HydrophobicContact CG-CE1 4.17Å; L11-Y15 HydrophobicContact CG-CE2 3.75Å; L11-Y15 PolarHBondContact O-N 2.81Å
12L94.2Very high89.4Confident105 Ų10587.7 Ų87.755%0.5547%0.468SS..Hα-helixtrans-61-40.6175.2-178.762.4000111.9A8 Y9 R10 Y15 A16A8-L12 PolarHBondContact O-N 3.42Å; Y9-L12 PolarHBondContact O-N 2.77Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.25Å; L12-Y15 PolarHBondContact O-N 3.31Å; L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.28Å
13N93.6Very high91.3Very high52 Ų5289.7 Ų89.728%0.27847%0.47SS..Hα-helixtrans-65.6-40.5175-77.2-68.1000112Y9 R10 L11 Y15 A16 N17Y9-N13 VanDerWaalsContact CD1-ND2 3.29Å; Y9-N13 WeakPolarHBondContact CD1-ND2 3.45Å; Y9-N13 WeakPolarHBondContact CE1-ND2 3.11Å; Y9-N13 PolarHBondContact O-N 3.43Å; Y9-N13 PolarHBondContact O-ND2 2.99Å; R10-N13 WeakPolarHBondContact O-CB 3.26Å; R10-N13 PolarHBondContact O-N 2.81Å; R10-N13 VanDerWaalsContact O-N 3.1Å; L11-N13 VanDerWaalsContact C-N 3.31Å; L11-N13 PolarHBondContact O-N 2.63Å; N13-Y15 VanDerWaalsContact C-N 3.31Å; N13-Y15 PolarHBondContact O-N 3.06Å; N13-A16 PolarHBondContact O-N 2.83Å; N13-N17 VanDerWaalsContact O-CB 3.23Å; N13-N17 WeakPolarHBondContact O-CB 3.49Å; N13-N17 VanDerWaalsContact O-CG 3.22Å; N13-N17 PolarHBondContact O-N 3.35Å; N13-N17 PolarHBondContact O-ND2 2.65Å
14D93.6Very high92.7Very high110 Ų11088.1 Ų88.159%0.58846%0.458SS*.Hα-helixtrans-61-42.3176.7-66.9-22.4000110.7R10 L11 G18R10-D14 PolarHBondContact O-N 3Å; L11-D14 PolarHBondContact O-N 3.33Å; D14-G18 PolarHBondContact O-N 3.42Å
15Y94.6Very high93.6Very high159 Ų15985.5 Ų85.562%0.62444%0.436SS*.Hα-helixtrans-66.4-46.1174.8-63.5-16.8000112.6L11 L12 N13 N17 G18L11-Y15 HydrophobicContact CD1-CD1 4.42Å; L11-Y15 HydrophobicContact CD1-CE1 3.66Å; L11-Y15 HydrophobicContact CD1-CE2 4.16Å; L11-Y15 HydrophobicContact CD2-CE2 4.1Å; L11-Y15 HydrophobicContact CG-CD2 4.37Å; L11-Y15 HydrophobicContact CG-CE1 4.17Å; L11-Y15 HydrophobicContact CG-CE2 3.75Å; L11-Y15 PolarHBondContact O-N 2.81Å; L12-Y15 PolarHBondContact O-N 3.31Å; N13-Y15 VanDerWaalsContact C-N 3.31Å; N13-Y15 PolarHBondContact O-N 3.06Å; Y15-N17 VanDerWaalsContact C-N 3.25Å; Y15-N17 PolarHBondContact O-N 3.41Å; Y15-G18 PolarHBondContact O-N 2.73Å
16A95.3Very high94.7Very high57 Ų5778.8 Ų78.847%0.47141%0.405SS..Hα-helixtrans-63.2-32.6179.700000112.4L12 N13 F19L12-A16 VanDerWaalsContact O-CB 3.31Å; L12-A16 WeakPolarHBondContact O-CB 3.37Å; L12-A16 PolarHBondContact O-N 3.28Å; N13-A16 PolarHBondContact O-N 2.83Å; A16-F19 WeakPolarHBondContact O-CD1 3.15Å; A16-F19 VanDerWaalsContact O-CE1 3.26Å; A16-F19 WeakPolarHBondContact O-CE1 3.3Å
17N95.5Very high95.3Very high67 Ų6776.9 Ų76.936%0.35840%0.399SS..Hα-helixtrans-93.5-5.3-179.4-64.8-40.9000113.5N13 Y15 F19 M20N13-N17 VanDerWaalsContact O-CB 3.23Å; N13-N17 WeakPolarHBondContact O-CB 3.49Å; N13-N17 VanDerWaalsContact O-CG 3.22Å; N13-N17 PolarHBondContact O-N 3.35Å; N13-N17 PolarHBondContact O-ND2 2.65Å; Y15-N17 VanDerWaalsContact C-N 3.25Å; Y15-N17 PolarHBondContact O-N 3.41Å; N17-F19 PolarHBondContact O-N 2.92Å; N17-M20 HydrophobicContact CB-CE 3.52Å; N17-M20 VanDerWaalsContact CG-CE 3.44Å; N17-M20 WeakPolarHBondContact O-CB 3.47Å; N17-M20 PolarHBondContact O-N 2.96Å; N17-M20 WeakPolarHBondContact OD1-CE 3.38Å
18G96.2Very high95.8Very high26 Ų2671.3 Ų71.327%0.26837%0.373SS..Hα-helixtrans-57.2-34.7-175.300000113.7D14 Y15 M20 V21 S22D14-G18 PolarHBondContact O-N 3.42Å; Y15-G18 PolarHBondContact O-N 2.73Å; G18-M20 VanDerWaalsContact C-N 3.25Å; G18-M20 PolarHBondContact O-N 2.97Å; G18-V21 WeakPolarHBondContact O-CB 3.14Å; G18-V21 PolarHBondContact O-N 2.98Å; G18-V21 VanDerWaalsContact O-N 3.15Å; G18-S22 PolarHBondContact O-N 3.38Å; G18-S22 VanDerWaalsContact O-N 3.11Å; G18-S22 PolarHBondContact O-OG 3.22Å
19F96.3Very high96.1Very high106 Ų10668.4 Ų68.447%0.46535%0.349SS..Hα-helixtrans-60.9-34.2176.880.5-90.4000112.6A16 N17 S22 Q23 Y114A16-F19 WeakPolarHBondContact O-CD1 3.15Å; A16-F19 VanDerWaalsContact O-CE1 3.26Å; A16-F19 WeakPolarHBondContact O-CE1 3.3Å; N17-F19 PolarHBondContact O-N 2.92Å; F19-S22 PolarHBondContact O-N 3.46Å; F19-Q23 WeakPolarHBondContact O-CB 3.47Å; F19-Q23 WeakPolarHBondContact O-CG 3.45Å; F19-Q23 PolarHBondContact O-N 3.13Å; F19-Y114 HydrophobicContact CB-CE2 4.08Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.49Å
20M97.8Very high96.3Very high87 Ų8766.1 Ų66.143%0.42934%0.344SS..Hα-helixtrans-68.6-39.2177.8-65.5-171.6-77.500111N17 G18 Q23 V24N17-M20 HydrophobicContact CB-CE 3.52Å; N17-M20 VanDerWaalsContact CG-CE 3.44Å; N17-M20 WeakPolarHBondContact O-CB 3.47Å; N17-M20 PolarHBondContact O-N 2.96Å; N17-M20 WeakPolarHBondContact OD1-CE 3.38Å; G18-M20 VanDerWaalsContact C-N 3.25Å; G18-M20 PolarHBondContact O-N 2.97Å; M20-Q23 PolarHBondContact O-N 3.43Å; M20-V24 WeakPolarHBondContact O-CG2 2.96Å; M20-V24 PolarHBondContact O-N 2.85Å
21V97.8Very high96.6Very high72 Ų7263 Ų6344%0.43634%0.338SS..Hα-helixtrans-62.4-45.2176.2177.30000110.6G18 V24 L25 L70G18-V21 WeakPolarHBondContact O-CB 3.14Å; G18-V21 PolarHBondContact O-N 2.98Å; G18-V21 VanDerWaalsContact O-N 3.15Å; V21-V24 PolarHBondContact O-N 2.72Å; V21-L25 PolarHBondContact O-N 3.34Å; V21-L70 HydrophobicContact CG1-CD1 4.03Å; V21-L70 HydrophobicContact CG1-CD2 3.72Å; V21-L70 HydrophobicContact CG2-CD2 4.44Å
22S97.6Very high96.8Very high47 Ų4760.1 Ų60.133%0.32933%0.327SS..Hα-helixtrans-60.9-44.9175.1-58.10000112G18 F19 V24 L25 F26G18-S22 PolarHBondContact O-N 3.38Å; G18-S22 VanDerWaalsContact O-N 3.11Å; G18-S22 PolarHBondContact O-OG 3.22Å; F19-S22 PolarHBondContact O-N 3.46Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 2.95Å; S22-L25 PolarHBondContact O-N 3.5Å; S22-F26 WeakPolarHBondContact O-CD1 3.38Å; S22-F26 WeakPolarHBondContact O-CD2 3.36Å; S22-F26 WeakPolarHBondContact O-CG 3.34Å; S22-F26 PolarHBondContact O-N 2.9Å
23Q97.6Very high97Very high68 Ų6855.2 Ų55.232%0.31830%0.301SS..Hα-helixtrans-63.6-36.5178.5-76.3-67-36.700113.1F19 M20 F26 A27 Y114F19-Q23 WeakPolarHBondContact O-CB 3.47Å; F19-Q23 WeakPolarHBondContact O-CG 3.45Å; F19-Q23 PolarHBondContact O-N 3.13Å; M20-Q23 PolarHBondContact O-N 3.43Å; Q23-F26 PolarHBondContact O-N 3.27Å; Q23-A27 WeakPolarHBondContact O-CB 3.5Å; Q23-A27 PolarHBondContact O-N 2.92Å; Q23-Y114 HydrophobicContact CG-CE1 4.38Å; Q23-Y114 HydrophobicContact CG-CE2 3.89Å; Q23-Y114 VanDerWaalsContact NE2-CZ 3.33Å
24V98.5Very high97.3Very high21 Ų2152.8 Ų52.813%0.12729%0.288CS..Hα-helixtrans-60.7-47173164.30000111M20 V21 S22 A27 A28 L63 I66 L70M20-V24 WeakPolarHBondContact O-CG2 2.96Å; M20-V24 PolarHBondContact O-N 2.85Å; V21-V24 PolarHBondContact O-N 2.72Å; S22-V24 VanDerWaalsContact C-N 3.35Å; S22-V24 PolarHBondContact O-N 2.95Å; V24-A27 PolarHBondContact O-N 3.45Å; V24-A28 WeakPolarHBondContact O-CB 3.3Å; V24-A28 PolarHBondContact O-N 3.45Å; V24-L63 HydrophobicContact CB-CD1 4.39Å; V24-L63 HydrophobicContact CG1-CD1 3.89Å; V24-L63 HydrophobicContact CG2-CD1 4.44Å; V24-I66 HydrophobicContact CB-CG2 4.43Å; V24-I66 HydrophobicContact CG1-CB 4.32Å; V24-I66 HydrophobicContact CG1-CG2 3.87Å; V24-I66 HydrophobicContact CG2-CD1 4.29Å; V24-I66 HydrophobicContact CG2-CG2 4.02Å; V24-L70 HydrophobicContact CB-CD1 4.36Å; V24-L70 HydrophobicContact CG1-CD1 3.79Å
25L98.2Very high97.5Very high41 Ų4148.7 Ų48.722%0.21527%0.266CS..Hα-helixtrans-61.6-47.7178178.860.3000111.3V21 S22 A28 C29 L72 L94 L106V21-L25 PolarHBondContact O-N 3.34Å; S22-L25 PolarHBondContact O-N 3.5Å; L25-A28 PolarHBondContact O-N 3.09Å; L25-C29 PolarHBondContact O-N 2.89Å; L25-C29 VanDerWaalsContact O-N 3.1Å; L25-C29 PolarHBondContact O-SG 3.48Å; L25-C29 VanDerWaalsContact O-SG 3.41Å; L25-L72 HydrophobicContact CD1-CD1 3.77Å; L25-L94 HydrophobicContact CD1-CD1 3.72Å; L25-L94 HydrophobicContact CD1-CD2 3.99Å; L25-L106 HydrophobicContact CD1-CD1 4.03Å; L25-L106 HydrophobicContact CD2-CD1 4.05Å; L25-L106 HydrophobicContact CD2-CD2 3.62Å; L25-L106 HydrophobicContact CD2-CG 4.5Å; L25-L106 HydrophobicContact CG-CD1 3.95Å; L25-L106 HydrophobicContact CG-CD2 4.09Å
26F98.3Very high97.7Very high14 Ų1443.1 Ų43.16%0.06125%0.247CC..Hα-helixtrans-62.3-45.1179.2-56.4-27.9000112S22 Q23 C29 E30 L106 M109 Y114S22-F26 WeakPolarHBondContact O-CD1 3.38Å; S22-F26 WeakPolarHBondContact O-CD2 3.36Å; S22-F26 WeakPolarHBondContact O-CG 3.34Å; S22-F26 PolarHBondContact O-N 2.9Å; Q23-F26 PolarHBondContact O-N 3.27Å; F26-C29 PolarHBondContact O-N 3.22Å; F26-E30 WeakPolarHBondContact O-CB 3.46Å; F26-E30 PolarHBondContact O-N 3.26Å; F26-L106 HydrophobicContact CD1-CB 4.15Å; F26-L106 HydrophobicContact CD1-CD2 4.11Å; F26-L106 VanDerWaalsContact CD1-O 3.27Å; F26-L106 WeakPolarHBondContact CD1-O 3.43Å; F26-L106 HydrophobicContact CE1-CB 4.47Å; F26-L106 HydrophobicContact CE1-CD2 3.78Å; F26-M109 HydrophobicContact CE1-CB 3.78Å; F26-M109 HydrophobicContact CZ-CB 3.73Å; F26-M109 HydrophobicContact CZ-CE 4.34Å; F26-Y114 HydrophobicContact CE2-CD2 4.07Å
27A98.3Very high97.9Very high33 Ų3341 Ų4127%0.27323%0.228SC..Hα-helixtrans-64.5-42.3179.400000112.1Q23 V24 C29 E30 L31 L63Q23-A27 WeakPolarHBondContact O-CB 3.5Å; Q23-A27 PolarHBondContact O-N 2.92Å; V24-A27 PolarHBondContact O-N 3.45Å; A27-C29 VanDerWaalsContact C-N 3.34Å; A27-C29 PolarHBondContact O-N 3.31Å; A27-E30 PolarHBondContact O-N 3.39Å; A27-L31 WeakPolarHBondContact O-CB 3.42Å; A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.43Å; A27-L31 PolarHBondContact O-N 3.07Å; A27-L63 HydrophobicContact CB-CD1 4.46Å
28A98.6Very high98Very high0 Ų040.3 Ų40.30%023%0.232CC..Hα-helixtrans-62.9-40.117700000112.1V24 L25 G32 V33 F34 L63V24-A28 WeakPolarHBondContact O-CB 3.3Å; V24-A28 PolarHBondContact O-N 3.45Å; L25-A28 PolarHBondContact O-N 3.09Å; A28-G32 PolarHBondContact O-N 3.25Å; A28-V33 HydrophobicContact CB-CB 4.45Å; A28-V33 HydrophobicContact CB-CG2 4.46Å; A28-V33 PolarHBondContact O-N 3.11Å; A28-V33 VanDerWaalsContact O-N 3.07Å; A28-F34 HydrophobicContact CB-CE2 3.56Å; A28-F34 HydrophobicContact CB-CZ 3.75Å; A28-L63 HydrophobicContact CB-CD2 4.31Å
29C97.9Very high98.1Very high2 Ų246.4 Ų46.41%0.01425%0.253CS..Hα-helixtrans-68.8-39.2173.7-70.50000112.9L25 F26 A27 G32 K107L25-C29 PolarHBondContact O-N 2.89Å; L25-C29 VanDerWaalsContact O-N 3.1Å; L25-C29 PolarHBondContact O-SG 3.48Å; L25-C29 VanDerWaalsContact O-SG 3.41Å; F26-C29 PolarHBondContact O-N 3.22Å; A27-C29 VanDerWaalsContact C-N 3.34Å; A27-C29 PolarHBondContact O-N 3.31Å; C29-G32 PolarHBondContact O-N 3.11Å; C29-K107 WeakPolarHBondContact O-CE 3.22Å
30E96.7Very high98.1Very high103 Ų10342.4 Ų42.448%0.48124%0.239SC..Hα-helixtrans-67.4-40.4178.9178.8162.1-150.200112.2F26 A27 G32 R111F26-E30 WeakPolarHBondContact O-CB 3.46Å; F26-E30 PolarHBondContact O-N 3.26Å; A27-E30 PolarHBondContact O-N 3.39Å; E30-G32 PolarHBondContact O-N 3.39Å; E30-R111 IonicContact OE1-CZ 3.81Å; E30-R111 IonicContact OE1-NE 2.94Å; E30-R111 PolarHBondContact OE1-NE 3.12Å; E30-R111 IonicContact OE1-NH2 3.54Å; E30-R111 PolarHBondContact OE1-NH2 3.11Å
31L98.2Very high98Very high74 Ų7445.2 Ų45.239%0.38726%0.264SS..THydrogen-bonded Turntrans-72.7-12.3177.3-71.1172.1000113.5A27 V33 V53 L63A27-L31 WeakPolarHBondContact O-CB 3.42Å; A27-L31 VanDerWaalsContact O-CG 3.27Å; A27-L31 WeakPolarHBondContact O-CG 3.43Å; A27-L31 PolarHBondContact O-N 3.07Å; L31-V33 HydrophobicContact CB-CG2 4.09Å; L31-V53 HydrophobicContact CB-CB 4.2Å; L31-V53 HydrophobicContact CB-CG1 4.49Å; L31-V53 WeakPolarHBondContact O-CB 3.42Å; L31-V53 VanDerWaalsContact O-CG1 3.31Å; L31-V53 WeakPolarHBondContact O-CG1 3.39Å; L31-L63 HydrophobicContact CD1-CD2 3.74Å
32G98.1Very high97.9Very high19 Ų1943.2 Ų43.220%0.19626%0.258CS..THydrogen-bonded Turntrans72.929.1-177.800000113.5A28 C29 E30 F34 L36A28-G32 PolarHBondContact O-N 3.25Å; C29-G32 PolarHBondContact O-N 3.11Å; E30-G32 PolarHBondContact O-N 3.39Å; G32-F34 PolarHBondContact O-N 3.42Å; G32-L36 WeakPolarHBondContact O-CB 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å
33V98.8Very high97.9Very high1 Ų142.6 Ų42.61%0.00625%0.253CS..Hα-helixtrans-59.1-47.4-177.8170.60000111.4A28 L31 L36 L37 V53 L63 L64 L73A28-V33 HydrophobicContact CB-CB 4.45Å; A28-V33 HydrophobicContact CB-CG2 4.46Å; A28-V33 PolarHBondContact O-N 3.11Å; A28-V33 VanDerWaalsContact O-N 3.07Å; L31-V33 HydrophobicContact CB-CG2 4.09Å; V33-L36 PolarHBondContact O-N 2.96Å; V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 3.48Å; V33-V53 HydrophobicContact CG2-CG1 4.11Å; V33-L63 HydrophobicContact CG2-CD2 4.32Å; V33-L64 HydrophobicContact CG1-CD2 3.57Å; V33-L73 HydrophobicContact CG1-CD1 4.47Å
34F98.8Very high97.9Very high2 Ų240.9 Ų40.91%0.00925%0.246CC..Hα-helixtrans-71.1-37-174.5-56.3-68000112.5A28 G32 L37 A38 L72 L73 N86 L94 T95A28-F34 HydrophobicContact CB-CE2 3.56Å; A28-F34 HydrophobicContact CB-CZ 3.75Å; G32-F34 PolarHBondContact O-N 3.42Å; F34-L37 PolarHBondContact O-N 2.92Å; F34-A38 WeakPolarHBondContact O-CB 3.3Å; F34-A38 PolarHBondContact O-N 2.82Å; F34-L72 HydrophobicContact CE1-CB 4.02Å; F34-L72 HydrophobicContact CZ-CB 4.28Å; F34-L72 HydrophobicContact CZ-CD1 4.13Å; F34-L73 HydrophobicContact CD1-CD2 3.92Å; F34-L73 HydrophobicContact CE1-CD2 3.83Å; F34-L73 HydrophobicContact CE1-CG 4.3Å; F34-N86 PolarHBondContact O-ND2 3.04Å; F34-L94 HydrophobicContact CB-CB 4.22Å; F34-L94 WeakPolarHBondContact CB-O 3.44Å; F34-L94 HydrophobicContact CD1-CB 4.29Å; F34-L94 HydrophobicContact CD1-CD1 4.44Å; F34-L94 HydrophobicContact CD2-CB 3.57Å; F34-L94 HydrophobicContact CD2-CD1 4.2Å; F34-L94 HydrophobicContact CD2-CG 4.49Å; F34-L94 HydrophobicContact CE1-CD1 3.98Å; F34-L94 HydrophobicContact CE2-CB 3.95Å; F34-L94 HydrophobicContact CE2-CD1 3.71Å; F34-L94 HydrophobicContact CE2-CG 4.41Å; F34-L94 HydrophobicContact CG-CB 3.76Å; F34-L94 HydrophobicContact CZ-CB 4.46Å; F34-L94 HydrophobicContact CZ-CD1 3.59Å; F34-T95 HydrophobicContact CB-CG2 4.24Å
35D98.7Very high97.9Very high24 Ų2441.5 Ų41.513%0.12825%0.248CC..Hα-helixtrans-63.3-49.1173.6-67.2-44.8000110.6L37 A38 E39 T95 T96D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 2.92Å; D35-A38 WeakPolarHBondContact O-CB 3.31Å; D35-A38 PolarHBondContact O-N 2.7Å; D35-E39 WeakPolarHBondContact O-CG 3.49Å; D35-E39 PolarHBondContact O-N 3.12Å; D35-T95 WeakPolarHBondContact OD1-CA 3.15Å; D35-T96 VanDerWaalsContact CG-OG1 3.24Å; D35-T96 PolarHBondContact OD1-N 3.26Å; D35-T96 PolarHBondContact OD1-OG1 3.33Å; D35-T96 VanDerWaalsContact OD2-CG2 3.26Å; D35-T96 WeakPolarHBondContact OD2-CG2 3.28Å; D35-T96 PolarHBondContact OD2-OG1 3.11Å
36L98.8Very high97.9Very high41 Ų4140.4 Ų40.422%0.21524%0.243CC..Hα-helixtrans-56.6-41.4177.5178.966.8000112.1G32 V33 A40 L44 V49 V53G32-L36 WeakPolarHBondContact O-CB 3.47Å; G32-L36 PolarHBondContact O-N 2.97Å; V33-L36 PolarHBondContact O-N 2.96Å; L36-A40 PolarHBondContact O-N 3.23Å; L36-L44 HydrophobicContact CD2-CD1 4.48Å; L36-L44 HydrophobicContact CG-CD1 4.12Å; L36-V49 HydrophobicContact CD2-CB 4.5Å; L36-V49 HydrophobicContact CD2-CG1 4.18Å; L36-V53 HydrophobicContact CD2-CG1 3.78Å
37L98.8Very high97.9Very high13 Ų1342.6 Ų42.67%0.06826%0.264CS..Hα-helixtrans-72.3-29.4177.7-70.6174.5000113V33 F34 D35 L44 V49 L73 Y84 N86V33-L37 HydrophobicContact CG1-CD1 3.93Å; V33-L37 VanDerWaalsContact O-CG 3.29Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 3.48Å; F34-L37 PolarHBondContact O-N 2.92Å; D35-L37 VanDerWaalsContact C-N 3.26Å; D35-L37 PolarHBondContact O-N 2.92Å; L37-L44 HydrophobicContact CD2-CB 3.99Å; L37-L44 HydrophobicContact CD2-CD1 4.16Å; L37-L44 HydrophobicContact CD2-CG 4.17Å; L37-V49 HydrophobicContact CD2-CG2 3.99Å; L37-L73 HydrophobicContact CD1-CD1 3.99Å; L37-L73 HydrophobicContact CD1-CD2 3.47Å; L37-L73 VanDerWaalsContact CD1-CD2 3.47Å; L37-L73 HydrophobicContact CD1-CG 4.39Å; L37-Y84 WeakPolarHBondContact CD2-O 3.45Å; L37-N86 WeakPolarHBondContact CB-OD1 3.49Å
38A98.2Very high97.9Very high53 Ų5343 Ų4344%0.43827%0.268SS..Hα-helixtrans-74.7-35.817700000112.4F34 D35 A40 T95F34-A38 WeakPolarHBondContact O-CB 3.3Å; F34-A38 PolarHBondContact O-N 2.82Å; D35-A38 WeakPolarHBondContact O-CB 3.31Å; D35-A38 PolarHBondContact O-N 2.7Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A38-T95 HydrophobicContact CB-CG2 3.8Å
39E97.7Very high97.9Very high153 Ų15343 Ų4372%0.71527%0.268SS*.Hα-helixtrans-76.9-19.3178.6-68.8175.8-174.100113.2D35D35-E39 WeakPolarHBondContact O-CG 3.49Å; D35-E39 PolarHBondContact O-N 3.12Å
40A97.4Very high98Very high22 Ų2243.2 Ų43.218%0.18227%0.269CS..SBendtrans-69142.8-178.700000112.2L36 A38 G42 L44L36-A40 PolarHBondContact O-N 3.23Å; A38-A40 VanDerWaalsContact C-N 3.32Å; A40-G42 WeakPolarHBondContact CB-O 3.31Å; A40-G42 PolarHBondContact O-N 3.15Å; A40-L44 HydrophobicContact CB-CD1 3.88Å; A40-L44 HydrophobicContact CB-CD2 3.84Å; A40-L44 HydrophobicContact CB-CG 3.73Å
41P94.4Very high98.1Very high146 Ų14641.8 Ų41.895%0.94828%0.275SS*.SBendtrans-67.6-9.6177.728.9-36.3000113.6
42G95.8Very high98.1Very high30 Ų3040.2 Ų40.231%0.30928%0.277SS..SBendtrans-176.1-176.8178.200000111.2A40 L44A40-G42 WeakPolarHBondContact CB-O 3.31Å; A40-G42 PolarHBondContact O-N 3.15Å; G42-L44 PolarHBondContact O-N 2.9Å
43P98.2Very high98.1Very high34 Ų3440 Ų4022%0.22127%0.272CS..PPolyproline II helixtrans-55.6138-179.8-27.236.5000112.9F83 Y84 R85P43-F83 HydrophobicContact CB-CB 3.75Å; P43-Y84 CarbonylContact C-O 3.6Å; P43-Y84 WeakPolarHBondContact CA-O 3.18Å; P43-R85 HydrophobicContact CB-CB 4.46Å; P43-R85 HydrophobicContact CG-CB 4.31Å; P43-R85 HydrophobicContact CG-CG 4.44Å
44L98.7Very high98Very high33 Ų3350.8 Ų50.817%0.17331%0.312CS..EExtended strand (participates in β ladder)trans-104142.9-178.3-65.1-173.7000111.7L36 L37 A40 G42 A48 V49 F83 Y84L36-L44 HydrophobicContact CD2-CD1 4.48Å; L36-L44 HydrophobicContact CG-CD1 4.12Å; L37-L44 HydrophobicContact CD2-CB 3.99Å; L37-L44 HydrophobicContact CD2-CD1 4.16Å; L37-L44 HydrophobicContact CD2-CG 4.17Å; A40-L44 HydrophobicContact CB-CD1 3.88Å; A40-L44 HydrophobicContact CB-CD2 3.84Å; A40-L44 HydrophobicContact CB-CG 3.73Å; G42-L44 PolarHBondContact O-N 2.9Å; L44-A48 HydrophobicContact CB-CB 4.18Å; L44-A48 HydrophobicContact CD1-CB 4.5Å; L44-A48 HydrophobicContact CD2-CB 4.21Å; L44-V49 HydrophobicContact CB-CG2 3.68Å; L44-V49 HydrophobicContact CD1-CG2 4.19Å; L44-F83 CarbonylContact O-C 3.56Å; L44-F83 VanDerWaalsContact O-CA 3.31Å; L44-F83 WeakPolarHBondContact O-CA 3.43Å; L44-Y84 PolarHBondContact N-O 2.79Å; L44-Y84 PolarHBondContact O-N 3.41Å
45D98.3Very high98Very high33 Ų3352.6 Ų52.618%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-78.4167.1169.175.44.5000111.8A47 A48 V49 K81 A82 F83D45-A47 PolarHBondContact O-N 3.06Å; D45-A47 PolarHBondContact OD1-N 3.4Å; D45-A48 PolarHBondContact O-N 3.01Å; D45-A48 WeakPolarHBondContact OD1-CB 3.39Å; D45-A48 PolarHBondContact OD1-N 2.87Å; D45-V49 WeakPolarHBondContact O-CG2 3.29Å; D45-V49 PolarHBondContact O-N 3.21Å; D45-K81 IonicContact OD2-NZ 3.46Å; D45-A82 WeakPolarHBondContact CA-O 3.47Å; D45-A82 WeakPolarHBondContact CB-O 3.32Å; D45-F83 HydrophobicContact CB-CD1 4.06Å; D45-F83 HydrophobicContact CB-CE1 3.9Å; D45-F83 HydrophobicContact CB-CZ 4.29Å
46V98.3Very high98Very high18 Ų1855.1 Ų55.111%0.10935%0.347CS..Hα-helixtrans-52.8-41.5-179.4176.60000111.8V49 A50 A57 T60 E61 Y84V46-V49 PolarHBondContact O-N 2.93Å; V46-A50 WeakPolarHBondContact O-CB 3.31Å; V46-A50 PolarHBondContact O-N 2.86Å; V46-A57 HydrophobicContact CG1-CB 4.42Å; V46-A57 VanDerWaalsContact CG1-O 3.25Å; V46-A57 WeakPolarHBondContact CG1-O 3.35Å; V46-T60 HydrophobicContact CG1-CG2 4.41Å; V46-E61 HydrophobicContact CG1-CB 3.81Å; V46-E61 HydrophobicContact CG2-CB 4.13Å; V46-E61 HydrophobicContact CG2-CG 4.03Å; V46-Y84 HydrophobicContact CG2-CE2 3.65Å
47A97.7Very high98Very high61 Ų6155.8 Ų55.850%0.50436%0.359SS..Hα-helixtrans-66-42.3-176.600000111.5D45 A51D45-A47 PolarHBondContact O-N 3.06Å; D45-A47 PolarHBondContact OD1-N 3.4Å; A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.19Å
48A98.5Very high97.9Very high41 Ų4161.2 Ų61.234%0.33938%0.383SS..Hα-helixtrans-64.5-44175.300000112L44 D45 G52L44-A48 HydrophobicContact CB-CB 4.18Å; L44-A48 HydrophobicContact CD1-CB 4.5Å; L44-A48 HydrophobicContact CD2-CB 4.21Å; D45-A48 PolarHBondContact O-N 3.01Å; D45-A48 WeakPolarHBondContact OD1-CB 3.39Å; D45-A48 PolarHBondContact OD1-N 2.87Å; A48-G52 PolarHBondContact O-N 2.81Å
49V98.8Very high98Very high0 Ų060.3 Ų60.30%038%0.379CS..Hα-helixtrans-64.4-47.9177.7-179.40000111L36 L37 L44 D45 V46 A51 G52 V53 T60 L64L36-V49 HydrophobicContact CD2-CB 4.5Å; L36-V49 HydrophobicContact CD2-CG1 4.18Å; L37-V49 HydrophobicContact CD2-CG2 3.99Å; L44-V49 HydrophobicContact CB-CG2 3.68Å; L44-V49 HydrophobicContact CD1-CG2 4.19Å; D45-V49 WeakPolarHBondContact O-CG2 3.29Å; D45-V49 PolarHBondContact O-N 3.21Å; V46-V49 PolarHBondContact O-N 2.93Å; V49-A51 VanDerWaalsContact C-N 3.3Å; V49-A51 PolarHBondContact O-N 2.99Å; V49-G52 PolarHBondContact O-N 3.48Å; V49-G52 VanDerWaalsContact O-N 3.09Å; V49-V53 HydrophobicContact CG1-CG1 4.39Å; V49-V53 WeakPolarHBondContact O-CG2 3.39Å; V49-V53 PolarHBondContact O-N 2.78Å; V49-T60 HydrophobicContact CB-CG2 3.96Å; V49-T60 HydrophobicContact CG1-CG2 3.69Å; V49-L64 HydrophobicContact CB-CD1 3.99Å; V49-L64 HydrophobicContact CG1-CD1 3.95Å; V49-L64 HydrophobicContact CG1-CD2 4.19Å; V49-L64 HydrophobicContact CG2-CD1 4.05Å
50A98.8Very high98Very high6 Ų653.2 Ų53.25%0.0535%0.346CS..Hα-helixtrans-59.8-40.7-178.900000111.9V46 R54 A55 T60V46-A50 WeakPolarHBondContact O-CB 3.31Å; V46-A50 PolarHBondContact O-N 2.86Å; A50-R54 WeakPolarHBondContact O-CA 3.39Å; A50-R54 PolarHBondContact O-N 3.06Å; A50-A55 PolarHBondContact O-N 2.8Å; A50-T60 HydrophobicContact CB-CG2 4.07Å; A50-T60 WeakPolarHBondContact CB-OG1 3.46Å
51A98.6Very high98.1Very high74 Ų7456.1 Ų56.161%0.61236%0.356SS*.Hα-helixtrans-63.8-4517400000112A47 V49 R54A47-A51 WeakPolarHBondContact O-CB 3.47Å; A47-A51 PolarHBondContact O-N 3.19Å; V49-A51 VanDerWaalsContact C-N 3.3Å; V49-A51 PolarHBondContact O-N 2.99Å; A51-R54 PolarHBondContact O-N 3.47Å
52G98.5Very high98.3Very high41 Ų4153.6 Ų53.642%0.42333%0.334SS..Hα-helixtrans-64.9-42.2-179.100000113.5A48 V49 R54A48-G52 PolarHBondContact O-N 2.81Å; V49-G52 PolarHBondContact O-N 3.48Å; V49-G52 VanDerWaalsContact O-N 3.09Å; G52-R54 VanDerWaalsContact C-N 3.33Å
53V98.1Very high98.4Very high13 Ų1353.3 Ų53.38%0.07933%0.325CS..THydrogen-bonded Turntrans-893178.9-50.80000113.8L31 V33 L36 V49 A55L31-V53 HydrophobicContact CB-CB 4.2Å; L31-V53 HydrophobicContact CB-CG1 4.49Å; L31-V53 WeakPolarHBondContact O-CB 3.42Å; L31-V53 VanDerWaalsContact O-CG1 3.31Å; L31-V53 WeakPolarHBondContact O-CG1 3.39Å; V33-V53 HydrophobicContact CG2-CG1 4.11Å; L36-V53 HydrophobicContact CD2-CG1 3.78Å; V49-V53 HydrophobicContact CG1-CG1 4.39Å; V49-V53 WeakPolarHBondContact O-CG2 3.39Å; V49-V53 PolarHBondContact O-N 2.78Å; V53-A55 HydrophobicContact CG2-CB 3.73Å; V53-A55 PolarHBondContact O-N 2.87Å
54R98.3Very high98.5Very high229 Ų22951.7 Ų51.786%0.86432%0.315SS*.THydrogen-bonded Turntrans54.248.3-178-56.6-176.5-66.3-105.5-2113.3A50 A51 G52A50-R54 WeakPolarHBondContact O-CA 3.39Å; A50-R54 PolarHBondContact O-N 3.06Å; A51-R54 PolarHBondContact O-N 3.47Å; G52-R54 VanDerWaalsContact C-N 3.33Å
55A98.3Very high98.4Very high39 Ų3953.4 Ų53.432%0.32232%0.324SS..  trans-121.5171.8179.400000112.1A50 V53 T60A50-A55 PolarHBondContact O-N 2.8Å; V53-A55 HydrophobicContact CG2-CB 3.73Å; V53-A55 PolarHBondContact O-N 2.87Å; A55-T60 WeakPolarHBondContact CB-OG1 3.48Å
56S98.4Very high98.5Very high77 Ų7755.5 Ų55.554%0.53834%0.335SS..  trans-73.5142.7174.170.70000110.5H58 G59 T60S56-H58 PolarHBondContact O-N 3.01Å; S56-G59 PolarHBondContact O-N 3.33Å; S56-G59 PolarHBondContact OG-N 3.1Å; S56-G59 VanDerWaalsContact OG-N 3.12Å; S56-T60 WeakPolarHBondContact O-CB 3.41Å; S56-T60 PolarHBondContact O-N 2.86Å; S56-T60 PolarHBondContact O-OG1 3.07Å; S56-T60 VanDerWaalsContact O-OG1 3.05Å
57A97.9Very high98.5Very high56 Ų5654.7 Ų54.746%0.46333%0.33SS..Hα-helixtrans-55.1-42.4177.800000112.1V46 T60 E61V46-A57 HydrophobicContact CG1-CB 4.42Å; V46-A57 VanDerWaalsContact CG1-O 3.25Å; V46-A57 WeakPolarHBondContact CG1-O 3.35Å; A57-T60 PolarHBondContact O-N 2.89Å; A57-E61 WeakPolarHBondContact O-CB 3.24Å; A57-E61 PolarHBondContact O-N 2.8Å
58H98.3Very high98.6Very high126 Ų12653.5 Ų53.558%0.58332%0.316SS*.Hα-helixtrans-66.2-45.8179.4-177.652.3000113S56 T60 E61 L62S56-H58 PolarHBondContact O-N 3.01Å; H58-T60 VanDerWaalsContact C-N 3.33Å; H58-T60 PolarHBondContact O-N 2.88Å; H58-E61 PolarHBondContact O-N 3.37Å; H58-L62 WeakPolarHBondContact O-CG 3.11Å; H58-L62 PolarHBondContact O-N 2.89Å; H58-L62 VanDerWaalsContact O-N 3.14Å
59G98.6Very high98.5Very high34 Ų3456.1 Ų56.135%0.35133%0.332SS..Hα-helixtrans-65.4-39.3178.100000112S56 L63S56-G59 PolarHBondContact O-N 3.33Å; S56-G59 PolarHBondContact OG-N 3.1Å; S56-G59 VanDerWaalsContact OG-N 3.12Å; G59-L63 WeakPolarHBondContact O-CB 3.21Å; G59-L63 PolarHBondContact O-N 3.04Å; G59-L63 VanDerWaalsContact O-N 3.07Å
60T98.8Very high98.5Very high5 Ų558.8 Ų58.83%0.03135%0.346CS..Hα-helixtrans-62.9-46.9174.3-62.40000111.7V46 V49 A50 A55 S56 A57 H58 L62 L63 L64V46-T60 HydrophobicContact CG1-CG2 4.41Å; V49-T60 HydrophobicContact CB-CG2 3.96Å; V49-T60 HydrophobicContact CG1-CG2 3.69Å; A50-T60 HydrophobicContact CB-CG2 4.07Å; A50-T60 WeakPolarHBondContact CB-OG1 3.46Å; A55-T60 WeakPolarHBondContact CB-OG1 3.48Å; S56-T60 WeakPolarHBondContact O-CB 3.41Å; S56-T60 PolarHBondContact O-N 2.86Å; S56-T60 PolarHBondContact O-OG1 3.07Å; S56-T60 VanDerWaalsContact O-OG1 3.05Å; A57-T60 PolarHBondContact O-N 2.89Å; H58-T60 VanDerWaalsContact C-N 3.33Å; H58-T60 PolarHBondContact O-N 2.88Å; T60-L62 PolarHBondContact O-N 3.35Å; T60-L63 PolarHBondContact O-N 2.75Å; T60-L64 HydrophobicContact CG2-CD1 3.63Å; T60-L64 HydrophobicContact CG2-CG 4Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 2.86Å
61E98.5Very high98.5Very high83 Ų8366.3 Ų66.339%0.38838%0.378SS..Hα-helixtrans-56.1-50.5178.1-171.5168.2-135.200111.7V46 A57 H58 L63 L64 D65V46-E61 HydrophobicContact CG1-CB 3.81Å; V46-E61 HydrophobicContact CG2-CB 4.13Å; V46-E61 HydrophobicContact CG2-CG 4.03Å; A57-E61 WeakPolarHBondContact O-CB 3.24Å; A57-E61 PolarHBondContact O-N 2.8Å; H58-E61 PolarHBondContact O-N 3.37Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.86Å; E61-L64 PolarHBondContact O-N 3.23Å; E61-D65 WeakPolarHBondContact O-CB 3.28Å; E61-D65 PolarHBondContact O-N 2.93Å
62L98.7Very high98.5Very high93 Ų9363.6 Ų63.649%0.48735%0.353SS..Hα-helixtrans-58.4-44.6177.7-68.1177.1000112.1H58 T60 I66H58-L62 WeakPolarHBondContact O-CG 3.11Å; H58-L62 PolarHBondContact O-N 2.89Å; H58-L62 VanDerWaalsContact O-N 3.14Å; T60-L62 PolarHBondContact O-N 3.35Å; L62-I66 WeakPolarHBondContact O-CD1 3.38Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.16Å
63L98.8Very high98.5Very high23 Ų2361.8 Ų61.812%0.1233%0.333CS..Hα-helixtrans-63.7-47.6179.2-176.668.4000111.4V24 A27 A28 L31 V33 G59 T60 E61 I66 C67V24-L63 HydrophobicContact CB-CD1 4.39Å; V24-L63 HydrophobicContact CG1-CD1 3.89Å; V24-L63 HydrophobicContact CG2-CD1 4.44Å; A27-L63 HydrophobicContact CB-CD1 4.46Å; A28-L63 HydrophobicContact CB-CD2 4.31Å; L31-L63 HydrophobicContact CD1-CD2 3.74Å; V33-L63 HydrophobicContact CG2-CD2 4.32Å; G59-L63 WeakPolarHBondContact O-CB 3.21Å; G59-L63 PolarHBondContact O-N 3.04Å; G59-L63 VanDerWaalsContact O-N 3.07Å; T60-L63 PolarHBondContact O-N 2.75Å; E61-L63 VanDerWaalsContact C-N 3.34Å; E61-L63 PolarHBondContact O-N 2.86Å; L63-I66 PolarHBondContact O-N 3.45Å; L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 3.16Å
64L98.9Very high98.6Very high1 Ų165.9 Ų65.91%0.00535%0.35CS..Hα-helixtrans-63.9-42.7-178.4-66.9177.2000111.9V33 V49 T60 E61 I66 C67 V68 L73 Y84V33-L64 HydrophobicContact CG1-CD2 3.57Å; V49-L64 HydrophobicContact CB-CD1 3.99Å; V49-L64 HydrophobicContact CG1-CD1 3.95Å; V49-L64 HydrophobicContact CG1-CD2 4.19Å; V49-L64 HydrophobicContact CG2-CD1 4.05Å; T60-L64 HydrophobicContact CG2-CD1 3.63Å; T60-L64 HydrophobicContact CG2-CG 4Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 2.86Å; E61-L64 PolarHBondContact O-N 3.23Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.06Å; L64-C67 CarbonylContact O-C 3.58Å; L64-C67 WeakPolarHBondContact O-CB 3.46Å; L64-C67 PolarHBondContact O-N 3.4Å; L64-C67 VanDerWaalsContact O-N 3.15Å; L64-V68 WeakPolarHBondContact O-CG2 3.5Å; L64-V68 PolarHBondContact O-N 3.4Å; L64-L73 HydrophobicContact CB-CD1 4.4Å; L64-L73 HydrophobicContact CD2-CD1 3.48Å; L64-L73 VanDerWaalsContact CD2-CD1 3.48Å; L64-Y84 HydrophobicContact CB-CD1 3.83Å; L64-Y84 HydrophobicContact CB-CE1 3.63Å; L64-Y84 HydrophobicContact CB-CE2 4.37Å; L64-Y84 HydrophobicContact CB-CG 4.27Å; L64-Y84 HydrophobicContact CD1-CD1 4.43Å; L64-Y84 HydrophobicContact CD1-CD2 3.74Å; L64-Y84 HydrophobicContact CD1-CE2 3.89Å; L64-Y84 HydrophobicContact CD1-CG 4.03Å
65D98.6Very high98.6Very high69 Ų6957.6 Ų57.637%0.36933%0.325SS..Hα-helixtrans-65.7-34.6178.5-75.5-14.3000112.4E61 V68 S69 Y84E61-D65 WeakPolarHBondContact O-CB 3.28Å; E61-D65 PolarHBondContact O-N 2.93Å; D65-V68 PolarHBondContact O-N 3.02Å; D65-S69 PolarHBondContact O-N 2.93Å; D65-S69 PolarHBondContact O-OG 3.28Å; D65-Y84 WeakPolarHBondContact OD1-CE1 3.32Å; D65-Y84 PolarHBondContact OD1-OH 2.69Å
66I98.8Very high98.5Very high77 Ų7758.6 Ų58.640%0.39532%0.323SS..Hα-helixtrans-69.4-42.3171.4-61.1164.6000110V24 L62 L63 L64 V68 S69 L70V24-I66 HydrophobicContact CB-CG2 4.43Å; V24-I66 HydrophobicContact CG1-CB 4.32Å; V24-I66 HydrophobicContact CG1-CG2 3.87Å; V24-I66 HydrophobicContact CG2-CD1 4.29Å; V24-I66 HydrophobicContact CG2-CG2 4.02Å; L62-I66 WeakPolarHBondContact O-CD1 3.38Å; L62-I66 VanDerWaalsContact O-CG1 3.25Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.16Å; L63-I66 PolarHBondContact O-N 3.45Å; L64-I66 VanDerWaalsContact C-N 3.32Å; L64-I66 PolarHBondContact O-N 3.06Å; I66-V68 PolarHBondContact O-N 2.77Å; I66-S69 CarbonylContact O-C 3.55Å; I66-S69 WeakPolarHBondContact O-CA 3.5Å; I66-S69 WeakPolarHBondContact O-CB 3.31Å; I66-S69 PolarHBondContact O-N 3.44Å; I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 HydrophobicContact CG2-CG 4.16Å; I66-L70 WeakPolarHBondContact O-CG 3.46Å; I66-L70 PolarHBondContact O-N 2.99Å
67C98.8Very high98.4Very high0 Ų060.1 Ų60.10%033%0.329CS..Hα-helixtrans-59.5-34.1174.8-70.80000112.5L63 L64 L70 K71 L72 L73L63-C67 PolarHBondContact O-N 3.27Å; L63-C67 PolarHBondContact O-SG 3.16Å; L64-C67 CarbonylContact O-C 3.58Å; L64-C67 WeakPolarHBondContact O-CB 3.46Å; L64-C67 PolarHBondContact O-N 3.4Å; L64-C67 VanDerWaalsContact O-N 3.15Å; C67-L70 PolarHBondContact O-N 3.25Å; C67-K71 PolarHBondContact O-N 2.97Å; C67-L72 HydrophobicContact CB-CB 4.27Å; C67-L72 WeakPolarHBondContact O-CA 3.32Å; C67-L72 WeakPolarHBondContact O-CB 3.42Å; C67-L72 PolarHBondContact O-N 3.33Å; C67-L73 HydrophobicContact CB-CB 4.4Å; C67-L73 HydrophobicContact CB-CD1 3.69Å; C67-L73 HydrophobicContact CB-CG 3.79Å; C67-L73 PolarHBondContact O-N 2.83Å; C67-L73 VanDerWaalsContact O-N 3.16Å
68V98.8Very high98.3Very high37 Ų3763.6 Ų63.622%0.22433%0.33CS..Hα-helixtrans-63.6-47169.91720000110.8L64 D65 I66 L70 K71 L73 V75 Y84L64-V68 WeakPolarHBondContact O-CG2 3.5Å; L64-V68 PolarHBondContact O-N 3.4Å; D65-V68 PolarHBondContact O-N 3.02Å; I66-V68 PolarHBondContact O-N 2.77Å; V68-L70 VanDerWaalsContact C-N 3.26Å; V68-L70 PolarHBondContact O-N 3.21Å; V68-K71 WeakPolarHBondContact O-CA 3.39Å; V68-K71 PolarHBondContact O-N 3.04Å; V68-L73 WeakPolarHBondContact CA-O 3.11Å; V68-L73 HydrophobicContact CG2-CB 3.84Å; V68-V75 HydrophobicContact CG1-CG1 3.83Å; V68-V75 HydrophobicContact CG2-CB 3.89Å; V68-V75 HydrophobicContact CG2-CG1 4.07Å; V68-Y84 HydrophobicContact CG2-CD1 3.79Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å
69S98.5Very high98Very high96 Ų9661.9 Ų61.967%0.67135%0.347SS*.Hα-helixtrans-62-34.6178.7-58.40000112.5D65 I66 K71D65-S69 PolarHBondContact O-N 2.93Å; D65-S69 PolarHBondContact O-OG 3.28Å; I66-S69 CarbonylContact O-C 3.55Å; I66-S69 WeakPolarHBondContact O-CA 3.5Å; I66-S69 WeakPolarHBondContact O-CB 3.31Å; I66-S69 PolarHBondContact O-N 3.44Å; S69-K71 PolarHBondContact O-N 3.43Å
70L98.1Very high97.7Very high56 Ų5663.8 Ų63.829%0.29337%0.367SS..THydrogen-bonded Turntrans-781.9172.8-64177.3000113.5V21 V24 I66 C67 V68 L72V21-L70 HydrophobicContact CG1-CD1 4.03Å; V21-L70 HydrophobicContact CG1-CD2 3.72Å; V21-L70 HydrophobicContact CG2-CD2 4.44Å; V24-L70 HydrophobicContact CB-CD1 4.36Å; V24-L70 HydrophobicContact CG1-CD1 3.79Å; I66-L70 HydrophobicContact CG2-CD1 4.02Å; I66-L70 HydrophobicContact CG2-CG 4.16Å; I66-L70 WeakPolarHBondContact O-CG 3.46Å; I66-L70 PolarHBondContact O-N 2.99Å; C67-L70 PolarHBondContact O-N 3.25Å; V68-L70 VanDerWaalsContact C-N 3.26Å; V68-L70 PolarHBondContact O-N 3.21Å; L70-L72 HydrophobicContact CB-CD1 4.23Å; L70-L72 HydrophobicContact CB-CG 4.04Å; L70-L72 HydrophobicContact CD1-CD1 4.44Å; L70-L72 PolarHBondContact O-N 3.33Å
71K98.6Very high97.5Very high164 Ų16469.3 Ų69.371%0.71339%0.39SS*.THydrogen-bonded Turntrans61.124.1-179.1-49.1172.7-176172.40113.7C67 V68 S69 T87C67-K71 PolarHBondContact O-N 2.97Å; V68-K71 WeakPolarHBondContact O-CA 3.39Å; V68-K71 PolarHBondContact O-N 3.04Å; S69-K71 PolarHBondContact O-N 3.43Å; K71-T87 VanDerWaalsContact O-CG2 3.24Å; K71-T87 WeakPolarHBondContact O-CG2 3.46Å; K71-T87 PolarHBondContact O-OG1 3.5Å; K71-T87 VanDerWaalsContact O-OG1 3.1Å
72L98.7Very high97.5Very high16 Ų1666.5 Ų66.58%0.08438%0.381CS..SBendtrans-83.8-32.6172.1-56.4178.8000110.5L25 F34 C67 L70 T87 L89 S90 L94L25-L72 HydrophobicContact CD1-CD1 3.77Å; F34-L72 HydrophobicContact CE1-CB 4.02Å; F34-L72 HydrophobicContact CZ-CB 4.28Å; F34-L72 HydrophobicContact CZ-CD1 4.13Å; C67-L72 HydrophobicContact CB-CB 4.27Å; C67-L72 WeakPolarHBondContact O-CA 3.32Å; C67-L72 WeakPolarHBondContact O-CB 3.42Å; C67-L72 PolarHBondContact O-N 3.33Å; L70-L72 HydrophobicContact CB-CD1 4.23Å; L70-L72 HydrophobicContact CB-CG 4.04Å; L70-L72 HydrophobicContact CD1-CD1 4.44Å; L70-L72 PolarHBondContact O-N 3.33Å; L72-T87 PolarHBondContact O-N 2.98Å; L72-T87 VanDerWaalsContact O-N 3.11Å; L72-T87 PolarHBondContact O-OG1 2.76Å; L72-L89 HydrophobicContact CD2-CD2 3.99Å; L72-S90 WeakPolarHBondContact O-CB 3.25Å; L72-S90 PolarHBondContact O-OG 3.1Å; L72-L94 HydrophobicContact CD1-CD1 4.24Å; L72-L94 HydrophobicContact CD2-CD1 3.87Å; L72-L94 HydrophobicContact CG-CD1 4.47Å
73L98.9Very high97.5Very high4 Ų464 Ų642%0.02137%0.367CS..EExtended strand (participates in β ladder)trans-120.3156.3176.7-59.7-179.4000111.6V33 F34 L37 L64 C67 V68 Y84 R85 N86V33-L73 HydrophobicContact CG1-CD1 4.47Å; F34-L73 HydrophobicContact CD1-CD2 3.92Å; F34-L73 HydrophobicContact CE1-CD2 3.83Å; F34-L73 HydrophobicContact CE1-CG 4.3Å; L37-L73 HydrophobicContact CD1-CD1 3.99Å; L37-L73 HydrophobicContact CD1-CD2 3.47Å; L37-L73 VanDerWaalsContact CD1-CD2 3.47Å; L37-L73 HydrophobicContact CD1-CG 4.39Å; L64-L73 HydrophobicContact CB-CD1 4.4Å; L64-L73 HydrophobicContact CD2-CD1 3.48Å; L64-L73 VanDerWaalsContact CD2-CD1 3.48Å; C67-L73 HydrophobicContact CB-CB 4.4Å; C67-L73 HydrophobicContact CB-CD1 3.69Å; C67-L73 HydrophobicContact CB-CG 3.79Å; C67-L73 PolarHBondContact O-N 2.83Å; C67-L73 VanDerWaalsContact O-N 3.16Å; V68-L73 WeakPolarHBondContact CA-O 3.11Å; V68-L73 HydrophobicContact CG2-CB 3.84Å; L73-Y84 HydrophobicContact CD1-CD1 4.5Å; L73-R85 CarbonylContact C-O 3.47Å; L73-R85 WeakPolarHBondContact CA-O 3.31Å; L73-N86 WeakPolarHBondContact CD2-OD1 3.41Å
74K98.7Very high97.5Very high98 Ų9863 Ų6343%0.42636%0.361SS..EExtended strand (participates in β ladder)trans-105.5146.1162.6-59.8-179.2177.4169.50108.6Y84 R85 T87K74-Y84 CarbonylContact O-C 3.56Å; K74-Y84 WeakPolarHBondContact O-CA 3.21Å; K74-R85 HydrophobicContact CB-CG 4.01Å; K74-R85 PolarHBondContact N-O 2.79Å; K74-R85 PolarHBondContact O-N 3.38Å; K74-T87 HydrophobicContact CD-CG2 4.5Å; K74-T87 HydrophobicContact CG-CG2 3.74Å
75V98.4Very high97.5Very high56 Ų5668 Ų6834%0.33938%0.38SS..EExtended strand (participates in β ladder)trans-124.2140.2175.166.90000110.8V68 A82 F83 Y84V68-V75 HydrophobicContact CG1-CG1 3.83Å; V68-V75 HydrophobicContact CG2-CB 3.89Å; V68-V75 HydrophobicContact CG2-CG1 4.07Å; V75-A82 HydrophobicContact CG2-CB 3.72Å; V75-F83 CarbonylContact C-O 3.51Å; V75-F83 VanDerWaalsContact CA-O 3.32Å; V75-F83 WeakPolarHBondContact CA-O 3.33Å; V75-Y84 HydrophobicContact CB-CD1 4.01Å; V75-Y84 HydrophobicContact CB-CE1 4.05Å; V75-Y84 HydrophobicContact CG2-CD1 3.94Å; V75-Y84 HydrophobicContact CG2-CE1 3.73Å; V75-Y84 HydrophobicContact CG2-CE2 4.47Å; V75-Y84 HydrophobicContact CG2-CG 4.43Å
76E97.5Very high97.5Very high60 Ų6065.5 Ų65.528%0.2837%0.367SS..EExtended strand (participates in β ladder)trans-125.2134.1172.4-68.1173.3-159.700109.5R78 F83 R85E76-R78 IonicContact OE2-CZ 3.34Å; E76-R78 IonicContact OE2-NE 3.69Å; E76-R78 PolarHBondContact OE2-NE 2.93Å; E76-R78 IonicContact OE2-NH2 3.12Å; E76-R78 PolarHBondContact OE2-NH2 3.28Å; E76-F83 PolarHBondContact N-O 3.39Å; E76-F83 PolarHBondContact O-N 3.1Å; E76-R85 IonicContact OE1-CZ 3.99Å; E76-R85 IonicContact OE1-NE 3.84Å; E76-R85 PolarHBondContact OE1-NE 3.46Å; E76-R85 IonicContact OE1-NH2 2.99Å; E76-R85 PolarHBondContact OE1-NH2 3.06Å
77T96.6Very high97.5Very high108 Ų10862.6 Ų62.666%0.66335%0.353SS*.EExtended strand (participates in β ladder)trans-95.7119.1176.9-52.90000110.3K81T77-K81 CarbonylContact C-O 3.52Å; T77-K81 VanDerWaalsContact CA-O 3.31Å; T77-K81 WeakPolarHBondContact CA-O 3.37Å
78R94.9Very high97.4Very high129 Ų12969.8 Ų69.849%0.48739%0.386SS..EExtended strand (participates in β ladder)trans-126.4120.7176.7-54.8175.7-176.6177.9-0.4109.3E76 G80 K81 F83E76-R78 IonicContact OE2-CZ 3.34Å; E76-R78 IonicContact OE2-NE 3.69Å; E76-R78 PolarHBondContact OE2-NE 2.93Å; E76-R78 IonicContact OE2-NH2 3.12Å; E76-R78 PolarHBondContact OE2-NH2 3.28Å; R78-G80 PolarHBondContact O-N 2.62Å; R78-K81 PolarHBondContact N-O 3.22Å; R78-K81 PolarHBondContact O-N 3.32Å; R78-F83 HydrophobicContact CB-CD2 3.93Å; R78-F83 HydrophobicContact CB-CE2 3.71Å; R78-F83 HydrophobicContact CG-CD2 4.1Å; R78-F83 HydrophobicContact CG-CE2 4.33Å
79G92.2Very high97.4Very high91 Ų9172.4 Ų72.494%0.93840%0.398SS*.THydrogen-bonded Turntrans58.532.4-179.900000114.1K81G79-K81 VanDerWaalsContact C-N 3.28Å; G79-K81 PolarHBondContact O-N 3.03Å
80G91.7Very high97.4Very high74 Ų7467.8 Ų67.876%0.76337%0.366SS*.THydrogen-bonded Turntrans79.12.4-177.300000115.2R78R78-G80 PolarHBondContact O-N 2.62Å
81K94.6Very high97.4Very high120 Ų12067.2 Ų67.252%0.52237%0.367SS..EExtended strand (participates in β ladder)trans-104.8139.9173.9-66.1-175.1173.5-166.50111.3D45 T77 R78 G79 F83D45-K81 IonicContact OD2-NZ 3.46Å; T77-K81 CarbonylContact C-O 3.52Å; T77-K81 VanDerWaalsContact CA-O 3.31Å; T77-K81 WeakPolarHBondContact CA-O 3.37Å; R78-K81 PolarHBondContact N-O 3.22Å; R78-K81 PolarHBondContact O-N 3.32Å; G79-K81 VanDerWaalsContact C-N 3.28Å; G79-K81 PolarHBondContact O-N 3.03Å; K81-F83 HydrophobicContact CB-CD2 4.41Å; K81-F83 HydrophobicContact CB-CE2 3.7Å; K81-F83 HydrophobicContact CB-CZ 4.27Å; K81-F83 WeakPolarHBondContact O-CD2 3.36Å
82A98Very high97.4Very high25 Ų2563 Ų6321%0.20735%0.352CS..EExtended strand (participates in β ladder)trans-81.3134.9172.500000110.7D45 V75 Y84D45-A82 WeakPolarHBondContact CA-O 3.47Å; D45-A82 WeakPolarHBondContact CB-O 3.32Å; V75-A82 HydrophobicContact CG2-CB 3.72Å; A82-Y84 HydrophobicContact CB-CE2 3.7Å; A82-Y84 WeakPolarHBondContact CB-OH 3.43Å
83F98.7Very high97.4Very high41 Ų4166.3 Ų66.318%0.1836%0.364CS..EExtended strand (participates in β ladder)trans-125.4123.9176-68.3-96.2000110.2P43 L44 D45 V75 E76 R78 K81P43-F83 HydrophobicContact CB-CB 3.75Å; L44-F83 CarbonylContact O-C 3.56Å; L44-F83 VanDerWaalsContact O-CA 3.31Å; L44-F83 WeakPolarHBondContact O-CA 3.43Å; D45-F83 HydrophobicContact CB-CD1 4.06Å; D45-F83 HydrophobicContact CB-CE1 3.9Å; D45-F83 HydrophobicContact CB-CZ 4.29Å; V75-F83 CarbonylContact C-O 3.51Å; V75-F83 VanDerWaalsContact CA-O 3.32Å; V75-F83 WeakPolarHBondContact CA-O 3.33Å; E76-F83 PolarHBondContact N-O 3.39Å; E76-F83 PolarHBondContact O-N 3.1Å; R78-F83 HydrophobicContact CB-CD2 3.93Å; R78-F83 HydrophobicContact CB-CE2 3.71Å; R78-F83 HydrophobicContact CG-CD2 4.1Å; R78-F83 HydrophobicContact CG-CE2 4.33Å; K81-F83 HydrophobicContact CB-CD2 4.41Å; K81-F83 HydrophobicContact CB-CE2 3.7Å; K81-F83 HydrophobicContact CB-CZ 4.27Å; K81-F83 WeakPolarHBondContact O-CD2 3.36Å
84Y98.9Very high97.4Very high1 Ų166.6 Ų66.60%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-105.7148.8-170.6-56.3-95.6000111.4L37 P43 L44 V46 L64 D65 V68 L73 K74 V75 A82L37-Y84 WeakPolarHBondContact CD2-O 3.45Å; P43-Y84 CarbonylContact C-O 3.6Å; P43-Y84 WeakPolarHBondContact CA-O 3.18Å; L44-Y84 PolarHBondContact N-O 2.79Å; L44-Y84 PolarHBondContact O-N 3.41Å; V46-Y84 HydrophobicContact CG2-CE2 3.65Å; L64-Y84 HydrophobicContact CB-CD1 3.83Å; L64-Y84 HydrophobicContact CB-CE1 3.63Å; L64-Y84 HydrophobicContact CB-CE2 4.37Å; L64-Y84 HydrophobicContact CB-CG 4.27Å; L64-Y84 HydrophobicContact CD1-CD1 4.43Å; L64-Y84 HydrophobicContact CD1-CD2 3.74Å; L64-Y84 HydrophobicContact CD1-CE2 3.89Å; L64-Y84 HydrophobicContact CD1-CG 4.03Å; D65-Y84 WeakPolarHBondContact OD1-CE1 3.32Å; D65-Y84 PolarHBondContact OD1-OH 2.69Å; V68-Y84 HydrophobicContact CG2-CD1 3.79Å; V68-Y84 HydrophobicContact CG2-CE1 3.89Å; L73-Y84 HydrophobicContact CD1-CD1 4.5Å; K74-Y84 CarbonylContact O-C 3.56Å; K74-Y84 WeakPolarHBondContact O-CA 3.21Å; V75-Y84 HydrophobicContact CB-CD1 4.01Å; V75-Y84 HydrophobicContact CB-CE1 4.05Å; V75-Y84 HydrophobicContact CG2-CD1 3.94Å; V75-Y84 HydrophobicContact CG2-CE1 3.73Å; V75-Y84 HydrophobicContact CG2-CE2 4.47Å; V75-Y84 HydrophobicContact CG2-CG 4.43Å; A82-Y84 HydrophobicContact CB-CE2 3.7Å; A82-Y84 WeakPolarHBondContact CB-OH 3.43Å
85R98.7Very high97.3Very high105 Ų10562.3 Ų62.340%0.39635%0.348SS..EExtended strand (participates in β ladder)trans-150.1158.6170.558.4171165.9166.4-5.2110.7P43 L73 K74 E76P43-R85 HydrophobicContact CB-CB 4.46Å; P43-R85 HydrophobicContact CG-CB 4.31Å; P43-R85 HydrophobicContact CG-CG 4.44Å; L73-R85 CarbonylContact C-O 3.47Å; L73-R85 WeakPolarHBondContact CA-O 3.31Å; K74-R85 HydrophobicContact CB-CG 4.01Å; K74-R85 PolarHBondContact N-O 2.79Å; K74-R85 PolarHBondContact O-N 3.38Å; E76-R85 IonicContact OE1-CZ 3.99Å; E76-R85 IonicContact OE1-NE 3.84Å; E76-R85 PolarHBondContact OE1-NE 3.46Å; E76-R85 IonicContact OE1-NH2 2.99Å; E76-R85 PolarHBondContact OE1-NH2 3.06Å
86N98.8Very high97.2Very high17 Ų1763 Ų639%0.09135%0.352CS..EExtended strand (participates in β ladder)trans-59.2145.7173.9-72.1-8.1000112.3F34 L37 L73 S90 S91F34-N86 PolarHBondContact O-ND2 3.04Å; L37-N86 WeakPolarHBondContact CB-OD1 3.49Å; L73-N86 WeakPolarHBondContact CD2-OD1 3.41Å; N86-S90 VanDerWaalsContact CA-OG 3.27Å; N86-S90 WeakPolarHBondContact CA-OG 3.45Å; N86-S90 WeakPolarHBondContact CB-OG 3.36Å; N86-S91 VanDerWaalsContact CB-OG 3.31Å; N86-S91 WeakPolarHBondContact CB-OG 3.17Å
87T98.7Very high97Very high17 Ų1765.8 Ų65.810%0.10437%0.373CS..  trans-79.6166.8156.161.80000110.4K71 L72 K74 L89 S90 S91K71-T87 VanDerWaalsContact O-CG2 3.24Å; K71-T87 WeakPolarHBondContact O-CG2 3.46Å; K71-T87 PolarHBondContact O-OG1 3.5Å; K71-T87 VanDerWaalsContact O-OG1 3.1Å; L72-T87 PolarHBondContact O-N 2.98Å; L72-T87 VanDerWaalsContact O-N 3.11Å; L72-T87 PolarHBondContact O-OG1 2.76Å; K74-T87 HydrophobicContact CD-CG2 4.5Å; K74-T87 HydrophobicContact CG-CG2 3.74Å; T87-L89 VanDerWaalsContact C-N 3.26Å; T87-L89 PolarHBondContact O-N 2.87Å; T87-S90 PolarHBondContact N-OG 2.97Å; T87-S90 PolarHBondContact O-N 3.14Å; T87-S90 VanDerWaalsContact O-N 3.17Å; T87-S90 PolarHBondContact O-OG 2.84Å; T87-S90 PolarHBondContact OG1-N 3.49Å; T87-S90 PolarHBondContact OG1-OG 3.27Å; T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.43Å; T87-S91 PolarHBondContact O-OG 2.81Å
88E98.3Very high97Very high150 Ų15061.6 Ų61.670%0.70135%0.348SS*.Hα-helixtrans-53.1-45.8171.5-70.9166.7-162.100111.1S90 S91 D92E88-S90 PolarHBondContact O-N 2.85Å; E88-S91 PolarHBondContact O-N 3.12Å; E88-S91 VanDerWaalsContact O-N 3.14Å; E88-D92 WeakPolarHBondContact O-CB 3.44Å; E88-D92 VanDerWaalsContact O-CG 3.23Å; E88-D92 PolarHBondContact O-N 3.05Å
89L98.3Very high96.9Very high92 Ų9261 Ų6148%0.48236%0.361SS..Hα-helixtrans-54-49.5175.5-18071.6000112.6L72 T87 Y93L72-L89 HydrophobicContact CD2-CD2 3.99Å; T87-L89 VanDerWaalsContact C-N 3.26Å; T87-L89 PolarHBondContact O-N 2.87Å; L89-Y93 HydrophobicContact CD1-CD2 3.8Å; L89-Y93 HydrophobicContact CD1-CE2 4.12Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 2.89Å; L89-Y93 VanDerWaalsContact O-N 3.1Å
90S98.7Very high97.1Very high0 Ų058.4 Ų58.40%033%0.327CS..Hα-helixtrans-71.7-32.8178.961.80000113.1L72 N86 T87 E88 L94 T95L72-S90 WeakPolarHBondContact O-CB 3.25Å; L72-S90 PolarHBondContact O-OG 3.1Å; N86-S90 VanDerWaalsContact CA-OG 3.27Å; N86-S90 WeakPolarHBondContact CA-OG 3.45Å; N86-S90 WeakPolarHBondContact CB-OG 3.36Å; T87-S90 PolarHBondContact N-OG 2.97Å; T87-S90 PolarHBondContact O-N 3.14Å; T87-S90 VanDerWaalsContact O-N 3.17Å; T87-S90 PolarHBondContact O-OG 2.84Å; T87-S90 PolarHBondContact OG1-N 3.49Å; T87-S90 PolarHBondContact OG1-OG 3.27Å; E88-S90 PolarHBondContact O-N 2.85Å; S90-L94 CarbonylContact O-C 3.51Å; S90-L94 VanDerWaalsContact O-CA 3.23Å; S90-L94 WeakPolarHBondContact O-CA 3.33Å; S90-L94 VanDerWaalsContact O-CB 3.26Å; S90-L94 WeakPolarHBondContact O-CB 3.27Å; S90-L94 PolarHBondContact O-N 2.81Å; S90-T95 PolarHBondContact O-N 2.89Å
91S98.3Very high97.4Very high44 Ų4455.2 Ų55.231%0.30829%0.293SS..Hα-helixtrans-64.6-45.8175.5-68.90000110.7N86 T87 E88 T95N86-S91 VanDerWaalsContact CB-OG 3.31Å; N86-S91 WeakPolarHBondContact CB-OG 3.17Å; T87-S91 WeakPolarHBondContact O-CB 3.3Å; T87-S91 PolarHBondContact O-N 3.43Å; T87-S91 PolarHBondContact O-OG 2.81Å; E88-S91 PolarHBondContact O-N 3.12Å; E88-S91 VanDerWaalsContact O-N 3.14Å; S91-T95 PolarHBondContact O-OG1 3.22Å
92D98Very high97.6Very high76 Ų7651.2 Ų51.241%0.40628%0.276SS..Hα-helixtrans-73.5-39.6-174.8-65.8-13.3000112.3E88 S98 T100E88-D92 WeakPolarHBondContact O-CB 3.44Å; E88-D92 VanDerWaalsContact O-CG 3.23Å; E88-D92 PolarHBondContact O-N 3.05Å; D92-S98 VanDerWaalsContact O-CB 3.25Å; D92-S98 WeakPolarHBondContact O-CB 3.47Å; D92-S98 PolarHBondContact O-OG 3.16Å; D92-T100 CarbonylContact O-C 3.55Å; D92-T100 PolarHBondContact O-OG1 3.36Å
93Y98.5Very high97.6Very high85 Ų8550.1 Ų50.133%0.33327%0.267SS..Hα-helixtrans-114.4-15.9-170.9-59-79.2000114.5L89 T100 Q102 V166L89-Y93 HydrophobicContact CD1-CD2 3.8Å; L89-Y93 HydrophobicContact CD1-CE2 4.12Å; L89-Y93 WeakPolarHBondContact O-CD2 3.43Å; L89-Y93 PolarHBondContact O-N 2.89Å; L89-Y93 VanDerWaalsContact O-N 3.1Å; Y93-T100 WeakPolarHBondContact CD1-O 3.47Å; Y93-Q102 HydrophobicContact CD1-CG 4.12Å; Y93-Q102 PolarHBondContact O-N 2.82Å; Y93-V166 HydrophobicContact CD1-CG2 4.3Å; Y93-V166 HydrophobicContact CE1-CG2 3.91Å
94L98.5Very high97.5Very high10 Ų1049 Ų495%0.05226%0.264CS..Hα-helixtrans-118.67.8-173.5-49.5179.9000113.7L25 F34 L72 S90 C103 L106L25-L94 HydrophobicContact CD1-CD1 3.72Å; L25-L94 HydrophobicContact CD1-CD2 3.99Å; F34-L94 HydrophobicContact CB-CB 4.22Å; F34-L94 WeakPolarHBondContact CB-O 3.44Å; F34-L94 HydrophobicContact CD1-CB 4.29Å; F34-L94 HydrophobicContact CD1-CD1 4.44Å; F34-L94 HydrophobicContact CD2-CB 3.57Å; F34-L94 HydrophobicContact CD2-CD1 4.2Å; F34-L94 HydrophobicContact CD2-CG 4.49Å; F34-L94 HydrophobicContact CE1-CD1 3.98Å; F34-L94 HydrophobicContact CE2-CB 3.95Å; F34-L94 HydrophobicContact CE2-CD1 3.71Å; F34-L94 HydrophobicContact CE2-CG 4.41Å; F34-L94 HydrophobicContact CG-CB 3.76Å; F34-L94 HydrophobicContact CZ-CB 4.46Å; F34-L94 HydrophobicContact CZ-CD1 3.59Å; L72-L94 HydrophobicContact CD1-CD1 4.24Å; L72-L94 HydrophobicContact CD2-CD1 3.87Å; L72-L94 HydrophobicContact CG-CD1 4.47Å; S90-L94 CarbonylContact O-C 3.51Å; S90-L94 VanDerWaalsContact O-CA 3.23Å; S90-L94 WeakPolarHBondContact O-CA 3.33Å; S90-L94 VanDerWaalsContact O-CB 3.26Å; S90-L94 WeakPolarHBondContact O-CB 3.27Å; S90-L94 PolarHBondContact O-N 2.81Å; L94-C103 PolarHBondContact O-SG 3.07Å; L94-L106 HydrophobicContact CD2-CD1 3.27Å
95T98.2Very high97.4Very high8 Ų850.6 Ų50.65%0.04927%0.272CS..SBendtrans-103.5139.5166.668.60000109.8F34 D35 A38 S90 S91 V97 S98 S101F34-T95 HydrophobicContact CB-CG2 4.24Å; D35-T95 WeakPolarHBondContact OD1-CA 3.15Å; A38-T95 HydrophobicContact CB-CG2 3.8Å; S90-T95 PolarHBondContact O-N 2.89Å; S91-T95 PolarHBondContact O-OG1 3.22Å; T95-V97 VanDerWaalsContact C-N 3.33Å; T95-V97 PolarHBondContact O-N 3.43Å; T95-S98 PolarHBondContact O-N 2.82Å; T95-S98 WeakPolarHBondContact OG1-CB 3.5Å; T95-S101 WeakPolarHBondContact O-CB 3.23Å; T95-S101 PolarHBondContact O-OG 3.25Å
96T95.4Very high97.4Very high69 Ų6946.5 Ų46.542%0.42326%0.258SS..THydrogen-bonded Turntrans-71.5-26-175.652.80000113.3D35 S98 C103D35-T96 VanDerWaalsContact CG-OG1 3.24Å; D35-T96 PolarHBondContact OD1-N 3.26Å; D35-T96 PolarHBondContact OD1-OG1 3.33Å; D35-T96 VanDerWaalsContact OD2-CG2 3.26Å; D35-T96 WeakPolarHBondContact OD2-CG2 3.28Å; D35-T96 PolarHBondContact OD2-OG1 3.11Å; T96-S98 VanDerWaalsContact C-N 3.32Å; T96-C103 HydrophobicContact CG2-CB 4.01Å
97V93.1Very high97.2Very high119 Ų11948 Ų4872%0.72126%0.263SS*.THydrogen-bonded Turntrans-80.1-13.6177.9-61.20000113.4T95T95-V97 VanDerWaalsContact C-N 3.33Å; T95-V97 PolarHBondContact O-N 3.43Å
98S96.5Very high97.2Very high20 Ų2048 Ų4814%0.1426%0.261CS..SBendtrans-70.5137.5179.4176.90000111.1D92 T95 T96 T100 S101D92-S98 VanDerWaalsContact O-CB 3.25Å; D92-S98 WeakPolarHBondContact O-CB 3.47Å; D92-S98 PolarHBondContact O-OG 3.16Å; T95-S98 PolarHBondContact O-N 2.82Å; T95-S98 WeakPolarHBondContact OG1-CB 3.5Å; T96-S98 VanDerWaalsContact C-N 3.32Å; S98-T100 PolarHBondContact O-N 3.27Å; S98-T100 VanDerWaalsContact O-N 3.17Å; S98-T100 PolarHBondContact OG-N 3.41Å; S98-T100 PolarHBondContact OG-OG1 3.4Å; S98-S101 WeakPolarHBondContact O-CB 3.15Å; S98-S101 PolarHBondContact O-N 3.15Å; S98-S101 VanDerWaalsContact O-N 3.11Å
99P93.7Very high97.1Very high116 Ų11644.4 Ų44.475%0.75325%0.246SC*.THydrogen-bonded Turntrans-63.5-19.7174.927.6-35.7000113.2S165P99-S165 WeakPolarHBondContact O-CB 3.35Å; P99-S165 PolarHBondContact O-OG 3.42Å
100T96.6Very high97Very high38 Ų3840.7 Ų40.723%0.23323%0.229CC..THydrogen-bonded Turntrans-104.915.5177.451.10000113.3D92 Y93 S98 Q102 V166D92-T100 CarbonylContact O-C 3.55Å; D92-T100 PolarHBondContact O-OG1 3.36Å; Y93-T100 WeakPolarHBondContact CD1-O 3.47Å; S98-T100 PolarHBondContact O-N 3.27Å; S98-T100 VanDerWaalsContact O-N 3.17Å; S98-T100 PolarHBondContact OG-N 3.41Å; S98-T100 PolarHBondContact OG-OG1 3.4Å; T100-Q102 PolarHBondContact O-N 2.92Å; T100-Q102 PolarHBondContact O-NE2 3.13Å; T100-V166 HydrophobicContact CG2-CG2 4.47Å
101S97.8Very high96.8Very high6 Ų644.9 Ų44.94%0.04225%0.245CC..  trans-51.2140.8-179.8-163.10000112.1T95 S98 C103 E162T95-S101 WeakPolarHBondContact O-CB 3.23Å; T95-S101 PolarHBondContact O-OG 3.25Å; S98-S101 WeakPolarHBondContact O-CB 3.15Å; S98-S101 PolarHBondContact O-N 3.15Å; S98-S101 VanDerWaalsContact O-N 3.11Å; S101-C103 PolarHBondContact OG-N 3.15Å; S101-E162 VanDerWaalsContact O-CB 3.25Å; S101-E162 WeakPolarHBondContact O-CB 3.41Å; S101-E162 WeakPolarHBondContact O-CG 3.42Å
102Q97.8Very high96.7Very high37 Ų3742.8 Ų42.817%0.17323%0.231CC..  trans-120.616.1172.7-57.6-61.1-66.900110.9Y93 T100 S104 M105 L106 E162Y93-Q102 HydrophobicContact CD1-CG 4.12Å; Y93-Q102 PolarHBondContact O-N 2.82Å; T100-Q102 PolarHBondContact O-N 2.92Å; T100-Q102 PolarHBondContact O-NE2 3.13Å; Q102-S104 PolarHBondContact O-N 3.09Å; Q102-M105 PolarHBondContact O-N 3.25Å; Q102-L106 VanDerWaalsContact O-CG 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.49Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.47Å; Q102-E162 PolarHBondContact NE2-O 3.1Å
103C97.5Very high96.6Very high1 Ų139.7 Ų39.71%0.00722%0.215CC..Hα-helixtrans-62.6-42.1-175.1-76.40000113L94 T96 S101 L106 K107 E162L94-C103 PolarHBondContact O-SG 3.07Å; T96-C103 HydrophobicContact CG2-CB 4.01Å; S101-C103 PolarHBondContact OG-N 3.15Å; C103-L106 PolarHBondContact O-N 2.96Å; C103-K107 WeakPolarHBondContact O-CB 3.2Å; C103-K107 VanDerWaalsContact O-CG 3.26Å; C103-K107 WeakPolarHBondContact O-CG 3.4Å; C103-K107 PolarHBondContact O-N 2.76Å; C103-E162 PolarHBondContact N-OE2 3.03Å
104S96.7Very high96.6Very high17 Ų1739.5 Ų39.512%0.11921%0.214CC..Hα-helixtrans-68.7-39.2179.6-49.20000110.7Q102 K107 Y108 Q155 E162Q102-S104 PolarHBondContact O-N 3.09Å; S104-K107 PolarHBondContact O-N 3.31Å; S104-Y108 WeakPolarHBondContact O-CB 3.37Å; S104-Y108 PolarHBondContact O-N 3.07Å; S104-Q155 PolarHBondContact O-NE2 3.02Å; S104-E162 WeakPolarHBondContact CA-OE2 3.47Å; S104-E162 WeakPolarHBondContact CB-OE1 3.32Å; S104-E162 WeakPolarHBondContact CB-OE2 3.23Å; S104-E162 VanDerWaalsContact N-CD 3.3Å; S104-E162 PolarHBondContact N-OE1 2.82Å; S104-E162 PolarHBondContact N-OE2 3.18Å; S104-E162 PolarHBondContact OG-OE1 2.87Å
105M97.5Very high96.5Very high36 Ų3645.7 Ų45.718%0.17724%0.237CC..Hα-helixtrans-59.9-47.5172.4178.95477.700111.4Q102 K107 Y108 M109 A159 L160 E162 V163Q102-M105 PolarHBondContact O-N 3.25Å; M105-K107 PolarHBondContact O-N 3.37Å; M105-Y108 PolarHBondContact O-N 3.01Å; M105-M109 HydrophobicContact CG-SD 4.2Å; M105-M109 VanDerWaalsContact O-CG 3.29Å; M105-M109 WeakPolarHBondContact O-CG 3.48Å; M105-M109 PolarHBondContact O-N 3.16Å; M105-M109 HydrophobicContact SD-CG 4.11Å; M105-M109 HydrophobicContact SD-SD 4.36Å; M105-A159 HydrophobicContact CB-CB 4.31Å; M105-A159 HydrophobicContact CE-CB 4.1Å; M105-A159 WeakPolarHBondContact CE-O 3.49Å; M105-A159 HydrophobicContact SD-CB 4.21Å; M105-L160 HydrophobicContact CE-CD2 4.32Å; M105-E162 PolarHBondContact N-OE2 3.25Å; M105-V163 HydrophobicContact CE-CG2 3.33Å
106L97.8Very high96.4Very high19 Ų1945.3 Ų45.310%0.09924%0.235CC..Hα-helixtrans-64.7-38.2178-69.3171.5000112.7L25 F26 L94 Q102 C103 M109 G110L25-L106 HydrophobicContact CD1-CD1 4.03Å; L25-L106 HydrophobicContact CD2-CD1 4.05Å; L25-L106 HydrophobicContact CD2-CD2 3.62Å; L25-L106 HydrophobicContact CD2-CG 4.5Å; L25-L106 HydrophobicContact CG-CD1 3.95Å; L25-L106 HydrophobicContact CG-CD2 4.09Å; F26-L106 HydrophobicContact CD1-CB 4.15Å; F26-L106 HydrophobicContact CD1-CD2 4.11Å; F26-L106 VanDerWaalsContact CD1-O 3.27Å; F26-L106 WeakPolarHBondContact CD1-O 3.43Å; F26-L106 HydrophobicContact CE1-CB 4.47Å; F26-L106 HydrophobicContact CE1-CD2 3.78Å; L94-L106 HydrophobicContact CD2-CD1 3.27Å; Q102-L106 VanDerWaalsContact O-CG 3.29Å; Q102-L106 WeakPolarHBondContact O-CG 3.48Å; Q102-L106 PolarHBondContact O-N 3.49Å; C103-L106 PolarHBondContact O-N 2.96Å; L106-M109 HydrophobicContact CD2-SD 4.41Å; L106-M109 PolarHBondContact O-N 2.94Å; L106-G110 PolarHBondContact O-N 3.31Å
107K96.2Very high96.5Very high48 Ų4845.7 Ų45.721%0.20923%0.228CC..Hα-helixtrans-63.6-44.4173.4-75.2169.4-178.1173.50111.4C29 C103 S104 M105 G110 R111C29-K107 WeakPolarHBondContact O-CE 3.22Å; C103-K107 WeakPolarHBondContact O-CB 3.2Å; C103-K107 VanDerWaalsContact O-CG 3.26Å; C103-K107 WeakPolarHBondContact O-CG 3.4Å; C103-K107 PolarHBondContact O-N 2.76Å; S104-K107 PolarHBondContact O-N 3.31Å; M105-K107 PolarHBondContact O-N 3.37Å; K107-G110 PolarHBondContact O-N 3.4Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 WeakPolarHBondContact O-CG 3.46Å; K107-R111 PolarHBondContact O-N 2.87Å
108Y97Very high96.7Very high16 Ų1643.2 Ų43.26%0.06323%0.226CC..Hα-helixtrans-60.8-45.8174.6176.3-97.5000111.5S104 M105 G110 R111 T112 S113 Y131 F156 A159 Q306S104-Y108 WeakPolarHBondContact O-CB 3.37Å; S104-Y108 PolarHBondContact O-N 3.07Å; M105-Y108 PolarHBondContact O-N 3.01Å; Y108-G110 PolarHBondContact O-N 3.47Å; Y108-R111 PolarHBondContact O-N 2.72Å; Y108-T112 HydrophobicContact CE2-CG2 3.89Å; Y108-T112 WeakPolarHBondContact O-CA 3.36Å; Y108-T112 WeakPolarHBondContact O-CB 3.41Å; Y108-T112 PolarHBondContact O-N 2.69Å; Y108-S113 WeakPolarHBondContact CE1-OG 3.49Å; Y108-S113 PolarHBondContact O-N 3.03Å; Y108-Y131 PolarHBondContact OH-OH 3.43Å; Y108-F156 HydrophobicContact CD2-CD2 4.4Å; Y108-F156 HydrophobicContact CE2-CB 4.35Å; Y108-F156 AromaticContact CE2-CD2 3.66Å; Y108-F156 HydrophobicContact CE2-CD2 3.66Å; Y108-F156 HydrophobicContact CE2-CG 4.5Å; Y108-F156 AromaticContact CZ-CD2 3.73Å; Y108-A159 HydrophobicContact CG-CB 4.16Å; Y108-Q306 PolarHBondContact OH-OE1 3.37Å
109M97.2Very high96.7Very high76 Ų7645.1 Ų45.137%0.37423%0.233SC..Iπ-helixtrans-59.6-44.6176.5-71.6177.474.500112F26 M105 L106 S113 Y114F26-M109 HydrophobicContact CE1-CB 3.78Å; F26-M109 HydrophobicContact CZ-CB 3.73Å; F26-M109 HydrophobicContact CZ-CE 4.34Å; M105-M109 HydrophobicContact CG-SD 4.2Å; M105-M109 VanDerWaalsContact O-CG 3.29Å; M105-M109 WeakPolarHBondContact O-CG 3.48Å; M105-M109 PolarHBondContact O-N 3.16Å; M105-M109 HydrophobicContact SD-CG 4.11Å; M105-M109 HydrophobicContact SD-SD 4.36Å; L106-M109 HydrophobicContact CD2-SD 4.41Å; L106-M109 PolarHBondContact O-N 2.94Å; M109-S113 PolarHBondContact O-N 3.46Å; M109-Y114 VanDerWaalsContact O-CB 3.25Å; M109-Y114 WeakPolarHBondContact O-CB 3.27Å; M109-Y114 PolarHBondContact O-N 3.5Å
110G96.5Very high97Very high13 Ų1341.7 Ų41.713%0.13421%0.208CC..Iπ-helixtrans-69.4-39.5179.100000114.2L106 K107 Y108L106-G110 PolarHBondContact O-N 3.31Å; K107-G110 PolarHBondContact O-N 3.4Å; Y108-G110 PolarHBondContact O-N 3.47Å
111R95.1Very high97Very high89 Ų8942.5 Ų42.534%0.33622%0.219SC..Iπ-helixtrans-85-34.1-174.7-70176.8173.1176.1-3.6113.8E30 K107 Y108 R115E30-R111 IonicContact OE1-CZ 3.81Å; E30-R111 IonicContact OE1-NE 2.94Å; E30-R111 PolarHBondContact OE1-NE 3.12Å; E30-R111 IonicContact OE1-NH2 3.54Å; E30-R111 PolarHBondContact OE1-NH2 3.11Å; K107-R111 WeakPolarHBondContact O-CB 3.37Å; K107-R111 WeakPolarHBondContact O-CG 3.46Å; K107-R111 PolarHBondContact O-N 2.87Å; Y108-R111 PolarHBondContact O-N 2.72Å; R111-R115 WeakPolarHBondContact O-CD 3.48Å; R111-R115 PolarHBondContact O-NE 3.41Å
112T95.5Very high97Very high0 Ų044.6 Ų44.60%023%0.229CC..Iπ-helixtrans-112-69.2-175.2-60.70000111.2Y108 Y114 R115 C116 Y131 F135 R148Y108-T112 HydrophobicContact CE2-CG2 3.89Å; Y108-T112 WeakPolarHBondContact O-CA 3.36Å; Y108-T112 WeakPolarHBondContact O-CB 3.41Å; Y108-T112 PolarHBondContact O-N 2.69Å; T112-Y114 PolarHBondContact O-N 3.37Å; T112-R115 PolarHBondContact O-N 3.13Å; T112-R115 VanDerWaalsContact O-N 3.11Å; T112-C116 PolarHBondContact O-N 2.93Å; T112-C116 VanDerWaalsContact O-N 3.14Å; T112-Y131 HydrophobicContact CG2-CE1 4.21Å; T112-F135 HydrophobicContact CG2-CE2 4.14Å; T112-F135 HydrophobicContact CG2-CZ 4.29Å; T112-R148 PolarHBondContact OG1-NH2 3.48Å
113S96.1Very high97Very high11 Ų1142.8 Ų42.88%0.07722%0.221CC..Iπ-helixtrans-55.8-50.7-172-52.50000112.3Y108 M109 R115 C116 W117 Q306Y108-S113 WeakPolarHBondContact CE1-OG 3.49Å; Y108-S113 PolarHBondContact O-N 3.03Å; M109-S113 PolarHBondContact O-N 3.46Å; S113-R115 PolarHBondContact O-N 3.28Å; S113-C116 PolarHBondContact O-N 2.9Å; S113-C116 VanDerWaalsContact O-N 3.15Å; S113-W117 PolarHBondContact O-N 2.92Å; S113-Q306 VanDerWaalsContact CB-NE2 3.29Å; S113-Q306 PolarHBondContact OG-NE2 2.99Å
114Y97.1Very high97Very high80 Ų8047.2 Ų47.231%0.31425%0.248SC..Hα-helixtrans-58.1-36.6-177.6-174.5-83.1000112.3F19 Q23 F26 M109 T112 G118F19-Y114 HydrophobicContact CB-CE2 4.08Å; F19-Y114 WeakPolarHBondContact CD2-OH 3.49Å; Q23-Y114 HydrophobicContact CG-CE1 4.38Å; Q23-Y114 HydrophobicContact CG-CE2 3.89Å; Q23-Y114 VanDerWaalsContact NE2-CZ 3.33Å; F26-Y114 HydrophobicContact CE2-CD2 4.07Å; M109-Y114 VanDerWaalsContact O-CB 3.25Å; M109-Y114 WeakPolarHBondContact O-CB 3.27Å; M109-Y114 PolarHBondContact O-N 3.5Å; T112-Y114 PolarHBondContact O-N 3.37Å; Y114-G118 PolarHBondContact O-N 3.33Å
115R96.9Very high97.1Very high141 Ų14155.1 Ų55.153%0.53228%0.275SS..Hα-helixtrans-70.9-44.6178.3-60.6-170.2-177.5178.11.7111.4R111 T112 S113 W117 G118 T134 F135R111-R115 WeakPolarHBondContact O-CD 3.48Å; R111-R115 PolarHBondContact O-NE 3.41Å; T112-R115 PolarHBondContact O-N 3.13Å; T112-R115 VanDerWaalsContact O-N 3.11Å; S113-R115 PolarHBondContact O-N 3.28Å; R115-W117 VanDerWaalsContact C-N 3.29Å; R115-W117 PolarHBondContact O-N 2.99Å; R115-G118 WeakPolarHBondContact O-CA 3.37Å; R115-G118 PolarHBondContact O-N 3.42Å; R115-T134 HydrophobicContact CB-CG2 3.43Å; R115-T134 VanDerWaalsContact CB-CG2 3.43Å; R115-F135 HydrophobicContact CB-CZ 4.41Å
116C96.7Very high97Very high0 Ų057.9 Ų57.90%029%0.287CS..Hα-helixtrans-61.5-38.5174.6-60.50000111.9T112 S113 G118 H119 T134 V305 Q306T112-C116 PolarHBondContact O-N 2.93Å; T112-C116 VanDerWaalsContact O-N 3.14Å; S113-C116 PolarHBondContact O-N 2.9Å; S113-C116 VanDerWaalsContact O-N 3.15Å; C116-G118 PolarHBondContact O-N 3.21Å; C116-H119 PolarHBondContact O-N 3.42Å; C116-T134 WeakPolarHBondContact CA-OG1 3.5Å; C116-V305 HydrophobicContact CB-CG1 3.45Å; C116-V305 VanDerWaalsContact CB-CG1 3.45Å; C116-Q306 HydrophobicContact CB-CG 4.43Å
117W97.6Very high96.8Very high77 Ų7759.6 Ų59.629%0.29231%0.309SS..Hα-helixtrans-63.9-21.8174.4-85.174.2000113.2S113 R115 H119 L120 L298 L301 N302 V305S113-W117 PolarHBondContact O-N 2.92Å; R115-W117 VanDerWaalsContact C-N 3.29Å; R115-W117 PolarHBondContact O-N 2.99Å; W117-H119 PolarHBondContact O-N 3.28Å; W117-L120 HydrophobicContact CE3-CD2 3.85Å; W117-L120 HydrophobicContact CZ3-CD2 3.79Å; W117-L120 VanDerWaalsContact O-CB 3.27Å; W117-L120 WeakPolarHBondContact O-CB 3.36Å; W117-L120 PolarHBondContact O-N 2.81Å; W117-L120 VanDerWaalsContact O-N 3.09Å; W117-L298 HydrophobicContact CH2-CD2 4.17Å; W117-L301 HydrophobicContact CH2-CB 4.17Å; W117-L301 HydrophobicContact CH2-CD2 3.75Å; W117-L301 HydrophobicContact CH2-CG 3.97Å; W117-L301 HydrophobicContact CZ2-CB 4.47Å; W117-L301 HydrophobicContact CZ2-CG 4.47Å; W117-L301 HydrophobicContact CZ3-CD2 4.01Å; W117-N302 HydrophobicContact CZ2-CB 4.07Å; W117-N302 PolarHBondContact NE1-OD1 3.35Å; W117-V305 HydrophobicContact CG-CG1 4.46Å
118G97.2Very high96.7Very high66 Ų6661.6 Ų61.668%0.6832%0.315SS*.THydrogen-bonded Turntrans-58.6-22.5168.700000113.5Y114 R115 C116Y114-G118 PolarHBondContact O-N 3.33Å; R115-G118 WeakPolarHBondContact O-CA 3.37Å; R115-G118 PolarHBondContact O-N 3.42Å; C116-G118 PolarHBondContact O-N 3.21Å
119H97.4Very high96.6Very high60 Ų6061.7 Ų61.728%0.27832%0.317SS..THydrogen-bonded Turntrans-106.319177.8-63.8-83.5000113.1C116 W117 A121 D122 A123 Q130 T134C116-H119 PolarHBondContact O-N 3.42Å; W117-H119 PolarHBondContact O-N 3.28Å; H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 3.09Å; H119-D122 IonicContact ND1-OD2 2.69Å; H119-D122 PolarHBondContact O-N 3.33Å; H119-A123 PolarHBondContact O-N 3.17Å; H119-Q130 HydrophobicContact CB-CB 3.86Å; H119-Q130 HydrophobicContact CB-CG 3.82Å; H119-T134 PolarHBondContact CD2-OG1 2.7Å
120L98Very high96.5Very high44 Ų4458 Ų5823%0.2330%0.299CS..Hα-helixtrans-54.8-39.7-176.4174.963.7000113.5W117 D122 A123 V124 L301 V305W117-L120 HydrophobicContact CE3-CD2 3.85Å; W117-L120 HydrophobicContact CZ3-CD2 3.79Å; W117-L120 VanDerWaalsContact O-CB 3.27Å; W117-L120 WeakPolarHBondContact O-CB 3.36Å; W117-L120 PolarHBondContact O-N 2.81Å; W117-L120 VanDerWaalsContact O-N 3.09Å; L120-D122 VanDerWaalsContact C-N 3.27Å; L120-D122 PolarHBondContact O-N 2.84Å; L120-A123 WeakPolarHBondContact O-CB 3.16Å; L120-A123 PolarHBondContact O-N 3.27Å; L120-V124 HydrophobicContact CD1-CG2 4.19Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 3.26Å; L120-L301 HydrophobicContact CD1-CD1 3.9Å; L120-L301 HydrophobicContact CD1-CD2 3.96Å; L120-L301 HydrophobicContact CD1-CG 3.86Å; L120-L301 HydrophobicContact CD2-CD2 4.23Å; L120-V305 HydrophobicContact CD1-CG2 3.59Å
121A98.3Very high96.5Very high55 Ų5557.4 Ų57.446%0.45529%0.293SS..Hα-helixtrans-63.4-35.4179.800000112.3H119 R125H119-A121 VanDerWaalsContact C-N 3.27Å; H119-A121 PolarHBondContact O-N 3.09Å; A121-R125 WeakPolarHBondContact O-CG 3.39Å; A121-R125 PolarHBondContact O-N 3.47Å
122D97.8Very high96.4Very high50 Ų5057 Ų5727%0.26730%0.297SS..Hα-helixtrans-73.3-41.5175.8-62-39.2000110.3H119 L120 V124 R125 E126H119-D122 IonicContact ND1-OD2 2.69Å; H119-D122 PolarHBondContact O-N 3.33Å; L120-D122 VanDerWaalsContact C-N 3.27Å; L120-D122 PolarHBondContact O-N 2.84Å; D122-V124 VanDerWaalsContact C-N 3.27Å; D122-V124 PolarHBondContact O-N 3.27Å; D122-R125 PolarHBondContact O-N 2.93Å; D122-R125 IonicContact OD1-CZ 3.49Å; D122-R125 IonicContact OD1-NH1 2.72Å; D122-R125 PolarHBondContact OD1-NH1 3.19Å; D122-E126 WeakPolarHBondContact O-CB 3.49Å; D122-E126 WeakPolarHBondContact O-CG 3.45Å; D122-E126 PolarHBondContact O-N 3.28Å
123A97.1Very high96.4Very high0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-53.6-43.4172.200000112.6H119 L120 G127 Q130 L304 V305H119-A123 PolarHBondContact O-N 3.17Å; L120-A123 WeakPolarHBondContact O-CB 3.16Å; L120-A123 PolarHBondContact O-N 3.27Å; A123-G127 WeakPolarHBondContact O-CA 3.32Å; A123-G127 PolarHBondContact O-N 2.88Å; A123-Q130 VanDerWaalsContact CA-NE2 3.32Å; A123-Q130 HydrophobicContact CB-CG 3.58Å; A123-L304 HydrophobicContact CB-CG 4.48Å; A123-V305 HydrophobicContact CB-CG2 4.13Å
124V98Very high96.4Very high93 Ų9360.9 Ų60.956%0.56432%0.316SS*.Hα-helixtrans-68.7-36.4177.9171.60000112.1L120 D122 L304L120-V124 HydrophobicContact CD1-CG2 4.19Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 3.26Å; D122-V124 VanDerWaalsContact C-N 3.27Å; D122-V124 PolarHBondContact O-N 3.27Å; V124-L304 HydrophobicContact CG2-CD2 4.44Å
125R98Very high96.2Very high184 Ų18459.4 Ų59.469%0.69431%0.311SS*.Hα-helixtrans-70.3-40177.6-74.4173.6-163.31333.6112.1A121 D122A121-R125 WeakPolarHBondContact O-CG 3.39Å; A121-R125 PolarHBondContact O-N 3.47Å; D122-R125 PolarHBondContact O-N 2.93Å; D122-R125 IonicContact OD1-CZ 3.49Å; D122-R125 IonicContact OD1-NH1 2.72Å; D122-R125 PolarHBondContact OD1-NH1 3.19Å
126E95.7Very high96Very high94 Ų9455.5 Ų55.544%0.43932%0.315SS..Hα-helixtrans-96.8-20.3-169.2-60.5177.9166.500112.9D122 R128D122-E126 WeakPolarHBondContact O-CB 3.49Å; D122-E126 WeakPolarHBondContact O-CG 3.45Å; D122-E126 PolarHBondContact O-N 3.28Å; E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 HydrophobicContact CB-CG 3.87Å; E126-R128 IonicContact OE1-NH2 2.77Å; E126-R128 IonicContact OE2-CZ 2.75Å; E126-R128 IonicContact OE2-NE 3.4Å; E126-R128 PolarHBondContact OE2-NE 3.08Å; E126-R128 IonicContact OE2-NH1 3.85Å; E126-R128 IonicContact OE2-NH2 3.55Å; E126-R128 PolarHBondContact OE2-NH2 3.25Å
127G93.8Very high95.7Very high54 Ų5457.1 Ų57.156%0.55733%0.325SS*.THydrogen-bonded Turntrans70.727.8-179.600000113.6A123A123-G127 WeakPolarHBondContact O-CA 3.32Å; A123-G127 PolarHBondContact O-N 2.88Å
128R93.6Very high95.2Very high90 Ų9057.5 Ų57.534%0.3434%0.337SS..SBendtrans-142.9162.2-176.465.9174.1-179.689.9-1.7112.9E126 Q130 E133 L304E126-R128 VanDerWaalsContact C-N 3.34Å; E126-R128 HydrophobicContact CB-CG 3.87Å; E126-R128 IonicContact OE1-NH2 2.77Å; E126-R128 IonicContact OE2-CZ 2.75Å; E126-R128 IonicContact OE2-NE 3.4Å; E126-R128 PolarHBondContact OE2-NE 3.08Å; E126-R128 IonicContact OE2-NH1 3.85Å; E126-R128 IonicContact OE2-NH2 3.55Å; E126-R128 PolarHBondContact OE2-NH2 3.25Å; R128-Q130 PolarHBondContact O-NE2 2.94Å; R128-E133 IonicContact CZ-OE1 3.25Å; R128-E133 IonicContact CZ-OE2 2.86Å; R128-E133 IonicContact NH1-OE1 3.91Å; R128-E133 PolarHBondContact NH1-OE1 3.1Å; R128-E133 VanDerWaalsContact NH1-OE1 3.16Å; R128-E133 IonicContact NH1-OE2 3.21Å; R128-E133 PolarHBondContact NH1-OE2 3.2Å; R128-E133 IonicContact NH2-OE1 3.45Å; R128-E133 PolarHBondContact NH2-OE1 3.39Å; R128-E133 IonicContact NH2-OE2 2.86Å; R128-L304 CarbonylContact C-O 3.56Å
129N94.8Very high94.4Very high18 Ų1855.1 Ų55.110%0.09631%0.311CS..  trans-59.9159.8174.27772.8000112.6Y131 A139 L304 V305N129-Y131 HydrophobicContact CB-CD2 4.39Å; N129-Y131 PolarHBondContact OD1-N 3.17Å; N129-A139 PolarHBondContact ND2-O 3.25Å; N129-A139 WeakPolarHBondContact OD1-CB 3.31Å; N129-L304 VanDerWaalsContact CA-O 3.31Å; N129-L304 WeakPolarHBondContact CA-O 3.46Å; N129-L304 PolarHBondContact N-O 2.94Å; N129-V305 VanDerWaalsContact CA-O 3.3Å; N129-V305 WeakPolarHBondContact CA-O 3.45Å; N129-V305 WeakPolarHBondContact CB-O 3.44Å
130Q95.9Very high93.5Very high0 Ų059.7 Ų59.70%033%0.333CS..  trans-11425.4-171.7-59.1-62.2-64.700113.3H119 A123 R128 L132 T134 V305H119-Q130 HydrophobicContact CB-CB 3.86Å; H119-Q130 HydrophobicContact CB-CG 3.82Å; A123-Q130 VanDerWaalsContact CA-NE2 3.32Å; A123-Q130 HydrophobicContact CB-CG 3.58Å; R128-Q130 PolarHBondContact O-NE2 2.94Å; Q130-L132 VanDerWaalsContact C-N 3.34Å; Q130-T134 WeakPolarHBondContact O-CB 3.49Å; Q130-T134 PolarHBondContact O-N 3.35Å; Q130-T134 PolarHBondContact O-OG1 3.48Å; Q130-V305 PolarHBondContact N-O 3.5Å
131Y95.3Very high92.9Very high0 Ų064 Ų640%035%0.351CS..Hα-helixtrans-65.6-36.9179-89-88.1000112.6Y108 T112 N129 T134 F135 V137 A145 I146 Q306Y108-Y131 PolarHBondContact OH-OH 3.43Å; T112-Y131 HydrophobicContact CG2-CE1 4.21Å; N129-Y131 HydrophobicContact CB-CD2 4.39Å; N129-Y131 PolarHBondContact OD1-N 3.17Å; Y131-T134 PolarHBondContact O-N 2.94Å; Y131-F135 AromaticContact CD1-CD2 3.69Å; Y131-F135 HydrophobicContact CD1-CD2 3.69Å; Y131-F135 HydrophobicContact CD1-CE2 4.12Å; Y131-F135 HydrophobicContact CE1-CD2 4.14Å; Y131-F135 HydrophobicContact CE1-CE2 4.15Å; Y131-F135 WeakPolarHBondContact O-CA 3.27Å; Y131-F135 WeakPolarHBondContact O-CB 3.31Å; Y131-F135 PolarHBondContact O-N 3.28Å; Y131-V137 HydrophobicContact CD1-CG2 4.38Å; Y131-A145 HydrophobicContact CD1-CB 3.93Å; Y131-A145 HydrophobicContact CD2-CB 4.36Å; Y131-A145 HydrophobicContact CG-CB 3.82Å; Y131-I146 HydrophobicContact CE2-CG1 4.17Å; Y131-Q306 HydrophobicContact CE2-CB 3.99Å; Y131-Q306 HydrophobicContact CE2-CG 4.39Å; Y131-Q306 WeakPolarHBondContact CE2-O 3.42Å; Y131-Q306 PolarHBondContact OH-OE1 3.29Å
132L93.7Very high92.4Very high79 Ų7961.9 Ų61.941%0.41433%0.332SS..Hα-helixtrans-63.6-48.3177.4178.963.2000111.1Q130 T134 G136 V137Q130-L132 VanDerWaalsContact C-N 3.34Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 3.36Å; L132-G136 WeakPolarHBondContact O-CA 3.45Å; L132-G136 PolarHBondContact O-N 3.5Å; L132-V137 VanDerWaalsContact CA-O 3.23Å; L132-V137 WeakPolarHBondContact CA-O 3.36Å
133E94.6Very high92Very high64 Ų6461.6 Ų61.630%0.29933%0.329SS..Hα-helixtrans-67.1-36.4-179.3-69.465.7-143.500111.7R128R128-E133 IonicContact CZ-OE1 3.25Å; R128-E133 IonicContact CZ-OE2 2.86Å; R128-E133 IonicContact NH1-OE1 3.91Å; R128-E133 PolarHBondContact NH1-OE1 3.1Å; R128-E133 VanDerWaalsContact NH1-OE1 3.16Å; R128-E133 IonicContact NH1-OE2 3.21Å; R128-E133 PolarHBondContact NH1-OE2 3.2Å; R128-E133 IonicContact NH2-OE1 3.45Å; R128-E133 PolarHBondContact NH2-OE1 3.39Å; R128-E133 IonicContact NH2-OE2 2.86Å
134T96.1Very high91.6Very high30 Ų3065.6 Ų65.618%0.18435%0.353CS..Hα-helixtrans-83.8-38.8-174.6-53.60000113.1R115 C116 H119 Q130 Y131 L132R115-T134 HydrophobicContact CB-CG2 3.43Å; R115-T134 VanDerWaalsContact CB-CG2 3.43Å; C116-T134 WeakPolarHBondContact CA-OG1 3.5Å; H119-T134 PolarHBondContact CD2-OG1 2.7Å; Q130-T134 WeakPolarHBondContact O-CB 3.49Å; Q130-T134 PolarHBondContact O-N 3.35Å; Q130-T134 PolarHBondContact O-OG1 3.48Å; Y131-T134 PolarHBondContact O-N 2.94Å; L132-T134 VanDerWaalsContact C-N 3.33Å; L132-T134 PolarHBondContact O-N 3.36Å
135F94.7Very high91.2Very high49 Ų4961.2 Ų61.222%0.21533%0.327CS..Hα-helixtrans-125.7-4.4-170.5-59.7-69.7000114.3T112 R115 Y131 V137T112-F135 HydrophobicContact CG2-CE2 4.14Å; T112-F135 HydrophobicContact CG2-CZ 4.29Å; R115-F135 HydrophobicContact CB-CZ 4.41Å; Y131-F135 AromaticContact CD1-CD2 3.69Å; Y131-F135 HydrophobicContact CD1-CD2 3.69Å; Y131-F135 HydrophobicContact CD1-CE2 4.12Å; Y131-F135 HydrophobicContact CE1-CD2 4.14Å; Y131-F135 HydrophobicContact CE1-CE2 4.15Å; Y131-F135 WeakPolarHBondContact O-CA 3.27Å; Y131-F135 WeakPolarHBondContact O-CB 3.31Å; Y131-F135 PolarHBondContact O-N 3.28Å; F135-V137 HydrophobicContact CB-CG1 4.39Å; F135-V137 HydrophobicContact CB-CG2 4.15Å; F135-V137 PolarHBondContact O-N 3.27Å
136G92.6Very high91Very high59 Ų5952.7 Ų52.761%0.60830%0.295SS*.SBendtrans69.320.4-17900000114L132L132-G136 WeakPolarHBondContact O-CA 3.45Å; L132-G136 PolarHBondContact O-N 3.5Å
137V90.4Very high90.9Very high34 Ų3449.7 Ų49.721%0.20628%0.28CS..  trans-104.5140.8-178.7-60.40000111.1Y131 L132 F135 A145 R148Y131-V137 HydrophobicContact CD1-CG2 4.38Å; L132-V137 VanDerWaalsContact CA-O 3.23Å; L132-V137 WeakPolarHBondContact CA-O 3.36Å; F135-V137 HydrophobicContact CB-CG1 4.39Å; F135-V137 HydrophobicContact CB-CG2 4.15Å; F135-V137 PolarHBondContact O-N 3.27Å; V137-A145 HydrophobicContact CG2-CB 4.05Å; V137-R148 HydrophobicContact CG1-CB 4.28Å
138P85.5Confident90.9Very high84 Ų8449.8 Ų49.855%0.54526%0.263SS..  trans-57.1143.1169.8-19.131.1000110.5E140P138-E140 WeakPolarHBondContact CB-OE2 3.49Å
139A80.5Confident90.9Very high17 Ų1748.3 Ų48.314%0.1427%0.267CS..  trans-130.718.6-171.100000113.3N129 E141 A145N129-A139 PolarHBondContact ND2-O 3.25Å; N129-A139 WeakPolarHBondContact OD1-CB 3.31Å; A139-E141 VanDerWaalsContact C-N 3.33Å; A139-A145 HydrophobicContact CB-CB 4.21Å
140E80.1Confident90.9Very high156 Ų15652.3 Ų52.373%0.72929%0.285SS*.SBendtrans-68.4-35.8173.5-59.479.6-176.100111.1P138P138-E140 WeakPolarHBondContact CB-OE2 3.49Å
141E83.9Confident90.8Very high134 Ų13454.7 Ų54.763%0.62631%0.31SS*.SBendtrans-101.2106.1169.6-70.9-176.9-178.500109.9A139 F143 T144 A145A139-E141 VanDerWaalsContact C-N 3.33Å; E141-F143 PolarHBondContact O-N 2.88Å; E141-T144 WeakPolarHBondContact CB-OG1 3.47Å; E141-T144 WeakPolarHBondContact O-CB 3.37Å; E141-T144 PolarHBondContact O-N 2.82Å; E141-T144 VanDerWaalsContact O-N 3.12Å; E141-T144 PolarHBondContact OE2-OG1 3.39Å; E141-A145 PolarHBondContact O-N 3.35Å
142L87.5Confident90.9Very high10 Ų1056.7 Ų56.75%0.05232%0.319CS..Hα-helixtrans-48.2-57.6-172.8175.954.9000113.5T144 A145 I146 D256 W257 Q306 T307L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.84Å; L142-A145 PolarHBondContact O-N 3.41Å; L142-I146 HydrophobicContact CD1-CD1 3.71Å; L142-I146 HydrophobicContact CD1-CG1 4.26Å; L142-I146 HydrophobicContact CG-CD1 3.86Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 3.45Å; L142-I146 VanDerWaalsContact O-N 3.11Å; L142-D256 HydrophobicContact CD2-CB 3.96Å; L142-W257 HydrophobicContact CB-CH2 4.42Å; L142-W257 HydrophobicContact CB-CZ3 4.08Å; L142-W257 HydrophobicContact CD2-CE3 4.18Å; L142-W257 HydrophobicContact CD2-CH2 4.19Å; L142-W257 HydrophobicContact CD2-CZ3 3.89Å; L142-Q306 VanDerWaalsContact CD1-O 3.27Å; L142-Q306 WeakPolarHBondContact CD1-O 3.34Å; L142-T307 HydrophobicContact CD1-CG2 4.05Å; L142-T307 HydrophobicContact CD2-CG2 4.19Å
143F89.3Confident91Very high45 Ų4554.1 Ų54.120%0.19730%0.304CS..Hα-helixtrans-76.2-18.6-175.2-78.9-83.4000113.4E141 A145 I146 Y147 F156 W257E141-F143 PolarHBondContact O-N 2.88Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-I146 HydrophobicContact CD1-CB 4.38Å; F143-I146 HydrophobicContact CD1-CD1 3.99Å; F143-I146 HydrophobicContact CE1-CD1 3.99Å; F143-I146 HydrophobicContact CG-CD1 4.43Å; F143-I146 HydrophobicContact CZ-CD1 4.41Å; F143-Y147 HydrophobicContact CB-CD2 4.11Å; F143-Y147 HydrophobicContact CB-CE2 4.15Å; F143-Y147 HydrophobicContact CD1-CD2 4.17Å; F143-Y147 HydrophobicContact CD1-CE1 4.14Å; F143-Y147 AromaticContact CD1-CE2 3.54Å; F143-Y147 HydrophobicContact CD1-CE2 3.54Å; F143-Y147 AromaticContact CD1-CZ 3.52Å; F143-Y147 HydrophobicContact CE1-CE2 4.38Å; F143-Y147 AromaticContact CE1-CZ 3.99Å; F143-Y147 HydrophobicContact CG-CE2 4.22Å; F143-Y147 WeakPolarHBondContact O-CA 2.97Å; F143-Y147 WeakPolarHBondContact O-CB 3.39Å; F143-Y147 PolarHBondContact O-N 3.18Å; F143-F156 HydrophobicContact CE1-CE1 4.11Å; F143-F156 HydrophobicContact CE1-CZ 4.06Å; F143-W257 AromaticContact CD2-CH2 3.66Å; F143-W257 HydrophobicContact CD2-CH2 3.66Å; F143-W257 AromaticContact CD2-CZ2 3.85Å; F143-W257 HydrophobicContact CD2-CZ2 3.85Å; F143-W257 AromaticContact CE2-CH2 3.74Å; F143-W257 HydrophobicContact CE2-CH2 3.74Å; F143-W257 AromaticContact CE2-CZ2 3.48Å; F143-W257 HydrophobicContact CE2-CZ2 3.48Å; F143-W257 VanDerWaalsContact CE2-CZ2 3.48Å
144T88.7Confident91.1Very high83 Ų8352.5 Ų52.551%0.50930%0.297SS..Hα-helixtrans-64.9-38169.3-59.50000110.7E141 L142 Y147 R148E141-T144 WeakPolarHBondContact CB-OG1 3.47Å; E141-T144 WeakPolarHBondContact O-CB 3.37Å; E141-T144 PolarHBondContact O-N 2.82Å; E141-T144 VanDerWaalsContact O-N 3.12Å; E141-T144 PolarHBondContact OE2-OG1 3.39Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.84Å; T144-Y147 CarbonylContact O-C 3.54Å; T144-R148 PolarHBondContact O-N 3.18Å
145A91Very high91.1Very high1 Ų151.9 Ų51.91%0.00829%0.292CS..Hα-helixtrans-75.1-40.1175.600000113.2Y131 V137 A139 E141 L142 F143 R148Y131-A145 HydrophobicContact CD1-CB 3.93Å; Y131-A145 HydrophobicContact CD2-CB 4.36Å; Y131-A145 HydrophobicContact CG-CB 3.82Å; V137-A145 HydrophobicContact CG2-CB 4.05Å; A139-A145 HydrophobicContact CB-CB 4.21Å; E141-A145 PolarHBondContact O-N 3.35Å; L142-A145 PolarHBondContact O-N 3.41Å; F143-A145 VanDerWaalsContact C-N 3.31Å; A145-R148 WeakPolarHBondContact O-CB 3.49Å; A145-R148 PolarHBondContact O-N 2.71Å
146I93.2Very high91.2Very high5 Ų550.5 Ų50.53%0.02629%0.286CS..Hα-helixtrans-64.6-47.7175.7-63.4170.7000109.9Y131 L142 F143 R148 F156Y131-I146 HydrophobicContact CE2-CG1 4.17Å; L142-I146 HydrophobicContact CD1-CD1 3.71Å; L142-I146 HydrophobicContact CD1-CG1 4.26Å; L142-I146 HydrophobicContact CG-CD1 3.86Å; L142-I146 WeakPolarHBondContact O-CG1 3.29Å; L142-I146 PolarHBondContact O-N 3.45Å; L142-I146 VanDerWaalsContact O-N 3.11Å; F143-I146 HydrophobicContact CD1-CB 4.38Å; F143-I146 HydrophobicContact CD1-CD1 3.99Å; F143-I146 HydrophobicContact CE1-CD1 3.99Å; F143-I146 HydrophobicContact CG-CD1 4.43Å; F143-I146 HydrophobicContact CZ-CD1 4.41Å; I146-R148 VanDerWaalsContact C-N 3.25Å; I146-R148 PolarHBondContact O-N 3.12Å; I146-F156 HydrophobicContact CG2-CB 4.42Å; I146-F156 HydrophobicContact CG2-CD1 4.45Å; I146-F156 HydrophobicContact CG2-CD2 3.42Å; I146-F156 VanDerWaalsContact CG2-CD2 3.42Å; I146-F156 HydrophobicContact CG2-CE2 3.61Å; I146-F156 HydrophobicContact CG2-CG 3.87Å; I146-F156 HydrophobicContact CG2-CZ 4.19Å
147Y94.4Very high91.4Very high31 Ų3147.9 Ų47.912%0.12226%0.258CS..THydrogen-bonded Turntrans-90.433.8179.6-56.1-26.1000113.2F143 T144 S149 R153 F156 I211 V214F143-Y147 HydrophobicContact CB-CD2 4.11Å; F143-Y147 HydrophobicContact CB-CE2 4.15Å; F143-Y147 HydrophobicContact CD1-CD2 4.17Å; F143-Y147 HydrophobicContact CD1-CE1 4.14Å; F143-Y147 AromaticContact CD1-CE2 3.54Å; F143-Y147 HydrophobicContact CD1-CE2 3.54Å; F143-Y147 AromaticContact CD1-CZ 3.52Å; F143-Y147 HydrophobicContact CE1-CE2 4.38Å; F143-Y147 AromaticContact CE1-CZ 3.99Å; F143-Y147 HydrophobicContact CG-CE2 4.22Å; F143-Y147 WeakPolarHBondContact O-CA 2.97Å; F143-Y147 WeakPolarHBondContact O-CB 3.39Å; F143-Y147 PolarHBondContact O-N 3.18Å; T144-Y147 CarbonylContact O-C 3.54Å; Y147-S149 PolarHBondContact O-N 2.99Å; Y147-R153 HydrophobicContact CD1-CB 3.72Å; Y147-R153 HydrophobicContact CD1-CG 3.66Å; Y147-R153 HydrophobicContact CD2-CG 4.14Å; Y147-R153 HydrophobicContact CE1-CB 4.4Å; Y147-R153 HydrophobicContact CE1-CG 3.95Å; Y147-R153 HydrophobicContact CE2-CG 4.39Å; Y147-R153 HydrophobicContact CG-CB 3.91Å; Y147-R153 HydrophobicContact CG-CG 3.76Å; Y147-F156 HydrophobicContact CE1-CB 4.04Å; Y147-F156 AromaticContact CE1-CD1 3.48Å; Y147-F156 HydrophobicContact CE1-CD1 3.48Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.48Å; Y147-F156 HydrophobicContact CE1-CE1 4.01Å; Y147-F156 AromaticContact CE1-CG 3.84Å; Y147-F156 HydrophobicContact CE1-CG 3.84Å; Y147-F156 AromaticContact CZ-CD1 4Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.27Å; Y147-I211 HydrophobicContact CD2-CD1 4.21Å; Y147-I211 HydrophobicContact CE2-CD1 3.97Å; Y147-V214 HydrophobicContact CD2-CG2 4.35Å; Y147-V214 HydrophobicContact CE2-CG2 3.49Å; Y147-V214 VanDerWaalsContact CE2-CG2 3.49Å
148R93Very high91.7Very high57 Ų5749.1 Ų49.122%0.21526%0.261CS..SBendtrans-51-17.8-179.359.6-177.3-179.7-93.41.9115.4T112 V137 T144 A145 I146 E152T112-R148 PolarHBondContact OG1-NH2 3.48Å; V137-R148 HydrophobicContact CG1-CB 4.28Å; T144-R148 PolarHBondContact O-N 3.18Å; A145-R148 WeakPolarHBondContact O-CB 3.49Å; A145-R148 PolarHBondContact O-N 2.71Å; I146-R148 VanDerWaalsContact C-N 3.25Å; I146-R148 PolarHBondContact O-N 3.12Å; R148-E152 HydrophobicContact CG-CB 4.1Å; R148-E152 HydrophobicContact CG-CG 3.89Å; R148-E152 IonicContact CZ-OE1 3.91Å; R148-E152 IonicContact CZ-OE2 3.34Å; R148-E152 IonicContact NE-OE1 3.46Å; R148-E152 IonicContact NH2-OE1 2.72Å; R148-E152 PolarHBondContact NH2-OE1 2.7Å; R148-E152 IonicContact NH2-OE2 3.67Å; R148-E152 PolarHBondContact NH2-OE2 2.85Å; R148-E152 VanDerWaalsContact NH2-OE2 3.1Å
149S93.7Very high92.3Very high59 Ų5945.2 Ų45.241%0.41324%0.236SC..SBendtrans-150.7165.6165.971.80000110.9Y147 G151 E152 R153Y147-S149 PolarHBondContact O-N 2.99Å; S149-G151 VanDerWaalsContact C-N 3.28Å; S149-G151 PolarHBondContact O-N 3.34Å; S149-E152 PolarHBondContact O-N 3.31Å; S149-E152 WeakPolarHBondContact OG-CG 3.2Å; S149-E152 PolarHBondContact OG-N 3.12Å; S149-R153 PolarHBondContact O-N 3.47Å
150E94.1Very high93Very high102 Ų10247.5 Ų47.548%0.47725%0.246SC..Hα-helixtrans-55.5-41.7173.3179176.1-174.300112.4E152 R153 L154E150-E152 PolarHBondContact O-N 3.44Å; E150-R153 PolarHBondContact O-N 2.86Å; E150-L154 WeakPolarHBondContact O-CB 3.49Å; E150-L154 PolarHBondContact O-N 3Å
151G95.3Very high93.8Very high50 Ų5043 Ų4352%0.51523%0.225SC..Hα-helixtrans-65.5-36.9177.900000113.3S149 Q155S149-G151 VanDerWaalsContact C-N 3.28Å; S149-G151 PolarHBondContact O-N 3.34Å; G151-Q155 VanDerWaalsContact O-CB 3.32Å; G151-Q155 WeakPolarHBondContact O-CB 3.46Å; G151-Q155 PolarHBondContact O-N 2.81Å
152E95.7Very high94.4Very high42 Ų4237.4 Ų37.420%0.19620%0.198CC..Hα-helixtrans-73.2-37.6177.1-66.9-72.2-174.700111.7R148 S149 E150 Q155 F156R148-E152 HydrophobicContact CG-CB 4.1Å; R148-E152 HydrophobicContact CG-CG 3.89Å; R148-E152 IonicContact CZ-OE1 3.91Å; R148-E152 IonicContact CZ-OE2 3.34Å; R148-E152 IonicContact NE-OE1 3.46Å; R148-E152 IonicContact NH2-OE1 2.72Å; R148-E152 PolarHBondContact NH2-OE1 2.7Å; R148-E152 IonicContact NH2-OE2 3.67Å; R148-E152 PolarHBondContact NH2-OE2 2.85Å; R148-E152 VanDerWaalsContact NH2-OE2 3.1Å; S149-E152 PolarHBondContact O-N 3.31Å; S149-E152 WeakPolarHBondContact OG-CG 3.2Å; S149-E152 PolarHBondContact OG-N 3.12Å; E150-E152 PolarHBondContact O-N 3.44Å; E152-Q155 PolarHBondContact O-N 3.43Å; E152-F156 WeakPolarHBondContact O-CB 3.33Å; E152-F156 PolarHBondContact O-N 2.72Å
153R96.5Very high94.8Very high24 Ų2437.3 Ų37.39%0.09120%0.198CC..Hα-helixtrans-59.5-50.5171.2-176.517565.4-120.8-0.2111.3Y147 S149 E150 Q155 F156 M157 E213 T217Y147-R153 HydrophobicContact CD1-CB 3.72Å; Y147-R153 HydrophobicContact CD1-CG 3.66Å; Y147-R153 HydrophobicContact CD2-CG 4.14Å; Y147-R153 HydrophobicContact CE1-CB 4.4Å; Y147-R153 HydrophobicContact CE1-CG 3.95Å; Y147-R153 HydrophobicContact CE2-CG 4.39Å; Y147-R153 HydrophobicContact CG-CB 3.91Å; Y147-R153 HydrophobicContact CG-CG 3.76Å; S149-R153 PolarHBondContact O-N 3.47Å; E150-R153 PolarHBondContact O-N 2.86Å; R153-Q155 VanDerWaalsContact C-N 3.33Å; R153-Q155 PolarHBondContact O-N 3.49Å; R153-F156 PolarHBondContact O-N 3.24Å; R153-M157 HydrophobicContact CG-SD 4.05Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.45Å; R153-M157 PolarHBondContact O-N 2.69Å; R153-E213 PolarHBondContact NE-O 3.03Å; R153-T217 PolarHBondContact NE-OG1 2.8Å; R153-T217 PolarHBondContact NH2-OG1 3.01Å
154L97.2Very high95.1Very high30 Ų3036.3 Ų36.316%0.15719%0.193CC..Hα-helixtrans-59.6-44.7177.3179.159.5000111.4E150 F156 M157 Q158 T217 H221 F222E150-L154 WeakPolarHBondContact O-CB 3.49Å; E150-L154 PolarHBondContact O-N 3Å; L154-F156 PolarHBondContact O-N 3.35Å; L154-M157 PolarHBondContact O-N 3.27Å; L154-Q158 HydrophobicContact CD1-CG 4.15Å; L154-Q158 HydrophobicContact CG-CG 4.43Å; L154-Q158 WeakPolarHBondContact O-CB 3.46Å; L154-Q158 VanDerWaalsContact O-CG 3.28Å; L154-Q158 WeakPolarHBondContact O-CG 3.31Å; L154-Q158 PolarHBondContact O-N 2.96Å; L154-T217 HydrophobicContact CB-CG2 4.34Å; L154-T217 HydrophobicContact CD1-CG2 3.99Å; L154-H221 HydrophobicContact CD1-CB 3.63Å; L154-F222 HydrophobicContact CD1-CE2 3.75Å; L154-F222 HydrophobicContact CD1-CZ 3.86Å
155Q96.1Very high95.4Very high17 Ų1734.8 Ų34.88%0.07919%0.186CC..Hα-helixtrans-61.9-41.6178.3-178.863.187.700112.4S104 G151 E152 R153 A159S104-Q155 PolarHBondContact O-NE2 3.02Å; G151-Q155 VanDerWaalsContact O-CB 3.32Å; G151-Q155 WeakPolarHBondContact O-CB 3.46Å; G151-Q155 PolarHBondContact O-N 2.81Å; E152-Q155 PolarHBondContact O-N 3.43Å; R153-Q155 VanDerWaalsContact C-N 3.33Å; R153-Q155 PolarHBondContact O-N 3.49Å; Q155-A159 WeakPolarHBondContact O-CB 3.15Å; Q155-A159 PolarHBondContact O-N 2.98Å
156F96.8Very high95.6Very high20 Ų2037.7 Ų37.79%0.08820%0.203CC..Hα-helixtrans-63.5-46.5175.8-179.5-88.9000111.3Y108 F143 I146 Y147 E152 R153 L154 Q158 A159 L160Y108-F156 HydrophobicContact CD2-CD2 4.4Å; Y108-F156 HydrophobicContact CE2-CB 4.35Å; Y108-F156 AromaticContact CE2-CD2 3.66Å; Y108-F156 HydrophobicContact CE2-CD2 3.66Å; Y108-F156 HydrophobicContact CE2-CG 4.5Å; Y108-F156 AromaticContact CZ-CD2 3.73Å; F143-F156 HydrophobicContact CE1-CE1 4.11Å; F143-F156 HydrophobicContact CE1-CZ 4.06Å; I146-F156 HydrophobicContact CG2-CB 4.42Å; I146-F156 HydrophobicContact CG2-CD1 4.45Å; I146-F156 HydrophobicContact CG2-CD2 3.42Å; I146-F156 VanDerWaalsContact CG2-CD2 3.42Å; I146-F156 HydrophobicContact CG2-CE2 3.61Å; I146-F156 HydrophobicContact CG2-CG 3.87Å; I146-F156 HydrophobicContact CG2-CZ 4.19Å; Y147-F156 HydrophobicContact CE1-CB 4.04Å; Y147-F156 AromaticContact CE1-CD1 3.48Å; Y147-F156 HydrophobicContact CE1-CD1 3.48Å; Y147-F156 VanDerWaalsContact CE1-CD1 3.48Å; Y147-F156 HydrophobicContact CE1-CE1 4.01Å; Y147-F156 AromaticContact CE1-CG 3.84Å; Y147-F156 HydrophobicContact CE1-CG 3.84Å; Y147-F156 AromaticContact CZ-CD1 4Å; Y147-F156 WeakPolarHBondContact OH-CE1 3.27Å; E152-F156 WeakPolarHBondContact O-CB 3.33Å; E152-F156 PolarHBondContact O-N 2.72Å; R153-F156 PolarHBondContact O-N 3.24Å; L154-F156 PolarHBondContact O-N 3.35Å; F156-Q158 PolarHBondContact O-N 3.23Å; F156-A159 WeakPolarHBondContact O-CB 3.21Å; F156-A159 PolarHBondContact O-N 3.44Å; F156-L160 HydrophobicContact CD1-CD1 3.93Å; F156-L160 HydrophobicContact CD1-CG 4.23Å; F156-L160 HydrophobicContact CE1-CD1 3.2Å; F156-L160 HydrophobicContact CE1-CG 3.89Å; F156-L160 HydrophobicContact CE2-CD1 4.44Å; F156-L160 HydrophobicContact CZ-CD1 3.51Å; F156-L160 HydrophobicContact CZ-CG 4.1Å; F156-L160 PolarHBondContact O-N 3.16Å
157M97.6Very high95.8Very high4 Ų437.9 Ų37.92%0.0220%0.204CC..Hα-helixtrans-62-43.2177.4-69.7174.96800111.9R153 L154 A159 L160 Q161 A190 V214 T217 A218 F222R153-M157 HydrophobicContact CG-SD 4.05Å; R153-M157 VanDerWaalsContact O-CG 3.31Å; R153-M157 WeakPolarHBondContact O-CG 3.45Å; R153-M157 PolarHBondContact O-N 2.69Å; L154-M157 PolarHBondContact O-N 3.27Å; M157-A159 VanDerWaalsContact C-N 3.33Å; M157-A159 PolarHBondContact O-N 2.87Å; M157-L160 PolarHBondContact O-N 3.08Å; M157-Q161 WeakPolarHBondContact O-CG 3.26Å; M157-Q161 PolarHBondContact O-N 3.08Å; M157-A190 HydrophobicContact CE-CB 4.2Å; M157-V214 HydrophobicContact CE-CG1 3.82Å; M157-V214 WeakPolarHBondContact CE-O 3.43Å; M157-V214 HydrophobicContact SD-CG1 4.04Å; M157-T217 HydrophobicContact CE-CG2 4.17Å; M157-T217 HydrophobicContact SD-CG2 3.53Å; M157-T217 VanDerWaalsContact SD-CG2 3.53Å; M157-A218 HydrophobicContact CE-CB 3.88Å; M157-F222 HydrophobicContact CB-CE2 4.21Å; M157-F222 HydrophobicContact CB-CZ 3.81Å; M157-F222 HydrophobicContact CE-CD2 4.38Å; M157-F222 HydrophobicContact CE-CE2 3.8Å; M157-F222 HydrophobicContact CE-CZ 4.42Å
158Q96.4Very high95.9Very high61 Ų6136.4 Ų36.429%0.28520%0.198SC..Hα-helixtrans-61.3-40.8175-75.1175.9-25.100112L154 F156 Q161 E162 F222L154-Q158 HydrophobicContact CD1-CG 4.15Å; L154-Q158 HydrophobicContact CG-CG 4.43Å; L154-Q158 WeakPolarHBondContact O-CB 3.46Å; L154-Q158 VanDerWaalsContact O-CG 3.28Å; L154-Q158 WeakPolarHBondContact O-CG 3.31Å; L154-Q158 PolarHBondContact O-N 2.96Å; F156-Q158 PolarHBondContact O-N 3.23Å; Q158-Q161 WeakPolarHBondContact O-CG 3.33Å; Q158-E162 WeakPolarHBondContact O-CG 3.3Å; Q158-E162 PolarHBondContact O-N 3.16Å; Q158-F222 HydrophobicContact CG-CE1 4Å; Q158-F222 HydrophobicContact CG-CZ 3.84Å
159A97.1Very high96.1Very high1 Ų141.1 Ų41.11%0.00822%0.216CC..Hα-helixtrans-63.9-49.5176.200000111.8M105 Y108 Q155 F156 M157 Q161 E162M105-A159 HydrophobicContact CB-CB 4.31Å; M105-A159 HydrophobicContact CE-CB 4.1Å; M105-A159 WeakPolarHBondContact CE-O 3.49Å; M105-A159 HydrophobicContact SD-CB 4.21Å; Y108-A159 HydrophobicContact CG-CB 4.16Å; Q155-A159 WeakPolarHBondContact O-CB 3.15Å; Q155-A159 PolarHBondContact O-N 2.98Å; F156-A159 WeakPolarHBondContact O-CB 3.21Å; F156-A159 PolarHBondContact O-N 3.44Å; M157-A159 VanDerWaalsContact C-N 3.33Å; M157-A159 PolarHBondContact O-N 2.87Å; A159-Q161 PolarHBondContact O-N 3.17Å; A159-E162 PolarHBondContact O-N 3.48Å
160L96.3Very high96.3Very high66 Ų6640 Ų4035%0.34621%0.208SC..Hα-helixtrans-66.8-35.1-178.1-70.6-168.2000113.3M105 F156 M157 E162 V163M105-L160 HydrophobicContact CE-CD2 4.32Å; F156-L160 HydrophobicContact CD1-CD1 3.93Å; F156-L160 HydrophobicContact CD1-CG 4.23Å; F156-L160 HydrophobicContact CE1-CD1 3.2Å; F156-L160 HydrophobicContact CE1-CG 3.89Å; F156-L160 HydrophobicContact CE2-CD1 4.44Å; F156-L160 HydrophobicContact CZ-CD1 3.51Å; F156-L160 HydrophobicContact CZ-CG 4.1Å; F156-L160 PolarHBondContact O-N 3.16Å; M157-L160 PolarHBondContact O-N 3.08Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.78Å; L160-V163 VanDerWaalsContact O-CB 3.28Å; L160-V163 WeakPolarHBondContact O-CB 3.4Å; L160-V163 PolarHBondContact O-N 2.69Å
161Q95.6Very high96.5Very high61 Ų6135.1 Ų35.129%0.28519%0.185SC..Hα-helixtrans-63.9-35.8176.662.7160.50.100113.1M157 Q158 A159 V163 W164 S165 A190 A192 F222M157-Q161 WeakPolarHBondContact O-CG 3.26Å; M157-Q161 PolarHBondContact O-N 3.08Å; Q158-Q161 WeakPolarHBondContact O-CG 3.33Å; A159-Q161 PolarHBondContact O-N 3.17Å; Q161-V163 PolarHBondContact O-N 2.92Å; Q161-W164 PolarHBondContact O-N 3.25Å; Q161-S165 PolarHBondContact O-N 2.78Å; Q161-A190 HydrophobicContact CB-CB 4.18Å; Q161-A192 HydrophobicContact CB-CB 3.55Å; Q161-F222 VanDerWaalsContact CD-CE1 3.45Å; Q161-F222 HydrophobicContact CG-CE1 4.21Å
162E96.6Very high96.7Very high17 Ų1732.7 Ų32.78%0.07916%0.161CC..Hα-helixtrans-64-27.6-179.5-76.7178.3176.200110.7S101 Q102 C103 S104 M105 Q158 A159 L160 W164 S165S101-E162 VanDerWaalsContact O-CB 3.25Å; S101-E162 WeakPolarHBondContact O-CB 3.41Å; S101-E162 WeakPolarHBondContact O-CG 3.42Å; Q102-E162 WeakPolarHBondContact CA-OE2 3.47Å; Q102-E162 PolarHBondContact NE2-O 3.1Å; C103-E162 PolarHBondContact N-OE2 3.03Å; S104-E162 WeakPolarHBondContact CA-OE2 3.47Å; S104-E162 WeakPolarHBondContact CB-OE1 3.32Å; S104-E162 WeakPolarHBondContact CB-OE2 3.23Å; S104-E162 VanDerWaalsContact N-CD 3.3Å; S104-E162 PolarHBondContact N-OE1 2.82Å; S104-E162 PolarHBondContact N-OE2 3.18Å; S104-E162 PolarHBondContact OG-OE1 2.87Å; M105-E162 PolarHBondContact N-OE2 3.25Å; Q158-E162 WeakPolarHBondContact O-CG 3.3Å; Q158-E162 PolarHBondContact O-N 3.16Å; A159-E162 PolarHBondContact O-N 3.48Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.78Å; E162-W164 PolarHBondContact O-N 3.28Å; E162-S165 PolarHBondContact O-N 3.48Å; E162-S165 PolarHBondContact O-OG 3.06Å
163V96.3Very high96.8Very high7 Ų734.1 Ų34.14%0.04217%0.173CC..Hα-helixtrans-58.7-39.5173.4-179.60000111.3M105 L160 Q161 V166 N167 Y338M105-V163 HydrophobicContact CE-CG2 3.33Å; L160-V163 VanDerWaalsContact O-CB 3.28Å; L160-V163 WeakPolarHBondContact O-CB 3.4Å; L160-V163 PolarHBondContact O-N 2.69Å; Q161-V163 PolarHBondContact O-N 2.92Å; V163-V166 PolarHBondContact O-N 3.08Å; V163-N167 WeakPolarHBondContact O-CB 3.45Å; V163-N167 PolarHBondContact O-N 2.96Å; V163-N167 PolarHBondContact O-ND2 2.98Å; V163-Y338 HydrophobicContact CG1-CD2 4.13Å; V163-Y338 HydrophobicContact CG1-CE2 3.2Å
164W96.8Very high96.9Very high25 Ų2533.6 Ų33.610%0.09517%0.173CC..Hα-helixtrans-77.6-22.5-175.4-56.6130.8000113.5Q161 E162 V166 G168 V171 A192 L193 A251 R252 I282 Y338Q161-W164 PolarHBondContact O-N 3.25Å; E162-W164 PolarHBondContact O-N 3.28Å; W164-V166 PolarHBondContact O-N 2.66Å; W164-G168 VanDerWaalsContact O-CA 3.25Å; W164-G168 WeakPolarHBondContact O-CA 3.41Å; W164-G168 PolarHBondContact O-N 3.45Å; W164-V171 HydrophobicContact CZ3-CG2 4.32Å; W164-A192 HydrophobicContact CB-CB 4.28Å; W164-L193 HydrophobicContact CB-CB 4.49Å; W164-L193 HydrophobicContact CD2-CB 4.12Å; W164-L193 HydrophobicContact CD2-CD1 3.93Å; W164-L193 HydrophobicContact CD2-CG 4.44Å; W164-L193 HydrophobicContact CE3-CD1 3.83Å; W164-L193 HydrophobicContact CG-CB 3.91Å; W164-L193 HydrophobicContact CG-CD1 4.24Å; W164-L193 HydrophobicContact CZ2-CD2 4.44Å; W164-L193 HydrophobicContact CZ3-CD1 4.38Å; W164-A251 HydrophobicContact CH2-CB 3.71Å; W164-A251 HydrophobicContact CZ2-CB 3.58Å; W164-R252 HydrophobicContact CH2-CG 3.77Å; W164-R252 HydrophobicContact CZ2-CG 3.95Å; W164-I282 HydrophobicContact CH2-CG2 4Å; W164-I282 HydrophobicContact CZ3-CG2 4.08Å; W164-Y338 HydrophobicContact CZ3-CD2 4.36Å
165S93.8Very high97Very high51 Ų5132.9 Ų32.936%0.35717%0.169SC..Hα-helixtrans-66.2-22.8173.766.80000113.2P99 Q161 E162P99-S165 WeakPolarHBondContact O-CB 3.35Å; P99-S165 PolarHBondContact O-OG 3.42Å; Q161-S165 PolarHBondContact O-N 2.78Å; E162-S165 PolarHBondContact O-N 3.48Å; E162-S165 PolarHBondContact O-OG 3.06Å
166V95.5Very high97Very high62 Ų6236.8 Ų36.838%0.37619%0.19SC..Hα-helixtrans-103.9-36.9178.6-178.70000111.8Y93 T100 V163 W164Y93-V166 HydrophobicContact CD1-CG2 4.3Å; Y93-V166 HydrophobicContact CE1-CG2 3.91Å; T100-V166 HydrophobicContact CG2-CG2 4.47Å; V163-V166 PolarHBondContact O-N 3.08Å; W164-V166 PolarHBondContact O-N 2.66Å
167N97.1Very high97.1Very high8 Ų835.8 Ų35.84%0.04319%0.186CC..Hα-helixtrans-107-16.2-172.1-59-83.7000114.1V163 R169 S170 V171 Y338V163-N167 WeakPolarHBondContact O-CB 3.45Å; V163-N167 PolarHBondContact O-N 2.96Å; V163-N167 PolarHBondContact O-ND2 2.98Å; N167-R169 PolarHBondContact O-N 2.88Å; N167-S170 PolarHBondContact O-N 2.96Å; N167-S170 PolarHBondContact O-OG 3.31Å; N167-V171 WeakPolarHBondContact O-CG2 3.32Å; N167-V171 PolarHBondContact O-N 2.87Å; N167-Y338 HydrophobicContact CB-CD2 3.81Å; N167-Y338 HydrophobicContact CB-CE2 4.29Å
168G97.6Very high97Very high0 Ų038.5 Ų38.50%021%0.206CC..Hα-helixtrans-59.2-46.9-170.300000112.9W164 S170 V171 L172W164-G168 VanDerWaalsContact O-CA 3.25Å; W164-G168 WeakPolarHBondContact O-CA 3.41Å; W164-G168 PolarHBondContact O-N 3.45Å; G168-S170 PolarHBondContact O-N 3.37Å; G168-V171 VanDerWaalsContact O-CG2 3.22Å; G168-V171 WeakPolarHBondContact O-CG2 3.33Å; G168-V171 PolarHBondContact O-N 3.4Å; G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.4Å; G168-L172 WeakPolarHBondContact O-CD1 3.47Å; G168-L172 VanDerWaalsContact O-CG 3.27Å; G168-L172 WeakPolarHBondContact O-CG 3.02Å; G168-L172 PolarHBondContact O-N 3.33Å
169R97.2Very high97Very high156 Ų15639.4 Ų39.459%0.58922%0.215SC*.Hα-helixtrans-61.6-41.9179.7-171.2168-172.8132.72.2113.1N167 T173 E196 L200N167-R169 PolarHBondContact O-N 2.88Å; R169-T173 HydrophobicContact CG-CG2 4.17Å; R169-T173 WeakPolarHBondContact O-CB 3.42Å; R169-T173 VanDerWaalsContact O-CG2 3.32Å; R169-T173 WeakPolarHBondContact O-CG2 3.35Å; R169-T173 PolarHBondContact O-N 3.46Å; R169-T173 PolarHBondContact O-OG1 3.47Å; R169-E196 WeakPolarHBondContact CB-OE1 3.47Å; R169-L200 HydrophobicContact CG-CD1 4.32Å; R169-L200 HydrophobicContact CG-CD2 4.21Å
170S97.8Very high97Very high35 Ų3539.4 Ų39.425%0.24522%0.215CC..Hα-helixtrans-69-39.1-174.765.30000111.8N167 G168 A174 T334N167-S170 PolarHBondContact O-N 2.96Å; N167-S170 PolarHBondContact O-OG 3.31Å; G168-S170 PolarHBondContact O-N 3.37Å; S170-A174 PolarHBondContact O-N 3.22Å; S170-T334 WeakPolarHBondContact O-CG2 3.3Å
171V98.6Very high96.9Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-74.8-39.5178.2-60.40000111.9W164 N167 G168 A174 L193 I282 T334W164-V171 HydrophobicContact CZ3-CG2 4.32Å; N167-V171 WeakPolarHBondContact O-CG2 3.32Å; N167-V171 PolarHBondContact O-N 2.87Å; G168-V171 VanDerWaalsContact O-CG2 3.22Å; G168-V171 WeakPolarHBondContact O-CG2 3.33Å; G168-V171 PolarHBondContact O-N 3.4Å; V171-A174 VanDerWaalsContact O-CB 3.29Å; V171-A174 WeakPolarHBondContact O-CB 3.19Å; V171-A174 PolarHBondContact O-N 2.94Å; V171-L193 HydrophobicContact CG2-CD1 4.19Å; V171-I282 HydrophobicContact CB-CD1 3.99Å; V171-I282 HydrophobicContact CB-CG1 4.08Å; V171-I282 HydrophobicContact CB-CG2 3.8Å; V171-I282 HydrophobicContact CG1-CG2 3.65Å; V171-I282 HydrophobicContact CG2-CD1 3.7Å; V171-I282 HydrophobicContact CG2-CG1 4.3Å; V171-I282 HydrophobicContact CG2-CG2 3.97Å; V171-T334 HydrophobicContact CG1-CG2 4.11Å
172L98.5Very high97Very high0 Ų039.3 Ų39.30%022%0.22CC..Hα-helixtrans-72.7-31.2-179.3-71.2169.6000112.7G168 A174 L177 L193 E196 C197 L200 Y201 I249 L280G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.4Å; G168-L172 WeakPolarHBondContact O-CD1 3.47Å; G168-L172 VanDerWaalsContact O-CG 3.27Å; G168-L172 WeakPolarHBondContact O-CG 3.02Å; G168-L172 PolarHBondContact O-N 3.33Å; L172-A174 VanDerWaalsContact C-N 3.34Å; L172-L177 HydrophobicContact CD2-CD1 3.93Å; L172-L177 WeakPolarHBondContact O-CD1 3.09Å; L172-L193 HydrophobicContact CD1-CD1 3.62Å; L172-L193 HydrophobicContact CD1-CG 4.21Å; L172-L193 HydrophobicContact CD2-CD1 4.21Å; L172-L193 HydrophobicContact CD2-CG 4.36Å; L172-L193 HydrophobicContact CG-CD1 3.82Å; L172-L193 HydrophobicContact CG-CG 4.47Å; L172-E196 HydrophobicContact CD1-CB 3.92Å; L172-E196 HydrophobicContact CD1-CG 3.83Å; L172-C197 HydrophobicContact CD1-CB 3.86Å; L172-C197 HydrophobicContact CD2-CB 4.17Å; L172-L200 HydrophobicContact CB-CD1 3.76Å; L172-L200 HydrophobicContact CD1-CD1 4.15Å; L172-Y201 PolarHBondContact O-OH 2.85Å; L172-Y201 VanDerWaalsContact O-OH 3.1Å; L172-I249 HydrophobicContact CD2-CD1 4.45Å; L172-L280 HydrophobicContact CD2-CD2 4.44Å
173T98Very high97.1Very high72 Ų7238.5 Ų38.544%0.44222%0.216SC..THydrogen-bonded Turntrans-89.31.4176.361.10000113.8R169 F175 L200R169-T173 HydrophobicContact CG-CG2 4.17Å; R169-T173 WeakPolarHBondContact O-CB 3.42Å; R169-T173 VanDerWaalsContact O-CG2 3.32Å; R169-T173 WeakPolarHBondContact O-CG2 3.35Å; R169-T173 PolarHBondContact O-N 3.46Å; R169-T173 PolarHBondContact O-OG1 3.47Å; T173-F175 PolarHBondContact O-N 3.47Å; T173-L200 HydrophobicContact CG2-CD1 3.9Å; T173-L200 HydrophobicContact CG2-CD2 4.02Å
174A98.4Very high97.2Very high13 Ų1338.1 Ų38.111%0.10721%0.214CC..THydrogen-bonded Turntrans-59.5-35.1175.200000111S170 V171 L172 K332 A340S170-A174 PolarHBondContact O-N 3.22Å; V171-A174 VanDerWaalsContact O-CB 3.29Å; V171-A174 WeakPolarHBondContact O-CB 3.19Å; V171-A174 PolarHBondContact O-N 2.94Å; L172-A174 VanDerWaalsContact C-N 3.34Å; A174-K332 HydrophobicContact CB-CB 4.35Å; A174-K332 HydrophobicContact CB-CD 4.42Å; A174-K332 WeakPolarHBondContact O-CD 3.28Å; A174-K332 WeakPolarHBondContact O-CE 3.49Å; A174-K332 PolarHBondContact O-NZ 3.49Å; A174-A340 HydrophobicContact CB-CB 3.54Å
175F98.4Very high97.3Very high14 Ų1437 Ų376%0.06121%0.21CC..SBendtrans-124.8160.2174.4-59.9-83.4000110.6T173 L177 Y201 L280 Q330 K332 A340 L342T173-F175 PolarHBondContact O-N 3.47Å; F175-L177 HydrophobicContact CB-CD2 4.02Å; F175-L177 PolarHBondContact O-N 3.03Å; F175-Y201 PolarHBondContact O-OH 3.07Å; F175-Y201 VanDerWaalsContact O-OH 3.08Å; F175-L280 HydrophobicContact CD2-CD1 3.93Å; F175-L280 HydrophobicContact CE2-CD1 4.36Å; F175-Q330 HydrophobicContact CE1-CB 3.85Å; F175-Q330 HydrophobicContact CZ-CB 4.1Å; F175-K332 HydrophobicContact CD1-CD 4.23Å; F175-K332 HydrophobicContact CE1-CD 3.85Å; F175-K332 HydrophobicContact CE1-CG 4.12Å; F175-K332 HydrophobicContact CE2-CD 4.45Å; F175-K332 HydrophobicContact CZ-CB 4.3Å; F175-K332 HydrophobicContact CZ-CD 3.97Å; F175-K332 HydrophobicContact CZ-CG 3.9Å; F175-A340 HydrophobicContact CD2-CB 4.21Å; F175-A340 HydrophobicContact CE2-CB 3.86Å; F175-L342 HydrophobicContact CB-CD2 3.99Å; F175-L342 HydrophobicContact CD1-CB 4.09Å; F175-L342 HydrophobicContact CD1-CD2 3.87Å; F175-L342 HydrophobicContact CD2-CB 3.81Å; F175-L342 HydrophobicContact CD2-CD2 4.45Å; F175-L342 HydrophobicContact CE1-CB 4.01Å; F175-L342 HydrophobicContact CE1-CD2 4.48Å; F175-L342 HydrophobicContact CE2-CB 3.72Å; F175-L342 HydrophobicContact CG-CB 3.99Å; F175-L342 HydrophobicContact CG-CD2 3.85Å; F175-L342 HydrophobicContact CZ-CB 3.82Å
176D97.1Very high97.5Very high99 Ų9934.6 Ų34.653%0.52919%0.193SC..  trans-78.8100.5169.6-178.910.6000109.2S178D176-S178 VanDerWaalsContact C-N 3.31Å; D176-S178 VanDerWaalsContact CG-OG 3.28Å; D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.25Å; D176-S178 PolarHBondContact OD1-OG 3Å; D176-S178 PolarHBondContact OD2-OG 3.25Å
177L98Very high97.6Very high0 Ų032.8 Ų32.80%019%0.187CC..G310 helixtrans-84.1-5.3179.8-49.8-176.7000113L172 F175 V179 F180 M183 Y201 L247 L280L172-L177 HydrophobicContact CD2-CD1 3.93Å; L172-L177 WeakPolarHBondContact O-CD1 3.09Å; F175-L177 HydrophobicContact CB-CD2 4.02Å; F175-L177 PolarHBondContact O-N 3.03Å; L177-V179 PolarHBondContact O-N 3.39Å; L177-F180 PolarHBondContact O-N 2.82Å; L177-M183 HydrophobicContact CB-CE 3.68Å; L177-M183 WeakPolarHBondContact O-CE 3.42Å; L177-Y201 HydrophobicContact CB-CD1 4.43Å; L177-Y201 HydrophobicContact CB-CD2 4.24Å; L177-Y201 HydrophobicContact CB-CE1 4Å; L177-Y201 HydrophobicContact CB-CE2 3.8Å; L177-Y201 HydrophobicContact CD1-CE2 3.97Å; L177-Y201 HydrophobicContact CG-CE2 4.05Å; L177-L247 HydrophobicContact CD1-CD2 4.34Å; L177-L247 HydrophobicContact CD2-CD2 3.93Å; L177-L247 HydrophobicContact CG-CD2 4.49Å; L177-L280 HydrophobicContact CD1-CD2 3.84Å; L177-L280 HydrophobicContact CD2-CD2 4.22Å
178S96.1Very high97.6Very high61 Ų6132.9 Ų32.943%0.42719%0.19SC..G310 helixtrans-63.5-17.5-178.9700000113.7D176 F180D176-S178 VanDerWaalsContact C-N 3.31Å; D176-S178 VanDerWaalsContact CG-OG 3.28Å; D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.25Å; D176-S178 PolarHBondContact OD1-OG 3Å; D176-S178 PolarHBondContact OD2-OG 3.25Å; S178-F180 PolarHBondContact O-N 3.49Å
179V96Very high97.5Very high79 Ų7933.5 Ų33.548%0.47920%0.196SC..G310 helixtrans-73.2-5.5174.5-55.50000113.5L177 P181L177-V179 PolarHBondContact O-N 3.39Å; V179-P181 WeakPolarHBondContact O-CD 3.32Å
180F97.1Very high97.4Very high2 Ų226.4 Ų26.41%0.00917%0.171CC..  trans-119.287.2179.1-53.6-77.4000110.8L177 S178 L182 M183 D246 L247 L342L177-F180 PolarHBondContact O-N 2.82Å; S178-F180 PolarHBondContact O-N 3.49Å; F180-L182 PolarHBondContact O-N 3.31Å; F180-M183 HydrophobicContact CB-CE 4.32Å; F180-M183 WeakPolarHBondContact O-CE 3.46Å; F180-D246 HydrophobicContact CB-CB 4.13Å; F180-D246 HydrophobicContact CD1-CB 4.11Å; F180-D246 WeakPolarHBondContact CD1-O 3.44Å; F180-L247 HydrophobicContact CB-CB 3.66Å; F180-L247 HydrophobicContact CB-CD2 4.47Å; F180-L247 HydrophobicContact CD1-CB 3.94Å; F180-L247 HydrophobicContact CD2-CB 4.05Å; F180-L247 HydrophobicContact CD2-CD1 4.18Å; F180-L247 HydrophobicContact CD2-CD2 3.85Å; F180-L247 HydrophobicContact CD2-CG 4.26Å; F180-L247 HydrophobicContact CE1-CB 4.5Å; F180-L247 HydrophobicContact CE1-CD1 4.34Å; F180-L247 HydrophobicContact CE2-CD1 3.95Å; F180-L247 HydrophobicContact CE2-CD2 4.27Å; F180-L247 HydrophobicContact CG-CB 3.65Å; F180-L247 HydrophobicContact CG-CD1 4.46Å; F180-L247 HydrophobicContact CG-CD2 4.3Å; F180-L247 HydrophobicContact CG-CG 4.36Å; F180-L247 HydrophobicContact CZ-CD1 3.99Å; F180-L342 HydrophobicContact CE2-CD1 4.25Å; F180-L342 HydrophobicContact CZ-CD1 4.2Å
181P95.3Very high97.4Very high75 Ų7524.8 Ų24.849%0.48716%0.16SC..SBendtrans-61.6-29-175.4-24.834.5000114.5V179 C204 K205 D246V179-P181 WeakPolarHBondContact O-CD 3.32Å; P181-C204 CarbonylContact O-C 3.36Å; P181-C204 VanDerWaalsContact O-CA 3.31Å; P181-C204 WeakPolarHBondContact O-CA 3.32Å; P181-K205 PolarHBondContact O-N 3.26Å; P181-D246 WeakPolarHBondContact CD-OD2 3.29Å
182L96.9Very high97.2Very high49 Ų4925.9 Ų25.926%0.25717%0.169SC..EExtended strand (participates in β ladder)trans-117.7117.8178.1-172.762.3000110.6F180 K205 E244 D246 L247F180-L182 PolarHBondContact O-N 3.31Å; L182-K205 HydrophobicContact CD1-CB 4Å; L182-E244 WeakPolarHBondContact CD2-O 3.43Å; L182-D246 WeakPolarHBondContact CB-OD2 3.41Å; L182-D246 PolarHBondContact N-OD2 3.2Å; L182-D246 VanDerWaalsContact N-OD2 3.12Å; L182-D246 WeakPolarHBondContact O-CA 3.38Å; L182-D246 WeakPolarHBondContact O-CB 3.35Å; L182-D246 PolarHBondContact O-N 3.39Å; L182-L247 PolarHBondContact O-N 2.89Å
183M97.9Very high97.1Very high0 Ų025.9 Ų25.90%017%0.169CC..EExtended strand (participates in β ladder)trans-116.2151.2-178.6-53.6-176.3-171.200111.2L177 F180 C197 C204 K205 I206 T207 L247 I249L177-M183 HydrophobicContact CB-CE 3.68Å; L177-M183 WeakPolarHBondContact O-CE 3.42Å; F180-M183 HydrophobicContact CB-CE 4.32Å; F180-M183 WeakPolarHBondContact O-CE 3.46Å; M183-C197 PolarHBondContact SD-SG 3Å; M183-C204 HydrophobicContact CE-CB 3.93Å; M183-K205 PolarHBondContact N-O 2.88Å; M183-I206 HydrophobicContact CB-CB 4.3Å; M183-I206 HydrophobicContact CB-CD1 4.03Å; M183-I206 HydrophobicContact CB-CG1 3.99Å; M183-I206 WeakPolarHBondContact O-CA 3.42Å; M183-T207 PolarHBondContact O-N 3.44Å; M183-L247 CarbonylContact C-O 3.52Å; M183-L247 VanDerWaalsContact CA-O 3.31Å; M183-L247 WeakPolarHBondContact CA-O 3.35Å; M183-L247 HydrophobicContact CG-CB 4.26Å; M183-L247 HydrophobicContact CG-CD2 4.43Å; M183-L247 HydrophobicContact SD-CD2 4.27Å; M183-I249 HydrophobicContact SD-CD1 4.43Å
184C98.5Very high97Very high0 Ų022.5 Ų22.50%015%0.148CC..EExtended strand (participates in β ladder)trans-131.4117.4172.4-177.30000110.1L186 T207 A245 L247 Y248 I249C184-L186 PolarHBondContact O-N 3.29Å; C184-T207 CarbonylContact C-O 3.52Å; C184-T207 VanDerWaalsContact CA-O 3.29Å; C184-T207 WeakPolarHBondContact CA-O 3.28Å; C184-A245 HydrophobicContact CB-CB 3.62Å; C184-L247 PolarHBondContact N-O 3.49Å; C184-Y248 HydrophobicContact CB-CD1 3.77Å; C184-Y248 HydrophobicContact CB-CE1 3.93Å; C184-Y248 CarbonylContact O-C 3.49Å; C184-Y248 WeakPolarHBondContact O-CA 3.25Å; C184-I249 PolarHBondContact O-N 3.39Å
185D98.7Very high96.8Very high2 Ų225.8 Ų25.81%0.01116%0.16CC..EExtended strand (participates in β ladder)trans-88.299.1173-168.710000109.1G188 I206 T207 V208 F209D185-G188 VanDerWaalsContact CG-CA 3.49Å; D185-G188 PolarHBondContact O-N 3.26Å; D185-G188 WeakPolarHBondContact OD2-CA 3.22Å; D185-I206 HydrophobicContact CB-CD1 4.33Å; D185-I206 HydrophobicContact CB-CG1 4.48Å; D185-T207 PolarHBondContact N-O 3.49Å; D185-V208 HydrophobicContact CB-CG2 4.46Å; D185-F209 PolarHBondContact O-N 2.91Å
186L98.7Very high96.6Very high0 Ų027.5 Ų27.50%017%0.168CC..EExtended strand (participates in β ladder)trans-83.9120.4-177.5-67.5175.1000108.9C184 G188 F209 F237 L242 Y248 I249 L250 V253 I269C184-L186 PolarHBondContact O-N 3.29Å; L186-G188 VanDerWaalsContact C-N 3.34Å; L186-F209 HydrophobicContact CD2-CB 4.02Å; L186-F209 HydrophobicContact CD2-CD1 3.65Å; L186-F209 HydrophobicContact CD2-CE1 4.49Å; L186-F209 HydrophobicContact CD2-CG 4.11Å; L186-F237 HydrophobicContact CD2-CB 4.5Å; L186-L242 HydrophobicContact CD1-CD1 4.41Å; L186-L242 HydrophobicContact CD2-CD2 4.09Å; L186-Y248 HydrophobicContact CD1-CD1 3.72Å; L186-Y248 HydrophobicContact CD1-CG 4.33Å; L186-Y248 HydrophobicContact CD2-CD1 4.36Å; L186-Y248 HydrophobicContact CG-CD1 4.02Å; L186-I249 PolarHBondContact N-O 3.21Å; L186-L250 HydrophobicContact CB-CD2 3.63Å; L186-L250 HydrophobicContact CD1-CD2 4.02Å; L186-L250 HydrophobicContact CG-CD2 4.45Å; L186-V253 WeakPolarHBondContact O-CG2 3.42Å; L186-I269 HydrophobicContact CD1-CD1 3.54Å; L186-I269 HydrophobicContact CD1-CG1 3.76Å
187G97.5Very high96.6Very high24 Ų2422.8 Ų22.825%0.24714%0.143CC..THydrogen-bonded Turntrans74.325.7-17000000112.9G189 F209 D210G187-G189 PolarHBondContact O-N 3.37Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G187-F209 PolarHBondContact N-O 3.3Å; G187-D210 VanDerWaalsContact CA-OD2 3.31Å; G187-D210 WeakPolarHBondContact CA-OD2 3.34Å
188G97.3Very high96.4Very high10 Ų1023.7 Ų23.710%0.10315%0.147CC..  trans-69.2-5.8-174.300000115.1D185 L186 A190 G191 D210D185-G188 VanDerWaalsContact CG-CA 3.49Å; D185-G188 PolarHBondContact O-N 3.26Å; D185-G188 WeakPolarHBondContact OD2-CA 3.22Å; L186-G188 VanDerWaalsContact C-N 3.34Å; G188-A190 PolarHBondContact O-N 3.33Å; G188-G191 PolarHBondContact O-N 2.66Å; G188-D210 PolarHBondContact N-OD2 3.44Å
189G96Very high96.2Very high13 Ų1325 Ų2513%0.13416%0.156CC..THydrogen-bonded Turntrans58.8-117.917100000113.8G187 G191 D210G187-G189 PolarHBondContact O-N 3.37Å; G187-G189 VanDerWaalsContact O-N 3.14Å; G189-G191 PolarHBondContact O-N 2.92Å; G189-D210 WeakPolarHBondContact CA-OD2 3.37Å; G189-D210 PolarHBondContact N-OD2 3.49Å
190A95.5Very high96.2Very high7 Ų723 Ų236%0.05814%0.142CC..THydrogen-bonded Turntrans-75.42.317800000113.9M157 Q161 G188 A192 F222 F224M157-A190 HydrophobicContact CE-CB 4.2Å; Q161-A190 HydrophobicContact CB-CB 4.18Å; G188-A190 PolarHBondContact O-N 3.33Å; A190-A192 VanDerWaalsContact C-N 3.28Å; A190-A192 PolarHBondContact O-N 2.8Å; A190-F222 HydrophobicContact CB-CD1 3.68Å; A190-F222 HydrophobicContact CB-CD2 4.17Å; A190-F222 HydrophobicContact CB-CE1 3.64Å; A190-F222 HydrophobicContact CB-CE2 4.13Å; A190-F222 HydrophobicContact CB-CG 3.94Å; A190-F222 HydrophobicContact CB-CZ 3.86Å; A190-F224 WeakPolarHBondContact O-CE1 3.34Å; A190-F224 WeakPolarHBondContact O-CZ 3.49Å
191G96Very high96.1Very high0 Ų024.1 Ų24.10%015%0.147CC..SBendtrans71.812.5174.800000115.7G188 G189 L193 A194 K195G188-G191 PolarHBondContact O-N 2.66Å; G189-G191 PolarHBondContact O-N 2.92Å; G191-L193 PolarHBondContact O-N 3Å; G191-A194 WeakPolarHBondContact O-CB 3.35Å; G191-A194 PolarHBondContact O-N 3.1Å; G191-K195 WeakPolarHBondContact O-CB 3.36Å; G191-K195 PolarHBondContact O-N 2.93Å
192A95.3Very high95.9Very high23 Ų2326 Ų2619%0.1916%0.159CC..Hα-helixtrans-65.2-37.9-178.500000113.2Q161 W164 A190 K195 E196Q161-A192 HydrophobicContact CB-CB 3.55Å; W164-A192 HydrophobicContact CB-CB 4.28Å; A190-A192 VanDerWaalsContact C-N 3.28Å; A190-A192 PolarHBondContact O-N 2.8Å; A192-K195 PolarHBondContact O-N 2.86Å; A192-E196 PolarHBondContact O-N 3.11Å; A192-E196 VanDerWaalsContact O-N 3.08Å
193L96.9Very high95.7Very high1 Ų127.3 Ų27.31%0.00518%0.184CC..Hα-helixtrans-66.7-42.4173.8-172.667.4000111.1W164 V171 L172 G191 K195 E196 C197 I249 A251 I282W164-L193 HydrophobicContact CB-CB 4.49Å; W164-L193 HydrophobicContact CD2-CB 4.12Å; W164-L193 HydrophobicContact CD2-CD1 3.93Å; W164-L193 HydrophobicContact CD2-CG 4.44Å; W164-L193 HydrophobicContact CE3-CD1 3.83Å; W164-L193 HydrophobicContact CG-CB 3.91Å; W164-L193 HydrophobicContact CG-CD1 4.24Å; W164-L193 HydrophobicContact CZ2-CD2 4.44Å; W164-L193 HydrophobicContact CZ3-CD1 4.38Å; V171-L193 HydrophobicContact CG2-CD1 4.19Å; L172-L193 HydrophobicContact CD1-CD1 3.62Å; L172-L193 HydrophobicContact CD1-CG 4.21Å; L172-L193 HydrophobicContact CD2-CD1 4.21Å; L172-L193 HydrophobicContact CD2-CG 4.36Å; L172-L193 HydrophobicContact CG-CD1 3.82Å; L172-L193 HydrophobicContact CG-CG 4.47Å; G191-L193 PolarHBondContact O-N 3Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.89Å; L193-E196 PolarHBondContact O-N 3.04Å; L193-C197 WeakPolarHBondContact O-CB 3.49Å; L193-C197 PolarHBondContact O-N 2.87Å; L193-I249 HydrophobicContact CD2-CG2 4.06Å; L193-A251 HydrophobicContact CD2-CB 3.36Å; L193-I282 HydrophobicContact CD2-CD1 3.96Å
194A96.4Very high95.5Very high0 Ų027.9 Ų27.90%019%0.188CC..Hα-helixtrans-60-39.9175.500000112.5G191 C197 M198 I206 V208 I230G191-A194 WeakPolarHBondContact O-CB 3.35Å; G191-A194 PolarHBondContact O-N 3.1Å; A194-C197 WeakPolarHBondContact O-CB 3.48Å; A194-C197 PolarHBondContact O-N 2.62Å; A194-M198 WeakPolarHBondContact O-CG 3.4Å; A194-M198 PolarHBondContact O-N 3.07Å; A194-I206 HydrophobicContact CB-CD1 3.8Å; A194-I206 HydrophobicContact CB-CG1 4.03Å; A194-I206 HydrophobicContact CB-CG2 3.85Å; A194-V208 HydrophobicContact CB-CG2 3.5Å; A194-I230 HydrophobicContact CB-CD1 4.31Å; A194-I230 HydrophobicContact CB-CG2 4.29Å
195K93.8Very high95.3Very high83 Ų8333.9 Ų33.936%0.36121%0.214SC..Hα-helixtrans-62.9-45.6174.3178.6169.6173.9143.60113G191 A192 L193 C197 M198 S199 E228 I230G191-K195 WeakPolarHBondContact O-CB 3.36Å; G191-K195 PolarHBondContact O-N 2.93Å; A192-K195 PolarHBondContact O-N 2.86Å; L193-K195 VanDerWaalsContact C-N 3.31Å; L193-K195 PolarHBondContact O-N 2.89Å; K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.31Å; K195-M198 PolarHBondContact O-N 2.8Å; K195-S199 PolarHBondContact O-N 2.83Å; K195-S199 VanDerWaalsContact O-N 3.09Å; K195-E228 WeakPolarHBondContact CE-OE1 3.46Å; K195-E228 IonicContact NZ-OE1 2.73Å; K195-E228 PolarHBondContact NZ-OE1 2.65Å; K195-E228 IonicContact NZ-OE2 3.76Å; K195-I230 HydrophobicContact CB-CD1 3.89Å
196E94.5Very high95.2Very high50 Ų5033.9 Ų33.923%0.23421%0.214CC..Hα-helixtrans-61.7-38.7173.2-175.863.2-163.500110.9R169 L172 A192 L193 S199 L200R169-E196 WeakPolarHBondContact CB-OE1 3.47Å; L172-E196 HydrophobicContact CD1-CB 3.92Å; L172-E196 HydrophobicContact CD1-CG 3.83Å; A192-E196 PolarHBondContact O-N 3.11Å; A192-E196 VanDerWaalsContact O-N 3.08Å; L193-E196 PolarHBondContact O-N 3.04Å; E196-S199 WeakPolarHBondContact O-CB 3.13Å; E196-S199 PolarHBondContact O-N 3.03Å; E196-L200 HydrophobicContact CG-CD1 4.05Å; E196-L200 WeakPolarHBondContact O-CG 3.43Å; E196-L200 PolarHBondContact O-N 3.15Å
197C95.7Very high95.2Very high0 Ų034.5 Ų34.50%022%0.218CC..Hα-helixtrans-61.4-45.5176.5-167.90000112.1L172 M183 L193 A194 K195 S199 L200 Y201 I206L172-C197 HydrophobicContact CD1-CB 3.86Å; L172-C197 HydrophobicContact CD2-CB 4.17Å; M183-C197 PolarHBondContact SD-SG 3Å; L193-C197 WeakPolarHBondContact O-CB 3.49Å; L193-C197 PolarHBondContact O-N 2.87Å; A194-C197 WeakPolarHBondContact O-CB 3.48Å; A194-C197 PolarHBondContact O-N 2.62Å; K195-C197 VanDerWaalsContact C-N 3.26Å; K195-C197 PolarHBondContact O-N 3.31Å; C197-S199 VanDerWaalsContact C-N 3.31Å; C197-S199 PolarHBondContact O-N 3.35Å; C197-L200 PolarHBondContact O-N 3.14Å; C197-Y201 WeakPolarHBondContact O-CD2 3.5Å; C197-Y201 PolarHBondContact O-N 3.19Å; C197-I206 HydrophobicContact CB-CD1 4.05Å
198M93.6Very high95.2Very high19 Ų1933.3 Ų33.39%0.09421%0.206CC..Hα-helixtrans-64.9-33.7176.8-67.6-62.787.500113.1A194 K195 Y201 P202 C204 I206 I230A194-M198 WeakPolarHBondContact O-CG 3.4Å; A194-M198 PolarHBondContact O-N 3.07Å; K195-M198 PolarHBondContact O-N 2.8Å; M198-Y201 CarbonylContact O-C 3.5Å; M198-P202 WeakPolarHBondContact O-CA 3.45Å; M198-C204 HydrophobicContact CE-CB 3.95Å; M198-C204 VanDerWaalsContact SD-O 3.34Å; M198-I206 HydrophobicContact CE-CB 3.75Å; M198-I206 HydrophobicContact CE-CG2 3.74Å; M198-I206 HydrophobicContact CG-CG2 3.5Å; M198-I206 VanDerWaalsContact CG-CG2 3.5Å; M198-I206 HydrophobicContact SD-CB 4.17Å; M198-I206 HydrophobicContact SD-CG2 3.62Å; M198-I230 HydrophobicContact CG-CG1 4.06Å
199S92.8Very high95.3Very high87 Ų8733 Ų3361%0.60820%0.202SC*.Hα-helixtrans-63.8-40172.7-178.80000112.2K195 E196 C197K195-S199 PolarHBondContact O-N 2.83Å; K195-S199 VanDerWaalsContact O-N 3.09Å; E196-S199 WeakPolarHBondContact O-CB 3.13Å; E196-S199 PolarHBondContact O-N 3.03Å; C197-S199 VanDerWaalsContact C-N 3.31Å; C197-S199 PolarHBondContact O-N 3.35Å
200L95.7Very high95.4Very high37 Ų3733.1 Ų33.119%0.19420%0.199CC..Hα-helixtrans-80.1-32.5-179.4-67168.3000113.2R169 L172 T173 E196 C197 P202R169-L200 HydrophobicContact CG-CD1 4.32Å; R169-L200 HydrophobicContact CG-CD2 4.21Å; L172-L200 HydrophobicContact CB-CD1 3.76Å; L172-L200 HydrophobicContact CD1-CD1 4.15Å; T173-L200 HydrophobicContact CG2-CD1 3.9Å; T173-L200 HydrophobicContact CG2-CD2 4.02Å; E196-L200 HydrophobicContact CG-CD1 4.05Å; E196-L200 WeakPolarHBondContact O-CG 3.43Å; E196-L200 PolarHBondContact O-N 3.15Å; C197-L200 PolarHBondContact O-N 3.14Å; L200-P202 VanDerWaalsContact C-CD 3.49Å; L200-P202 WeakPolarHBondContact O-CD 3.28Å
201Y95.7Very high95.5Very high27 Ų2734.9 Ų34.911%0.10621%0.207CC..  trans-128.665.8-174.3-56.8-78.7000111.4L172 F175 L177 C197 M198 G203 C204L172-Y201 PolarHBondContact O-OH 2.85Å; L172-Y201 VanDerWaalsContact O-OH 3.1Å; F175-Y201 PolarHBondContact O-OH 3.07Å; F175-Y201 VanDerWaalsContact O-OH 3.08Å; L177-Y201 HydrophobicContact CB-CD1 4.43Å; L177-Y201 HydrophobicContact CB-CD2 4.24Å; L177-Y201 HydrophobicContact CB-CE1 4Å; L177-Y201 HydrophobicContact CB-CE2 3.8Å; L177-Y201 HydrophobicContact CD1-CE2 3.97Å; L177-Y201 HydrophobicContact CG-CE2 4.05Å; C197-Y201 WeakPolarHBondContact O-CD2 3.5Å; C197-Y201 PolarHBondContact O-N 3.19Å; M198-Y201 CarbonylContact O-C 3.5Å; Y201-G203 PolarHBondContact O-N 2.83Å; Y201-C204 WeakPolarHBondContact O-CB 3.35Å; Y201-C204 PolarHBondContact O-N 3.24Å
202P91.5Very high95.5Very high114 Ų11437.5 Ų37.574%0.7422%0.224SC*.THydrogen-bonded Turntrans-65.9-10.5-172.426.7-36.9000115M198 L200M198-P202 WeakPolarHBondContact O-CA 3.45Å; L200-P202 VanDerWaalsContact C-CD 3.49Å; L200-P202 WeakPolarHBondContact O-CD 3.28Å
203G91.4Very high95.6Very high76 Ų7640.9 Ų40.978%0.78424%0.236SC*.THydrogen-bonded Turntrans-88.4-5.4173.200000114.3Y201Y201-G203 PolarHBondContact O-N 2.83Å
204C94.2Very high95.6Very high12 Ų1240.9 Ų40.98%0.08124%0.236CC..SBendtrans-98165-179.9-61.20000110.6P181 M183 M198 Y201P181-C204 CarbonylContact O-C 3.36Å; P181-C204 VanDerWaalsContact O-CA 3.31Å; P181-C204 WeakPolarHBondContact O-CA 3.32Å; M183-C204 HydrophobicContact CE-CB 3.93Å; M198-C204 HydrophobicContact CE-CB 3.95Å; M198-C204 VanDerWaalsContact SD-O 3.34Å; Y201-C204 WeakPolarHBondContact O-CB 3.35Å; Y201-C204 PolarHBondContact O-N 3.24Å
205K95Very high95.6Very high127 Ų12740.9 Ų40.955%0.55224%0.236SC*.EExtended strand (participates in β ladder)trans-117.8145.3169.7-65.1-175.6177.9-173.90109P181 L182 M183P181-K205 PolarHBondContact O-N 3.26Å; L182-K205 HydrophobicContact CD1-CB 4Å; M183-K205 PolarHBondContact N-O 2.88Å
206I96.5Very high95.7Very high2 Ų243 Ų431%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-131.1134.2177-166.2153.9000111.3M183 D185 A194 C197 M198 I230 D231 I249M183-I206 HydrophobicContact CB-CB 4.3Å; M183-I206 HydrophobicContact CB-CD1 4.03Å; M183-I206 HydrophobicContact CB-CG1 3.99Å; M183-I206 WeakPolarHBondContact O-CA 3.42Å; D185-I206 HydrophobicContact CB-CD1 4.33Å; D185-I206 HydrophobicContact CB-CG1 4.48Å; A194-I206 HydrophobicContact CB-CD1 3.8Å; A194-I206 HydrophobicContact CB-CG1 4.03Å; A194-I206 HydrophobicContact CB-CG2 3.85Å; C197-I206 HydrophobicContact CB-CD1 4.05Å; M198-I206 HydrophobicContact CE-CB 3.75Å; M198-I206 HydrophobicContact CE-CG2 3.74Å; M198-I206 HydrophobicContact CG-CG2 3.5Å; M198-I206 VanDerWaalsContact CG-CG2 3.5Å; M198-I206 HydrophobicContact SD-CB 4.17Å; M198-I206 HydrophobicContact SD-CG2 3.62Å; I206-I230 HydrophobicContact CG2-CB 4.45Å; I206-I230 HydrophobicContact CG2-CG1 3.95Å; I206-I230 HydrophobicContact CG2-CG2 4.24Å; I206-D231 PolarHBondContact O-N 3.34Å; I206-D231 VanDerWaalsContact O-N 3.1Å; I206-I249 HydrophobicContact CD1-CD1 4.1Å
207T97.6Very high95.8Very high12 Ų1240.7 Ų40.77%0.07423%0.231CC..EExtended strand (participates in β ladder)trans-103.4129168.2-56.90000108.7M183 C184 D185 D231 Q233 P243M183-T207 PolarHBondContact O-N 3.44Å; C184-T207 CarbonylContact C-O 3.52Å; C184-T207 VanDerWaalsContact CA-O 3.29Å; C184-T207 WeakPolarHBondContact CA-O 3.28Å; D185-T207 PolarHBondContact N-O 3.49Å; T207-D231 CarbonylContact C-O 3.25Å; T207-D231 VanDerWaalsContact CA-O 3.3Å; T207-D231 WeakPolarHBondContact CA-O 3.47Å; T207-D231 HydrophobicContact CG2-CB 4.36Å; T207-Q233 HydrophobicContact CG2-CB 3.97Å; T207-Q233 HydrophobicContact CG2-CG 3.72Å; T207-P243 HydrophobicContact CG2-CB 4.36Å; T207-P243 HydrophobicContact CG2-CG 4.2Å
208V98.3Very high95.8Very high0 Ų040.7 Ų40.70%023%0.231CC..EExtended strand (participates in β ladder)trans-89.7121.5164.4176.40000107.4D185 A194 I230 D231 F232 Q233D185-V208 HydrophobicContact CB-CG2 4.46Å; A194-V208 HydrophobicContact CB-CG2 3.5Å; V208-I230 HydrophobicContact CB-CG2 4.49Å; V208-I230 HydrophobicContact CG2-CG2 3.69Å; V208-D231 PolarHBondContact N-O 3.25Å; V208-F232 HydrophobicContact CB-CD1 3.79Å; V208-F232 HydrophobicContact CB-CE1 3.68Å; V208-F232 HydrophobicContact CB-CG 4.34Å; V208-F232 HydrophobicContact CB-CZ 4.13Å; V208-F232 HydrophobicContact CG1-CD1 3.85Å; V208-F232 HydrophobicContact CG1-CE1 3.57Å; V208-F232 HydrophobicContact CG1-CZ 4.35Å; V208-F232 HydrophobicContact CG2-CE1 4.1Å; V208-F232 HydrophobicContact CG2-CZ 4.07Å; V208-F232 WeakPolarHBondContact O-CA 3.46Å; V208-Q233 PolarHBondContact O-N 3.42Å
209F98.7Very high95.7Very high4 Ų445.2 Ų45.22%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-118.3118.1-179.7-178.2-94.2000110.1D185 L186 G187 Q233 G235 F237 L242 P243D185-F209 PolarHBondContact O-N 2.91Å; L186-F209 HydrophobicContact CD2-CB 4.02Å; L186-F209 HydrophobicContact CD2-CD1 3.65Å; L186-F209 HydrophobicContact CD2-CE1 4.49Å; L186-F209 HydrophobicContact CD2-CG 4.11Å; G187-F209 PolarHBondContact N-O 3.3Å; F209-Q233 WeakPolarHBondContact CA-O 3.27Å; F209-Q233 HydrophobicContact CD2-CB 3.91Å; F209-G235 WeakPolarHBondContact CE1-O 3.36Å; F209-G235 VanDerWaalsContact CZ-C 3.49Å; F209-G235 VanDerWaalsContact CZ-CA 3.42Å; F209-F237 HydrophobicContact CD1-CB 4.3Å; F209-F237 HydrophobicContact CE1-CB 3.94Å; F209-L242 HydrophobicContact CE1-CD2 4.13Å; F209-P243 HydrophobicContact CB-CG 4.07Å; F209-P243 VanDerWaalsContact CD2-CD 3.48Å; F209-P243 HydrophobicContact CD2-CG 3.43Å; F209-P243 VanDerWaalsContact CD2-CG 3.43Å; F209-P243 HydrophobicContact CE2-CG 4.06Å; F209-P243 HydrophobicContact CG-CG 3.92Å
210D98.4Very high95.7Very high14 Ų1445.4 Ų45.48%0.07524%0.241CC..EExtended strand (participates in β ladder)trans-151.3172.3-176.1-143.6-51.6000110.8G187 G188 G189 V214 V215 Q233 E234 G235G187-D210 VanDerWaalsContact CA-OD2 3.31Å; G187-D210 WeakPolarHBondContact CA-OD2 3.34Å; G188-D210 PolarHBondContact N-OD2 3.44Å; G189-D210 WeakPolarHBondContact CA-OD2 3.37Å; G189-D210 PolarHBondContact N-OD2 3.49Å; D210-V214 HydrophobicContact CB-CB 4.22Å; D210-V214 HydrophobicContact CB-CG1 3.93Å; D210-V214 VanDerWaalsContact CG-CG1 3.46Å; D210-V215 HydrophobicContact CB-CG2 3.97Å; D210-Q233 PolarHBondContact N-O 2.92Å; D210-E234 CarbonylContact O-C 3.26Å; D210-E234 WeakPolarHBondContact O-CA 3.1Å; D210-G235 CarbonylContact C-O 3.52Å; D210-G235 VanDerWaalsContact C-O 3.25Å; D210-G235 PolarHBondContact O-N 3.4Å
211I97.5Very high95.5Very high45 Ų4548 Ų4823%0.23125%0.252CS..  trans-64151.5179.164.7177000111.3Y147 E213 V214 V215 G235Y147-I211 HydrophobicContact CD2-CD1 4.21Å; Y147-I211 HydrophobicContact CE2-CD1 3.97Å; I211-E213 VanDerWaalsContact C-N 3.29Å; I211-E213 PolarHBondContact O-N 3.09Å; I211-E213 VanDerWaalsContact O-N 3.15Å; I211-V214 HydrophobicContact CD1-CG2 3.93Å; I211-V214 HydrophobicContact CG1-CB 3.91Å; I211-V214 HydrophobicContact CG1-CG2 3.52Å; I211-V214 PolarHBondContact O-N 3.2Å; I211-V215 PolarHBondContact O-N 3.01Å; I211-G235 PolarHBondContact N-O 2.85Å
212P96.7Very high95.3Very high54 Ų5447.7 Ų47.735%0.35125%0.252SS..Hα-helixtrans-52.6-41.9-172-28.134.8000114.6V214 V215 W216 E234P212-V214 VanDerWaalsContact C-N 3.31Å; P212-V214 PolarHBondContact O-N 2.91Å; P212-V215 PolarHBondContact O-N 3.18Å; P212-W216 WeakPolarHBondContact O-CB 3.45Å; P212-W216 PolarHBondContact O-N 2.96Å; P212-E234 HydrophobicContact CB-CB 4.49Å; P212-E234 HydrophobicContact CG-CB 4.29Å
213E96Very high94.7Very high95 Ų9547.6 Ų47.644%0.44425%0.254SS..Hα-helixtrans-65.9-35-178.2-60.578.1-171.200112.3R153 I211 T217R153-E213 PolarHBondContact NE-O 3.03Å; I211-E213 VanDerWaalsContact C-N 3.29Å; I211-E213 PolarHBondContact O-N 3.09Å; I211-E213 VanDerWaalsContact O-N 3.15Å; E213-T217 WeakPolarHBondContact O-CB 3.08Å; E213-T217 PolarHBondContact O-N 2.66Å; E213-T217 VanDerWaalsContact O-N 3.1Å; E213-T217 PolarHBondContact O-OG1 3.18Å
214V97.3Very high93.8Very high0 Ų046.9 Ų46.90%023%0.229CC..Hα-helixtrans-72.6-47.7177.4172.20000110Y147 M157 D210 I211 P212 W216 T217 A218Y147-V214 HydrophobicContact CD2-CG2 4.35Å; Y147-V214 HydrophobicContact CE2-CG2 3.49Å; Y147-V214 VanDerWaalsContact CE2-CG2 3.49Å; M157-V214 HydrophobicContact CE-CG1 3.82Å; M157-V214 WeakPolarHBondContact CE-O 3.43Å; M157-V214 HydrophobicContact SD-CG1 4.04Å; D210-V214 HydrophobicContact CB-CB 4.22Å; D210-V214 HydrophobicContact CB-CG1 3.93Å; D210-V214 VanDerWaalsContact CG-CG1 3.46Å; I211-V214 HydrophobicContact CD1-CG2 3.93Å; I211-V214 HydrophobicContact CG1-CB 3.91Å; I211-V214 HydrophobicContact CG1-CG2 3.52Å; I211-V214 PolarHBondContact O-N 3.2Å; P212-V214 VanDerWaalsContact C-N 3.31Å; P212-V214 PolarHBondContact O-N 2.91Å; V214-W216 VanDerWaalsContact C-N 3.32Å; V214-W216 PolarHBondContact O-N 3.07Å; V214-T217 PolarHBondContact O-N 3.39Å; V214-A218 WeakPolarHBondContact O-CB 3.32Å; V214-A218 PolarHBondContact O-N 3Å
215V96.8Very high92.6Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-60.2-42.3176.5171.60000111.8D210 I211 P212 A218 K219 F232 E234D210-V215 HydrophobicContact CB-CG2 3.97Å; I211-V215 PolarHBondContact O-N 3.01Å; P212-V215 PolarHBondContact O-N 3.18Å; V215-A218 WeakPolarHBondContact O-CB 3.34Å; V215-A218 PolarHBondContact O-N 3.25Å; V215-K219 HydrophobicContact CG1-CD 4.04Å; V215-K219 WeakPolarHBondContact O-CG 3.17Å; V215-K219 PolarHBondContact O-N 2.92Å; V215-F232 HydrophobicContact CG1-CB 4.04Å; V215-F232 HydrophobicContact CG1-CD1 4.46Å; V215-E234 HydrophobicContact CB-CG 3.66Å; V215-E234 HydrophobicContact CG1-CG 3.59Å; V215-E234 HydrophobicContact CG2-CG 3.89Å
216W95.7Very high91Very high129 Ų12955.3 Ų55.349%0.48927%0.269SS..Hα-helixtrans-62.3-45.9176.7-179.449000111.6P212 V214 A218 K219 Q220P212-W216 WeakPolarHBondContact O-CB 3.45Å; P212-W216 PolarHBondContact O-N 2.96Å; V214-W216 VanDerWaalsContact C-N 3.32Å; V214-W216 PolarHBondContact O-N 3.07Å; W216-A218 VanDerWaalsContact C-N 3.31Å; W216-A218 PolarHBondContact O-N 2.78Å; W216-K219 PolarHBondContact O-N 2.95Å; W216-Q220 VanDerWaalsContact CE2-OE1 3.31Å; W216-Q220 VanDerWaalsContact NE1-CD 3.29Å; W216-Q220 VanDerWaalsContact NE1-NE2 3.14Å; W216-Q220 WeakPolarHBondContact O-CB 3.07Å; W216-Q220 VanDerWaalsContact O-CG 3.31Å; W216-Q220 WeakPolarHBondContact O-CG 3.14Å; W216-Q220 PolarHBondContact O-N 3.26Å
217T96.4Very high89.3Confident0 Ų062.2 Ų62.20%030%0.301CS..Hα-helixtrans-64.2-38.4177.5-57.20000111R153 L154 M157 E213 V214 Q220 H221R153-T217 PolarHBondContact NE-OG1 2.8Å; R153-T217 PolarHBondContact NH2-OG1 3.01Å; L154-T217 HydrophobicContact CB-CG2 4.34Å; L154-T217 HydrophobicContact CD1-CG2 3.99Å; M157-T217 HydrophobicContact CE-CG2 4.17Å; M157-T217 HydrophobicContact SD-CG2 3.53Å; M157-T217 VanDerWaalsContact SD-CG2 3.53Å; E213-T217 WeakPolarHBondContact O-CB 3.08Å; E213-T217 PolarHBondContact O-N 2.66Å; E213-T217 VanDerWaalsContact O-N 3.1Å; E213-T217 PolarHBondContact O-OG1 3.18Å; V214-T217 PolarHBondContact O-N 3.39Å; T217-Q220 PolarHBondContact O-N 3.4Å; T217-H221 WeakPolarHBondContact O-CB 3.25Å; T217-H221 PolarHBondContact O-CD2 2.88Å; T217-H221 PolarHBondContact O-N 3.19Å
218A95.6Very high87.8Confident0 Ų062.8 Ų62.80%030%0.304CS..Hα-helixtrans-58.4-53.2175.200000110.6M157 V214 V215 W216 Q220 H221 F222 F232M157-A218 HydrophobicContact CE-CB 3.88Å; V214-A218 WeakPolarHBondContact O-CB 3.32Å; V214-A218 PolarHBondContact O-N 3Å; V215-A218 WeakPolarHBondContact O-CB 3.34Å; V215-A218 PolarHBondContact O-N 3.25Å; W216-A218 VanDerWaalsContact C-N 3.31Å; W216-A218 PolarHBondContact O-N 2.78Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 2.82Å; A218-H221 PolarHBondContact O-N 3.36Å; A218-F222 WeakPolarHBondContact O-CB 3.43Å; A218-F222 PolarHBondContact O-N 2.76Å; A218-F232 HydrophobicContact CB-CD1 4.35Å; A218-F232 HydrophobicContact CB-CE1 3.87Å
219K92.3Very high86.8Confident114 Ų11469.4 Ų69.450%0.49633%0.334SS..Hα-helixtrans-62.2-29.5179.3-71.9172.7179.5166.70113.5V215 W216 F232 E234V215-K219 HydrophobicContact CG1-CD 4.04Å; V215-K219 WeakPolarHBondContact O-CG 3.17Å; V215-K219 PolarHBondContact O-N 2.92Å; W216-K219 PolarHBondContact O-N 2.95Å; K219-F232 PolarHBondContact NZ-O 3Å; K219-E234 IonicContact NZ-OE1 3.42Å
220Q92.7Very high86.4Confident91 Ų9170.3 Ų70.343%0.42534%0.339SS..Hα-helixtrans-83.8-40-178.7-75.5-179.9-44.900113.9W216 T217 A218W216-Q220 VanDerWaalsContact CE2-OE1 3.31Å; W216-Q220 VanDerWaalsContact NE1-CD 3.29Å; W216-Q220 VanDerWaalsContact NE1-NE2 3.14Å; W216-Q220 WeakPolarHBondContact O-CB 3.07Å; W216-Q220 VanDerWaalsContact O-CG 3.31Å; W216-Q220 WeakPolarHBondContact O-CG 3.14Å; W216-Q220 PolarHBondContact O-N 3.26Å; T217-Q220 PolarHBondContact O-N 3.4Å; A218-Q220 VanDerWaalsContact C-N 3.26Å; A218-Q220 PolarHBondContact O-N 2.82Å
221H92.3Very high86.2Confident92 Ų9273.3 Ų73.343%0.42636%0.355SS..Hα-helixtrans-110.3-16.7-167.1-68.4-79.3000114.2L154 T217 A218L154-H221 HydrophobicContact CD1-CB 3.63Å; T217-H221 WeakPolarHBondContact O-CB 3.25Å; T217-H221 PolarHBondContact O-CD2 2.88Å; T217-H221 PolarHBondContact O-N 3.19Å; A218-H221 PolarHBondContact O-N 3.36Å
222F90.3Very high86.1Confident20 Ų2072 Ų729%0.08835%0.348CS..SBendtrans-116.7126.2-175.2-55.1-97.8000108.5L154 M157 Q158 Q161 A190 A218 F224L154-F222 HydrophobicContact CD1-CE2 3.75Å; L154-F222 HydrophobicContact CD1-CZ 3.86Å; M157-F222 HydrophobicContact CB-CE2 4.21Å; M157-F222 HydrophobicContact CB-CZ 3.81Å; M157-F222 HydrophobicContact CE-CD2 4.38Å; M157-F222 HydrophobicContact CE-CE2 3.8Å; M157-F222 HydrophobicContact CE-CZ 4.42Å; Q158-F222 HydrophobicContact CG-CE1 4Å; Q158-F222 HydrophobicContact CG-CZ 3.84Å; Q161-F222 VanDerWaalsContact CD-CE1 3.45Å; Q161-F222 HydrophobicContact CG-CE1 4.21Å; A190-F222 HydrophobicContact CB-CD1 3.68Å; A190-F222 HydrophobicContact CB-CD2 4.17Å; A190-F222 HydrophobicContact CB-CE1 3.64Å; A190-F222 HydrophobicContact CB-CE2 4.13Å; A190-F222 HydrophobicContact CB-CG 3.94Å; A190-F222 HydrophobicContact CB-CZ 3.86Å; A218-F222 WeakPolarHBondContact O-CB 3.43Å; A218-F222 PolarHBondContact O-N 2.76Å; F222-F224 HydrophobicContact CB-CE2 4.07Å; F222-F224 HydrophobicContact CB-CZ 4.06Å; F222-F224 WeakPolarHBondContact O-CD2 3.37Å; F222-F224 WeakPolarHBondContact O-CE2 3.45Å
223S78.6Confident86.2Confident113 Ų11372.9 Ų72.979%0.7935%0.347SS*.  trans-90.1124.1-176.4-60.90000110.4
224F73.7Confident86.3Confident60 Ų6073.5 Ų73.526%0.26335%0.35SS..  trans-108.6137.3170.3-54.2-83000108.3A190 F222 E228 I230 F232A190-F224 WeakPolarHBondContact O-CE1 3.34Å; A190-F224 WeakPolarHBondContact O-CZ 3.49Å; F222-F224 HydrophobicContact CB-CE2 4.07Å; F222-F224 HydrophobicContact CB-CZ 4.06Å; F222-F224 WeakPolarHBondContact O-CD2 3.37Å; F222-F224 WeakPolarHBondContact O-CE2 3.45Å; F224-E228 VanDerWaalsContact CA-OE2 3.27Å; F224-E228 WeakPolarHBondContact CA-OE2 3.37Å; F224-E228 WeakPolarHBondContact CB-OE2 3.44Å; F224-I230 HydrophobicContact CD1-CD1 4.11Å; F224-I230 HydrophobicContact CE1-CD1 4.49Å; F224-F232 HydrophobicContact CD1-CE2 4.14Å; F224-F232 HydrophobicContact CD1-CZ 4.42Å; F224-F232 HydrophobicContact CD2-CE2 4.01Å; F224-F232 HydrophobicContact CD2-CZ 4.42Å; F224-F232 AromaticContact CE1-CE2 3.8Å; F224-F232 HydrophobicContact CE1-CE2 3.8Å; F224-F232 AromaticContact CE1-CZ 3.63Å; F224-F232 HydrophobicContact CE1-CZ 3.63Å; F224-F232 AromaticContact CE2-CE2 3.68Å; F224-F232 HydrophobicContact CE2-CE2 3.68Å; F224-F232 AromaticContact CE2-CZ 3.65Å; F224-F232 HydrophobicContact CE2-CZ 3.65Å; F224-F232 HydrophobicContact CG-CE2 4.24Å; F224-F232 HydrophobicContact CZ-CE1 4.23Å; F224-F232 AromaticContact CZ-CE2 3.57Å; F224-F232 HydrophobicContact CZ-CE2 3.57Å; F224-F232 AromaticContact CZ-CZ 3.19Å; F224-F232 HydrophobicContact CZ-CZ 3.19Å
225Q68.9Low86.3Confident127 Ų12773.7 Ų73.759%0.59335%0.352SS*.  trans-73.3143.6171.5-61.2-173-2300108.5E227 E228Q225-E227 WeakPolarHBondContact CB-OE2 3.2Å; Q225-E227 PolarHBondContact O-N 3.23Å; Q225-E227 VanDerWaalsContact O-N 3.11Å; Q225-E228 HydrophobicContact CB-CG 4.02Å; Q225-E228 PolarHBondContact N-OE2 2.94Å; Q225-E228 VanDerWaalsContact N-OE2 3.13Å; Q225-E228 WeakPolarHBondContact O-CB 3.29Å; Q225-E228 PolarHBondContact O-N 2.81Å
226E61.5Low86.4Confident189 Ų18975.4 Ų75.488%0.88336%0.361SS*.G310 helixtrans-56.9-30.3179.2-71.8-176.1177.100111.4E228E226-E228 VanDerWaalsContact C-N 3.26Å; E226-E228 PolarHBondContact O-N 2.83Å
227E60.5Low86.4Confident147 Ų14770.2 Ų70.269%0.68734%0.342SS*.G310 helixtrans-68.2-19.5177.3-61.182.7-18000114Q225 Q229Q225-E227 WeakPolarHBondContact CB-OE2 3.2Å; Q225-E227 PolarHBondContact O-N 3.23Å; Q225-E227 VanDerWaalsContact O-N 3.11Å; E227-Q229 PolarHBondContact O-N 3.38Å
228E66.5Low86.5Confident25 Ų2571.8 Ų71.812%0.11735%0.349CS..G310 helixtrans-71-17.5-175.7-72.3167-175.900112.3K195 F224 Q225 E226 I230K195-E228 WeakPolarHBondContact CE-OE1 3.46Å; K195-E228 IonicContact NZ-OE1 2.73Å; K195-E228 PolarHBondContact NZ-OE1 2.65Å; K195-E228 IonicContact NZ-OE2 3.76Å; F224-E228 VanDerWaalsContact CA-OE2 3.27Å; F224-E228 WeakPolarHBondContact CA-OE2 3.37Å; F224-E228 WeakPolarHBondContact CB-OE2 3.44Å; Q225-E228 HydrophobicContact CB-CG 4.02Å; Q225-E228 PolarHBondContact N-OE2 2.94Å; Q225-E228 VanDerWaalsContact N-OE2 3.13Å; Q225-E228 WeakPolarHBondContact O-CB 3.29Å; Q225-E228 PolarHBondContact O-N 2.81Å; E226-E228 VanDerWaalsContact C-N 3.26Å; E226-E228 PolarHBondContact O-N 2.83Å; E228-I230 HydrophobicContact CB-CD1 4.17Å; E228-I230 HydrophobicContact CB-CG1 4.15Å; E228-I230 WeakPolarHBondContact O-CG1 3.25Å; E228-I230 PolarHBondContact O-N 2.79Å
229Q76.2Confident86.5Confident138 Ų13878.3 Ų78.365%0.64538%0.377SS*.  trans47.327.3176.9-61.6-164.2-18.500114.8E227 D231E227-Q229 PolarHBondContact O-N 3.38Å; Q229-D231 PolarHBondContact O-N 3.48Å
230I91.3Very high86.8Confident24 Ų2475.7 Ų75.712%0.12337%0.369CS..  trans-78.8118.3176-57.5172.9000107.8A194 K195 M198 I206 V208 F224 E228 F232A194-I230 HydrophobicContact CB-CD1 4.31Å; A194-I230 HydrophobicContact CB-CG2 4.29Å; K195-I230 HydrophobicContact CB-CD1 3.89Å; M198-I230 HydrophobicContact CG-CG1 4.06Å; I206-I230 HydrophobicContact CG2-CB 4.45Å; I206-I230 HydrophobicContact CG2-CG1 3.95Å; I206-I230 HydrophobicContact CG2-CG2 4.24Å; V208-I230 HydrophobicContact CB-CG2 4.49Å; V208-I230 HydrophobicContact CG2-CG2 3.69Å; F224-I230 HydrophobicContact CD1-CD1 4.11Å; F224-I230 HydrophobicContact CE1-CD1 4.49Å; E228-I230 HydrophobicContact CB-CD1 4.17Å; E228-I230 HydrophobicContact CB-CG1 4.15Å; E228-I230 WeakPolarHBondContact O-CG1 3.25Å; E228-I230 PolarHBondContact O-N 2.79Å; I230-F232 HydrophobicContact CB-CE2 4.28Å; I230-F232 HydrophobicContact CG2-CD2 4.06Å; I230-F232 HydrophobicContact CG2-CE2 3.61Å; I230-F232 HydrophobicContact CG2-CZ 4.22Å
231D93.5Very high87Confident77 Ų7776.7 Ų76.741%0.41238%0.384SS..EExtended strand (participates in β ladder)trans-85.7139.3173.8-171.827.9000110.2I206 T207 V208 Q229 Q233I206-D231 PolarHBondContact O-N 3.34Å; I206-D231 VanDerWaalsContact O-N 3.1Å; T207-D231 CarbonylContact C-O 3.25Å; T207-D231 VanDerWaalsContact CA-O 3.3Å; T207-D231 WeakPolarHBondContact CA-O 3.47Å; T207-D231 HydrophobicContact CG2-CB 4.36Å; V208-D231 PolarHBondContact N-O 3.25Å; Q229-D231 PolarHBondContact O-N 3.48Å; D231-Q233 WeakPolarHBondContact OD2-CG 3.26Å; D231-Q233 PolarHBondContact OD2-NE2 3.18Å
232F96Very high87.3Confident18 Ų1873 Ų738%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-117.6112.5178.5-84.5-94.1000109.8V208 V215 A218 K219 F224 I230V208-F232 HydrophobicContact CB-CD1 3.79Å; V208-F232 HydrophobicContact CB-CE1 3.68Å; V208-F232 HydrophobicContact CB-CG 4.34Å; V208-F232 HydrophobicContact CB-CZ 4.13Å; V208-F232 HydrophobicContact CG1-CD1 3.85Å; V208-F232 HydrophobicContact CG1-CE1 3.57Å; V208-F232 HydrophobicContact CG1-CZ 4.35Å; V208-F232 HydrophobicContact CG2-CE1 4.1Å; V208-F232 HydrophobicContact CG2-CZ 4.07Å; V208-F232 WeakPolarHBondContact O-CA 3.46Å; V215-F232 HydrophobicContact CG1-CB 4.04Å; V215-F232 HydrophobicContact CG1-CD1 4.46Å; A218-F232 HydrophobicContact CB-CD1 4.35Å; A218-F232 HydrophobicContact CB-CE1 3.87Å; K219-F232 PolarHBondContact NZ-O 3Å; F224-F232 HydrophobicContact CD1-CE2 4.14Å; F224-F232 HydrophobicContact CD1-CZ 4.42Å; F224-F232 HydrophobicContact CD2-CE2 4.01Å; F224-F232 HydrophobicContact CD2-CZ 4.42Å; F224-F232 AromaticContact CE1-CE2 3.8Å; F224-F232 HydrophobicContact CE1-CE2 3.8Å; F224-F232 AromaticContact CE1-CZ 3.63Å; F224-F232 HydrophobicContact CE1-CZ 3.63Å; F224-F232 AromaticContact CE2-CE2 3.68Å; F224-F232 HydrophobicContact CE2-CE2 3.68Å; F224-F232 AromaticContact CE2-CZ 3.65Å; F224-F232 HydrophobicContact CE2-CZ 3.65Å; F224-F232 HydrophobicContact CG-CE2 4.24Å; F224-F232 HydrophobicContact CZ-CE1 4.23Å; F224-F232 AromaticContact CZ-CE2 3.57Å; F224-F232 HydrophobicContact CZ-CE2 3.57Å; F224-F232 AromaticContact CZ-CZ 3.19Å; F224-F232 HydrophobicContact CZ-CZ 3.19Å; I230-F232 HydrophobicContact CB-CE2 4.28Å; I230-F232 HydrophobicContact CG2-CD2 4.06Å; I230-F232 HydrophobicContact CG2-CE2 3.61Å; I230-F232 HydrophobicContact CG2-CZ 4.22Å
233Q97.8Very high87.7Confident71 Ų7172.6 Ų72.633%0.33237%0.366SS..EExtended strand (participates in β ladder)trans-115.2142.1-178.9-67.2-17328.400111.5T207 V208 F209 D210 D231 P243T207-Q233 HydrophobicContact CG2-CB 3.97Å; T207-Q233 HydrophobicContact CG2-CG 3.72Å; V208-Q233 PolarHBondContact O-N 3.42Å; F209-Q233 WeakPolarHBondContact CA-O 3.27Å; F209-Q233 HydrophobicContact CD2-CB 3.91Å; D210-Q233 PolarHBondContact N-O 2.92Å; D231-Q233 WeakPolarHBondContact OD2-CG 3.26Å; D231-Q233 PolarHBondContact OD2-NE2 3.18Å; Q233-P243 HydrophobicContact CB-CG 4.49Å
234E98.1Very high88.5Confident108 Ų10873.3 Ų73.351%0.50536%0.357SS..EExtended strand (participates in β ladder)trans-99.2132.6-174.5-64.8172.9-157.800110.5D210 P212 V215 K219D210-E234 CarbonylContact O-C 3.26Å; D210-E234 WeakPolarHBondContact O-CA 3.1Å; P212-E234 HydrophobicContact CB-CB 4.49Å; P212-E234 HydrophobicContact CG-CB 4.29Å; V215-E234 HydrophobicContact CB-CG 3.66Å; V215-E234 HydrophobicContact CG1-CG 3.59Å; V215-E234 HydrophobicContact CG2-CG 3.89Å; K219-E234 IonicContact NZ-OE1 3.42Å
235G98.3Very high89.6Confident4 Ų470.5 Ų70.54%0.04135%0.345CS..  trans167163.6170.100000113.6F209 D210 I211F209-G235 WeakPolarHBondContact CE1-O 3.36Å; F209-G235 VanDerWaalsContact CZ-C 3.49Å; F209-G235 VanDerWaalsContact CZ-CA 3.42Å; D210-G235 CarbonylContact C-O 3.52Å; D210-G235 VanDerWaalsContact C-O 3.25Å; D210-G235 PolarHBondContact O-N 3.4Å; I211-G235 PolarHBondContact N-O 2.85Å
236D97.4Very high91Very high37 Ų3766.3 Ų66.320%0.19833%0.327CS..  trans-94.7112.4175171.6-6.7000109.4F238 K239 D240D236-F238 PolarHBondContact O-N 3.39Å; D236-F238 WeakPolarHBondContact OD1-CB 3.35Å; D236-F238 PolarHBondContact OD1-N 2.85Å; D236-K239 HydrophobicContact CB-CD 4.21Å; D236-K239 HydrophobicContact CB-CG 3.87Å; D236-K239 PolarHBondContact O-N 3.43Å; D236-K239 WeakPolarHBondContact OD2-CD 3.25Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 IonicContact OD2-NZ 2.73Å; D236-K239 PolarHBondContact OD2-NZ 3.36Å; D236-D240 PolarHBondContact N-OD2 3.45Å; D236-D240 WeakPolarHBondContact O-CB 3.19Å; D236-D240 PolarHBondContact O-N 2.93Å
237F97.5Very high92.8Very high20 Ų2057.3 Ų57.39%0.08829%0.285CS..THydrogen-bonded Turntrans-61.5-16.3-174.953-125.4000114.1L186 F209 L242 V253 W257 L265 R268L186-F237 HydrophobicContact CD2-CB 4.5Å; F209-F237 HydrophobicContact CD1-CB 4.3Å; F209-F237 HydrophobicContact CE1-CB 3.94Å; F237-L242 HydrophobicContact CB-CD2 3.69Å; F237-V253 HydrophobicContact CE1-CG1 4.2Å; F237-V253 HydrophobicContact CZ-CG1 3.91Å; F237-W257 HydrophobicContact CZ-CZ2 4.25Å; F237-L265 HydrophobicContact CB-CD1 3.95Å; F237-L265 HydrophobicContact CD2-CD1 3.63Å; F237-L265 HydrophobicContact CD2-CD2 3.87Å; F237-L265 HydrophobicContact CD2-CG 4.34Å; F237-L265 HydrophobicContact CE2-CD1 4.4Å; F237-L265 HydrophobicContact CE2-CD2 3.79Å; F237-L265 HydrophobicContact CG-CD1 4Å; F237-L265 HydrophobicContact CZ-CD2 4.39Å; F237-R268 PolarHBondContact O-NE 2.95Å
238F96.9Very high94.6Very high33 Ų3350.3 Ų50.315%0.14525%0.252CS..THydrogen-bonded Turntrans-80.2-20.5176.5-69.9-61.7000113.3D236 W257 K261 H264 L265 R268D236-F238 PolarHBondContact O-N 3.39Å; D236-F238 WeakPolarHBondContact OD1-CB 3.35Å; D236-F238 PolarHBondContact OD1-N 2.85Å; F238-W257 HydrophobicContact CE2-CD2 4.02Å; F238-W257 AromaticContact CE2-CE2 3.7Å; F238-W257 HydrophobicContact CE2-CE3 4.25Å; F238-W257 AromaticContact CE2-CH2 3.82Å; F238-W257 HydrophobicContact CE2-CH2 3.82Å; F238-W257 AromaticContact CE2-CZ2 3.59Å; F238-W257 HydrophobicContact CE2-CZ2 3.59Å; F238-W257 HydrophobicContact CE2-CZ3 4.16Å; F238-W257 AromaticContact CZ-CD2 3.7Å; F238-W257 HydrophobicContact CZ-CD2 3.7Å; F238-W257 AromaticContact CZ-CE2 3.66Å; F238-W257 HydrophobicContact CZ-CE3 4.19Å; F238-W257 AromaticContact CZ-CG 3.97Å; F238-W257 HydrophobicContact CZ-CG 3.97Å; F238-W257 HydrophobicContact CZ-CH2 4.48Å; F238-W257 HydrophobicContact CZ-CZ2 4.07Å; F238-W257 AromaticContact CZ-NE1 3.92Å; F238-K261 HydrophobicContact CE1-CB 3.91Å; F238-K261 HydrophobicContact CE1-CD 4.43Å; F238-K261 HydrophobicContact CE1-CG 4.42Å; F238-K261 HydrophobicContact CE2-CD 4.37Å; F238-K261 HydrophobicContact CZ-CB 4.01Å; F238-K261 HydrophobicContact CZ-CD 3.97Å; F238-K261 HydrophobicContact CZ-CG 4.41Å; F238-H264 AromaticContact CD1-CD2 3.92Å; F238-H264 PolarHBondContact O-NE2 3.42Å; F238-L265 HydrophobicContact CD1-CB 4.17Å; F238-L265 HydrophobicContact CE1-CB 3.87Å; F238-L265 HydrophobicContact CE1-CD2 4.47Å; F238-R268 WeakPolarHBondContact O-CD 3.37Å; F238-R268 PolarHBondContact O-NE 3.37Å
239K96.5Very high96.1Very high136 Ų13649.1 Ų49.159%0.59125%0.246SC*.THydrogen-bonded Turntrans-132.4-40.6-17470.1-171.3-173.9-124.10114.2D236 R268D236-K239 HydrophobicContact CB-CD 4.21Å; D236-K239 HydrophobicContact CB-CG 3.87Å; D236-K239 PolarHBondContact O-N 3.43Å; D236-K239 WeakPolarHBondContact OD2-CD 3.25Å; D236-K239 WeakPolarHBondContact OD2-CE 3.41Å; D236-K239 IonicContact OD2-NZ 2.73Å; D236-K239 PolarHBondContact OD2-NZ 3.36Å; K239-R268 PolarHBondContact O-NH2 3.26Å
240D98.2Very high97.2Very high59 Ų5942.6 Ų42.632%0.31622%0.216SC..SBendtrans-81.4151.9-174.8-61.8-41.8000111.6D236 L242 R268D236-D240 PolarHBondContact N-OD2 3.45Å; D236-D240 WeakPolarHBondContact O-CB 3.19Å; D236-D240 PolarHBondContact O-N 2.93Å; D240-L242 PolarHBondContact O-N 3.37Å; D240-R268 PolarHBondContact O-NH2 3.31Å
241P97.8Very high97.6Very high113 Ų11342 Ų4273%0.73421%0.214SC*.PPolyproline II helixtrans-55.7130.2177.6-23.934.3000111.6
242L98.4Very high97.8Very high14 Ų1439.4 Ų39.47%0.07320%0.199CC..PPolyproline II helixtrans-77.3142.7176.9-54.5-178.2000109.9L186 F209 F237 D240 Y248 R268 I269 T272L186-L242 HydrophobicContact CD1-CD1 4.41Å; L186-L242 HydrophobicContact CD2-CD2 4.09Å; F209-L242 HydrophobicContact CE1-CD2 4.13Å; F237-L242 HydrophobicContact CB-CD2 3.69Å; D240-L242 PolarHBondContact O-N 3.37Å; L242-Y248 HydrophobicContact CB-CE1 4.31Å; L242-R268 HydrophobicContact CD1-CB 4.33Å; L242-I269 HydrophobicContact CD1-CB 4.44Å; L242-I269 HydrophobicContact CD1-CG1 3.69Å; L242-T272 HydrophobicContact CB-CG2 4.22Å
243P97.4Very high97.9Very high12 Ų1238.9 Ų38.98%0.07820%0.197CC..PPolyproline II helixtrans-57.6146.8172.9-23.133.8000111.1T207 F209 Q233 A245 Y248T207-P243 HydrophobicContact CG2-CB 4.36Å; T207-P243 HydrophobicContact CG2-CG 4.2Å; F209-P243 HydrophobicContact CB-CG 4.07Å; F209-P243 VanDerWaalsContact CD2-CD 3.48Å; F209-P243 HydrophobicContact CD2-CG 3.43Å; F209-P243 VanDerWaalsContact CD2-CG 3.43Å; F209-P243 HydrophobicContact CE2-CG 4.06Å; F209-P243 HydrophobicContact CG-CG 3.92Å; Q233-P243 HydrophobicContact CB-CG 4.49Å; P243-A245 PolarHBondContact O-N 2.77Å; P243-Y248 VanDerWaalsContact O-CE1 3.3Å; P243-Y248 WeakPolarHBondContact O-CE1 3.26Å; P243-Y248 PolarHBondContact O-OH 3.37Å
244E95.9Very high97.9Very high127 Ų12735.5 Ų35.559%0.59318%0.181SC*.PPolyproline II helixtrans-65.9131173.7-68.9-166.6178.600110.5L182 K274L182-E244 WeakPolarHBondContact CD2-O 3.43Å; E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.44Å; E244-K274 IonicContact OE2-NZ 2.75Å; E244-K274 PolarHBondContact OE2-NZ 3.33Å
245A97.6Very high97.9Very high1 Ų130.9 Ų30.91%0.00816%0.16CC..  trans-149.3157.2173.100000111.8C184 P243 Y248C184-A245 HydrophobicContact CB-CB 3.62Å; P243-A245 PolarHBondContact O-N 2.77Å; A245-Y248 HydrophobicContact CB-CD1 4.39Å; A245-Y248 HydrophobicContact CB-CD2 4.47Å; A245-Y248 HydrophobicContact CB-CE1 4.02Å; A245-Y248 HydrophobicContact CB-CE2 4.11Å; A245-Y248 PolarHBondContact N-OH 3Å
246D97.7Very high97.8Very high40 Ų4031.4 Ų31.421%0.21416%0.161CC..SBendtrans-84.1-28168.9-53.9-45.7000110.7F180 P181 L182 G277 G278F180-D246 HydrophobicContact CB-CB 4.13Å; F180-D246 HydrophobicContact CD1-CB 4.11Å; F180-D246 WeakPolarHBondContact CD1-O 3.44Å; P181-D246 WeakPolarHBondContact CD-OD2 3.29Å; L182-D246 WeakPolarHBondContact CB-OD2 3.41Å; L182-D246 PolarHBondContact N-OD2 3.2Å; L182-D246 VanDerWaalsContact N-OD2 3.12Å; L182-D246 WeakPolarHBondContact O-CA 3.38Å; L182-D246 WeakPolarHBondContact O-CB 3.35Å; L182-D246 PolarHBondContact O-N 3.39Å; D246-G277 CarbonylContact O-C 3.33Å; D246-G277 WeakPolarHBondContact O-CA 3.5Å; D246-G278 PolarHBondContact O-N 2.96Å
247L98.7Very high97.8Very high0 Ų030.6 Ų30.60%016%0.156CC..EExtended strand (participates in β ladder)trans-133.5128174-177.369.4000111.1L177 F180 L182 M183 C184 I249 G278 L280 L342L177-L247 HydrophobicContact CD1-CD2 4.34Å; L177-L247 HydrophobicContact CD2-CD2 3.93Å; L177-L247 HydrophobicContact CG-CD2 4.49Å; F180-L247 HydrophobicContact CB-CB 3.66Å; F180-L247 HydrophobicContact CB-CD2 4.47Å; F180-L247 HydrophobicContact CD1-CB 3.94Å; F180-L247 HydrophobicContact CD2-CB 4.05Å; F180-L247 HydrophobicContact CD2-CD1 4.18Å; F180-L247 HydrophobicContact CD2-CD2 3.85Å; F180-L247 HydrophobicContact CD2-CG 4.26Å; F180-L247 HydrophobicContact CE1-CB 4.5Å; F180-L247 HydrophobicContact CE1-CD1 4.34Å; F180-L247 HydrophobicContact CE2-CD1 3.95Å; F180-L247 HydrophobicContact CE2-CD2 4.27Å; F180-L247 HydrophobicContact CG-CB 3.65Å; F180-L247 HydrophobicContact CG-CD1 4.46Å; F180-L247 HydrophobicContact CG-CD2 4.3Å; F180-L247 HydrophobicContact CG-CG 4.36Å; F180-L247 HydrophobicContact CZ-CD1 3.99Å; L182-L247 PolarHBondContact O-N 2.89Å; M183-L247 CarbonylContact C-O 3.52Å; M183-L247 VanDerWaalsContact CA-O 3.31Å; M183-L247 WeakPolarHBondContact CA-O 3.35Å; M183-L247 HydrophobicContact CG-CB 4.26Å; M183-L247 HydrophobicContact CG-CD2 4.43Å; M183-L247 HydrophobicContact SD-CD2 4.27Å; C184-L247 PolarHBondContact N-O 3.49Å; L247-I249 HydrophobicContact CD2-CD1 4.49Å; L247-I249 HydrophobicContact CD2-CG1 4.15Å; L247-I249 HydrophobicContact CG-CG1 4.3Å; L247-G278 WeakPolarHBondContact CA-O 3.36Å; L247-L280 HydrophobicContact CD1-CB 4.08Å; L247-L280 HydrophobicContact CD2-CB 4.29Å; L247-L280 HydrophobicContact CG-CB 4.39Å; L247-L342 HydrophobicContact CD1-CD1 3.88Å
248Y98.9Very high97.7Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-99.5128.6167.8-65.6-88.9000109.9C184 L186 L242 P243 A245 I269 T272 C273 G278 I279 L280C184-Y248 HydrophobicContact CB-CD1 3.77Å; C184-Y248 HydrophobicContact CB-CE1 3.93Å; C184-Y248 CarbonylContact O-C 3.49Å; C184-Y248 WeakPolarHBondContact O-CA 3.25Å; L186-Y248 HydrophobicContact CD1-CD1 3.72Å; L186-Y248 HydrophobicContact CD1-CG 4.33Å; L186-Y248 HydrophobicContact CD2-CD1 4.36Å; L186-Y248 HydrophobicContact CG-CD1 4.02Å; L242-Y248 HydrophobicContact CB-CE1 4.31Å; P243-Y248 VanDerWaalsContact O-CE1 3.3Å; P243-Y248 WeakPolarHBondContact O-CE1 3.26Å; P243-Y248 PolarHBondContact O-OH 3.37Å; A245-Y248 HydrophobicContact CB-CD1 4.39Å; A245-Y248 HydrophobicContact CB-CD2 4.47Å; A245-Y248 HydrophobicContact CB-CE1 4.02Å; A245-Y248 HydrophobicContact CB-CE2 4.11Å; A245-Y248 PolarHBondContact N-OH 3Å; Y248-I269 HydrophobicContact CD1-CG2 4.29Å; Y248-I269 HydrophobicContact CD2-CG2 3.43Å; Y248-I269 VanDerWaalsContact CD2-CG2 3.43Å; Y248-I269 HydrophobicContact CE2-CG2 4.11Å; Y248-I269 HydrophobicContact CG-CG2 3.52Å; Y248-T272 WeakPolarHBondContact OH-CG2 3.31Å; Y248-C273 HydrophobicContact CD2-CB 4.34Å; Y248-C273 HydrophobicContact CE2-CB 4Å; Y248-G278 PolarHBondContact N-O 3.05Å; Y248-I279 CarbonylContact O-C 3.52Å; Y248-I279 VanDerWaalsContact O-CA 3.24Å; Y248-I279 WeakPolarHBondContact O-CA 3.34Å; Y248-I279 WeakPolarHBondContact O-CG1 3.27Å; Y248-L280 PolarHBondContact O-N 3.23Å
249I98.9Very high97.7Very high0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-102.8130.1176.6-54.6174.7000107.5L172 M183 C184 L186 L193 I206 L247 A251 L280 I282L172-I249 HydrophobicContact CD2-CD1 4.45Å; M183-I249 HydrophobicContact SD-CD1 4.43Å; C184-I249 PolarHBondContact O-N 3.39Å; L186-I249 PolarHBondContact N-O 3.21Å; L193-I249 HydrophobicContact CD2-CG2 4.06Å; I206-I249 HydrophobicContact CD1-CD1 4.1Å; L247-I249 HydrophobicContact CD2-CD1 4.49Å; L247-I249 HydrophobicContact CD2-CG1 4.15Å; L247-I249 HydrophobicContact CG-CG1 4.3Å; I249-A251 HydrophobicContact CG2-CB 4.29Å; I249-L280 CarbonylContact C-O 3.53Å; I249-L280 WeakPolarHBondContact CA-O 3.19Å; I249-L280 HydrophobicContact CD1-CD2 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.26Å; I249-L280 HydrophobicContact CG1-CD2 4.24Å; I249-L280 HydrophobicContact CG2-CD2 4.35Å; I249-I282 HydrophobicContact CG2-CD1 4.06Å
250L98.9Very high97.7Very high0 Ų029.4 Ų29.40%018%0.178CC..EExtended strand (participates in β ladder)trans-122.995.3171.5-71178.5000107.8L186 V253 L254 L265 L266 I269 I279 L280 V281 I282L186-L250 HydrophobicContact CB-CD2 3.63Å; L186-L250 HydrophobicContact CD1-CD2 4.02Å; L186-L250 HydrophobicContact CG-CD2 4.45Å; L250-V253 HydrophobicContact CB-CB 4.32Å; L250-V253 HydrophobicContact CD2-CB 4.08Å; L250-V253 HydrophobicContact CD2-CG1 3.97Å; L250-V253 HydrophobicContact CD2-CG2 4.28Å; L250-L254 HydrophobicContact CD1-CD1 4.2Å; L250-L254 HydrophobicContact CD1-CD2 3.78Å; L250-L254 HydrophobicContact CD1-CG 3.92Å; L250-L265 HydrophobicContact CD1-CD2 4.31Å; L250-L265 HydrophobicContact CD2-CD2 4.08Å; L250-L266 HydrophobicContact CD1-CD2 4.07Å; L250-I269 HydrophobicContact CD1-CD1 3.78Å; L250-I269 HydrophobicContact CD2-CD1 4.34Å; L250-I269 HydrophobicContact CG-CD1 4.23Å; L250-I279 HydrophobicContact CD1-CD1 3.67Å; L250-I279 HydrophobicContact CD1-CG1 4.49Å; L250-I279 HydrophobicContact CG-CD1 4.29Å; L250-L280 PolarHBondContact N-O 2.91Å; L250-V281 HydrophobicContact CB-CG2 4.43Å; L250-V281 WeakPolarHBondContact O-CA 3.48Å; L250-I282 PolarHBondContact O-N 3.43Å
251A98.7Very high97.7Very high11 Ų1130.2 Ų30.29%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-106.6109.5-17700000110.8W164 L193 I249 I282W164-A251 HydrophobicContact CH2-CB 3.71Å; W164-A251 HydrophobicContact CZ2-CB 3.58Å; L193-A251 HydrophobicContact CD2-CB 3.36Å; I249-A251 HydrophobicContact CG2-CB 4.29Å; A251-I282 HydrophobicContact CB-CB 3.99Å; A251-I282 HydrophobicContact CB-CD1 4.1Å
252R97.7Very high97.7Very high23 Ų2324.8 Ų24.89%0.08714%0.143CC..SBendtrans56.551.5-174.7-52.6-59.4-68.6163.1-12.4111.6W164 H255 I282 E283 S284 E311 Y338W164-R252 HydrophobicContact CH2-CG 3.77Å; W164-R252 HydrophobicContact CZ2-CG 3.95Å; R252-H255 PolarHBondContact NE-CE1 3.39Å; R252-H255 PolarHBondContact NH1-ND1 3.48Å; R252-H255 PolarHBondContact NH2-CE1 3.11Å; R252-H255 PolarHBondContact NH2-ND1 2.73Å; R252-H255 PolarHBondContact O-CD2 3.06Å; R252-H255 PolarHBondContact O-NE2 3.23Å; R252-I282 PolarHBondContact N-O 3.26Å; R252-E283 WeakPolarHBondContact CD-OE2 3.1Å; R252-E283 IonicContact CZ-OE2 2.76Å; R252-E283 IonicContact NE-OE2 3.18Å; R252-E283 IonicContact NH1-OE2 3.39Å; R252-E283 PolarHBondContact NH1-OE2 3.45Å; R252-S284 VanDerWaalsContact NH1-N 3.14Å; R252-E311 IonicContact CZ-OE1 3.99Å; R252-E311 IonicContact CZ-OE2 2.66Å; R252-E311 IonicContact NH1-OE1 3.86Å; R252-E311 PolarHBondContact NH1-OE1 3.24Å; R252-E311 VanDerWaalsContact NH1-OE1 3.12Å; R252-E311 IonicContact NH1-OE2 3.2Å; R252-E311 PolarHBondContact NH1-OE2 3.49Å; R252-E311 IonicContact NH2-OE1 2.91Å; R252-E311 PolarHBondContact NH2-OE1 3.25Å; R252-E311 IonicContact NH2-OE2 2.8Å; R252-Y338 VanDerWaalsContact CD-CE1 3.48Å; R252-Y338 HydrophobicContact CG-CE1 4.37Å; R252-Y338 VanDerWaalsContact NE-CE1 3.33Å
253V98.3Very high97.7Very high7 Ų725.6 Ų25.64%0.04215%0.15CC..  trans-121.1-49.6-179.6178.30000110.5L186 F237 L250 H255 D256 W257 L265 E283L186-V253 WeakPolarHBondContact O-CG2 3.42Å; F237-V253 HydrophobicContact CE1-CG1 4.2Å; F237-V253 HydrophobicContact CZ-CG1 3.91Å; L250-V253 HydrophobicContact CB-CB 4.32Å; L250-V253 HydrophobicContact CD2-CB 4.08Å; L250-V253 HydrophobicContact CD2-CG1 3.97Å; L250-V253 HydrophobicContact CD2-CG2 4.28Å; V253-H255 PolarHBondContact O-N 2.68Å; V253-D256 WeakPolarHBondContact O-CB 3.39Å; V253-D256 PolarHBondContact O-N 3.27Å; V253-D256 VanDerWaalsContact O-N 3.15Å; V253-W257 PolarHBondContact O-NE1 3.41Å; V253-L265 HydrophobicContact CG1-CD2 4.28Å; V253-E283 PolarHBondContact N-OE1 3.26Å
254L98.6Very high97.8Very high0 Ų029 Ų290%017%0.165CC..G310 helixtrans-67.8-26.4-175.3-65.3-176.4000111.8L250 D256 W257 C262 L265 L266 V281 E283 R312 Y317L250-L254 HydrophobicContact CD1-CD1 4.2Å; L250-L254 HydrophobicContact CD1-CD2 3.78Å; L250-L254 HydrophobicContact CD1-CG 3.92Å; L254-D256 PolarHBondContact O-N 3.17Å; L254-W257 PolarHBondContact O-N 2.73Å; L254-C262 HydrophobicContact CD2-CB 4.16Å; L254-C262 PolarHBondContact O-SG 2.91Å; L254-L265 HydrophobicContact CD2-CD2 4.32Å; L254-L266 HydrophobicContact CD1-CD1 4.42Å; L254-L266 HydrophobicContact CD1-CD2 4.25Å; L254-L266 HydrophobicContact CD2-CD2 4.47Å; L254-L266 HydrophobicContact CD2-CG 4.49Å; L254-V281 HydrophobicContact CD1-CG1 3.9Å; L254-V281 HydrophobicContact CD1-CG2 3.87Å; L254-E283 PolarHBondContact N-OE1 3.05Å; L254-R312 PolarHBondContact O-NH1 2.85Å; L254-Y317 HydrophobicContact CB-CE1 4.03Å; L254-Y317 HydrophobicContact CD1-CD1 4.15Å; L254-Y317 HydrophobicContact CD1-CE1 4.03Å
255H97.5Very high97.9Very high11 Ų1122.9 Ų22.95%0.05114%0.136CC..G310 helixtrans-69.5-16.1176.881138.5000114.6R252 V253 W257 E283 M303 G309 Q310 E311R252-H255 PolarHBondContact NE-CE1 3.39Å; R252-H255 PolarHBondContact NH1-ND1 3.48Å; R252-H255 PolarHBondContact NH2-CE1 3.11Å; R252-H255 PolarHBondContact NH2-ND1 2.73Å; R252-H255 PolarHBondContact O-CD2 3.06Å; R252-H255 PolarHBondContact O-NE2 3.23Å; V253-H255 PolarHBondContact O-N 2.68Å; H255-W257 VanDerWaalsContact C-N 3.33Å; H255-E283 WeakPolarHBondContact CB-OE2 3.36Å; H255-E283 IonicContact CD2-OE1 3.1Å; H255-E283 IonicContact CD2-OE2 2.93Å; H255-E283 IonicContact CG-OE2 3.84Å; H255-E283 PolarHBondContact N-OE1 3.42Å; H255-E283 VanDerWaalsContact N-OE1 3.15Å; H255-M303 PolarHBondContact CE1-SD 3.35Å; H255-M303 PolarHBondContact ND1-SD 3.01Å; H255-G309 CarbonylContact O-C 3.55Å; H255-G309 WeakPolarHBondContact O-CA 3.49Å; H255-Q310 WeakPolarHBondContact CA-O 3.18Å; H255-Q310 PolarHBondContact O-N 2.96Å; H255-E311 IonicContact CE1-OE1 2.8Å; H255-E311 IonicContact CG-OE1 3.52Å; H255-E311 IonicContact ND1-OE1 3.6Å; H255-E311 PolarHBondContact ND1-OE1 2.9Å
256D96.4Very high98Very high15 Ų1522.9 Ų22.98%0.0814%0.136CC..G310 helixtrans-77.7-22.2177.6-71.8-35.2000112.8L142 V253 L254 T307 E308 G309L142-D256 HydrophobicContact CD2-CB 3.96Å; V253-D256 WeakPolarHBondContact O-CB 3.39Å; V253-D256 PolarHBondContact O-N 3.27Å; V253-D256 VanDerWaalsContact O-N 3.15Å; L254-D256 PolarHBondContact O-N 3.17Å; D256-T307 PolarHBondContact O-OG1 2.61Å; D256-E308 VanDerWaalsContact O-CG 3.28Å; D256-E308 WeakPolarHBondContact O-CG 3.43Å; D256-E308 PolarHBondContact O-N 3.26Å; D256-G309 PolarHBondContact O-N 2.74Å; D256-G309 VanDerWaalsContact O-N 3.16Å
257W96.9Very high98Very high21 Ų2125.1 Ų25.18%0.0815%0.145CC..SBendtrans-115.2151.3-164.2-51.4110.9000113L142 F143 F237 F238 V253 L254 H255 K261 E308 G309 R312L142-W257 HydrophobicContact CB-CH2 4.42Å; L142-W257 HydrophobicContact CB-CZ3 4.08Å; L142-W257 HydrophobicContact CD2-CE3 4.18Å; L142-W257 HydrophobicContact CD2-CH2 4.19Å; L142-W257 HydrophobicContact CD2-CZ3 3.89Å; F143-W257 AromaticContact CD2-CH2 3.66Å; F143-W257 HydrophobicContact CD2-CH2 3.66Å; F143-W257 AromaticContact CD2-CZ2 3.85Å; F143-W257 HydrophobicContact CD2-CZ2 3.85Å; F143-W257 AromaticContact CE2-CH2 3.74Å; F143-W257 HydrophobicContact CE2-CH2 3.74Å; F143-W257 AromaticContact CE2-CZ2 3.48Å; F143-W257 HydrophobicContact CE2-CZ2 3.48Å; F143-W257 VanDerWaalsContact CE2-CZ2 3.48Å; F237-W257 HydrophobicContact CZ-CZ2 4.25Å; F238-W257 HydrophobicContact CE2-CD2 4.02Å; F238-W257 AromaticContact CE2-CE2 3.7Å; F238-W257 HydrophobicContact CE2-CE3 4.25Å; F238-W257 AromaticContact CE2-CH2 3.82Å; F238-W257 HydrophobicContact CE2-CH2 3.82Å; F238-W257 AromaticContact CE2-CZ2 3.59Å; F238-W257 HydrophobicContact CE2-CZ2 3.59Å; F238-W257 HydrophobicContact CE2-CZ3 4.16Å; F238-W257 AromaticContact CZ-CD2 3.7Å; F238-W257 HydrophobicContact CZ-CD2 3.7Å; F238-W257 AromaticContact CZ-CE2 3.66Å; F238-W257 HydrophobicContact CZ-CE3 4.19Å; F238-W257 AromaticContact CZ-CG 3.97Å; F238-W257 HydrophobicContact CZ-CG 3.97Å; F238-W257 HydrophobicContact CZ-CH2 4.48Å; F238-W257 HydrophobicContact CZ-CZ2 4.07Å; F238-W257 AromaticContact CZ-NE1 3.92Å; V253-W257 PolarHBondContact O-NE1 3.41Å; L254-W257 PolarHBondContact O-N 2.73Å; H255-W257 VanDerWaalsContact C-N 3.33Å; W257-K261 HydrophobicContact CB-CB 3.97Å; W257-K261 HydrophobicContact CD2-CD 4.34Å; W257-K261 HydrophobicContact CE3-CD 3.72Å; W257-K261 HydrophobicContact CZ3-CD 4.25Å; W257-E308 HydrophobicContact CE3-CG 4.29Å; W257-G309 WeakPolarHBondContact O-CA 3.21Å; W257-R312 PolarHBondContact O-NH2 2.92Å
258A95.7Very high98Very high43 Ų4327.9 Ų27.936%0.35516%0.156SC..  trans-67.2154.9169.100000111.3G260 K261 C262 E308A258-G260 PolarHBondContact O-N 3.41Å; A258-K261 PolarHBondContact O-N 3.06Å; A258-C262 PolarHBondContact O-N 3.36Å; A258-E308 PolarHBondContact N-OE1 2.85Å
259D97.3Very high98Very high62 Ų6227.9 Ų27.933%0.33216%0.156SC..Hα-helixtrans-52.1-35.8-175-78.67.2000113.7C262 S263 R312 H316 L320D259-C262 WeakPolarHBondContact O-CB 3.33Å; D259-C262 PolarHBondContact O-N 3.35Å; D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 2.84Å; D259-S263 VanDerWaalsContact O-OG 3.11Å; D259-R312 IonicContact OD1-CZ 3.79Å; D259-R312 VanDerWaalsContact OD1-CZ 3.25Å; D259-R312 IonicContact OD1-NE 3.85Å; D259-R312 PolarHBondContact OD1-NE 3.05Å; D259-R312 IonicContact OD1-NH2 2.81Å; D259-R312 PolarHBondContact OD1-NH2 2.96Å; D259-H316 IonicContact OD1-CE1 2.7Å; D259-H316 IonicContact OD1-NE2 3.52Å; D259-H316 PolarHBondContact OD1-NE2 3.49Å; D259-H316 IonicContact OD2-CE1 2.66Å; D259-H316 PolarHBondContact OD2-CE1 2.77Å; D259-H316 IonicContact OD2-NE2 3.75Å; D259-H316 PolarHBondContact OD2-NE2 2.93Å; D259-L320 HydrophobicContact CB-CD2 4.33Å
260G97.5Very high97.9Very high58 Ų5830.4 Ų30.460%0.59817%0.165SC*.Hα-helixtrans-63-42.8177.500000113.6A258 H264A258-G260 PolarHBondContact O-N 3.41Å; G260-H264 PolarHBondContact O-N 3.3Å; G260-H264 VanDerWaalsContact O-N 3.09Å
261K97Very high97.8Very high76 Ų7637.2 Ų37.233%0.3320%0.197SC..Hα-helixtrans-71.3-38.4175.5-78.2-167.5-165.91510111.3F238 W257 A258 S263 H264 L265 E308F238-K261 HydrophobicContact CE1-CB 3.91Å; F238-K261 HydrophobicContact CE1-CD 4.43Å; F238-K261 HydrophobicContact CE1-CG 4.42Å; F238-K261 HydrophobicContact CE2-CD 4.37Å; F238-K261 HydrophobicContact CZ-CB 4.01Å; F238-K261 HydrophobicContact CZ-CD 3.97Å; F238-K261 HydrophobicContact CZ-CG 4.41Å; W257-K261 HydrophobicContact CB-CB 3.97Å; W257-K261 HydrophobicContact CD2-CD 4.34Å; W257-K261 HydrophobicContact CE3-CD 3.72Å; W257-K261 HydrophobicContact CZ3-CD 4.25Å; A258-K261 PolarHBondContact O-N 3.06Å; K261-S263 PolarHBondContact O-N 3.45Å; K261-H264 PolarHBondContact O-N 2.69Å; K261-L265 PolarHBondContact O-N 3.29Å; K261-E308 VanDerWaalsContact CD-OE1 3.28Å; K261-E308 WeakPolarHBondContact CD-OE1 3.31Å; K261-E308 WeakPolarHBondContact CE-OE1 3.46Å; K261-E308 IonicContact NZ-OE1 2.88Å; K261-E308 PolarHBondContact NZ-OE1 2.85Å; K261-E308 IonicContact NZ-OE2 3.89Å; K261-E308 PolarHBondContact NZ-OE2 3.35Å
262C98.6Very high97.7Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-56-51.3172.3-66.20000111.1L254 A258 D259 H264 L265 L266 L320L254-C262 HydrophobicContact CD2-CB 4.16Å; L254-C262 PolarHBondContact O-SG 2.91Å; A258-C262 PolarHBondContact O-N 3.36Å; D259-C262 WeakPolarHBondContact O-CB 3.33Å; D259-C262 PolarHBondContact O-N 3.35Å; C262-H264 PolarHBondContact O-N 2.88Å; C262-L265 PolarHBondContact O-N 3.1Å; C262-L266 WeakPolarHBondContact O-CB 3.1Å; C262-L266 WeakPolarHBondContact O-CG 3.26Å; C262-L266 PolarHBondContact O-N 3.1Å; C262-L320 HydrophobicContact CB-CD1 4.25Å
263S98.5Very high97.6Very high30 Ų3038.1 Ų38.121%0.2120%0.204CC..Hα-helixtrans-58.9-46.1178.3-64.10000112.1D259 K261 L265 L266 E267D259-S263 PolarHBondContact O-N 3.07Å; D259-S263 PolarHBondContact O-OG 2.84Å; D259-S263 VanDerWaalsContact O-OG 3.11Å; K261-S263 PolarHBondContact O-N 3.45Å; S263-L265 PolarHBondContact O-N 3.47Å; S263-L266 PolarHBondContact O-N 3.44Å; S263-E267 WeakPolarHBondContact O-CB 3.23Å; S263-E267 WeakPolarHBondContact O-CG 3.37Å; S263-E267 PolarHBondContact O-N 2.99Å
264H98.4Very high97.3Very high83 Ų8341.5 Ų41.538%0.38422%0.218SC..Hα-helixtrans-58.6-46.2177.1176.563.7000112.5F238 G260 K261 C262 E267 R268F238-H264 AromaticContact CD1-CD2 3.92Å; F238-H264 PolarHBondContact O-NE2 3.42Å; G260-H264 PolarHBondContact O-N 3.3Å; G260-H264 VanDerWaalsContact O-N 3.09Å; K261-H264 PolarHBondContact O-N 2.69Å; C262-H264 PolarHBondContact O-N 2.88Å; H264-E267 PolarHBondContact O-N 3.48Å; H264-R268 WeakPolarHBondContact O-CG 3.21Å; H264-R268 PolarHBondContact O-N 3.21Å; H264-R268 VanDerWaalsContact O-N 3.13Å
265L98.6Very high97Very high0 Ų047.3 Ų47.30%026%0.256CS..Hα-helixtrans-62.8-46176.4177.356.5000111.6F237 F238 L250 V253 L254 K261 C262 S263 E267 R268 I269F237-L265 HydrophobicContact CB-CD1 3.95Å; F237-L265 HydrophobicContact CD2-CD1 3.63Å; F237-L265 HydrophobicContact CD2-CD2 3.87Å; F237-L265 HydrophobicContact CD2-CG 4.34Å; F237-L265 HydrophobicContact CE2-CD1 4.4Å; F237-L265 HydrophobicContact CE2-CD2 3.79Å; F237-L265 HydrophobicContact CG-CD1 4Å; F237-L265 HydrophobicContact CZ-CD2 4.39Å; F238-L265 HydrophobicContact CD1-CB 4.17Å; F238-L265 HydrophobicContact CE1-CB 3.87Å; F238-L265 HydrophobicContact CE1-CD2 4.47Å; L250-L265 HydrophobicContact CD1-CD2 4.31Å; L250-L265 HydrophobicContact CD2-CD2 4.08Å; V253-L265 HydrophobicContact CG1-CD2 4.28Å; L254-L265 HydrophobicContact CD2-CD2 4.32Å; K261-L265 PolarHBondContact O-N 3.29Å; C262-L265 PolarHBondContact O-N 3.1Å; S263-L265 PolarHBondContact O-N 3.47Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.35Å; L265-R268 WeakPolarHBondContact O-CB 3.27Å; L265-R268 PolarHBondContact O-N 3.19Å; L265-I269 HydrophobicContact CD1-CD1 4.01Å; L265-I269 HydrophobicContact CD1-CG1 4.2Å; L265-I269 HydrophobicContact CG-CD1 3.93Å; L265-I269 VanDerWaalsContact O-CG1 3.3Å; L265-I269 WeakPolarHBondContact O-CG1 3.48Å; L265-I269 PolarHBondContact O-N 2.98Å
266L98.8Very high96.8Very high0 Ų048.9 Ų48.90%028%0.275CS..Hα-helixtrans-63.3-38.6-179.8-68.4175.2000112.3L250 L254 C262 S263 I269 Y270 I279 L320 L321 A324L250-L266 HydrophobicContact CD1-CD2 4.07Å; L254-L266 HydrophobicContact CD1-CD1 4.42Å; L254-L266 HydrophobicContact CD1-CD2 4.25Å; L254-L266 HydrophobicContact CD2-CD2 4.47Å; L254-L266 HydrophobicContact CD2-CG 4.49Å; C262-L266 WeakPolarHBondContact O-CB 3.1Å; C262-L266 WeakPolarHBondContact O-CG 3.26Å; C262-L266 PolarHBondContact O-N 3.1Å; S263-L266 PolarHBondContact O-N 3.44Å; L266-I269 PolarHBondContact O-N 3.15Å; L266-Y270 WeakPolarHBondContact O-CB 3.34Å; L266-Y270 PolarHBondContact O-N 2.98Å; L266-I279 HydrophobicContact CD2-CD1 3.38Å; L266-L320 HydrophobicContact CD1-CB 3.78Å; L266-L321 HydrophobicContact CD1-CD2 4.15Å; L266-L321 HydrophobicContact CD1-CG 4.37Å; L266-L321 HydrophobicContact CD2-CD2 3.74Å; L266-A324 HydrophobicContact CB-CB 3.65Å
267E98.5Very high96.9Very high87 Ų8748.3 Ų48.341%0.40727%0.273SS..Hα-helixtrans-62.3-43.8173.7-76.2174.1-168.200111.6S263 H264 L265 I269 Y270 H271 A324S263-E267 WeakPolarHBondContact O-CB 3.23Å; S263-E267 WeakPolarHBondContact O-CG 3.37Å; S263-E267 PolarHBondContact O-N 2.99Å; H264-E267 PolarHBondContact O-N 3.48Å; L265-E267 VanDerWaalsContact C-N 3.34Å; L265-E267 PolarHBondContact O-N 3.35Å; E267-I269 VanDerWaalsContact C-N 3.35Å; E267-I269 PolarHBondContact O-N 2.86Å; E267-Y270 PolarHBondContact O-N 3.44Å; E267-H271 PolarHBondContact O-CD2 3.41Å; E267-H271 PolarHBondContact O-N 2.93Å; E267-A324 HydrophobicContact CG-CB 4.07Å
268R98.2Very high97Very high59 Ų5947.3 Ų47.322%0.22327%0.269CS..Hα-helixtrans-60.2-44.7175.4-70.1176.466.477.30.2112F237 F238 K239 D240 L242 H264 L265 H271 T272F237-R268 PolarHBondContact O-NE 2.95Å; F238-R268 WeakPolarHBondContact O-CD 3.37Å; F238-R268 PolarHBondContact O-NE 3.37Å; K239-R268 PolarHBondContact O-NH2 3.26Å; D240-R268 PolarHBondContact O-NH2 3.31Å; L242-R268 HydrophobicContact CD1-CB 4.33Å; H264-R268 WeakPolarHBondContact O-CG 3.21Å; H264-R268 PolarHBondContact O-N 3.21Å; H264-R268 VanDerWaalsContact O-N 3.13Å; L265-R268 WeakPolarHBondContact O-CB 3.27Å; L265-R268 PolarHBondContact O-N 3.19Å; R268-H271 PolarHBondContact O-N 3.43Å; R268-T272 PolarHBondContact O-N 3.45Å; R268-T272 VanDerWaalsContact O-N 3.07Å; R268-T272 PolarHBondContact O-OG1 3.26Å
269I98.6Very high97.1Very high0 Ų045.2 Ų45.20%025%0.252CS..Hα-helixtrans-63.5-46.2176.8-62.3167.4000109.6L186 L242 Y248 L250 L265 L266 E267 H271 T272 C273 I279 F326L186-I269 HydrophobicContact CD1-CD1 3.54Å; L186-I269 HydrophobicContact CD1-CG1 3.76Å; L242-I269 HydrophobicContact CD1-CB 4.44Å; L242-I269 HydrophobicContact CD1-CG1 3.69Å; Y248-I269 HydrophobicContact CD1-CG2 4.29Å; Y248-I269 HydrophobicContact CD2-CG2 3.43Å; Y248-I269 VanDerWaalsContact CD2-CG2 3.43Å; Y248-I269 HydrophobicContact CE2-CG2 4.11Å; Y248-I269 HydrophobicContact CG-CG2 3.52Å; L250-I269 HydrophobicContact CD1-CD1 3.78Å; L250-I269 HydrophobicContact CD2-CD1 4.34Å; L250-I269 HydrophobicContact CG-CD1 4.23Å; L265-I269 HydrophobicContact CD1-CD1 4.01Å; L265-I269 HydrophobicContact CD1-CG1 4.2Å; L265-I269 HydrophobicContact CG-CD1 3.93Å; L265-I269 VanDerWaalsContact O-CG1 3.3Å; L265-I269 WeakPolarHBondContact O-CG1 3.48Å; L265-I269 PolarHBondContact O-N 2.98Å; L266-I269 PolarHBondContact O-N 3.15Å; E267-I269 VanDerWaalsContact C-N 3.35Å; E267-I269 PolarHBondContact O-N 2.86Å; I269-H271 VanDerWaalsContact C-N 3.29Å; I269-H271 PolarHBondContact O-N 3.29Å; I269-T272 PolarHBondContact O-N 3.11Å; I269-T272 VanDerWaalsContact O-N 3.17Å; I269-C273 WeakPolarHBondContact O-CB 3.43Å; I269-C273 PolarHBondContact O-N 3.01Å; I269-I279 HydrophobicContact CD1-CD1 3.84Å; I269-I279 HydrophobicContact CG2-CD1 4.24Å; I269-F326 HydrophobicContact CB-CZ 4.38Å; I269-F326 HydrophobicContact CG2-CZ 3.92Å
270Y98.3Very high97.2Very high52 Ų5242.3 Ų42.320%0.20424%0.236CC..Hα-helixtrans-57.1-42.2178-177.5-98.2000112.1L266 E267 A324 G325 F326 K345L266-Y270 WeakPolarHBondContact O-CB 3.34Å; L266-Y270 PolarHBondContact O-N 2.98Å; E267-Y270 PolarHBondContact O-N 3.44Å; Y270-A324 WeakPolarHBondContact CB-O 3.39Å; Y270-A324 VanDerWaalsContact CD1-O 3.26Å; Y270-A324 WeakPolarHBondContact CD1-O 3.26Å; Y270-G325 WeakPolarHBondContact CE2-O 3.19Å; Y270-F326 HydrophobicContact CD2-CD1 4.06Å; Y270-F326 HydrophobicContact CD2-CD2 4.09Å; Y270-F326 HydrophobicContact CD2-CE1 4.13Å; Y270-F326 HydrophobicContact CD2-CE2 4.17Å; Y270-F326 HydrophobicContact CD2-CG 4.03Å; Y270-F326 HydrophobicContact CD2-CZ 4.18Å; Y270-F326 HydrophobicContact CG-CE2 4.47Å; Y270-K345 HydrophobicContact CD2-CD 4.3Å; Y270-K345 HydrophobicContact CD2-CG 4.2Å; Y270-K345 HydrophobicContact CE2-CB 4.19Å; Y270-K345 HydrophobicContact CE2-CD 4.05Å; Y270-K345 HydrophobicContact CE2-CG 3.6Å; Y270-K345 WeakPolarHBondContact O-CE 3.48Å; Y270-K345 PolarHBondContact O-NZ 3.42Å
271H96.5Very high97.3Very high143 Ų14339.6 Ų39.666%0.66221%0.208SC*.Hα-helixtrans-68.6-35178.3-75-53.4000113.7E267 R268 I269E267-H271 PolarHBondContact O-CD2 3.41Å; E267-H271 PolarHBondContact O-N 2.93Å; R268-H271 PolarHBondContact O-N 3.43Å; I269-H271 VanDerWaalsContact C-N 3.29Å; I269-H271 PolarHBondContact O-N 3.29Å
272T96.5Very high97.3Very high51 Ų5136 Ų3631%0.31319%0.192SC..Hα-helixtrans-80.3-32.9179.1-46.30000112.1L242 Y248 R268 I269 K274L242-T272 HydrophobicContact CB-CG2 4.22Å; Y248-T272 WeakPolarHBondContact OH-CG2 3.31Å; R268-T272 PolarHBondContact O-N 3.45Å; R268-T272 VanDerWaalsContact O-N 3.07Å; R268-T272 PolarHBondContact O-OG1 3.26Å; I269-T272 PolarHBondContact O-N 3.11Å; I269-T272 VanDerWaalsContact O-N 3.17Å; T272-K274 PolarHBondContact O-N 3.18Å
273C94.1Very high97.3Very high2 Ų236 Ų361%0.01419%0.192CC..SBendtrans-61.2133.4-177.4-174.30000112Y248 I269 G277 G278 K345Y248-C273 HydrophobicContact CD2-CB 4.34Å; Y248-C273 HydrophobicContact CE2-CB 4Å; I269-C273 WeakPolarHBondContact O-CB 3.43Å; I269-C273 PolarHBondContact O-N 3.01Å; C273-G277 VanDerWaalsContact SG-C 3.51Å; C273-G277 VanDerWaalsContact SG-CA 3.56Å; C273-G278 PolarHBondContact SG-N 3.34Å; C273-G278 VanDerWaalsContact SG-N 3.41Å; C273-K345 HydrophobicContact CB-CD 4.18Å; C273-K345 WeakPolarHBondContact O-CD 3.31Å; C273-K345 WeakPolarHBondContact O-CE 3.49Å; C273-K345 PolarHBondContact O-NZ 3.23Å
274K92.1Very high97.3Very high79 Ų7934.6 Ų34.634%0.34318%0.183SC..PPolyproline II helixtrans-71.5153.2178.2-67.1175.8-177.7170.10110.5E244 T272 G276 G277E244-K274 VanDerWaalsContact OE2-CE 3.31Å; E244-K274 WeakPolarHBondContact OE2-CE 3.44Å; E244-K274 IonicContact OE2-NZ 2.75Å; E244-K274 PolarHBondContact OE2-NZ 3.33Å; T272-K274 PolarHBondContact O-N 3.18Å; K274-G276 PolarHBondContact O-N 2.9Å; K274-G277 WeakPolarHBondContact O-CA 3.29Å; K274-G277 PolarHBondContact O-N 3.43Å
275P93.5Very high97.3Very high121 Ų12130.7 Ų30.779%0.78617%0.165SC*.THydrogen-bonded Turntrans-53.7133.2170-24.934.7000111.1G277P275-G277 PolarHBondContact O-N 2.89Å
276G93.6Very high97.3Very high45 Ų4531.3 Ų31.346%0.46417%0.168SC..THydrogen-bonded Turntrans79.1-2.4-172.400000114.2K274 R344K274-G276 PolarHBondContact O-N 2.9Å; G276-R344 PolarHBondContact O-NE 3.01Å; G276-R344 PolarHBondContact O-NH2 3.44Å
277G97.9Very high97.2Very high2 Ų234.2 Ų34.22%0.02118%0.183CC..  trans-75.9-173.7168.700000112.6D246 C273 K274 P275 R344 K345D246-G277 CarbonylContact O-C 3.33Å; D246-G277 WeakPolarHBondContact O-CA 3.5Å; C273-G277 VanDerWaalsContact SG-C 3.51Å; C273-G277 VanDerWaalsContact SG-CA 3.56Å; K274-G277 WeakPolarHBondContact O-CA 3.29Å; K274-G277 PolarHBondContact O-N 3.43Å; P275-G277 PolarHBondContact O-N 2.89Å; G277-R344 WeakPolarHBondContact O-CA 3.15Å; G277-R344 PolarHBondContact O-NE 3.44Å; G277-K345 PolarHBondContact O-N 3.31Å
278G98.2Very high97.2Very high0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-162.7-173.2179.300000114.7D246 L247 Y248 C273 A343D246-G278 PolarHBondContact O-N 2.96Å; L247-G278 WeakPolarHBondContact CA-O 3.36Å; Y248-G278 PolarHBondContact N-O 3.05Å; C273-G278 PolarHBondContact SG-N 3.34Å; C273-G278 VanDerWaalsContact SG-N 3.41Å; G278-A343 CarbonylContact C-O 3.52Å; G278-A343 WeakPolarHBondContact CA-O 3.31Å
279I98.8Very high97.1Very high0 Ų035.7 Ų35.70%020%0.196CC..EExtended strand (participates in β ladder)trans-134.4132.2175.9-169.7175.3000110Y248 L250 L266 I269 V281 L321 F326 L342 A343Y248-I279 CarbonylContact O-C 3.52Å; Y248-I279 VanDerWaalsContact O-CA 3.24Å; Y248-I279 WeakPolarHBondContact O-CA 3.34Å; Y248-I279 WeakPolarHBondContact O-CG1 3.27Å; L250-I279 HydrophobicContact CD1-CD1 3.67Å; L250-I279 HydrophobicContact CD1-CG1 4.49Å; L250-I279 HydrophobicContact CG-CD1 4.29Å; L266-I279 HydrophobicContact CD2-CD1 3.38Å; I269-I279 HydrophobicContact CD1-CD1 3.84Å; I269-I279 HydrophobicContact CG2-CD1 4.24Å; I279-V281 HydrophobicContact CD1-CG2 4.2Å; I279-V281 HydrophobicContact CG1-CG2 4.21Å; I279-L321 HydrophobicContact CD1-CD2 4.24Å; I279-L321 HydrophobicContact CG2-CD2 3.52Å; I279-F326 HydrophobicContact CB-CE1 4.13Å; I279-F326 HydrophobicContact CB-CZ 4.09Å; I279-F326 HydrophobicContact CG2-CD1 3.91Å; I279-F326 HydrophobicContact CG2-CD2 4.18Å; I279-F326 HydrophobicContact CG2-CE1 3.84Å; I279-F326 HydrophobicContact CG2-CE2 4.1Å; I279-F326 HydrophobicContact CG2-CG 4.09Å; I279-F326 HydrophobicContact CG2-CZ 3.94Å; I279-L342 WeakPolarHBondContact O-CA 3.47Å; I279-A343 HydrophobicContact CG2-CB 4.04Å; I279-A343 PolarHBondContact N-O 3.09Å; I279-A343 PolarHBondContact O-N 3.46Å
280L98.9Very high97Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-107.3110.2173.1-177.671.2000108.5L172 F175 L177 L247 Y248 I249 L250 I282 A340 I341 L342L172-L280 HydrophobicContact CD2-CD2 4.44Å; F175-L280 HydrophobicContact CD2-CD1 3.93Å; F175-L280 HydrophobicContact CE2-CD1 4.36Å; L177-L280 HydrophobicContact CD1-CD2 3.84Å; L177-L280 HydrophobicContact CD2-CD2 4.22Å; L247-L280 HydrophobicContact CD1-CB 4.08Å; L247-L280 HydrophobicContact CD2-CB 4.29Å; L247-L280 HydrophobicContact CG-CB 4.39Å; Y248-L280 PolarHBondContact O-N 3.23Å; I249-L280 CarbonylContact C-O 3.53Å; I249-L280 WeakPolarHBondContact CA-O 3.19Å; I249-L280 HydrophobicContact CD1-CD2 4.48Å; I249-L280 HydrophobicContact CG1-CB 4.26Å; I249-L280 HydrophobicContact CG1-CD2 4.24Å; I249-L280 HydrophobicContact CG2-CD2 4.35Å; L250-L280 PolarHBondContact N-O 2.91Å; L280-I282 HydrophobicContact CD2-CD1 3.97Å; L280-I282 HydrophobicContact CD2-CG1 4.35Å; L280-I282 HydrophobicContact CG-CD1 4.3Å; L280-I282 HydrophobicContact CG-CG1 4.16Å; L280-A340 HydrophobicContact CD1-CB 4.21Å; L280-I341 CarbonylContact C-O 3.59Å; L280-I341 VanDerWaalsContact CA-O 3.3Å; L280-I341 WeakPolarHBondContact CA-O 3.49Å; L280-L342 HydrophobicContact CD1-CB 4.45Å
281V98.9Very high96.8Very high1 Ų149.2 Ų49.21%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-99125.6175.1174.10000108.5L250 L254 I279 E283 Y317 I341L250-V281 HydrophobicContact CB-CG2 4.43Å; L250-V281 WeakPolarHBondContact O-CA 3.48Å; L254-V281 HydrophobicContact CD1-CG1 3.9Å; L254-V281 HydrophobicContact CD1-CG2 3.87Å; I279-V281 HydrophobicContact CD1-CG2 4.2Å; I279-V281 HydrophobicContact CG1-CG2 4.21Å; V281-E283 HydrophobicContact CG1-CB 4.48Å; V281-E283 HydrophobicContact CG1-CG 3.58Å; V281-Y317 HydrophobicContact CG1-CD1 4.34Å; V281-Y317 HydrophobicContact CG1-CE1 4.28Å; V281-I341 HydrophobicContact CB-CB 4.16Å; V281-I341 PolarHBondContact N-O 3.35Å; V281-I341 PolarHBondContact O-N 2.94Å
282I98.8Very high96.7Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-117.3109.6179.1-62.2162.3000108.6W164 V171 L193 I249 L250 A251 R252 L280 D339W164-I282 HydrophobicContact CH2-CG2 4Å; W164-I282 HydrophobicContact CZ3-CG2 4.08Å; V171-I282 HydrophobicContact CB-CD1 3.99Å; V171-I282 HydrophobicContact CB-CG1 4.08Å; V171-I282 HydrophobicContact CB-CG2 3.8Å; V171-I282 HydrophobicContact CG1-CG2 3.65Å; V171-I282 HydrophobicContact CG2-CD1 3.7Å; V171-I282 HydrophobicContact CG2-CG1 4.3Å; V171-I282 HydrophobicContact CG2-CG2 3.97Å; L193-I282 HydrophobicContact CD2-CD1 3.96Å; I249-I282 HydrophobicContact CG2-CD1 4.06Å; L250-I282 PolarHBondContact O-N 3.43Å; A251-I282 HydrophobicContact CB-CB 3.99Å; A251-I282 HydrophobicContact CB-CD1 4.1Å; R252-I282 PolarHBondContact N-O 3.26Å; L280-I282 HydrophobicContact CD2-CD1 3.97Å; L280-I282 HydrophobicContact CD2-CG1 4.35Å; L280-I282 HydrophobicContact CG-CD1 4.3Å; L280-I282 HydrophobicContact CG-CG1 4.16Å; I282-D339 WeakPolarHBondContact CA-O 3.5Å
283E98.5Very high96.6Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-146.5164.3-172.7-65.4-68.9-174.500110.7R252 V253 L254 H255 V281 L285 Y317 D339R252-E283 WeakPolarHBondContact CD-OE2 3.1Å; R252-E283 IonicContact CZ-OE2 2.76Å; R252-E283 IonicContact NE-OE2 3.18Å; R252-E283 IonicContact NH1-OE2 3.39Å; R252-E283 PolarHBondContact NH1-OE2 3.45Å; V253-E283 PolarHBondContact N-OE1 3.26Å; L254-E283 PolarHBondContact N-OE1 3.05Å; H255-E283 WeakPolarHBondContact CB-OE2 3.36Å; H255-E283 IonicContact CD2-OE1 3.1Å; H255-E283 IonicContact CD2-OE2 2.93Å; H255-E283 IonicContact CG-OE2 3.84Å; H255-E283 PolarHBondContact N-OE1 3.42Å; H255-E283 VanDerWaalsContact N-OE1 3.15Å; V281-E283 HydrophobicContact CG1-CB 4.48Å; V281-E283 HydrophobicContact CG1-CG 3.58Å; E283-L285 HydrophobicContact CB-CD2 4.41Å; E283-Y317 HydrophobicContact CB-CE2 4.09Å; E283-Y317 WeakPolarHBondContact CB-OH 3.41Å; E283-Y317 HydrophobicContact CG-CE1 4.2Å; E283-Y317 HydrophobicContact CG-CE2 4.4Å; E283-Y317 WeakPolarHBondContact CG-OH 3.39Å; E283-D339 PolarHBondContact N-O 2.82Å; E283-D339 PolarHBondContact O-N 3.21Å
284S98Very high96.7Very high1 Ų148.5 Ų48.51%0.00725%0.249CC..PPolyproline II helixtrans-85121.7169-1630000109R252 T296 E311 I337R252-S284 VanDerWaalsContact NH1-N 3.14Å; S284-T296 WeakPolarHBondContact O-CG2 3.45Å; S284-T296 WeakPolarHBondContact OG-CG2 3.45Å; S284-T296 PolarHBondContact OG-OG1 3.46Å; S284-E311 VanDerWaalsContact O-OE2 3.1Å; S284-I337 PolarHBondContact OG-O 3.02Å
285L98.3Very high96.9Very high2 Ų248.4 Ų48.41%0.0125%0.252CS..BIsolated β-bridgetrans-97.4127.1-170.7-59179.2000111.9E283 P314 Y317 F331 D339 I341E283-L285 HydrophobicContact CB-CD2 4.41Å; L285-P314 HydrophobicContact CB-CG 4.42Å; L285-P314 HydrophobicContact CD1-CG 4.1Å; L285-Y317 HydrophobicContact CD2-CD2 3.55Å; L285-Y317 HydrophobicContact CD2-CE2 3.4Å; L285-Y317 VanDerWaalsContact CD2-CE2 3.4Å; L285-F331 HydrophobicContact CD1-CD2 3.91Å; L285-D339 HydrophobicContact CD1-CB 3.48Å; L285-D339 VanDerWaalsContact CD1-CB 3.48Å; L285-D339 HydrophobicContact CG-CB 3.8Å; L285-I341 HydrophobicContact CD1-CD1 4.28Å; L285-I341 HydrophobicContact CD1-CG1 4.33Å; L285-I341 HydrophobicContact CD2-CD1 3.83Å
286L98.1Very high97.1Very high13 Ų1343 Ų437%0.06822%0.217CC..PPolyproline II helixtrans-71.2145.6167.7-70.7170.9000109.8G292 T296 Q297 E311 R312 T313 P314L286-G292 CarbonylContact C-O 3.59Å; L286-G292 WeakPolarHBondContact CA-O 3.43Å; L286-T296 HydrophobicContact CD2-CG2 3.69Å; L286-T296 HydrophobicContact CG-CG2 3.87Å; L286-Q297 HydrophobicContact CD2-CG 3.85Å; L286-E311 HydrophobicContact CD1-CB 4.32Å; L286-E311 WeakPolarHBondContact CD1-O 3.35Å; L286-E311 HydrophobicContact CG-CB 4.2Å; L286-R312 PolarHBondContact N-O 2.92Å; L286-R312 VanDerWaalsContact N-O 3.08Å; L286-T313 HydrophobicContact CB-CG2 3.9Å; L286-T313 WeakPolarHBondContact O-CA 3.24Å; L286-P314 VanDerWaalsContact O-CD 3.23Å; L286-P314 WeakPolarHBondContact O-CD 3.41Å
287D97.1Very high97.3Very high60 Ų6043.9 Ų43.932%0.32121%0.209SC..PPolyproline II helixtrans-60.4153.8163.3-67.3-33.7000109.6D289 R290 G292 T313 K333D287-D289 PolarHBondContact O-N 2.87Å; D287-D289 VanDerWaalsContact O-N 3.1Å; D287-R290 WeakPolarHBondContact O-CA 3.27Å; D287-R290 PolarHBondContact O-N 2.97Å; D287-G292 PolarHBondContact N-O 3.11Å; D287-T313 VanDerWaalsContact O-CG2 3.3Å; D287-T313 WeakPolarHBondContact O-CG2 3.39Å; D287-K333 IonicContact OD1-NZ 2.72Å; D287-K333 PolarHBondContact OD1-NZ 3.31Å
288E97.7Very high97.3Very high96 Ų9647.5 Ų47.545%0.44923%0.227SC..THydrogen-bonded Turntrans-61.9-26.5-169.2-68.3-63.8176.800114.2R290 T313 T315E288-R290 PolarHBondContact O-N 3.19Å; E288-T313 WeakPolarHBondContact OE2-CB 3.37Å; E288-T313 PolarHBondContact OE2-OG1 3.07Å; E288-T315 WeakPolarHBondContact OE1-CB 3.2Å; E288-T315 PolarHBondContact OE1-N 3.44Å; E288-T315 PolarHBondContact OE1-OG1 3.47Å; E288-T315 VanDerWaalsContact OE2-CB 3.22Å; E288-T315 WeakPolarHBondContact OE2-CB 3.46Å; E288-T315 PolarHBondContact OE2-OG1 2.95Å; E288-T315 VanDerWaalsContact OE2-OG1 3.12Å
289D97.1Very high97.3Very high82 Ų8250.2 Ų50.244%0.43924%0.238SC..THydrogen-bonded Turntrans-83.8-0174.677-8.6000113.7D287 R291D287-D289 PolarHBondContact O-N 2.87Å; D287-D289 VanDerWaalsContact O-N 3.1Å; D289-R291 PolarHBondContact O-N 2.92Å; D289-R291 WeakPolarHBondContact OD1-CB 3.45Å; D289-R291 PolarHBondContact OD1-N 3.05Å; D289-R291 IonicContact OD2-CZ 3.62Å; D289-R291 IonicContact OD2-NE 3.03Å; D289-R291 PolarHBondContact OD2-NE 2.81Å; D289-R291 IonicContact OD2-NH2 3.16Å; D289-R291 PolarHBondContact OD2-NH2 3.02Å
290R95.2Very high97.2Very high148 Ų14851.5 Ų51.556%0.55825%0.247SC*.SBendtrans63.715.6179.7-51.5175.5-178.4-174.1-3.6114.5D287 E288 Q297 T313D287-R290 WeakPolarHBondContact O-CA 3.27Å; D287-R290 PolarHBondContact O-N 2.97Å; E288-R290 PolarHBondContact O-N 3.19Å; R290-Q297 PolarHBondContact O-NE2 3.32Å; R290-T313 HydrophobicContact CG-CG2 3.79Å
291R94.9Very high97.2Very high187 Ų18754.1 Ų54.171%0.70626%0.261SS*.  trans-100.412.6-176.2-67.8-176.9-68.6-168.8-5.4114.4D289D289-R291 PolarHBondContact O-N 2.92Å; D289-R291 WeakPolarHBondContact OD1-CB 3.45Å; D289-R291 PolarHBondContact OD1-N 3.05Å; D289-R291 IonicContact OD2-CZ 3.62Å; D289-R291 IonicContact OD2-NE 3.03Å; D289-R291 PolarHBondContact OD2-NE 2.81Å; D289-R291 IonicContact OD2-NH2 3.16Å; D289-R291 PolarHBondContact OD2-NH2 3.02Å
292G93.7Very high97.1Very high7 Ų755.5 Ų55.57%0.07227%0.268CS..  trans178.3177.5174.100000112.1L286 D287L286-G292 CarbonylContact C-O 3.59Å; L286-G292 WeakPolarHBondContact CA-O 3.43Å; D287-G292 PolarHBondContact N-O 3.11Å
293P95.8Very high97Very high58 Ų5856 Ų5638%0.37727%0.271SS..  cis-64.2153.7-9.8-20.233.1000112.6L295 T296 Q297P293-L295 VanDerWaalsContact C-N 3.26Å; P293-L295 PolarHBondContact O-N 3.14Å; P293-T296 PolarHBondContact O-N 2.85Å; P293-Q297 PolarHBondContact O-N 2.85Å
294L96.3Very high96.9Very high117 Ų11758.3 Ų58.361%0.61328%0.282SS*.Hα-helixtrans-55.3-41-178176.161.6000112.4T296 Q297 L298L294-T296 VanDerWaalsContact C-N 3.33Å; L294-T296 PolarHBondContact O-N 3.46Å; L294-Q297 WeakPolarHBondContact O-CB 3.43Å; L294-Q297 PolarHBondContact O-N 2.89Å; L294-L298 HydrophobicContact CD1-CG 4.35Å; L294-L298 HydrophobicContact CG-CD1 4.29Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.17Å
295L96.2Very high96.8Very high76 Ų7658.2 Ų58.240%0.39828%0.282SS..Hα-helixtrans-60.1-43.4178.2-178.660.1000111.8P293 Q297 L298 Y299 I337P293-L295 VanDerWaalsContact C-N 3.26Å; P293-L295 PolarHBondContact O-N 3.14Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.35Å; L295-L298 WeakPolarHBondContact O-CB 3.42Å; L295-L298 PolarHBondContact O-N 3.1Å; L295-Y299 HydrophobicContact CD1-CD1 4.44Å; L295-Y299 HydrophobicContact CD1-CE1 3.82Å; L295-Y299 HydrophobicContact CD1-CE2 4.3Å; L295-Y299 HydrophobicContact CD2-CE2 4.3Å; L295-Y299 HydrophobicContact CG-CD2 4.48Å; L295-Y299 HydrophobicContact CG-CE1 4.34Å; L295-Y299 HydrophobicContact CG-CE2 3.93Å; L295-Y299 PolarHBondContact O-N 3.31Å; L295-I337 HydrophobicContact CD2-CD1 4.49Å; L295-I337 HydrophobicContact CD2-CG1 4.23Å; L295-I337 HydrophobicContact CD2-CG2 4.24Å
296T97.9Very high96.6Very high7 Ų758.4 Ų58.44%0.04328%0.283CS..Hα-helixtrans-67.9-34.3177.2-49.90000111.8S284 L286 P293 L294 Y299 S300 E311S284-T296 WeakPolarHBondContact O-CG2 3.45Å; S284-T296 WeakPolarHBondContact OG-CG2 3.45Å; S284-T296 PolarHBondContact OG-OG1 3.46Å; L286-T296 HydrophobicContact CD2-CG2 3.69Å; L286-T296 HydrophobicContact CG-CG2 3.87Å; P293-T296 PolarHBondContact O-N 2.85Å; L294-T296 VanDerWaalsContact C-N 3.33Å; L294-T296 PolarHBondContact O-N 3.46Å; T296-Y299 PolarHBondContact O-N 3.26Å; T296-S300 PolarHBondContact O-N 2.87Å; T296-E311 HydrophobicContact CG2-CB 3.81Å; T296-E311 HydrophobicContact CG2-CG 3.95Å
297Q97.9Very high96.4Very high65 Ų6558.1 Ų58.130%0.30428%0.282SS..Hα-helixtrans-64.6-41.1171.3-65.7-179.8-59.800111.9L286 R290 P293 L294 L295 Y299 S300 L301L286-Q297 HydrophobicContact CD2-CG 3.85Å; R290-Q297 PolarHBondContact O-NE2 3.32Å; P293-Q297 PolarHBondContact O-N 2.85Å; L294-Q297 WeakPolarHBondContact O-CB 3.43Å; L294-Q297 PolarHBondContact O-N 2.89Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.35Å; Q297-Y299 VanDerWaalsContact C-N 3.31Å; Q297-Y299 PolarHBondContact O-N 2.83Å; Q297-S300 PolarHBondContact O-N 3.23Å; Q297-L301 PolarHBondContact O-N 3.1Å
298L97.8Very high96.2Very high77 Ų7758.9 Ų58.940%0.40328%0.283SS..Hα-helixtrans-63.4-37.6174.1-68.7171.8000111.4W117 L294 L295 L301 N302W117-L298 HydrophobicContact CH2-CD2 4.17Å; L294-L298 HydrophobicContact CD1-CG 4.35Å; L294-L298 HydrophobicContact CG-CD1 4.29Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.17Å; L295-L298 WeakPolarHBondContact O-CB 3.42Å; L295-L298 PolarHBondContact O-N 3.1Å; L298-L301 PolarHBondContact O-N 3.36Å; L298-N302 WeakPolarHBondContact O-CB 3.37Å; L298-N302 PolarHBondContact O-N 2.98Å
299Y97.6Very high96Very high58 Ų5854.8 Ų54.823%0.22727%0.267CS..Hα-helixtrans-66.2-40172.3-67.9-19.1000112.8L295 T296 Q297 L301 N302 M303 I337 Y338L295-Y299 HydrophobicContact CD1-CD1 4.44Å; L295-Y299 HydrophobicContact CD1-CE1 3.82Å; L295-Y299 HydrophobicContact CD1-CE2 4.3Å; L295-Y299 HydrophobicContact CD2-CE2 4.3Å; L295-Y299 HydrophobicContact CG-CD2 4.48Å; L295-Y299 HydrophobicContact CG-CE1 4.34Å; L295-Y299 HydrophobicContact CG-CE2 3.93Å; L295-Y299 PolarHBondContact O-N 3.31Å; T296-Y299 PolarHBondContact O-N 3.26Å; Q297-Y299 VanDerWaalsContact C-N 3.31Å; Q297-Y299 PolarHBondContact O-N 2.83Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 2.91Å; Y299-N302 CarbonylContact O-C 3.59Å; Y299-N302 WeakPolarHBondContact O-CA 3.38Å; Y299-N302 VanDerWaalsContact O-CB 3.28Å; Y299-N302 WeakPolarHBondContact O-CB 2.95Å; Y299-N302 PolarHBondContact O-N 3.4Å; Y299-N302 VanDerWaalsContact O-N 3.07Å; Y299-M303 WeakPolarHBondContact O-CG 3.1Å; Y299-M303 PolarHBondContact O-N 2.99Å; Y299-I337 HydrophobicContact CE2-CG2 3.55Å; Y299-Y338 HydrophobicContact CE2-CE1 4.42Å
300S97.5Very high96Very high27 Ų2754.4 Ų54.419%0.18926%0.263CS..Hα-helixtrans-63-41175.5-159.50000111.4T296 Q297 N302 M303 L304 E311T296-S300 PolarHBondContact O-N 2.87Å; Q297-S300 PolarHBondContact O-N 3.23Å; S300-N302 VanDerWaalsContact C-N 3.32Å; S300-N302 PolarHBondContact O-N 2.8Å; S300-M303 WeakPolarHBondContact O-CB 3.23Å; S300-M303 PolarHBondContact O-N 3.42Å; S300-L304 PolarHBondContact O-N 3.48Å; S300-L304 VanDerWaalsContact O-N 3.16Å; S300-E311 PolarHBondContact OG-N 3.12Å; S300-E311 VanDerWaalsContact OG-N 3.16Å
301L97.5Very high96.2Very high54 Ų5447.5 Ų47.528%0.28324%0.236SC..Hα-helixtrans-66.8-34.8172.7-168.957.4000112.1W117 L120 Q297 L298 Y299 M303 L304 V305W117-L301 HydrophobicContact CH2-CB 4.17Å; W117-L301 HydrophobicContact CH2-CD2 3.75Å; W117-L301 HydrophobicContact CH2-CG 3.97Å; W117-L301 HydrophobicContact CZ2-CB 4.47Å; W117-L301 HydrophobicContact CZ2-CG 4.47Å; W117-L301 HydrophobicContact CZ3-CD2 4.01Å; L120-L301 HydrophobicContact CD1-CD1 3.9Å; L120-L301 HydrophobicContact CD1-CD2 3.96Å; L120-L301 HydrophobicContact CD1-CG 3.86Å; L120-L301 HydrophobicContact CD2-CD2 4.23Å; Q297-L301 PolarHBondContact O-N 3.1Å; L298-L301 PolarHBondContact O-N 3.36Å; Y299-L301 VanDerWaalsContact C-N 3.31Å; Y299-L301 PolarHBondContact O-N 2.91Å; L301-M303 VanDerWaalsContact C-N 3.27Å; L301-M303 PolarHBondContact O-N 2.95Å; L301-L304 HydrophobicContact CD1-CB 4.49Å; L301-L304 HydrophobicContact CD1-CD2 3.98Å; L301-L304 WeakPolarHBondContact O-CB 3.29Å; L301-L304 PolarHBondContact O-N 3.03Å; L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 3.02Å; L301-V305 VanDerWaalsContact O-N 3.08Å
302N97.6Very high96.3Very high30 Ų3038.7 Ų38.716%0.1620%0.203CC..Hα-helixtrans-63.2-34.4172.5-171.173.8000112W117 L298 Y299 S300 V305 Q306W117-N302 HydrophobicContact CZ2-CB 4.07Å; W117-N302 PolarHBondContact NE1-OD1 3.35Å; L298-N302 WeakPolarHBondContact O-CB 3.37Å; L298-N302 PolarHBondContact O-N 2.98Å; Y299-N302 CarbonylContact O-C 3.59Å; Y299-N302 WeakPolarHBondContact O-CA 3.38Å; Y299-N302 VanDerWaalsContact O-CB 3.28Å; Y299-N302 WeakPolarHBondContact O-CB 2.95Å; Y299-N302 PolarHBondContact O-N 3.4Å; Y299-N302 VanDerWaalsContact O-N 3.07Å; S300-N302 VanDerWaalsContact C-N 3.32Å; S300-N302 PolarHBondContact O-N 2.8Å; N302-V305 PolarHBondContact O-N 3.37Å; N302-Q306 PolarHBondContact ND2-NE2 3.35Å; N302-Q306 VanDerWaalsContact ND2-NE2 3.19Å; N302-Q306 WeakPolarHBondContact O-CB 3.37Å; N302-Q306 PolarHBondContact O-N 3.06Å; N302-Q306 PolarHBondContact OD1-NE2 3.05Å
303M96.3Very high96.6Very high12 Ų1238.6 Ų38.66%0.05920%0.201CC..Hα-helixtrans-66.7-39.3173.5-64.4-55.695.400111.5H255 Y299 S300 L301 V305 Q306 T307 G309H255-M303 PolarHBondContact CE1-SD 3.35Å; H255-M303 PolarHBondContact ND1-SD 3.01Å; Y299-M303 WeakPolarHBondContact O-CG 3.1Å; Y299-M303 PolarHBondContact O-N 2.99Å; S300-M303 WeakPolarHBondContact O-CB 3.23Å; S300-M303 PolarHBondContact O-N 3.42Å; L301-M303 VanDerWaalsContact C-N 3.27Å; L301-M303 PolarHBondContact O-N 2.95Å; M303-V305 VanDerWaalsContact C-N 3.28Å; M303-V305 PolarHBondContact O-N 3.28Å; M303-Q306 PolarHBondContact O-N 3.06Å; M303-T307 WeakPolarHBondContact CB-OG1 3.18Å; M303-T307 HydrophobicContact CE-CG2 4.34Å; M303-T307 CarbonylContact O-C 3.34Å; M303-T307 VanDerWaalsContact O-C 3.26Å; M303-T307 VanDerWaalsContact O-CA 3.26Å; M303-T307 WeakPolarHBondContact O-CA 3.5Å; M303-T307 PolarHBondContact O-N 3.01Å; M303-T307 PolarHBondContact O-OG1 3.05Å; M303-T307 HydrophobicContact SD-CG2 3.86Å; M303-G309 WeakPolarHBondContact CB-O 3.49Å
304L96.3Very high96.7Very high47 Ų4736.2 Ų36.225%0.24619%0.186CC..Hα-helixtrans-59.1-41.4170.6175.164.5000112.2A123 V124 R128 N129 S300 L301A123-L304 HydrophobicContact CB-CG 4.48Å; V124-L304 HydrophobicContact CG2-CD2 4.44Å; R128-L304 CarbonylContact C-O 3.56Å; N129-L304 VanDerWaalsContact CA-O 3.31Å; N129-L304 WeakPolarHBondContact CA-O 3.46Å; N129-L304 PolarHBondContact N-O 2.94Å; S300-L304 PolarHBondContact O-N 3.48Å; S300-L304 VanDerWaalsContact O-N 3.16Å; L301-L304 HydrophobicContact CD1-CB 4.49Å; L301-L304 HydrophobicContact CD1-CD2 3.98Å; L301-L304 WeakPolarHBondContact O-CB 3.29Å; L301-L304 PolarHBondContact O-N 3.03Å
305V96.5Very high96.8Very high0 Ų033.9 Ų33.90%018%0.176CC..Hα-helixtrans-74.3-29.8-175.2171.50000112.6C116 W117 L120 A123 N129 Q130 L301 N302 M303C116-V305 HydrophobicContact CB-CG1 3.45Å; C116-V305 VanDerWaalsContact CB-CG1 3.45Å; W117-V305 HydrophobicContact CG-CG1 4.46Å; L120-V305 HydrophobicContact CD1-CG2 3.59Å; A123-V305 HydrophobicContact CB-CG2 4.13Å; N129-V305 VanDerWaalsContact CA-O 3.3Å; N129-V305 WeakPolarHBondContact CA-O 3.45Å; N129-V305 WeakPolarHBondContact CB-O 3.44Å; Q130-V305 PolarHBondContact N-O 3.5Å; L301-V305 WeakPolarHBondContact O-CG2 3.38Å; L301-V305 PolarHBondContact O-N 3.02Å; L301-V305 VanDerWaalsContact O-N 3.08Å; N302-V305 PolarHBondContact O-N 3.37Å; M303-V305 VanDerWaalsContact C-N 3.28Å; M303-V305 PolarHBondContact O-N 3.28Å
306Q94.3Very high96.9Very high6 Ų631 Ų313%0.02816%0.161CC..Hα-helixtrans-118.8-21.9-172-63.6-165.457.500114.8Y108 S113 C116 Y131 L142 N302 M303Y108-Q306 PolarHBondContact OH-OE1 3.37Å; S113-Q306 VanDerWaalsContact CB-NE2 3.29Å; S113-Q306 PolarHBondContact OG-NE2 2.99Å; C116-Q306 HydrophobicContact CB-CG 4.43Å; Y131-Q306 HydrophobicContact CE2-CB 3.99Å; Y131-Q306 HydrophobicContact CE2-CG 4.39Å; Y131-Q306 WeakPolarHBondContact CE2-O 3.42Å; Y131-Q306 PolarHBondContact OH-OE1 3.29Å; L142-Q306 VanDerWaalsContact CD1-O 3.27Å; L142-Q306 WeakPolarHBondContact CD1-O 3.34Å; N302-Q306 PolarHBondContact ND2-NE2 3.35Å; N302-Q306 VanDerWaalsContact ND2-NE2 3.19Å; N302-Q306 WeakPolarHBondContact O-CB 3.37Å; N302-Q306 PolarHBondContact O-N 3.06Å; N302-Q306 PolarHBondContact OD1-NE2 3.05Å; M303-Q306 PolarHBondContact O-N 3.06Å
307T93.8Very high97Very high7 Ų730.8 Ų30.84%0.04316%0.159CC..SBendtrans-132.6-163.6-17280.40000111.6L142 D256 M303 G309L142-T307 HydrophobicContact CD1-CG2 4.05Å; L142-T307 HydrophobicContact CD2-CG2 4.19Å; D256-T307 PolarHBondContact O-OG1 2.61Å; M303-T307 WeakPolarHBondContact CB-OG1 3.18Å; M303-T307 HydrophobicContact CE-CG2 4.34Å; M303-T307 CarbonylContact O-C 3.34Å; M303-T307 VanDerWaalsContact O-C 3.26Å; M303-T307 VanDerWaalsContact O-CA 3.26Å; M303-T307 WeakPolarHBondContact O-CA 3.5Å; M303-T307 PolarHBondContact O-N 3.01Å; M303-T307 PolarHBondContact O-OG1 3.05Å; M303-T307 HydrophobicContact SD-CG2 3.86Å; T307-G309 PolarHBondContact OG1-N 2.81Å; T307-G309 VanDerWaalsContact OG1-N 3.13Å
308E91.5Very high97Very high75 Ų7531.4 Ų31.435%0.3516%0.162SC..SBendtrans-111.43.7171.560.7171.4-139.200112.1D256 W257 A258 K261D256-E308 VanDerWaalsContact O-CG 3.28Å; D256-E308 WeakPolarHBondContact O-CG 3.43Å; D256-E308 PolarHBondContact O-N 3.26Å; W257-E308 HydrophobicContact CE3-CG 4.29Å; A258-E308 PolarHBondContact N-OE1 2.85Å; K261-E308 VanDerWaalsContact CD-OE1 3.28Å; K261-E308 WeakPolarHBondContact CD-OE1 3.31Å; K261-E308 WeakPolarHBondContact CE-OE1 3.46Å; K261-E308 IonicContact NZ-OE1 2.88Å; K261-E308 PolarHBondContact NZ-OE1 2.85Å; K261-E308 IonicContact NZ-OE2 3.89Å; K261-E308 PolarHBondContact NZ-OE2 3.35Å
309G94.7Very high97Very high10 Ų1032.6 Ų32.610%0.10317%0.167CC..  trans-106.6-160.7-171.300000113.7H255 D256 W257 M303 T307H255-G309 CarbonylContact O-C 3.55Å; H255-G309 WeakPolarHBondContact O-CA 3.49Å; D256-G309 PolarHBondContact O-N 2.74Å; D256-G309 VanDerWaalsContact O-N 3.16Å; W257-G309 WeakPolarHBondContact O-CA 3.21Å; M303-G309 WeakPolarHBondContact CB-O 3.49Å; T307-G309 PolarHBondContact OG1-N 2.81Å; T307-G309 VanDerWaalsContact OG1-N 3.13Å
310Q97.3Very high97.1Very high75 Ų7530.3 Ų30.335%0.3516%0.159SC..  trans-166.1157.1-175.659.7179.830.300110.9H255 R312H255-Q310 WeakPolarHBondContact CA-O 3.18Å; H255-Q310 PolarHBondContact O-N 2.96Å; Q310-R312 HydrophobicContact CG-CG 4.06Å; Q310-R312 PolarHBondContact O-NH1 3.38Å; Q310-R312 VanDerWaalsContact O-NH1 3.07Å
311E98Very high97.2Very high2 Ų229.1 Ų29.11%0.00915%0.15CC..  trans-73.2148.2162.7-53.3-59.6158.800109.7R252 H255 S284 L286 T296 S300R252-E311 IonicContact CZ-OE1 3.99Å; R252-E311 IonicContact CZ-OE2 2.66Å; R252-E311 IonicContact NH1-OE1 3.86Å; R252-E311 PolarHBondContact NH1-OE1 3.24Å; R252-E311 VanDerWaalsContact NH1-OE1 3.12Å; R252-E311 IonicContact NH1-OE2 3.2Å; R252-E311 PolarHBondContact NH1-OE2 3.49Å; R252-E311 IonicContact NH2-OE1 2.91Å; R252-E311 PolarHBondContact NH2-OE1 3.25Å; R252-E311 IonicContact NH2-OE2 2.8Å; H255-E311 IonicContact CE1-OE1 2.8Å; H255-E311 IonicContact CG-OE1 3.52Å; H255-E311 IonicContact ND1-OE1 3.6Å; H255-E311 PolarHBondContact ND1-OE1 2.9Å; S284-E311 VanDerWaalsContact O-OE2 3.1Å; L286-E311 HydrophobicContact CD1-CB 4.32Å; L286-E311 WeakPolarHBondContact CD1-O 3.35Å; L286-E311 HydrophobicContact CG-CB 4.2Å; T296-E311 HydrophobicContact CG2-CB 3.81Å; T296-E311 HydrophobicContact CG2-CG 3.95Å; S300-E311 PolarHBondContact OG-N 3.12Å; S300-E311 VanDerWaalsContact OG-N 3.16Å
312R98.4Very high97.2Very high2 Ų229 Ų291%0.00815%0.154CC..BIsolated β-bridgetrans-130.6161.7-172.9-61.5178.6178.283-8.7111.4L254 W257 D259 L286 Q310 H316 Y317L254-R312 PolarHBondContact O-NH1 2.85Å; W257-R312 PolarHBondContact O-NH2 2.92Å; D259-R312 IonicContact OD1-CZ 3.79Å; D259-R312 VanDerWaalsContact OD1-CZ 3.25Å; D259-R312 IonicContact OD1-NE 3.85Å; D259-R312 PolarHBondContact OD1-NE 3.05Å; D259-R312 IonicContact OD1-NH2 2.81Å; D259-R312 PolarHBondContact OD1-NH2 2.96Å; L286-R312 PolarHBondContact N-O 2.92Å; L286-R312 VanDerWaalsContact N-O 3.08Å; Q310-R312 HydrophobicContact CG-CG 4.06Å; Q310-R312 PolarHBondContact O-NH1 3.38Å; Q310-R312 VanDerWaalsContact O-NH1 3.07Å; R312-H316 HydrophobicContact CB-CB 4.08Å; R312-Y317 HydrophobicContact CB-CD2 4Å; R312-Y317 HydrophobicContact CB-CE1 4.32Å; R312-Y317 HydrophobicContact CB-CE2 3.57Å
313T98.6Very high97.2Very high6 Ų631.9 Ų31.94%0.03718%0.176CC..  trans-81.1160.6175.177.80000110.6L286 D287 E288 R290 T315 H316 Y317L286-T313 HydrophobicContact CB-CG2 3.9Å; L286-T313 WeakPolarHBondContact O-CA 3.24Å; D287-T313 VanDerWaalsContact O-CG2 3.3Å; D287-T313 WeakPolarHBondContact O-CG2 3.39Å; E288-T313 WeakPolarHBondContact OE2-CB 3.37Å; E288-T313 PolarHBondContact OE2-OG1 3.07Å; R290-T313 HydrophobicContact CG-CG2 3.79Å; T313-T315 VanDerWaalsContact C-N 3.26Å; T313-T315 PolarHBondContact O-N 3.24Å; T313-T315 PolarHBondContact OG1-N 3.14Å; T313-H316 PolarHBondContact O-N 3.3Å; T313-H316 VanDerWaalsContact O-N 3.07Å; T313-H316 PolarHBondContact OG1-N 3.39Å; T313-Y317 WeakPolarHBondContact O-CD2 3.44Å; T313-Y317 PolarHBondContact O-N 2.88Å; T313-Y317 VanDerWaalsContact O-N 3.09Å
314P98.5Very high97.3Very high7 Ų731.7 Ų31.75%0.04518%0.177CC..Hα-helixtrans-53.1-43.3172.2-22.629.3000112.6L285 L286 H316 Y317 H318 F329 F331L285-P314 HydrophobicContact CB-CG 4.42Å; L285-P314 HydrophobicContact CD1-CG 4.1Å; L286-P314 VanDerWaalsContact O-CD 3.23Å; L286-P314 WeakPolarHBondContact O-CD 3.41Å; P314-H316 VanDerWaalsContact C-N 3.3Å; P314-H316 PolarHBondContact O-N 2.89Å; P314-Y317 PolarHBondContact O-N 3.15Å; P314-H318 WeakPolarHBondContact O-CB 3.46Å; P314-H318 PolarHBondContact O-N 2.93Å; P314-F329 WeakPolarHBondContact O-CZ 3.49Å; P314-F331 HydrophobicContact CB-CD1 3.81Å; P314-F331 HydrophobicContact CB-CD2 4.16Å; P314-F331 HydrophobicContact CB-CE1 3.76Å; P314-F331 HydrophobicContact CB-CE2 4.12Å; P314-F331 HydrophobicContact CB-CG 4Å; P314-F331 HydrophobicContact CB-CZ 3.92Å; P314-F331 HydrophobicContact CG-CD1 4.45Å; P314-F331 HydrophobicContact CG-CD2 4Å; P314-F331 HydrophobicContact CG-CE1 4.16Å; P314-F331 HydrophobicContact CG-CE2 3.7Å; P314-F331 HydrophobicContact CG-CG 4.37Å; P314-F331 HydrophobicContact CG-CZ 3.78Å
315T98.6Very high97.4Very high68 Ų6830.5 Ų30.542%0.41718%0.175SC..Hα-helixtrans-61.4-37177.2-63.50000112.6E288 T313 H318 M319E288-T315 WeakPolarHBondContact OE1-CB 3.2Å; E288-T315 PolarHBondContact OE1-N 3.44Å; E288-T315 PolarHBondContact OE1-OG1 3.47Å; E288-T315 VanDerWaalsContact OE2-CB 3.22Å; E288-T315 WeakPolarHBondContact OE2-CB 3.46Å; E288-T315 PolarHBondContact OE2-OG1 2.95Å; E288-T315 VanDerWaalsContact OE2-OG1 3.12Å; T313-T315 VanDerWaalsContact C-N 3.26Å; T313-T315 PolarHBondContact O-N 3.24Å; T313-T315 PolarHBondContact OG1-N 3.14Å; T315-H318 WeakPolarHBondContact O-CB 3.39Å; T315-H318 PolarHBondContact O-N 3.16Å; T315-M319 WeakPolarHBondContact O-CG 3.21Å; T315-M319 PolarHBondContact O-N 3.29Å
316H98.6Very high97.5Very high17 Ų1730.6 Ų30.68%0.07918%0.176CC..Hα-helixtrans-68.8-44.3177.1-169.9176.2000111.7D259 R312 T313 P314 H318 M319 L320D259-H316 IonicContact OD1-CE1 2.7Å; D259-H316 IonicContact OD1-NE2 3.52Å; D259-H316 PolarHBondContact OD1-NE2 3.49Å; D259-H316 IonicContact OD2-CE1 2.66Å; D259-H316 PolarHBondContact OD2-CE1 2.77Å; D259-H316 IonicContact OD2-NE2 3.75Å; D259-H316 PolarHBondContact OD2-NE2 2.93Å; R312-H316 HydrophobicContact CB-CB 4.08Å; T313-H316 PolarHBondContact O-N 3.3Å; T313-H316 VanDerWaalsContact O-N 3.07Å; T313-H316 PolarHBondContact OG1-N 3.39Å; P314-H316 VanDerWaalsContact C-N 3.3Å; P314-H316 PolarHBondContact O-N 2.89Å; H316-H318 VanDerWaalsContact C-N 3.3Å; H316-H318 PolarHBondContact O-N 3.5Å; H316-M319 HydrophobicContact CB-CE 4.31Å; H316-M319 PolarHBondContact O-N 3.45Å; H316-M319 VanDerWaalsContact O-N 3.16Å; H316-L320 PolarHBondContact O-N 3.43Å
317Y98.8Very high97.6Very high1 Ų138.4 Ų38.40%0.00421%0.205CC..Hα-helixtrans-60.5-40.1172.3-75-64.3000112.3L254 V281 E283 L285 R312 T313 P314 M319 L320 L321 I341L254-Y317 HydrophobicContact CB-CE1 4.03Å; L254-Y317 HydrophobicContact CD1-CD1 4.15Å; L254-Y317 HydrophobicContact CD1-CE1 4.03Å; V281-Y317 HydrophobicContact CG1-CD1 4.34Å; V281-Y317 HydrophobicContact CG1-CE1 4.28Å; E283-Y317 HydrophobicContact CB-CE2 4.09Å; E283-Y317 WeakPolarHBondContact CB-OH 3.41Å; E283-Y317 HydrophobicContact CG-CE1 4.2Å; E283-Y317 HydrophobicContact CG-CE2 4.4Å; E283-Y317 WeakPolarHBondContact CG-OH 3.39Å; L285-Y317 HydrophobicContact CD2-CD2 3.55Å; L285-Y317 HydrophobicContact CD2-CE2 3.4Å; L285-Y317 VanDerWaalsContact CD2-CE2 3.4Å; R312-Y317 HydrophobicContact CB-CD2 4Å; R312-Y317 HydrophobicContact CB-CE1 4.32Å; R312-Y317 HydrophobicContact CB-CE2 3.57Å; T313-Y317 WeakPolarHBondContact O-CD2 3.44Å; T313-Y317 PolarHBondContact O-N 2.88Å; T313-Y317 VanDerWaalsContact O-N 3.09Å; P314-Y317 PolarHBondContact O-N 3.15Å; Y317-M319 VanDerWaalsContact C-N 3.31Å; Y317-M319 PolarHBondContact O-N 3.33Å; Y317-L320 PolarHBondContact O-N 3.49Å; Y317-L321 WeakPolarHBondContact O-CB 3.45Å; Y317-L321 WeakPolarHBondContact O-CG 3.25Å; Y317-L321 PolarHBondContact O-N 2.89Å; Y317-I341 HydrophobicContact CD2-CD1 3.56Å; Y317-I341 HydrophobicContact CE2-CD1 4.37Å; Y317-I341 HydrophobicContact CG-CD1 3.67Å
318H98.7Very high97.8Very high79 Ų7943.6 Ų43.637%0.36623%0.233SC..Hα-helixtrans-58.5-41.6174.6177.4-137.4000112.2P314 T315 H316 S322 F329P314-H318 WeakPolarHBondContact O-CB 3.46Å; P314-H318 PolarHBondContact O-N 2.93Å; T315-H318 WeakPolarHBondContact O-CB 3.39Å; T315-H318 PolarHBondContact O-N 3.16Å; H316-H318 VanDerWaalsContact C-N 3.3Å; H316-H318 PolarHBondContact O-N 3.5Å; H318-S322 PolarHBondContact CD2-OG 2.82Å; H318-S322 VanDerWaalsContact CD2-OG 3.25Å; H318-S322 PolarHBondContact NE2-OG 3.02Å; H318-S322 VanDerWaalsContact NE2-OG 3.16Å; H318-S322 WeakPolarHBondContact O-CB 3.39Å; H318-S322 PolarHBondContact O-N 3.35Å; H318-S322 PolarHBondContact O-OG 3.18Å; H318-F329 VanDerWaalsContact CA-CE2 3.45Å; H318-F329 HydrophobicContact CB-CD1 3.97Å; H318-F329 HydrophobicContact CB-CD2 3.82Å; H318-F329 HydrophobicContact CB-CE1 3.85Å; H318-F329 HydrophobicContact CB-CE2 3.65Å; H318-F329 HydrophobicContact CB-CG 3.98Å; H318-F329 HydrophobicContact CB-CZ 3.69Å; H318-F329 VanDerWaalsContact CD2-CB 3.46Å; H318-F329 WeakPolarHBondContact CD2-CB 3.41Å; H318-F329 AromaticContact CD2-CD1 3.94Å; H318-F329 AromaticContact CD2-CD2 3.82Å; H318-F329 AromaticContact CD2-CG 3.47Å; H318-F329 VanDerWaalsContact CD2-CG 3.47Å; H318-F329 WeakPolarHBondContact CD2-CG 3.45Å; H318-F329 AromaticContact CG-CD1 3.99Å; H318-F329 AromaticContact CG-CG 3.9Å
319M98.6Very high98.1Very high101 Ų10142.2 Ų42.250%0.49823%0.226SC..Hα-helixtrans-65.2-44.7176-71-173.7-64.500112.4T315 H316 Y317 S323T315-M319 WeakPolarHBondContact O-CG 3.21Å; T315-M319 PolarHBondContact O-N 3.29Å; H316-M319 HydrophobicContact CB-CE 4.31Å; H316-M319 PolarHBondContact O-N 3.45Å; H316-M319 VanDerWaalsContact O-N 3.16Å; Y317-M319 VanDerWaalsContact C-N 3.31Å; Y317-M319 PolarHBondContact O-N 3.33Å; M319-S323 VanDerWaalsContact O-CB 3.31Å; M319-S323 WeakPolarHBondContact O-CB 3.44Å; M319-S323 PolarHBondContact O-N 2.99Å; M319-S323 PolarHBondContact O-OG 3.05Å
320L98.7Very high98.3Very high11 Ų1146.8 Ų46.86%0.05824%0.244CC..Hα-helixtrans-61.1-48.5178-71171.5000111.1D259 C262 L266 H316 Y317 S323 A324D259-L320 HydrophobicContact CB-CD2 4.33Å; C262-L320 HydrophobicContact CB-CD1 4.25Å; L266-L320 HydrophobicContact CD1-CB 3.78Å; H316-L320 PolarHBondContact O-N 3.43Å; Y317-L320 PolarHBondContact O-N 3.49Å; L320-S323 PolarHBondContact O-N 3.25Å; L320-A324 PolarHBondContact O-N 3.42Å
321L98.8Very high98.3Very high2 Ų247.4 Ų47.41%0.0125%0.246CC..Hα-helixtrans-65.1-45.8179.6-73.5165.2000112.4L266 I279 Y317 S323 A324 G325 F326 F329 I341 A343L266-L321 HydrophobicContact CD1-CD2 4.15Å; L266-L321 HydrophobicContact CD1-CG 4.37Å; L266-L321 HydrophobicContact CD2-CD2 3.74Å; I279-L321 HydrophobicContact CD1-CD2 4.24Å; I279-L321 HydrophobicContact CG2-CD2 3.52Å; Y317-L321 WeakPolarHBondContact O-CB 3.45Å; Y317-L321 WeakPolarHBondContact O-CG 3.25Å; Y317-L321 PolarHBondContact O-N 2.89Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.36Å; L321-A324 PolarHBondContact O-N 3.36Å; L321-G325 PolarHBondContact O-N 3.15Å; L321-F326 HydrophobicContact CB-CB 4.3Å; L321-F326 HydrophobicContact CD2-CD2 3.95Å; L321-F326 HydrophobicContact CD2-CE2 4.5Å; L321-F326 HydrophobicContact CD2-CG 4.42Å; L321-F326 WeakPolarHBondContact O-CB 3.18Å; L321-F326 PolarHBondContact O-N 3.24Å; L321-F329 HydrophobicContact CD1-CD2 3.84Å; L321-F329 HydrophobicContact CD1-CE2 3.83Å; L321-I341 HydrophobicContact CD1-CG2 3.79Å; L321-A343 HydrophobicContact CD1-CB 4.14Å
322S98.4Very high98.3Very high51 Ų5151.9 Ų51.936%0.35727%0.265SS..Hα-helixtrans-63.7-35.5177.8-70.90000112.4H318 A324 G325 F326H318-S322 PolarHBondContact CD2-OG 2.82Å; H318-S322 VanDerWaalsContact CD2-OG 3.25Å; H318-S322 PolarHBondContact NE2-OG 3.02Å; H318-S322 VanDerWaalsContact NE2-OG 3.16Å; H318-S322 WeakPolarHBondContact O-CB 3.39Å; H318-S322 PolarHBondContact O-N 3.35Å; H318-S322 PolarHBondContact O-OG 3.18Å; S322-A324 VanDerWaalsContact C-N 3.34Å; S322-G325 PolarHBondContact O-N 3.1Å; S322-G325 VanDerWaalsContact O-N 3.11Å; S322-F326 WeakPolarHBondContact CA-O 3.41Å
323S98.3Very high98.2Very high91 Ų9157.3 Ų57.364%0.63629%0.289SS*.Hα-helixtrans-66.8-36.1177.4-59.30000112.1M319 L320 L321 G325M319-S323 VanDerWaalsContact O-CB 3.31Å; M319-S323 WeakPolarHBondContact O-CB 3.44Å; M319-S323 PolarHBondContact O-N 2.99Å; M319-S323 PolarHBondContact O-OG 3.05Å; L320-S323 PolarHBondContact O-N 3.25Å; L321-S323 VanDerWaalsContact C-N 3.3Å; L321-S323 PolarHBondContact O-N 3.36Å; S323-G325 PolarHBondContact O-N 3.06Å
324A98.3Very high98Very high8 Ų858.9 Ų58.97%0.06630%0.299CS..Hα-helixtrans-71.6-14.7172.700000113.6L266 E267 Y270 L320 L321 S322 F326L266-A324 HydrophobicContact CB-CB 3.65Å; E267-A324 HydrophobicContact CG-CB 4.07Å; Y270-A324 WeakPolarHBondContact CB-O 3.39Å; Y270-A324 VanDerWaalsContact CD1-O 3.26Å; Y270-A324 WeakPolarHBondContact CD1-O 3.26Å; L320-A324 PolarHBondContact O-N 3.42Å; L321-A324 PolarHBondContact O-N 3.36Å; S322-A324 VanDerWaalsContact C-N 3.34Å; A324-F326 HydrophobicContact CB-CD2 4.23Å
325G98.2Very high97.6Very high21 Ų2162.5 Ų62.522%0.21634%0.337CS..THydrogen-bonded Turntrans110.4-4.8176.400000115.2Y270 L321 S322 S323Y270-G325 WeakPolarHBondContact CE2-O 3.19Å; L321-G325 PolarHBondContact O-N 3.15Å; S322-G325 PolarHBondContact O-N 3.1Å; S322-G325 VanDerWaalsContact O-N 3.11Å; S323-G325 PolarHBondContact O-N 3.06Å
326F98.5Very high97.2Very high3 Ų361.5 Ų61.51%0.01334%0.336CS..  trans-65.9151.7174.6-68.5-80000111.5I269 Y270 I279 L321 S322 A324 A343 R344I269-F326 HydrophobicContact CB-CZ 4.38Å; I269-F326 HydrophobicContact CG2-CZ 3.92Å; Y270-F326 HydrophobicContact CD2-CD1 4.06Å; Y270-F326 HydrophobicContact CD2-CD2 4.09Å; Y270-F326 HydrophobicContact CD2-CE1 4.13Å; Y270-F326 HydrophobicContact CD2-CE2 4.17Å; Y270-F326 HydrophobicContact CD2-CG 4.03Å; Y270-F326 HydrophobicContact CD2-CZ 4.18Å; Y270-F326 HydrophobicContact CG-CE2 4.47Å; I279-F326 HydrophobicContact CB-CE1 4.13Å; I279-F326 HydrophobicContact CB-CZ 4.09Å; I279-F326 HydrophobicContact CG2-CD1 3.91Å; I279-F326 HydrophobicContact CG2-CD2 4.18Å; I279-F326 HydrophobicContact CG2-CE1 3.84Å; I279-F326 HydrophobicContact CG2-CE2 4.1Å; I279-F326 HydrophobicContact CG2-CG 4.09Å; I279-F326 HydrophobicContact CG2-CZ 3.94Å; L321-F326 HydrophobicContact CB-CB 4.3Å; L321-F326 HydrophobicContact CD2-CD2 3.95Å; L321-F326 HydrophobicContact CD2-CE2 4.5Å; L321-F326 HydrophobicContact CD2-CG 4.42Å; L321-F326 WeakPolarHBondContact O-CB 3.18Å; L321-F326 PolarHBondContact O-N 3.24Å; S322-F326 WeakPolarHBondContact CA-O 3.41Å; A324-F326 HydrophobicContact CB-CD2 4.23Å; F326-A343 HydrophobicContact CB-CB 3.92Å; F326-A343 HydrophobicContact CG-CB 4.48Å; F326-R344 CarbonylContact C-O 3.56Å; F326-R344 WeakPolarHBondContact CA-O 3.36Å
327R96.8Very high96.9Very high170 Ų17063.7 Ų63.764%0.64235%0.347SS*.EExtended strand (participates in β ladder)trans-134.4-174.5-176.1-59.6-174.2179.7-161.8-0.2110.1F329 A343 R344R327-F329 PolarHBondContact O-N 2.94Å; R327-F329 VanDerWaalsContact O-N 3.1Å; R327-A343 CarbonylContact O-C 3.36Å; R327-R344 PolarHBondContact N-O 3.04Å; R327-R344 PolarHBondContact O-N 2.86Å
328D96.4Very high96.8Very high116 Ų11664.5 Ų64.562%0.6235%0.35SS*.EExtended strand (participates in β ladder)trans49.939.5177.9-56.9-27000113.4Q330 R344D328-Q330 PolarHBondContact O-N 3.19Å; D328-R344 HydrophobicContact CB-CB 4.14Å; D328-R344 HydrophobicContact CB-CG 4.12Å
329F98.3Very high96.8Very high46 Ų4661.3 Ų61.320%0.20234%0.336CS..EExtended strand (participates in β ladder)trans-60.7125.2-178.2177.2-86.1000111P314 H318 L321 R327 F331 I341P314-F329 WeakPolarHBondContact O-CZ 3.49Å; H318-F329 VanDerWaalsContact CA-CE2 3.45Å; H318-F329 HydrophobicContact CB-CD1 3.97Å; H318-F329 HydrophobicContact CB-CD2 3.82Å; H318-F329 HydrophobicContact CB-CE1 3.85Å; H318-F329 HydrophobicContact CB-CE2 3.65Å; H318-F329 HydrophobicContact CB-CG 3.98Å; H318-F329 HydrophobicContact CB-CZ 3.69Å; H318-F329 VanDerWaalsContact CD2-CB 3.46Å; H318-F329 WeakPolarHBondContact CD2-CB 3.41Å; H318-F329 AromaticContact CD2-CD1 3.94Å; H318-F329 AromaticContact CD2-CD2 3.82Å; H318-F329 AromaticContact CD2-CG 3.47Å; H318-F329 VanDerWaalsContact CD2-CG 3.47Å; H318-F329 WeakPolarHBondContact CD2-CG 3.45Å; H318-F329 AromaticContact CG-CD1 3.99Å; H318-F329 AromaticContact CG-CG 3.9Å; L321-F329 HydrophobicContact CD1-CD2 3.84Å; L321-F329 HydrophobicContact CD1-CE2 3.83Å; R327-F329 PolarHBondContact O-N 2.94Å; R327-F329 VanDerWaalsContact O-N 3.1Å; F329-F331 HydrophobicContact CE1-CB 4.34Å; F329-F331 AromaticContact CE1-CD1 3.94Å; F329-F331 HydrophobicContact CE1-CD1 3.94Å; F329-F331 HydrophobicContact CZ-CB 4.34Å; F329-I341 HydrophobicContact CD2-CG2 3.82Å; F329-I341 HydrophobicContact CE2-CB 4.49Å; F329-I341 HydrophobicContact CE2-CG1 4.49Å; F329-I341 HydrophobicContact CE2-CG2 3.26Å; F329-I341 HydrophobicContact CZ-CD1 4.45Å; F329-I341 HydrophobicContact CZ-CG1 4.33Å; F329-I341 HydrophobicContact CZ-CG2 3.84Å
330Q98.4Very high96.8Very high106 Ų10656.5 Ų56.550%0.49531%0.313SS..EExtended strand (participates in β ladder)trans-134.8144.3172.4-65.817656.400108.8F175 D328 I341 L342F175-Q330 HydrophobicContact CE1-CB 3.85Å; F175-Q330 HydrophobicContact CZ-CB 4.1Å; D328-Q330 PolarHBondContact O-N 3.19Å; Q330-I341 CarbonylContact O-C 3.44Å; Q330-I341 WeakPolarHBondContact O-CA 3.36Å; Q330-L342 PolarHBondContact N-O 2.72Å; Q330-L342 PolarHBondContact O-N 3.26Å
331F97.9Very high96.8Very high87 Ų8756 Ų5638%0.38231%0.31SS..EExtended strand (participates in β ladder)trans-132.5151.6169.381.9-83000110.3L285 P314 F329 K333 A340 I341L285-F331 HydrophobicContact CD1-CD2 3.91Å; P314-F331 HydrophobicContact CB-CD1 3.81Å; P314-F331 HydrophobicContact CB-CD2 4.16Å; P314-F331 HydrophobicContact CB-CE1 3.76Å; P314-F331 HydrophobicContact CB-CE2 4.12Å; P314-F331 HydrophobicContact CB-CG 4Å; P314-F331 HydrophobicContact CB-CZ 3.92Å; P314-F331 HydrophobicContact CG-CD1 4.45Å; P314-F331 HydrophobicContact CG-CD2 4Å; P314-F331 HydrophobicContact CG-CE1 4.16Å; P314-F331 HydrophobicContact CG-CE2 3.7Å; P314-F331 HydrophobicContact CG-CG 4.37Å; P314-F331 HydrophobicContact CG-CZ 3.78Å; F329-F331 HydrophobicContact CE1-CB 4.34Å; F329-F331 AromaticContact CE1-CD1 3.94Å; F329-F331 HydrophobicContact CE1-CD1 3.94Å; F329-F331 HydrophobicContact CZ-CB 4.34Å; F331-K333 HydrophobicContact CE2-CG 4.37Å; F331-A340 CarbonylContact C-O 3.5Å; F331-A340 VanDerWaalsContact CA-O 3.27Å; F331-A340 WeakPolarHBondContact CA-O 3.32Å; F331-I341 HydrophobicContact CB-CB 4.4Å; F331-I341 HydrophobicContact CB-CG1 3.59Å
332K98.3Very high96.8Very high97 Ų9756.6 Ų56.642%0.42231%0.313SS..EExtended strand (participates in β ladder)trans-134.8125.5177.9-74.5178.5178.6-175.20109.8A174 F175 D339 A340A174-K332 HydrophobicContact CB-CB 4.35Å; A174-K332 HydrophobicContact CB-CD 4.42Å; A174-K332 WeakPolarHBondContact O-CD 3.28Å; A174-K332 WeakPolarHBondContact O-CE 3.49Å; A174-K332 PolarHBondContact O-NZ 3.49Å; F175-K332 HydrophobicContact CD1-CD 4.23Å; F175-K332 HydrophobicContact CE1-CD 3.85Å; F175-K332 HydrophobicContact CE1-CG 4.12Å; F175-K332 HydrophobicContact CE2-CD 4.45Å; F175-K332 HydrophobicContact CZ-CB 4.3Å; F175-K332 HydrophobicContact CZ-CD 3.97Å; F175-K332 HydrophobicContact CZ-CG 3.9Å; K332-D339 WeakPolarHBondContact O-CB 3.33Å; K332-A340 PolarHBondContact N-O 2.6Å; K332-A340 PolarHBondContact O-N 2.88Å
333K96Very high96.9Very high115 Ų11554.2 Ų54.250%0.530%0.297SS..  trans-71.1127.9166.6-67.7-166172.7-170.80109.1D287 F331 D339D287-K333 IonicContact OD1-NZ 2.72Å; D287-K333 PolarHBondContact OD1-NZ 3.31Å; F331-K333 HydrophobicContact CE2-CG 4.37Å; K333-D339 WeakPolarHBondContact CA-OD1 3.33Å
334T95.6Very high96.9Very high40 Ų4053.1 Ų53.125%0.24528%0.278CS..  trans-86.3-15.7-177.766.60000112.8S170 V171 A336 Y338 D339S170-T334 WeakPolarHBondContact O-CG2 3.3Å; V171-T334 HydrophobicContact CG1-CG2 4.11Å; T334-A336 WeakPolarHBondContact OG1-CB 3.31Å; T334-A336 PolarHBondContact OG1-N 2.72Å; T334-A336 VanDerWaalsContact OG1-N 3.07Å; T334-Y338 WeakPolarHBondContact CG2-O 3.25Å; T334-Y338 PolarHBondContact OG1-O 3.46Å; T334-D339 PolarHBondContact N-OD1 2.79Å
335G89.9Confident96.7Very high82 Ų8256.1 Ų56.185%0.84529%0.29SS*.SBendtrans79.50.8-168.800000113.6
336A90.3Very high96.6Very high48 Ų4857.9 Ų57.940%0.39729%0.294SS..SBendtrans-103.2-159.7171.200000110.7T334T334-A336 WeakPolarHBondContact OG1-CB 3.31Å; T334-A336 PolarHBondContact OG1-N 2.72Å; T334-A336 VanDerWaalsContact OG1-N 3.07Å
337I91Very high96.5Very high63 Ų6360.8 Ų60.832%0.32331%0.309SS..SBendtrans-74-34.3-176.5-63.5176.5000112.3S284 L295 Y299S284-I337 PolarHBondContact OG-O 3.02Å; L295-I337 HydrophobicContact CD2-CD1 4.49Å; L295-I337 HydrophobicContact CD2-CG1 4.23Å; L295-I337 HydrophobicContact CD2-CG2 4.24Å; Y299-I337 HydrophobicContact CE2-CG2 3.55Å
338Y98.2Very high96.5Very high17 Ų1754.7 Ų54.77%0.06729%0.29CS..  trans-116.5148.5-177-51.6-67.1000111.4V163 W164 N167 R252 Y299 T334V163-Y338 HydrophobicContact CG1-CD2 4.13Å; V163-Y338 HydrophobicContact CG1-CE2 3.2Å; W164-Y338 HydrophobicContact CZ3-CD2 4.36Å; N167-Y338 HydrophobicContact CB-CD2 3.81Å; N167-Y338 HydrophobicContact CB-CE2 4.29Å; R252-Y338 VanDerWaalsContact CD-CE1 3.48Å; R252-Y338 HydrophobicContact CG-CE1 4.37Å; R252-Y338 VanDerWaalsContact NE-CE1 3.33Å; Y299-Y338 HydrophobicContact CE2-CE1 4.42Å; T334-Y338 WeakPolarHBondContact CG2-O 3.25Å; T334-Y338 PolarHBondContact OG1-O 3.46Å
339D98.3Very high96.5Very high13 Ų1351.1 Ų51.17%0.0727%0.271CS..EExtended strand (participates in β ladder)trans-117.8166.1179.4-60.5-43.7000110.1I282 E283 L285 K332 K333 T334I282-D339 WeakPolarHBondContact CA-O 3.5Å; E283-D339 PolarHBondContact N-O 2.82Å; E283-D339 PolarHBondContact O-N 3.21Å; L285-D339 HydrophobicContact CD1-CB 3.48Å; L285-D339 VanDerWaalsContact CD1-CB 3.48Å; L285-D339 HydrophobicContact CG-CB 3.8Å; K332-D339 WeakPolarHBondContact O-CB 3.33Å; K333-D339 WeakPolarHBondContact CA-OD1 3.33Å; T334-D339 PolarHBondContact N-OD1 2.79Å
340A98.8Very high96.4Very high0 Ų051.4 Ų51.40%028%0.275CS..EExtended strand (participates in β ladder)trans-119.4136.5-177.100000111.2A174 F175 L280 F331 K332A174-A340 HydrophobicContact CB-CB 3.54Å; F175-A340 HydrophobicContact CD2-CB 4.21Å; F175-A340 HydrophobicContact CE2-CB 3.86Å; L280-A340 HydrophobicContact CD1-CB 4.21Å; F331-A340 CarbonylContact C-O 3.5Å; F331-A340 VanDerWaalsContact CA-O 3.27Å; F331-A340 WeakPolarHBondContact CA-O 3.32Å; K332-A340 PolarHBondContact N-O 2.6Å; K332-A340 PolarHBondContact O-N 2.88Å
341I98.9Very high96.3Very high1 Ų147.8 Ų47.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-119.7127.7173.6-66.2161.7000108L280 V281 L285 Y317 L321 F329 Q330 F331L280-I341 CarbonylContact C-O 3.59Å; L280-I341 VanDerWaalsContact CA-O 3.3Å; L280-I341 WeakPolarHBondContact CA-O 3.49Å; V281-I341 HydrophobicContact CB-CB 4.16Å; V281-I341 PolarHBondContact N-O 3.35Å; V281-I341 PolarHBondContact O-N 2.94Å; L285-I341 HydrophobicContact CD1-CD1 4.28Å; L285-I341 HydrophobicContact CD1-CG1 4.33Å; L285-I341 HydrophobicContact CD2-CD1 3.83Å; Y317-I341 HydrophobicContact CD2-CD1 3.56Å; Y317-I341 HydrophobicContact CE2-CD1 4.37Å; Y317-I341 HydrophobicContact CG-CD1 3.67Å; L321-I341 HydrophobicContact CD1-CG2 3.79Å; F329-I341 HydrophobicContact CD2-CG2 3.82Å; F329-I341 HydrophobicContact CE2-CB 4.49Å; F329-I341 HydrophobicContact CE2-CG1 4.49Å; F329-I341 HydrophobicContact CE2-CG2 3.26Å; F329-I341 HydrophobicContact CZ-CD1 4.45Å; F329-I341 HydrophobicContact CZ-CG1 4.33Å; F329-I341 HydrophobicContact CZ-CG2 3.84Å; Q330-I341 CarbonylContact O-C 3.44Å; Q330-I341 WeakPolarHBondContact O-CA 3.36Å; F331-I341 HydrophobicContact CB-CB 4.4Å; F331-I341 HydrophobicContact CB-CG1 3.59Å
342L98.8Very high96.2Very high14 Ų1445 Ų457%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-116.2129.3172.7-178.165.5000109.4F175 F180 L247 I279 L280 Q330F175-L342 HydrophobicContact CB-CD2 3.99Å; F175-L342 HydrophobicContact CD1-CB 4.09Å; F175-L342 HydrophobicContact CD1-CD2 3.87Å; F175-L342 HydrophobicContact CD2-CB 3.81Å; F175-L342 HydrophobicContact CD2-CD2 4.45Å; F175-L342 HydrophobicContact CE1-CB 4.01Å; F175-L342 HydrophobicContact CE1-CD2 4.48Å; F175-L342 HydrophobicContact CE2-CB 3.72Å; F175-L342 HydrophobicContact CG-CB 3.99Å; F175-L342 HydrophobicContact CG-CD2 3.85Å; F175-L342 HydrophobicContact CZ-CB 3.82Å; F180-L342 HydrophobicContact CE2-CD1 4.25Å; F180-L342 HydrophobicContact CZ-CD1 4.2Å; L247-L342 HydrophobicContact CD1-CD1 3.88Å; I279-L342 WeakPolarHBondContact O-CA 3.47Å; L280-L342 HydrophobicContact CD1-CB 4.45Å; Q330-L342 PolarHBondContact N-O 2.72Å; Q330-L342 PolarHBondContact O-N 3.26Å
343A98.7Very high96Very high1 Ų141 Ų411%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-131.2150.7170.400000110.5G278 I279 L321 F326 R327G278-A343 CarbonylContact C-O 3.52Å; G278-A343 WeakPolarHBondContact CA-O 3.31Å; I279-A343 HydrophobicContact CG2-CB 4.04Å; I279-A343 PolarHBondContact N-O 3.09Å; I279-A343 PolarHBondContact O-N 3.46Å; L321-A343 HydrophobicContact CD1-CB 4.14Å; F326-A343 HydrophobicContact CB-CB 3.92Å; F326-A343 HydrophobicContact CG-CB 4.48Å; R327-A343 CarbonylContact O-C 3.36Å
344R98.2Very high96Very high67 Ų6734.8 Ų34.825%0.25322%0.217SC..EExtended strand (participates in β ladder)trans-114.9155.4-174.5-56.9-61.7-73.7-113.61111.5G276 G277 F326 R327 D328G276-R344 PolarHBondContact O-NE 3.01Å; G276-R344 PolarHBondContact O-NH2 3.44Å; G277-R344 WeakPolarHBondContact O-CA 3.15Å; G277-R344 PolarHBondContact O-NE 3.44Å; F326-R344 CarbonylContact C-O 3.56Å; F326-R344 WeakPolarHBondContact CA-O 3.36Å; R327-R344 PolarHBondContact N-O 3.04Å; R327-R344 PolarHBondContact O-N 2.86Å; D328-R344 HydrophobicContact CB-CB 4.14Å; D328-R344 HydrophobicContact CB-CG 4.12Å
345K95.4Very high96.1Very high72 Ų7234.4 Ų34.431%0.31321%0.214SC..  trans-80.90174.4175.5161.9-177.6173.90112.6Y270 C273 G277Y270-K345 HydrophobicContact CD2-CD 4.3Å; Y270-K345 HydrophobicContact CD2-CG 4.2Å; Y270-K345 HydrophobicContact CE2-CB 4.19Å; Y270-K345 HydrophobicContact CE2-CD 4.05Å; Y270-K345 HydrophobicContact CE2-CG 3.6Å; Y270-K345 WeakPolarHBondContact O-CE 3.48Å; Y270-K345 PolarHBondContact O-NZ 3.42Å; C273-K345 HydrophobicContact CB-CD 4.18Å; C273-K345 WeakPolarHBondContact O-CD 3.31Å; C273-K345 WeakPolarHBondContact O-CE 3.49Å; C273-K345 PolarHBondContact O-NZ 3.23Å; G277-K345 PolarHBondContact O-N 3.31Å

Retrieved 345 of 345 residues in 944.9 ms (Link to these results)

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