A0A087XJ98_POEFO Loading...

Transketolase

Catalyzes the transfer of a two-carbon ketol group from a ketose donor to an aldose acceptor, via a covalent intermediate with the cofactor thiamine pyrophosphate.

AlphaFold DB , UniProt , Accession A0A087XJ98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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
1C32.5Very low54.2Low185 Ų185133.2 Ų133.2100%1.2570%0.699SS**  0115.30-68.50000108.5G3C1-G3 PolarHBondContact O-N 3.04Å; C1-G3 VanDerWaalsContact O-N 3.1Å
2I34.7Very low57.4Low180 Ų180127.9 Ų127.992%0.92367%0.672SS**  trans-76.294.9176-59.7170000105.5
3G35.9Very low60.2Low62 Ų62127.2 Ų127.264%0.63966%0.663SS**  trans-66.2137.8174.200000109.7C1 M5C1-G3 PolarHBondContact O-N 3.04Å; C1-G3 VanDerWaalsContact O-N 3.1Å; G3-M5 PolarHBondContact O-N 2.7Å
4Q36Very low62.7Low195 Ų195126.4 Ų126.491%0.91165%0.654SS**  trans-44.9128.7179.5-71.3169.9-40.900111.4E6Q4-E6 PolarHBondContact O-N 2.86Å; Q4-E6 VanDerWaalsContact O-N 3.14Å
5M41Very low64.9Low153 Ų153118.8 Ų118.875%0.75462%0.616SS**  trans-59.9113.3167.1-70.3170.671.600107.4G3 D7G3-M5 PolarHBondContact O-N 2.7Å; M5-D7 VanDerWaalsContact C-N 3.34Å; M5-D7 PolarHBondContact O-N 2.7Å
6E48.2Very low66.9Low181 Ų181111.4 Ų111.485%0.84658%0.577SS**  trans-64.7102.7160.8-80.8-176.4157.800106.3Q4 Y8Q4-E6 PolarHBondContact O-N 2.86Å; Q4-E6 VanDerWaalsContact O-N 3.14Å; E6-Y8 PolarHBondContact O-N 3.29Å
7D56.5Low68.7Low119 Ų119107.5 Ų107.564%0.63656%0.556SS**  trans-56.4133.4175.4-79.1-36.7000109.5M5 H9M5-D7 VanDerWaalsContact C-N 3.34Å; M5-D7 PolarHBondContact O-N 2.7Å; D7-H9 PolarHBondContact O-CD2 3.01Å; D7-H9 VanDerWaalsContact O-CD2 3.26Å; D7-H9 PolarHBondContact O-N 2.97Å
8Y67.5Low70.4Confident84 Ų84101.8 Ų101.833%0.32953%0.527SS..  trans-57.2107.4175.6164.5-115000110.2E6 K10 P11 K230 S233E6-Y8 PolarHBondContact O-N 3.29Å; Y8-K10 HydrophobicContact CE1-CB 3.92Å; Y8-K10 HydrophobicContact CE1-CG 4.41Å; Y8-K10 PolarHBondContact O-N 2.88Å; Y8-P11 WeakPolarHBondContact OH-CD 3.33Å; Y8-K230 HydrophobicContact CE1-CB 4.42Å; Y8-K230 HydrophobicContact CE1-CG 4.11Å; Y8-K230 WeakPolarHBondContact OH-CA 3.37Å; Y8-K230 WeakPolarHBondContact OH-CB 3.44Å; Y8-S233 WeakPolarHBondContact CD2-OG 3.42Å; Y8-S233 WeakPolarHBondContact CE2-OG 3.24Å
9H69.8Low71.8Confident162 Ų16296.4 Ų96.475%0.7550%0.499SS*.  trans-82104168.5-70.2-71.9000109D7D7-H9 PolarHBondContact O-CD2 3.01Å; D7-H9 VanDerWaalsContact O-CD2 3.26Å; D7-H9 PolarHBondContact O-N 2.97Å
10K83.9Confident73.2Confident133 Ų13396 Ų9658%0.57849%0.491SS*.PPolyproline II helixtrans-50.8126.2171.3-174.1-179.9179-178.60109Y8 D12 E226Y8-K10 HydrophobicContact CE1-CB 3.92Å; Y8-K10 HydrophobicContact CE1-CG 4.41Å; Y8-K10 PolarHBondContact O-N 2.88Å; K10-D12 PolarHBondContact O-N 2.83Å; K10-E226 IonicContact NZ-OE1 3.21Å
11P89.9Confident74.3Confident11 Ų1191.8 Ų91.87%0.07147%0.47CS..PPolyproline II helixtrans-60.9137.4-179.225.1-33.9000110Y8 T15 V16 C229Y8-P11 WeakPolarHBondContact OH-CD 3.33Å; P11-T15 HydrophobicContact CB-CG2 3.86Å; P11-V16 HydrophobicContact CB-CG2 4.18Å; P11-V16 HydrophobicContact CG-CG2 3.96Å; P11-C229 HydrophobicContact CG-CB 3.9Å
12D93.4Very high77.5Confident70 Ų7083.2 Ų83.237%0.37441%0.411SS..PPolyproline II helixtrans-62.5161.1174.471.153.9000111.3K10 Q14 T15 V16 K287K10-D12 PolarHBondContact O-N 2.83Å; D12-Q14 PolarHBondContact O-N 3.23Å; D12-Q14 WeakPolarHBondContact OD1-CA 3.4Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.01Å; D12-Q14 PolarHBondContact OD1-N 3.33Å; D12-T15 VanDerWaalsContact CG-OG1 3.27Å; D12-T15 WeakPolarHBondContact O-CB 3.24Å; D12-T15 PolarHBondContact O-N 2.65Å; D12-T15 VanDerWaalsContact O-N 3.13Å; D12-T15 PolarHBondContact OD1-N 2.98Å; D12-T15 PolarHBondContact OD1-OG1 3.09Å; D12-T15 PolarHBondContact OD2-OG1 3.39Å; D12-T15 VanDerWaalsContact OD2-OG1 3.1Å; D12-V16 WeakPolarHBondContact O-CG2 3.28Å; D12-V16 PolarHBondContact O-N 3.01Å; D12-K287 IonicContact OD2-NZ 3.7Å; D12-K287 PolarHBondContact OD2-NZ 3.3Å
13Q93.6Very high80.5Confident118 Ų11874.7 Ų74.755%0.55137%0.367SS*.Hα-helixtrans-62.2-28.6-177.3-72.6-62.2-36.600113.4Q17Q13-Q17 WeakPolarHBondContact O-CB 3.39Å; Q13-Q17 PolarHBondContact O-N 3.47Å
14Q95.1Very high83.5Confident117 Ų11772.4 Ų72.455%0.54734%0.341SS..Hα-helixtrans-71.5-38.9176.4-63.5-174.2-11.800111.2D12 Q17 A18 C285 K287D12-Q14 PolarHBondContact O-N 3.23Å; D12-Q14 WeakPolarHBondContact OD1-CA 3.4Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.01Å; D12-Q14 PolarHBondContact OD1-N 3.33Å; Q14-Q17 PolarHBondContact O-N 3.48Å; Q14-A18 VanDerWaalsContact O-CB 3.32Å; Q14-A18 WeakPolarHBondContact O-CB 3.46Å; Q14-A18 PolarHBondContact O-N 3.29Å; Q14-C285 PolarHBondContact O-SG 2.86Å; Q14-K287 HydrophobicContact CB-CB 4.16Å; Q14-K287 HydrophobicContact CB-CD 4.2Å
15T96.1Very high86.5Confident12 Ų1266.8 Ų66.87%0.07431%0.311CS..Hα-helixtrans-62.5-48.7174.2-58.60000110.3P11 D12 Q17 A18 L19 K287 L289P11-T15 HydrophobicContact CB-CG2 3.86Å; D12-T15 VanDerWaalsContact CG-OG1 3.27Å; D12-T15 WeakPolarHBondContact O-CB 3.24Å; D12-T15 PolarHBondContact O-N 2.65Å; D12-T15 VanDerWaalsContact O-N 3.13Å; D12-T15 PolarHBondContact OD1-N 2.98Å; D12-T15 PolarHBondContact OD1-OG1 3.09Å; D12-T15 PolarHBondContact OD2-OG1 3.39Å; D12-T15 VanDerWaalsContact OD2-OG1 3.1Å; T15-Q17 VanDerWaalsContact C-N 3.33Å; T15-Q17 PolarHBondContact O-N 2.98Å; T15-A18 PolarHBondContact O-N 3.39Å; T15-L19 HydrophobicContact CG2-CD1 4.19Å; T15-L19 WeakPolarHBondContact O-CG 3.39Å; T15-L19 PolarHBondContact O-N 3.44Å; T15-K287 WeakPolarHBondContact OG1-CE 3.45Å; T15-K287 PolarHBondContact OG1-NZ 3.12Å; T15-L289 HydrophobicContact CG2-CD1 4.29Å; T15-L289 HydrophobicContact CG2-CD2 4.15Å
16V96.8Very high89.3Confident0 Ų059.5 Ų59.50%028%0.276CS..Hα-helixtrans-55.3-47.5174.3166.10000111.2P11 D12 L19 R20 V225 E226P11-V16 HydrophobicContact CB-CG2 4.18Å; P11-V16 HydrophobicContact CG-CG2 3.96Å; D12-V16 WeakPolarHBondContact O-CG2 3.28Å; D12-V16 PolarHBondContact O-N 3.01Å; V16-L19 PolarHBondContact O-N 2.91Å; V16-R20 VanDerWaalsContact CG1-CZ 3.48Å; V16-R20 WeakPolarHBondContact O-CG 3.5Å; V16-R20 PolarHBondContact O-N 2.77Å; V16-R20 VanDerWaalsContact O-N 3.09Å; V16-V225 HydrophobicContact CB-CG2 4.39Å; V16-V225 HydrophobicContact CG1-CG2 3.68Å; V16-E226 HydrophobicContact CB-CG 4.5Å; V16-E226 HydrophobicContact CG1-CG 3.98Å; V16-E226 HydrophobicContact CG2-CG 3.64Å
17Q97.8Very high91.7Very high45 Ų4551.3 Ų51.321%0.2124%0.237CC..Hα-helixtrans-67.7-39.1179.2-171.75748.700112.7Q13 Q14 T15 L19 R20 N21 V283Q13-Q17 WeakPolarHBondContact O-CB 3.39Å; Q13-Q17 PolarHBondContact O-N 3.47Å; Q14-Q17 PolarHBondContact O-N 3.48Å; T15-Q17 VanDerWaalsContact C-N 3.33Å; T15-Q17 PolarHBondContact O-N 2.98Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.26Å; Q17-R20 PolarHBondContact O-N 3.19Å; Q17-N21 PolarHBondContact NE2-OD1 2.79Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 3.06Å; Q17-V283 HydrophobicContact CG-CB 4.21Å
18A97.9Very high93.7Very high5 Ų546 Ų464%0.04121%0.209CC..Hα-helixtrans-61.1-42.317500000111.4Q14 T15 N21 I22 K287 L289Q14-A18 VanDerWaalsContact O-CB 3.32Å; Q14-A18 WeakPolarHBondContact O-CB 3.46Å; Q14-A18 PolarHBondContact O-N 3.29Å; T15-A18 PolarHBondContact O-N 3.39Å; A18-N21 WeakPolarHBondContact O-CB 3.32Å; A18-N21 PolarHBondContact O-N 3.24Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 3.36Å; A18-K287 HydrophobicContact CB-CB 4.42Å; A18-L289 HydrophobicContact CB-CD1 3.79Å; A18-L289 HydrophobicContact CB-CG 3.97Å
19L98.1Very high95.2Very high0 Ų042.5 Ų42.50%020%0.195CC..Hα-helixtrans-62.9-40.7175.2-69.8166.9000112.5T15 V16 Q17 I22 A23 S53 V54 F57 H58 V225 L289T15-L19 HydrophobicContact CG2-CD1 4.19Å; T15-L19 WeakPolarHBondContact O-CG 3.39Å; T15-L19 PolarHBondContact O-N 3.44Å; V16-L19 PolarHBondContact O-N 2.91Å; Q17-L19 VanDerWaalsContact C-N 3.33Å; Q17-L19 PolarHBondContact O-N 3.26Å; L19-I22 PolarHBondContact O-N 2.72Å; L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 3.45Å; L19-S53 WeakPolarHBondContact CA-OG 3.39Å; L19-S53 PolarHBondContact O-OG 3.15Å; L19-V54 HydrophobicContact CD1-CG2 4.32Å; L19-F57 HydrophobicContact CD2-CB 3.92Å; L19-H58 HydrophobicContact CD1-CB 4.3Å; L19-H58 HydrophobicContact CD2-CB 4.27Å; L19-V225 HydrophobicContact CB-CB 4.34Å; L19-V225 HydrophobicContact CB-CG1 4.17Å; L19-L289 HydrophobicContact CD2-CD1 3.62Å; L19-L289 HydrophobicContact CG-CD1 3.63Å
20R98.3Very high96.6Very high88 Ų8834.8 Ų34.833%0.33216%0.16SC..Hα-helixtrans-63-41.2173.6-71173.8179.6148.64.7112.1V16 Q17 A23 T24 V225 E226V16-R20 VanDerWaalsContact CG1-CZ 3.48Å; V16-R20 WeakPolarHBondContact O-CG 3.5Å; V16-R20 PolarHBondContact O-N 2.77Å; V16-R20 VanDerWaalsContact O-N 3.09Å; Q17-R20 PolarHBondContact O-N 3.19Å; R20-A23 PolarHBondContact O-N 2.68Å; R20-T24 PolarHBondContact O-N 2.85Å; R20-T24 PolarHBondContact O-OG1 3.4Å; R20-V225 HydrophobicContact CG-CG1 4.11Å; R20-V225 HydrophobicContact CG-CG2 4Å; R20-E226 IonicContact NH2-OE2 2.72Å; R20-E226 PolarHBondContact NH2-OE2 2.8Å
21N98.3Very high97.3Very high8 Ų828.4 Ų28.44%0.04313%0.132CC..Hα-helixtrans-64.4-43.2176-71.6-10.3000111.6Q17 A18 T24 R25 I282 V283Q17-N21 PolarHBondContact NE2-OD1 2.79Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 3.06Å; A18-N21 WeakPolarHBondContact O-CB 3.32Å; A18-N21 PolarHBondContact O-N 3.24Å; N21-T24 WeakPolarHBondContact O-CB 3.39Å; N21-T24 PolarHBondContact O-N 2.9Å; N21-R25 PolarHBondContact O-N 3.17Å; N21-I282 HydrophobicContact CB-CG2 4.31Å; N21-V283 PolarHBondContact ND2-O 3.36Å; N21-V283 PolarHBondContact OD1-N 3.42Å; N21-V283 VanDerWaalsContact OD1-N 3.15Å
22I98.4Very high97.7Very high5 Ų531 Ų313%0.02614%0.142CC..Hα-helixtrans-59.5-52.3174.8-70.3164000109.9A18 L19 T24 R25 L26 S53 F57 E92 L289A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 3.36Å; L19-I22 PolarHBondContact O-N 2.72Å; I22-T24 PolarHBondContact O-N 3.18Å; I22-T24 VanDerWaalsContact O-N 3.14Å; I22-R25 WeakPolarHBondContact O-CA 3.49Å; I22-R25 WeakPolarHBondContact O-CB 3.49Å; I22-R25 PolarHBondContact O-N 3.43Å; I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 HydrophobicContact CG2-CG 4.15Å; I22-L26 WeakPolarHBondContact O-CG 3.32Å; I22-L26 PolarHBondContact O-N 3.1Å; I22-S53 WeakPolarHBondContact CB-OG 3.48Å; I22-S53 WeakPolarHBondContact CG2-OG 3.13Å; I22-F57 HydrophobicContact CD1-CB 3.9Å; I22-F57 HydrophobicContact CD1-CD1 3.83Å; I22-F57 HydrophobicContact CD1-CD2 4.18Å; I22-F57 HydrophobicContact CD1-CE1 4.41Å; I22-F57 HydrophobicContact CD1-CG 3.7Å; I22-F57 HydrophobicContact CG2-CD2 3.75Å; I22-F57 HydrophobicContact CG2-CE2 3.68Å; I22-F57 HydrophobicContact CG2-CG 4.37Å; I22-F57 HydrophobicContact CG2-CZ 4.25Å; I22-E92 HydrophobicContact CG2-CG 4.2Å; I22-L289 HydrophobicContact CD1-CB 4.3Å; I22-L289 HydrophobicContact CD1-CD1 4.17Å
23A98.8Very high97.9Very high0 Ų027.8 Ų27.80%013%0.126CC..Hα-helixtrans-53.3-39.6177.500000112L19 R20 L26 R27 A49 E50L19-A23 WeakPolarHBondContact O-CB 3.35Å; L19-A23 PolarHBondContact O-N 3.45Å; R20-A23 PolarHBondContact O-N 2.68Å; A23-L26 PolarHBondContact O-N 2.86Å; A23-R27 WeakPolarHBondContact O-CG 3.48Å; A23-R27 PolarHBondContact O-N 3.48Å; A23-R27 VanDerWaalsContact O-N 3.09Å; A23-A49 HydrophobicContact CB-CB 4.13Å; A23-A49 WeakPolarHBondContact CB-O 3.29Å; A23-A49 WeakPolarHBondContact O-CB 3.37Å; A23-E50 HydrophobicContact CB-CG 4.03Å
24T98.7Very high98.2Very high14 Ų1422.2 Ų22.29%0.08610%0.099CC..Hα-helixtrans-65.6-43175.7-56.50000112.5R20 N21 I22 R27 I28 L278 I282R20-T24 PolarHBondContact O-N 2.85Å; R20-T24 PolarHBondContact O-OG1 3.4Å; N21-T24 WeakPolarHBondContact O-CB 3.39Å; N21-T24 PolarHBondContact O-N 2.9Å; I22-T24 PolarHBondContact O-N 3.18Å; I22-T24 VanDerWaalsContact O-N 3.14Å; T24-R27 WeakPolarHBondContact O-CB 3.37Å; T24-R27 PolarHBondContact O-N 3Å; T24-I28 HydrophobicContact CG2-CD1 4.2Å; T24-I28 WeakPolarHBondContact O-CG1 3.38Å; T24-I28 PolarHBondContact O-N 3.13Å; T24-L278 HydrophobicContact CG2-CB 4.04Å; T24-L278 HydrophobicContact CG2-CD2 4.43Å; T24-L278 WeakPolarHBondContact CG2-O 3.25Å; T24-I282 HydrophobicContact CG2-CD1 4.25Å; T24-I282 HydrophobicContact CG2-CG1 3.73Å
25R98.6Very high98.3Very high77 Ų7718 Ų1829%0.2918%0.082SC..Hα-helixtrans-62.8-39.6173.1-72.2-170.5-67.8-85.57112.6N21 I22 R27 I28 N29 E92 I282N21-R25 PolarHBondContact O-N 3.17Å; I22-R25 WeakPolarHBondContact O-CA 3.49Å; I22-R25 WeakPolarHBondContact O-CB 3.49Å; I22-R25 PolarHBondContact O-N 3.43Å; R25-R27 VanDerWaalsContact C-N 3.33Å; R25-R27 PolarHBondContact O-N 3.1Å; R25-I28 PolarHBondContact O-N 2.67Å; R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.05Å; R25-E92 IonicContact CZ-OE1 2.98Å; R25-E92 VanDerWaalsContact NE-CD 3.32Å; R25-E92 IonicContact NE-OE1 2.67Å; R25-E92 PolarHBondContact NE-OE1 3.47Å; R25-E92 IonicContact NE-OE2 3.21Å; R25-E92 PolarHBondContact NE-OE2 3.26Å; R25-E92 IonicContact NH2-OE1 2.78Å; R25-E92 PolarHBondContact NH2-OE1 3.3Å; R25-I282 HydrophobicContact CG-CD1 4Å
26L98.8Very high98.5Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-60.7-40.9176-63.9-176000111.9I22 A23 S30 M52 V85 A88 V89 E92I22-L26 HydrophobicContact CG2-CD1 4.14Å; I22-L26 HydrophobicContact CG2-CG 4.15Å; I22-L26 WeakPolarHBondContact O-CG 3.32Å; I22-L26 PolarHBondContact O-N 3.1Å; A23-L26 PolarHBondContact O-N 2.86Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.13Å; L26-S30 PolarHBondContact O-OG 3.16Å; L26-M52 HydrophobicContact CD1-CB 3.87Å; L26-V85 HydrophobicContact CB-CG2 3.96Å; L26-V85 HydrophobicContact CD1-CG2 4.39Å; L26-A88 HydrophobicContact CD2-CB 3.73Å; L26-V89 HydrophobicContact CD1-CG2 3.67Å; L26-V89 HydrophobicContact CD2-CB 4.4Å; L26-V89 HydrophobicContact CD2-CG2 3.74Å; L26-V89 HydrophobicContact CG-CG2 4.35Å; L26-E92 HydrophobicContact CD2-CB 4.46Å
27R98.8Very high98.5Very high10 Ų1021.5 Ų21.54%0.03811%0.112CC..Hα-helixtrans-60.8-51.8171.9-69.7-173.4175.686.47.5111.7A23 T24 R25 N29 S30 I31 C46 A49 E50 K250 L278A23-R27 WeakPolarHBondContact O-CG 3.48Å; A23-R27 PolarHBondContact O-N 3.48Å; A23-R27 VanDerWaalsContact O-N 3.09Å; T24-R27 WeakPolarHBondContact O-CB 3.37Å; T24-R27 PolarHBondContact O-N 3Å; R25-R27 VanDerWaalsContact C-N 3.33Å; R25-R27 PolarHBondContact O-N 3.1Å; R27-N29 VanDerWaalsContact C-N 3.33Å; R27-N29 PolarHBondContact O-N 2.99Å; R27-S30 PolarHBondContact O-N 3.17Å; R27-I31 WeakPolarHBondContact O-CG1 3.28Å; R27-I31 PolarHBondContact O-N 2.91Å; R27-C46 HydrophobicContact CG-CB 4.28Å; R27-C46 PolarHBondContact NE-O 2.86Å; R27-C46 PolarHBondContact NH2-O 3.18Å; R27-A49 HydrophobicContact CG-CB 3.71Å; R27-E50 IonicContact CZ-OE1 3.95Å; R27-E50 IonicContact CZ-OE2 3.68Å; R27-E50 IonicContact NH1-OE1 3.16Å; R27-E50 PolarHBondContact NH1-OE1 3.1Å; R27-E50 IonicContact NH1-OE2 2.72Å; R27-E50 IonicContact NH2-OE1 3.52Å; R27-E50 PolarHBondContact NH2-OE1 2.86Å; R27-E50 IonicContact NH2-OE2 2.75Å; R27-E50 PolarHBondContact NH2-OE2 3.2Å; R27-K250 WeakPolarHBondContact CD-O 3.44Å; R27-K250 PolarHBondContact NE-O 2.8Å; R27-L278 HydrophobicContact CB-CD1 3.98Å
28I98.8Very high98.5Very high8 Ų822.1 Ų22.14%0.04113%0.13CC..Hα-helixtrans-55.3-50.2-179.5-70.8162.5000110.4T24 R25 S30 I31 K32 I275 L278 Q279 I282T24-I28 HydrophobicContact CG2-CD1 4.2Å; T24-I28 WeakPolarHBondContact O-CG1 3.38Å; T24-I28 PolarHBondContact O-N 3.13Å; R25-I28 PolarHBondContact O-N 2.67Å; I28-S30 PolarHBondContact O-N 3.19Å; I28-I31 PolarHBondContact O-N 2.61Å; I28-K32 HydrophobicContact CG2-CD 4.04Å; I28-K32 HydrophobicContact CG2-CG 4.31Å; I28-K32 WeakPolarHBondContact O-CG 3.15Å; I28-K32 PolarHBondContact O-N 2.74Å; I28-I275 HydrophobicContact CG2-CG1 4.33Å; I28-I275 HydrophobicContact CG2-CG2 3.94Å; I28-L278 HydrophobicContact CD1-CB 3.9Å; I28-L278 HydrophobicContact CG1-CB 3.67Å; I28-L278 HydrophobicContact CG1-CD1 3.99Å; I28-Q279 HydrophobicContact CD1-CG 3.74Å; I28-I282 HydrophobicContact CD1-CD1 4.15Å
29N98.8Very high98.6Very high9 Ų923.7 Ų23.75%0.04814%0.141CC..Hα-helixtrans-67.3-36.1-177.4-75.2-14.4000112.4R25 R27 A33 A88 E98 L101R25-N29 WeakPolarHBondContact O-CB 3.45Å; R25-N29 PolarHBondContact O-N 3.05Å; R27-N29 VanDerWaalsContact C-N 3.33Å; R27-N29 PolarHBondContact O-N 2.99Å; N29-A33 VanDerWaalsContact O-CB 3.24Å; N29-A33 WeakPolarHBondContact O-CB 3.47Å; N29-A33 PolarHBondContact O-N 2.85Å; N29-A88 HydrophobicContact CB-CB 3.76Å; N29-E98 PolarHBondContact OD1-OE1 2.85Å; N29-L101 HydrophobicContact CB-CD1 3.86Å
30S98.8Very high98.6Very high0 Ų023.8 Ų23.80%014%0.142CC..Hα-helixtrans-64.1-42.1173-58.70000112.1L26 R27 I28 T34 V85L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 3.13Å; L26-S30 PolarHBondContact O-OG 3.16Å; R27-S30 PolarHBondContact O-N 3.17Å; I28-S30 PolarHBondContact O-N 3.19Å; S30-T34 WeakPolarHBondContact O-CB 3.32Å; S30-T34 WeakPolarHBondContact O-CG2 3.22Å; S30-T34 PolarHBondContact O-N 3.24Å; S30-T34 VanDerWaalsContact O-N 3.08Å; S30-T34 PolarHBondContact O-OG1 3.16Å; S30-V85 WeakPolarHBondContact OG-CA 3.48Å; S30-V85 PolarHBondContact OG-N 3.27Å
31I98.8Very high98.6Very high0 Ų020.7 Ų20.70%013%0.131CC..Hα-helixtrans-65-51.1176.3-67164.3000110R27 I28 A33 T34 T35 P42 I252 L266 V274 I275 L278R27-I31 WeakPolarHBondContact O-CG1 3.28Å; R27-I31 PolarHBondContact O-N 2.91Å; I28-I31 PolarHBondContact O-N 2.61Å; I31-A33 PolarHBondContact O-N 3.34Å; I31-T34 PolarHBondContact O-N 3.21Å; I31-T34 PolarHBondContact O-OG1 3.07Å; I31-T35 WeakPolarHBondContact O-CB 3.33Å; I31-T35 PolarHBondContact O-N 3.4Å; I31-T35 PolarHBondContact O-OG1 3.14Å; I31-P42 HydrophobicContact CG1-CB 4.16Å; I31-I252 HydrophobicContact CD1-CD1 4.08Å; I31-I252 HydrophobicContact CD1-CG1 4.09Å; I31-I252 HydrophobicContact CG1-CD1 4.31Å; I31-L266 HydrophobicContact CD1-CD1 4.44Å; I31-L266 HydrophobicContact CG1-CD1 4.43Å; I31-L266 HydrophobicContact CG2-CD1 3.88Å; I31-L266 HydrophobicContact CG2-CG 4.49Å; I31-V274 HydrophobicContact CD1-CG1 3.86Å; I31-I275 HydrophobicContact CG2-CD1 4.01Å; I31-I275 HydrophobicContact CG2-CG1 4.1Å; I31-L278 HydrophobicContact CD1-CD1 3.75Å
32K98.6Very high98.6Very high64 Ų6420.3 Ų20.328%0.27813%0.129SC..Hα-helixtrans-53.2-51177.1-75177.5179.2173.40111.8I28 A36 E98 L102 I275I28-K32 HydrophobicContact CG2-CD 4.04Å; I28-K32 HydrophobicContact CG2-CG 4.31Å; I28-K32 WeakPolarHBondContact O-CG 3.15Å; I28-K32 PolarHBondContact O-N 2.74Å; K32-A36 VanDerWaalsContact O-CB 3.25Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.11Å; K32-E98 IonicContact NZ-OE1 3.58Å; K32-E98 PolarHBondContact NZ-OE1 3.3Å; K32-E98 VanDerWaalsContact NZ-OE1 3.07Å; K32-L102 HydrophobicContact CB-CD2 4.03Å; K32-I275 HydrophobicContact CG-CD1 3.62Å
33A98.8Very high98.6Very high4 Ų420.1 Ų20.13%0.03313%0.128CC..Hα-helixtrans-63.2-46.7-176.800000112N29 I31 A36 A37 L101 L104N29-A33 VanDerWaalsContact O-CB 3.24Å; N29-A33 WeakPolarHBondContact O-CB 3.47Å; N29-A33 PolarHBondContact O-N 2.85Å; I31-A33 PolarHBondContact O-N 3.34Å; A33-A36 PolarHBondContact O-N 3.18Å; A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 3.12Å; A33-L101 HydrophobicContact CB-CB 4.47Å; A33-L101 VanDerWaalsContact CB-O 3.26Å; A33-L101 WeakPolarHBondContact CB-O 3.34Å; A33-L104 HydrophobicContact CB-CB 4.18Å; A33-L104 HydrophobicContact CB-CD2 3.9Å
34T98.8Very high98.6Very high0 Ų020.1 Ų20.10%013%0.128CC..Hα-helixtrans-71.4-36.2-17954.50000113S30 I31 A37 G38 S39 P84 L104 P265S30-T34 WeakPolarHBondContact O-CB 3.32Å; S30-T34 WeakPolarHBondContact O-CG2 3.22Å; S30-T34 PolarHBondContact O-N 3.24Å; S30-T34 VanDerWaalsContact O-N 3.08Å; S30-T34 PolarHBondContact O-OG1 3.16Å; I31-T34 PolarHBondContact O-N 3.21Å; I31-T34 PolarHBondContact O-OG1 3.07Å; T34-A37 PolarHBondContact O-N 3.1Å; T34-G38 PolarHBondContact O-N 3.47Å; T34-G38 VanDerWaalsContact O-N 3.1Å; T34-S39 PolarHBondContact O-N 3.09Å; T34-P84 HydrophobicContact CG2-CB 4.21Å; T34-P84 HydrophobicContact CG2-CG 3.73Å; T34-L104 HydrophobicContact CG2-CD2 3.89Å; T34-P265 WeakPolarHBondContact O-CB 3.38Å
35T98.6Very high98.6Very high30 Ų3019.5 Ų19.518%0.18412%0.124CC..Hα-helixtrans-65.2-44.1171.7-67.90000111.1I31 A37 G38 L266I31-T35 WeakPolarHBondContact O-CB 3.33Å; I31-T35 PolarHBondContact O-N 3.4Å; I31-T35 PolarHBondContact O-OG1 3.14Å; T35-A37 VanDerWaalsContact C-N 3.3Å; T35-A37 PolarHBondContact O-N 3.46Å; T35-G38 PolarHBondContact O-N 2.89Å; T35-G38 VanDerWaalsContact O-N 3.11Å; T35-L266 PolarHBondContact OG1-O 2.96Å
36A98.3Very high98.6Very high57 Ų5715.8 Ų15.847%0.47111%0.11SC..Hα-helixtrans-61.9-37176.500000112.6K32 A33 G38 L102K32-A36 VanDerWaalsContact O-CB 3.25Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.11Å; A33-A36 PolarHBondContact O-N 3.18Å; A36-G38 VanDerWaalsContact C-N 3.3Å; A36-L102 HydrophobicContact CB-CB 4.45Å; A36-L102 HydrophobicContact CB-CD2 4.25Å
37A98.3Very high98.6Very high28 Ų2815.8 Ų15.823%0.23111%0.11CC..Hα-helixtrans-76.2-13.7176.300000114A33 T34 T35 S39 L104 R105A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 3.12Å; T34-A37 PolarHBondContact O-N 3.1Å; T35-A37 VanDerWaalsContact C-N 3.3Å; T35-A37 PolarHBondContact O-N 3.46Å; A37-S39 PolarHBondContact O-N 3.12Å; A37-S39 VanDerWaalsContact O-N 3.12Å; A37-L104 HydrophobicContact CB-CB 4.34Å; A37-L104 HydrophobicContact CB-CD2 4.25Å; A37-L104 HydrophobicContact CB-CG 4.24Å; A37-L104 WeakPolarHBondContact CB-O 3.39Å; A37-R105 HydrophobicContact CB-CB 4.37Å
38G98.3Very high98.6Very high57 Ų5715.3 Ų15.359%0.58811%0.108SC*.THydrogen-bonded Turntrans62.913.1-172.200000114.2T34 T35 A36T34-G38 PolarHBondContact O-N 3.47Å; T34-G38 VanDerWaalsContact O-N 3.1Å; T35-G38 PolarHBondContact O-N 2.89Å; T35-G38 VanDerWaalsContact O-N 3.11Å; A36-G38 VanDerWaalsContact C-N 3.3Å
39S98.4Very high98.7Very high38 Ų3815 Ų1527%0.26611%0.107SC..  trans-160.8158.8178.665.80000111.3T34 A37 R105T34-S39 PolarHBondContact O-N 3.09Å; A37-S39 PolarHBondContact O-N 3.12Å; A37-S39 VanDerWaalsContact O-N 3.12Å; S39-R105 WeakPolarHBondContact OG-CD 3.32Å; S39-R105 PolarHBondContact OG-NH1 3.1Å
40G98.1Very high98.7Very high2 Ų215.3 Ų15.32%0.02111%0.108CC..SBendtrans129.5-170.2175.800000113.8P42 G263 K264G40-P42 VanDerWaalsContact C-CD 3.43Å; G40-P42 VanDerWaalsContact O-CD 3.27Å; G40-P42 WeakPolarHBondContact O-CD 3.43Å; G40-G263 CarbonylContact O-C 3.01Å; G40-G263 VanDerWaalsContact O-CA 3.31Å; G40-G263 WeakPolarHBondContact O-CA 3.37Å; G40-K264 PolarHBondContact O-N 3.27Å
41H98.7Very high98.7Very high24 Ų2415.5 Ų15.511%0.11111%0.109CC..  trans-122.959.2-164-48.286.9000113.2T43 S44 C45 H81 H262 G263H41-T43 VanDerWaalsContact C-N 3.27Å; H41-T43 PolarHBondContact O-N 3.44Å; H41-S44 PolarHBondContact O-N 3.04Å; H41-S44 VanDerWaalsContact O-N 3.09Å; H41-C45 PolarHBondContact O-N 3.49Å; H41-C45 VanDerWaalsContact O-N 3.14Å; H41-C45 PolarHBondContact O-SG 3.04Å; H41-H81 WeakPolarHBondContact CB-O 3.49Å; H41-H81 AromaticContact CG-CD2 3.98Å; H41-H81 PolarHBondContact ND1-O 2.86Å; H41-H262 AromaticContact CD2-CE1 3.85Å; H41-H262 AromaticContact CD2-NE2 3.71Å; H41-G263 WeakPolarHBondContact CD2-CA 3.47Å
42P98.6Very high98.7Very high0 Ų015.5 Ų15.50%011%0.109CC..Hα-helixtrans-59.6-36.9-175.824.2-33.2000112.6I31 G40 S44 C45 C46 K264I31-P42 HydrophobicContact CG1-CB 4.16Å; G40-P42 VanDerWaalsContact C-CD 3.43Å; G40-P42 VanDerWaalsContact O-CD 3.27Å; G40-P42 WeakPolarHBondContact O-CD 3.43Å; P42-S44 VanDerWaalsContact C-N 3.29Å; P42-S44 PolarHBondContact O-N 3.37Å; P42-C45 WeakPolarHBondContact O-CB 3.49Å; P42-C45 PolarHBondContact O-N 3.24Å; P42-C46 WeakPolarHBondContact O-CB 3.43Å; P42-C46 PolarHBondContact O-N 3.35Å; P42-C46 PolarHBondContact O-SG 3.43Å; P42-K264 WeakPolarHBondContact CD-O 3.49Å; P42-K264 WeakPolarHBondContact CG-O 3.39Å
43T98.8Very high98.7Very high1 Ų112.4 Ų12.41%0.00610%0.096CC..Hα-helixtrans-65.4-32.4178.955.40000113.5H41 S47 G249 I252 A255 W261H41-T43 VanDerWaalsContact C-N 3.27Å; H41-T43 PolarHBondContact O-N 3.44Å; T43-S47 PolarHBondContact O-N 3.35Å; T43-G249 PolarHBondContact O-N 3.45Å; T43-I252 HydrophobicContact CG2-CD1 4.36Å; T43-A255 HydrophobicContact CG2-CB 3.87Å; T43-W261 HydrophobicContact CG2-CB 3.85Å; T43-W261 PolarHBondContact OG1-O 3.4Å
44S98.8Very high98.7Very high0 Ų012.2 Ų12.20%09%0.094CC..Hα-helixtrans-80.9-23178.7-50.80000112.1H41 P42 S47 K79 K248 H262H41-S44 PolarHBondContact O-N 3.04Å; H41-S44 VanDerWaalsContact O-N 3.09Å; P42-S44 VanDerWaalsContact C-N 3.29Å; P42-S44 PolarHBondContact O-N 3.37Å; S44-S47 PolarHBondContact O-OG 2.85Å; S44-K79 PolarHBondContact O-NZ 3.08Å; S44-K248 WeakPolarHBondContact OG-CE 3.13Å; S44-H262 PolarHBondContact OG-ND1 3.39Å
45C98.9Very high98.7Very high0 Ų012.2 Ų12.20%09%0.094CC..Hα-helixtrans-73.6-41.4169.3-62.50000111.1H41 P42 S47 V48 A49 V85H41-C45 PolarHBondContact O-N 3.49Å; H41-C45 VanDerWaalsContact O-N 3.14Å; H41-C45 PolarHBondContact O-SG 3.04Å; P42-C45 WeakPolarHBondContact O-CB 3.49Å; P42-C45 PolarHBondContact O-N 3.24Å; C45-S47 PolarHBondContact O-N 2.88Å; C45-V48 VanDerWaalsContact O-CG2 3.26Å; C45-V48 WeakPolarHBondContact O-CG2 3.45Å; C45-V48 PolarHBondContact O-N 3.29Å; C45-A49 PolarHBondContact O-N 3.34Å; C45-V85 HydrophobicContact CB-CB 3.89Å
46C98.8Very high98.7Very high0 Ų010.9 Ų10.90%09%0.086CC..Hα-helixtrans-69.4-28.6-174.5-71.70000114.4R27 P42 V48 K250R27-C46 HydrophobicContact CG-CB 4.28Å; R27-C46 PolarHBondContact NE-O 2.86Å; R27-C46 PolarHBondContact NH2-O 3.18Å; P42-C46 WeakPolarHBondContact O-CB 3.43Å; P42-C46 PolarHBondContact O-N 3.35Å; P42-C46 PolarHBondContact O-SG 3.43Å; C46-V48 PolarHBondContact O-N 3.07Å; C46-K250 WeakPolarHBondContact CB-O 3.49Å
47S98.9Very high98.7Very high0 Ų08.6 Ų8.60%07%0.065CC..THydrogen-bonded Turntrans-65.3-28.317655.80000112.8T43 S44 C45 D187 H223 T246 I247T43-S47 PolarHBondContact O-N 3.35Å; S44-S47 PolarHBondContact O-OG 2.85Å; C45-S47 PolarHBondContact O-N 2.88Å; S47-D187 WeakPolarHBondContact CB-OD1 3.31Å; S47-D187 PolarHBondContact OG-OD1 2.73Å; S47-D187 PolarHBondContact OG-OD2 3.34Å; S47-H223 PolarHBondContact O-CE1 2.57Å; S47-H223 VanDerWaalsContact O-CE1 3.32Å; S47-T246 WeakPolarHBondContact O-CG2 3.34Å; S47-I247 WeakPolarHBondContact CA-O 3.23Å; S47-I247 WeakPolarHBondContact CB-O 3.2Å
48V98.9Very high98.6Very high0 Ų010.7 Ų10.70%07%0.07CC..THydrogen-bonded Turntrans-107.68.3-172.4-59.20000113.7C45 C46 E50 I51 M52 K79 V85 L156 D187C45-V48 VanDerWaalsContact O-CG2 3.26Å; C45-V48 WeakPolarHBondContact O-CG2 3.45Å; C45-V48 PolarHBondContact O-N 3.29Å; C46-V48 PolarHBondContact O-N 3.07Å; V48-E50 PolarHBondContact O-N 2.93Å; V48-I51 HydrophobicContact CB-CB 4.47Å; V48-I51 HydrophobicContact CB-CD1 4.42Å; V48-I51 HydrophobicContact CG1-CD1 4.32Å; V48-I51 WeakPolarHBondContact O-CB 3.3Å; V48-I51 PolarHBondContact O-N 2.85Å; V48-I51 VanDerWaalsContact O-N 3.15Å; V48-M52 HydrophobicContact CB-CG 4.42Å; V48-M52 HydrophobicContact CG2-CG 4.07Å; V48-M52 VanDerWaalsContact O-CG 3.29Å; V48-M52 WeakPolarHBondContact O-CG 3.42Å; V48-M52 PolarHBondContact O-N 2.87Å; V48-K79 HydrophobicContact CG1-CD 4.33Å; V48-V85 HydrophobicContact CG2-CG1 3.9Å; V48-L156 HydrophobicContact CB-CD2 3.95Å; V48-L156 HydrophobicContact CG1-CD1 4.18Å; V48-L156 HydrophobicContact CG1-CD2 3.99Å; V48-L156 HydrophobicContact CG1-CG 4.48Å; V48-L156 HydrophobicContact CG2-CD2 4.16Å; V48-D187 HydrophobicContact CG1-CB 3.71Å; V48-D187 VanDerWaalsContact CG1-OD2 3.31Å; V48-D187 WeakPolarHBondContact CG1-OD2 3.39Å
49A98.9Very high98.5Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-62.5-40.7-171.400000113.3A23 R27 C45 S53A23-A49 HydrophobicContact CB-CB 4.13Å; A23-A49 WeakPolarHBondContact CB-O 3.29Å; A23-A49 WeakPolarHBondContact O-CB 3.37Å; R27-A49 HydrophobicContact CG-CB 3.71Å; C45-A49 PolarHBondContact O-N 3.34Å; A49-S53 VanDerWaalsContact O-CB 3.31Å; A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 2.76Å
50E98.9Very high98.5Very high17 Ų177.7 Ų7.78%0.0794%0.039CC..Hα-helixtrans-67.4-41.1173.4-71.374.9-15300112A23 R27 V48 M52 S53 V54 H223 V225 L228A23-E50 HydrophobicContact CB-CG 4.03Å; R27-E50 IonicContact CZ-OE1 3.95Å; R27-E50 IonicContact CZ-OE2 3.68Å; R27-E50 IonicContact NH1-OE1 3.16Å; R27-E50 PolarHBondContact NH1-OE1 3.1Å; R27-E50 IonicContact NH1-OE2 2.72Å; R27-E50 IonicContact NH2-OE1 3.52Å; R27-E50 PolarHBondContact NH2-OE1 2.86Å; R27-E50 IonicContact NH2-OE2 2.75Å; R27-E50 PolarHBondContact NH2-OE2 3.2Å; V48-E50 PolarHBondContact O-N 2.93Å; E50-M52 PolarHBondContact O-N 3.21Å; E50-S53 WeakPolarHBondContact O-CB 3.23Å; E50-S53 PolarHBondContact O-N 2.84Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.03Å; E50-H223 IonicContact OE2-CE1 2.84Å; E50-H223 IonicContact OE2-CG 3.73Å; E50-H223 IonicContact OE2-ND1 2.73Å; E50-H223 PolarHBondContact OE2-ND1 3.12Å; E50-V225 HydrophobicContact CB-CG1 4.09Å; E50-V225 HydrophobicContact CG-CG1 3.87Å; E50-L228 HydrophobicContact CB-CD1 3.99Å
51I98.9Very high98.6Very high3 Ų311.2 Ų11.22%0.0155%0.054CC..Hα-helixtrans-57.7-50.6176.4-62.7168.3000110.1V48 S53 V54 L55 L156 I185 L228 A244 T246V48-I51 HydrophobicContact CB-CB 4.47Å; V48-I51 HydrophobicContact CB-CD1 4.42Å; V48-I51 HydrophobicContact CG1-CD1 4.32Å; V48-I51 WeakPolarHBondContact O-CB 3.3Å; V48-I51 PolarHBondContact O-N 2.85Å; V48-I51 VanDerWaalsContact O-N 3.15Å; I51-S53 PolarHBondContact O-N 3.42Å; I51-V54 PolarHBondContact O-N 3.19Å; I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CB 3.47Å; I51-L55 VanDerWaalsContact O-CG 3.27Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.37Å; I51-L156 HydrophobicContact CD1-CD1 4.47Å; I51-L156 HydrophobicContact CG2-CD1 4.12Å; I51-I185 HydrophobicContact CD1-CG2 3.97Å; I51-I185 HydrophobicContact CG1-CG2 4.47Å; I51-I185 HydrophobicContact CG2-CG2 3.89Å; I51-L228 HydrophobicContact CG1-CD1 4.06Å; I51-L228 HydrophobicContact CG1-CD2 4.15Å; I51-A244 HydrophobicContact CD1-CB 3.81Å; I51-T246 HydrophobicContact CD1-CG2 4.21Å
52M98.9Very high98.5Very high0 Ų010.2 Ų10.20%05%0.049CC..Hα-helixtrans-62.5-42.2178.5-65-61.8-6500111.9L26 V48 E50 F56 F75 V85 L86 V89 L156L26-M52 HydrophobicContact CD1-CB 3.87Å; V48-M52 HydrophobicContact CB-CG 4.42Å; V48-M52 HydrophobicContact CG2-CG 4.07Å; V48-M52 VanDerWaalsContact O-CG 3.29Å; V48-M52 WeakPolarHBondContact O-CG 3.42Å; V48-M52 PolarHBondContact O-N 2.87Å; E50-M52 PolarHBondContact O-N 3.21Å; M52-F56 HydrophobicContact CE-CD2 4.06Å; M52-F56 HydrophobicContact CE-CE2 3.45Å; M52-F56 VanDerWaalsContact CE-CE2 3.45Å; M52-F56 HydrophobicContact CE-CZ 4.18Å; M52-F56 WeakPolarHBondContact O-CD2 3.46Å; M52-F56 PolarHBondContact O-N 2.66Å; M52-F56 HydrophobicContact SD-CE2 4.36Å; M52-F75 HydrophobicContact CE-CE1 3.77Å; M52-F75 HydrophobicContact CE-CZ 3.72Å; M52-F75 HydrophobicContact SD-CE1 4.15Å; M52-F75 HydrophobicContact SD-CE2 4.14Å; M52-F75 HydrophobicContact SD-CZ 3.46Å; M52-F75 WeakPolarHBondContact SD-CZ 3.46Å; M52-V85 HydrophobicContact CB-CG2 4.45Å; M52-V85 HydrophobicContact CE-CG1 4.3Å; M52-V85 HydrophobicContact CG-CG1 3.85Å; M52-V85 HydrophobicContact CG-CG2 4.08Å; M52-V85 HydrophobicContact SD-CG1 4.32Å; M52-L86 HydrophobicContact CE-CB 4.42Å; M52-L86 HydrophobicContact CE-CD1 4.26Å; M52-V89 HydrophobicContact CB-CG2 4.02Å; M52-V89 HydrophobicContact CE-CG2 3.86Å; M52-L156 HydrophobicContact SD-CD2 3.69Å
53S98.8Very high98.5Very high0 Ų013.1 Ų13.10%06%0.06CC..Hα-helixtrans-59.2-50.3176.3-179.30000111.8L19 I22 A49 E50 I51 F57L19-S53 WeakPolarHBondContact CA-OG 3.39Å; L19-S53 PolarHBondContact O-OG 3.15Å; I22-S53 WeakPolarHBondContact CB-OG 3.48Å; I22-S53 WeakPolarHBondContact CG2-OG 3.13Å; A49-S53 VanDerWaalsContact O-CB 3.31Å; A49-S53 WeakPolarHBondContact O-CB 3.49Å; A49-S53 PolarHBondContact O-N 2.76Å; E50-S53 WeakPolarHBondContact O-CB 3.23Å; E50-S53 PolarHBondContact O-N 2.84Å; I51-S53 PolarHBondContact O-N 3.42Å; S53-F57 WeakPolarHBondContact O-CB 3.47Å; S53-F57 WeakPolarHBondContact O-CD2 3.27Å; S53-F57 PolarHBondContact O-N 3.26Å
54V98.8Very high98.4Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-69.4-37.6-178.2175.10000112.2L19 E50 I51 H58 S59 V225 L228 L232L19-V54 HydrophobicContact CD1-CG2 4.32Å; E50-V54 WeakPolarHBondContact O-CG2 3.38Å; E50-V54 PolarHBondContact O-N 3.03Å; I51-V54 PolarHBondContact O-N 3.19Å; V54-H58 WeakPolarHBondContact O-CB 3.49Å; V54-H58 PolarHBondContact O-N 3.04Å; V54-S59 PolarHBondContact O-N 3.08Å; V54-S59 PolarHBondContact O-OG 3.14Å; V54-V225 HydrophobicContact CG2-CB 3.92Å; V54-V225 HydrophobicContact CG2-CG1 4.09Å; V54-L228 HydrophobicContact CB-CB 4.14Å; V54-L228 HydrophobicContact CG1-CB 3.89Å; V54-L228 HydrophobicContact CG2-CB 3.98Å; V54-L228 HydrophobicContact CG2-CD1 4.17Å; V54-L232 HydrophobicContact CG1-CD1 3.73Å
55L98.6Very high98.3Very high0 Ų020.8 Ų20.80%010%0.098CC..Iπ-helixtrans-62.9-55177-74176000110.8I51 S59 M60 F75 F154 I185 L232I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.36Å; I51-L55 WeakPolarHBondContact O-CB 3.47Å; I51-L55 VanDerWaalsContact O-CG 3.27Å; I51-L55 WeakPolarHBondContact O-CG 3.37Å; I51-L55 PolarHBondContact O-N 3.37Å; L55-S59 PolarHBondContact O-N 3.01Å; L55-M60 HydrophobicContact CB-SD 4.26Å; L55-M60 VanDerWaalsContact O-CB 3.26Å; L55-M60 WeakPolarHBondContact O-CB 3.36Å; L55-M60 WeakPolarHBondContact O-CG 3.5Å; L55-M60 PolarHBondContact O-N 3.48Å; L55-F75 HydrophobicContact CD1-CD2 4.15Å; L55-F75 HydrophobicContact CD1-CE2 3.73Å; L55-F154 HydrophobicContact CD2-CB 4.46Å; L55-F154 HydrophobicContact CD2-CD1 3.55Å; L55-F154 HydrophobicContact CD2-CE1 3.96Å; L55-F154 HydrophobicContact CD2-CG 4.09Å; L55-I185 HydrophobicContact CD1-CD1 4.12Å; L55-I185 HydrophobicContact CD2-CD1 4.42Å; L55-L232 HydrophobicContact CD2-CD1 3.82Å; L55-L232 HydrophobicContact CD2-CD2 3.94Å
56F98.7Very high98.2Very high2 Ų223.9 Ų23.91%0.00911%0.114CC..Iπ-helixtrans-81.8-28.2-170.3-77.7-101.8000114.3M52 M60 Y62 F75 L86 V89 W90M52-F56 HydrophobicContact CE-CD2 4.06Å; M52-F56 HydrophobicContact CE-CE2 3.45Å; M52-F56 VanDerWaalsContact CE-CE2 3.45Å; M52-F56 HydrophobicContact CE-CZ 4.18Å; M52-F56 WeakPolarHBondContact O-CD2 3.46Å; M52-F56 PolarHBondContact O-N 2.66Å; M52-F56 HydrophobicContact SD-CE2 4.36Å; F56-M60 HydrophobicContact CD2-SD 4.32Å; F56-M60 HydrophobicContact CE2-SD 4.29Å; F56-M60 HydrophobicContact CG-SD 4.46Å; F56-M60 HydrophobicContact CZ-SD 4.43Å; F56-Y62 HydrophobicContact CB-CE1 4.47Å; F56-Y62 HydrophobicContact CD1-CE1 4.03Å; F56-Y62 HydrophobicContact CD1-CE2 4.45Å; F56-Y62 AromaticContact CD1-CZ 3.72Å; F56-Y62 WeakPolarHBondContact CD1-OH 3.38Å; F56-Y62 WeakPolarHBondContact O-CE1 3.29Å; F56-Y62 PolarHBondContact O-OH 2.96Å; F56-Y62 VanDerWaalsContact O-OH 3.07Å; F56-F75 HydrophobicContact CE2-CB 4.41Å; F56-F75 AromaticContact CE2-CD1 3.81Å; F56-F75 HydrophobicContact CE2-CD1 3.81Å; F56-F75 AromaticContact CE2-CD2 3.91Å; F56-F75 HydrophobicContact CE2-CD2 3.91Å; F56-F75 AromaticContact CE2-CE1 3.97Å; F56-F75 HydrophobicContact CE2-CE1 3.97Å; F56-F75 HydrophobicContact CE2-CE2 4.1Å; F56-F75 AromaticContact CE2-CG 3.76Å; F56-F75 HydrophobicContact CE2-CG 3.76Å; F56-F75 HydrophobicContact CE2-CZ 4.13Å; F56-F75 HydrophobicContact CZ-CB 3.94Å; F56-F75 AromaticContact CZ-CD1 3.51Å; F56-F75 HydrophobicContact CZ-CD1 3.51Å; F56-F75 HydrophobicContact CZ-CD2 4.25Å; F56-F75 HydrophobicContact CZ-CE1 4.03Å; F56-F75 AromaticContact CZ-CG 3.62Å; F56-F75 HydrophobicContact CZ-CG 3.62Å; F56-L86 HydrophobicContact CZ-CD1 3.94Å; F56-V89 HydrophobicContact CB-CG1 3.64Å; F56-V89 HydrophobicContact CD1-CG1 3.22Å; F56-V89 HydrophobicContact CD2-CG1 3.79Å; F56-V89 HydrophobicContact CD2-CG2 4.49Å; F56-V89 HydrophobicContact CE1-CG1 3.68Å; F56-V89 HydrophobicContact CE2-CG1 4.2Å; F56-V89 HydrophobicContact CG-CG1 3.27Å; F56-V89 HydrophobicContact CZ-CG1 4.14Å; F56-W90 HydrophobicContact CE1-CZ2 4.1Å; F56-W90 AromaticContact CE1-NE1 4Å
57F98.2Very high98.2Very high8 Ų824.3 Ų24.34%0.03512%0.117CC..Iπ-helixtrans-110.77-173.2-59.5-91.8000113.8L19 I22 S53 V89 E92 V93 L289L19-F57 HydrophobicContact CD2-CB 3.92Å; I22-F57 HydrophobicContact CD1-CB 3.9Å; I22-F57 HydrophobicContact CD1-CD1 3.83Å; I22-F57 HydrophobicContact CD1-CD2 4.18Å; I22-F57 HydrophobicContact CD1-CE1 4.41Å; I22-F57 HydrophobicContact CD1-CG 3.7Å; I22-F57 HydrophobicContact CG2-CD2 3.75Å; I22-F57 HydrophobicContact CG2-CE2 3.68Å; I22-F57 HydrophobicContact CG2-CG 4.37Å; I22-F57 HydrophobicContact CG2-CZ 4.25Å; S53-F57 WeakPolarHBondContact O-CB 3.47Å; S53-F57 WeakPolarHBondContact O-CD2 3.27Å; S53-F57 PolarHBondContact O-N 3.26Å; F57-V89 HydrophobicContact CE2-CG1 4.18Å; F57-E92 HydrophobicContact CE1-CB 4.38Å; F57-E92 HydrophobicContact CE1-CG 3.7Å; F57-E92 HydrophobicContact CE2-CG 4.14Å; F57-E92 HydrophobicContact CZ-CB 3.69Å; F57-E92 HydrophobicContact CZ-CG 3.3Å; F57-V93 HydrophobicContact CD1-CG1 4.37Å; F57-V93 HydrophobicContact CE1-CG1 3.44Å; F57-V93 VanDerWaalsContact CE1-CG1 3.44Å; F57-V93 HydrophobicContact CE2-CG1 4.49Å; F57-V93 HydrophobicContact CZ-CG1 3.49Å; F57-V93 VanDerWaalsContact CZ-CG1 3.49Å; F57-L289 HydrophobicContact CB-CB 4.15Å; F57-L289 HydrophobicContact CB-CD1 4.44Å
58H97.1Very high98.1Very high73 Ų7327.6 Ų27.634%0.33813%0.129SC..Iπ-helixtrans-145.5-45176.9-176.477.8000113.8L19 V54 C229L19-H58 HydrophobicContact CD1-CB 4.3Å; L19-H58 HydrophobicContact CD2-CB 4.27Å; V54-H58 WeakPolarHBondContact O-CB 3.49Å; V54-H58 PolarHBondContact O-N 3.04Å; H58-C229 PolarHBondContact CD2-SG 3.33Å
59S96.9Very high98.1Very high25 Ų2528.5 Ų28.518%0.17513%0.134CC..Iπ-helixtrans-95.7-42.3-166.1-50.10000114.4V54 L55 L232V54-S59 PolarHBondContact O-N 3.08Å; V54-S59 PolarHBondContact O-OG 3.14Å; L55-S59 PolarHBondContact O-N 3.01Å; S59-L232 WeakPolarHBondContact OG-CD1 3.44Å
60M98.3Very high98Very high6 Ų630.5 Ų30.53%0.0315%0.147CC..  trans-79.7146.1-177.4-70.8177.959.900111.6L55 F56 Y62 D73 F75 F154L55-M60 HydrophobicContact CB-SD 4.26Å; L55-M60 VanDerWaalsContact O-CB 3.26Å; L55-M60 WeakPolarHBondContact O-CB 3.36Å; L55-M60 WeakPolarHBondContact O-CG 3.5Å; L55-M60 PolarHBondContact O-N 3.48Å; F56-M60 HydrophobicContact CD2-SD 4.32Å; F56-M60 HydrophobicContact CE2-SD 4.29Å; F56-M60 HydrophobicContact CG-SD 4.46Å; F56-M60 HydrophobicContact CZ-SD 4.43Å; M60-Y62 HydrophobicContact CB-CD1 3.8Å; M60-Y62 HydrophobicContact CB-CE1 4Å; M60-Y62 HydrophobicContact CE-CD1 4.26Å; M60-D73 WeakPolarHBondContact CA-OD2 3.3Å; M60-D73 HydrophobicContact CB-CB 4.17Å; M60-D73 HydrophobicContact CE-CB 3.97Å; M60-D73 HydrophobicContact CG-CB 4.26Å; M60-F75 HydrophobicContact CE-CB 3.71Å; M60-F75 HydrophobicContact SD-CB 3.98Å; M60-F75 HydrophobicContact SD-CD2 4.36Å; M60-F75 HydrophobicContact SD-CG 4.5Å; M60-F154 HydrophobicContact CG-CD2 3.7Å; M60-F154 HydrophobicContact CG-CE2 3.63Å; M60-F154 HydrophobicContact CG-CG 4.42Å; M60-F154 HydrophobicContact CG-CZ 4.29Å; M60-F154 HydrophobicContact SD-CD2 4.19Å
61K98.4Very high98Very high76 Ų7630.4 Ų30.433%0.3315%0.147SC..BIsolated β-bridgetrans-108.3116.7170.8-56.5-174.7179.5-179.30110.6D73 A292 P294K61-D73 PolarHBondContact N-OD2 3.42Å; K61-D73 PolarHBondContact O-N 3.43Å; K61-A292 CarbonylContact C-O 3.58Å; K61-A292 WeakPolarHBondContact CA-O 3.2Å; K61-A292 HydrophobicContact CG-CB 4.23Å; K61-P294 HydrophobicContact CB-CB 4.28Å
62Y98.4Very high98Very high3 Ų330.4 Ų30.41%0.01215%0.147CC..  trans-161.4162.7-178.864.5-80.9000112F56 M60 P64 N72 W90 V93 P291 A292F56-Y62 HydrophobicContact CB-CE1 4.47Å; F56-Y62 HydrophobicContact CD1-CE1 4.03Å; F56-Y62 HydrophobicContact CD1-CE2 4.45Å; F56-Y62 AromaticContact CD1-CZ 3.72Å; F56-Y62 WeakPolarHBondContact CD1-OH 3.38Å; F56-Y62 WeakPolarHBondContact O-CE1 3.29Å; F56-Y62 PolarHBondContact O-OH 2.96Å; F56-Y62 VanDerWaalsContact O-OH 3.07Å; M60-Y62 HydrophobicContact CB-CD1 3.8Å; M60-Y62 HydrophobicContact CB-CE1 4Å; M60-Y62 HydrophobicContact CE-CD1 4.26Å; Y62-P64 HydrophobicContact CD2-CG 4.4Å; Y62-P64 HydrophobicContact CE2-CG 4.02Å; Y62-P64 WeakPolarHBondContact O-CD 3.44Å; Y62-N72 VanDerWaalsContact CA-OD1 3.27Å; Y62-N72 WeakPolarHBondContact CA-OD1 3.41Å; Y62-W90 AromaticContact CD2-CH2 3.93Å; Y62-W90 HydrophobicContact CD2-CH2 3.93Å; Y62-W90 HydrophobicContact CD2-CZ3 4.43Å; Y62-W90 AromaticContact CE2-CH2 3.91Å; Y62-W90 HydrophobicContact CE2-CH2 3.91Å; Y62-W90 HydrophobicContact CE2-CZ3 4.16Å; Y62-V93 WeakPolarHBondContact OH-CG1 3.34Å; Y62-P291 HydrophobicContact CD1-CB 3.83Å; Y62-P291 HydrophobicContact CD2-CB 4.5Å; Y62-P291 HydrophobicContact CD2-CG 4.45Å; Y62-P291 HydrophobicContact CE1-CB 3.34Å; Y62-P291 HydrophobicContact CE1-CG 4.03Å; Y62-P291 HydrophobicContact CE2-CB 4.08Å; Y62-P291 HydrophobicContact CE2-CG 3.86Å; Y62-P291 HydrophobicContact CG-CB 4.38Å; Y62-P291 VanDerWaalsContact CZ-CB 3.46Å; Y62-A292 PolarHBondContact N-O 3.35Å
63R97.9Very high98Very high62 Ų6231 Ų3123%0.23415%0.15CC..  trans-98109.7175.5-60.2178.8-173.5-98.33.3109.9E65 D66 N72 P294 D296R63-E65 VanDerWaalsContact C-N 3.26Å; R63-E65 PolarHBondContact O-N 3.34Å; R63-D66 HydrophobicContact CB-CB 4.38Å; R63-D66 CarbonylContact O-C 3.57Å; R63-D66 VanDerWaalsContact O-C 3.23Å; R63-D66 PolarHBondContact O-N 3.43Å; R63-N72 PolarHBondContact N-OD1 2.92Å; R63-P294 HydrophobicContact CG-CG 4.25Å; R63-D296 IonicContact CZ-OD1 2.88Å; R63-D296 IonicContact NE-OD1 2.84Å; R63-D296 IonicContact NH2-OD1 2.57Å; R63-D296 PolarHBondContact NH2-OD1 2.99Å; R63-D296 IonicContact NH2-OD2 3.7Å; R63-D296 PolarHBondContact NH2-OD2 3.34Å
64P96.3Very high98Very high22 Ų2231.1 Ų31.114%0.14315%0.151CC..THydrogen-bonded Turntrans-57.4-37.5-179.9-2937.5000114.1Y62 D66 V93 Y95 P291Y62-P64 HydrophobicContact CD2-CG 4.4Å; Y62-P64 HydrophobicContact CE2-CG 4.02Å; Y62-P64 WeakPolarHBondContact O-CD 3.44Å; P64-D66 VanDerWaalsContact C-N 3.29Å; P64-D66 PolarHBondContact O-N 2.93Å; P64-V93 HydrophobicContact CB-CB 4.22Å; P64-V93 HydrophobicContact CB-CG2 4.1Å; P64-V93 HydrophobicContact CG-CB 4.33Å; P64-Y95 WeakPolarHBondContact O-CD2 3.37Å; P64-P291 HydrophobicContact CG-CG 3.44Å; P64-P291 VanDerWaalsContact CG-CG 3.44Å
65E97Very high98Very high140 Ų14032.2 Ų32.265%0.65416%0.156SC*.THydrogen-bonded Turntrans-73-18.4-179.265.7-80.8-173.800113.9R63R63-E65 VanDerWaalsContact C-N 3.26Å; R63-E65 PolarHBondContact O-N 3.34Å
66D97.6Very high98Very high65 Ų6532.4 Ų32.435%0.34816%0.157SC..  trans-134.876.2177.6-179.514.4000110.3R63 P64 R68 N69 N72R63-D66 HydrophobicContact CB-CB 4.38Å; R63-D66 CarbonylContact O-C 3.57Å; R63-D66 VanDerWaalsContact O-C 3.23Å; R63-D66 PolarHBondContact O-N 3.43Å; P64-D66 VanDerWaalsContact C-N 3.29Å; P64-D66 PolarHBondContact O-N 2.93Å; D66-R68 PolarHBondContact O-N 2.94Å; D66-R68 VanDerWaalsContact O-N 3.16Å; D66-N69 HydrophobicContact CB-CB 4.26Å; D66-N69 VanDerWaalsContact O-CB 3.27Å; D66-N69 WeakPolarHBondContact O-CB 3.37Å; D66-N69 PolarHBondContact O-N 3.29Å; D66-N69 VanDerWaalsContact O-N 3.08Å; D66-N69 PolarHBondContact OD1-N 3.47Å; D66-N69 VanDerWaalsContact OD2-CB 3.23Å; D66-N69 WeakPolarHBondContact OD2-CB 3.36Å; D66-N69 PolarHBondContact OD2-ND2 3.28Å; D66-N72 PolarHBondContact O-ND2 3.18Å
67P97.6Very high98Very high9 Ų932.6 Ų32.66%0.05816%0.158CC..THydrogen-bonded Turntrans-61.2-26.8-175.9-24.534.2000114N69 N72 W90 Y95 Q120 F121 R384P67-N69 VanDerWaalsContact C-N 3.34Å; P67-N72 PolarHBondContact O-ND2 3.36Å; P67-N72 VanDerWaalsContact O-ND2 3.16Å; P67-W90 HydrophobicContact CB-CH2 3.7Å; P67-W90 HydrophobicContact CB-CZ2 4.34Å; P67-W90 HydrophobicContact CB-CZ3 4.03Å; P67-W90 HydrophobicContact CG-CE3 4.41Å; P67-W90 HydrophobicContact CG-CH2 3.94Å; P67-W90 HydrophobicContact CG-CZ3 3.71Å; P67-Y95 HydrophobicContact CG-CD2 3.89Å; P67-Y95 HydrophobicContact CG-CE1 4.49Å; P67-Y95 HydrophobicContact CG-CE2 3.58Å; P67-Y95 HydrophobicContact CG-CG 4.45Å; P67-Q120 HydrophobicContact CG-CB 4.41Å; P67-F121 HydrophobicContact CB-CB 3.78Å; P67-F121 HydrophobicContact CG-CB 4.23Å; P67-R384 PolarHBondContact O-NH2 3.43Å
68R97.7Very high98Very high68 Ų6832.2 Ų32.226%0.25716%0.156SC..THydrogen-bonded Turntrans-86.3-1.3180-71.3-66.3178.589.11.4113.7D66 P117 Q120 V122 D123 R384D66-R68 PolarHBondContact O-N 2.94Å; D66-R68 VanDerWaalsContact O-N 3.16Å; R68-P117 PolarHBondContact NH2-O 3.25Å; R68-Q120 VanDerWaalsContact CD-O 3.27Å; R68-Q120 WeakPolarHBondContact CD-O 3.45Å; R68-Q120 HydrophobicContact CG-CB 4.43Å; R68-Q120 VanDerWaalsContact CG-O 3.29Å; R68-Q120 WeakPolarHBondContact CG-O 3.28Å; R68-Q120 PolarHBondContact NE-O 2.79Å; R68-V122 PolarHBondContact NH2-O 2.92Å; R68-D123 IonicContact NE-OD1 3.44Å; R68-R384 WeakPolarHBondContact O-CD 3.38Å
69N97.9Very high98.1Very high20 Ų2028.8 Ų28.811%0.10714%0.14CC..  trans-49.5129.3-179.1-167.3-80000111.7D66 P67 N71 N72 R384D66-N69 HydrophobicContact CB-CB 4.26Å; D66-N69 VanDerWaalsContact O-CB 3.27Å; D66-N69 WeakPolarHBondContact O-CB 3.37Å; D66-N69 PolarHBondContact O-N 3.29Å; D66-N69 VanDerWaalsContact O-N 3.08Å; D66-N69 PolarHBondContact OD1-N 3.47Å; D66-N69 VanDerWaalsContact OD2-CB 3.23Å; D66-N69 WeakPolarHBondContact OD2-CB 3.36Å; D66-N69 PolarHBondContact OD2-ND2 3.28Å; P67-N69 VanDerWaalsContact C-N 3.34Å; N69-N71 PolarHBondContact O-N 3.43Å; N69-N71 VanDerWaalsContact O-N 3.1Å; N69-N71 VanDerWaalsContact OD1-CB 3.28Å; N69-N71 WeakPolarHBondContact OD1-CB 3.28Å; N69-N71 PolarHBondContact OD1-N 3.26Å; N69-N71 PolarHBondContact OD1-ND2 2.88Å; N69-N72 PolarHBondContact O-N 3.25Å; N69-R384 PolarHBondContact O-NH1 3.29Å
70P97.6Very high98.2Very high42 Ų4227.6 Ų27.627%0.27313%0.132SC..THydrogen-bonded Turntrans-66.5-14.6-174.728.8-37000113.6R74 T298P70-R74 PolarHBondContact O-NH1 3.47Å; P70-R74 PolarHBondContact O-NH2 2.92Å; P70-T298 WeakPolarHBondContact CB-OG1 3.5Å; P70-T298 WeakPolarHBondContact O-CG2 3.35Å; P70-T298 PolarHBondContact O-OG1 3Å
71N98.3Very high98.2Very high15 Ų1528.4 Ų28.48%0.0814%0.136CC..THydrogen-bonded Turntrans-88-17.9177.3-63-51000114N69 P294 N295 D296 D297 T298N69-N71 PolarHBondContact O-N 3.43Å; N69-N71 VanDerWaalsContact O-N 3.1Å; N69-N71 VanDerWaalsContact OD1-CB 3.28Å; N69-N71 WeakPolarHBondContact OD1-CB 3.28Å; N69-N71 PolarHBondContact OD1-N 3.26Å; N69-N71 PolarHBondContact OD1-ND2 2.88Å; N71-P294 HydrophobicContact CB-CB 3.91Å; N71-P294 HydrophobicContact CB-CG 3.78Å; N71-P294 WeakPolarHBondContact O-CB 3.38Å; N71-N295 VanDerWaalsContact CB-O 3.3Å; N71-N295 WeakPolarHBondContact CB-O 3.26Å; N71-N295 PolarHBondContact OD1-O 2.76Å; N71-D296 PolarHBondContact ND2-OD1 3.06Å; N71-D297 PolarHBondContact OD1-N 3.19Å; N71-T298 VanDerWaalsContact CG-OG1 3.31Å; N71-T298 WeakPolarHBondContact OD1-CB 3.47Å; N71-T298 PolarHBondContact OD1-N 3.16Å; N71-T298 PolarHBondContact OD1-OG1 3.44Å
72N98.7Very high98.2Very high2 Ų224.8 Ų24.81%0.01112%0.12CC..SBendtrans-61143.8-174.8-71.4-12000112.2Y62 R63 D66 P67 N69 R74Y62-N72 VanDerWaalsContact CA-OD1 3.27Å; Y62-N72 WeakPolarHBondContact CA-OD1 3.41Å; R63-N72 PolarHBondContact N-OD1 2.92Å; D66-N72 PolarHBondContact O-ND2 3.18Å; P67-N72 PolarHBondContact O-ND2 3.36Å; P67-N72 VanDerWaalsContact O-ND2 3.16Å; N69-N72 PolarHBondContact O-N 3.25Å; N72-R74 WeakPolarHBondContact O-CD 3.39Å; N72-R74 PolarHBondContact O-N 2.82Å; N72-R74 PolarHBondContact O-NH1 3.27Å
73D98.8Very high98.3Very high12 Ų1224.7 Ų24.76%0.06412%0.119CC..PPolyproline II helixtrans-54.4144.6159.4-74.2-18.8000110.4M60 K61 Y151 R152 F154M60-D73 WeakPolarHBondContact CA-OD2 3.3Å; M60-D73 HydrophobicContact CB-CB 4.17Å; M60-D73 HydrophobicContact CE-CB 3.97Å; M60-D73 HydrophobicContact CG-CB 4.26Å; K61-D73 PolarHBondContact N-OD2 3.42Å; K61-D73 PolarHBondContact O-N 3.43Å; D73-Y151 WeakPolarHBondContact OD1-CA 3.36Å; D73-R152 CarbonylContact C-O 3.59Å; D73-R152 WeakPolarHBondContact CA-O 3.15Å; D73-R152 PolarHBondContact OD1-N 3.28Å; D73-F154 HydrophobicContact CB-CD2 4.45Å; D73-F154 HydrophobicContact CB-CE2 4.1Å
74R98.8Very high98.3Very high4 Ų421.9 Ų21.92%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-97.4139.2-179.1-83.354.5171-165.6-1.9109.8P70 N72 M139 R152 V153 F154 R384P70-R74 PolarHBondContact O-NH1 3.47Å; P70-R74 PolarHBondContact O-NH2 2.92Å; N72-R74 WeakPolarHBondContact O-CD 3.39Å; N72-R74 PolarHBondContact O-N 2.82Å; N72-R74 PolarHBondContact O-NH1 3.27Å; R74-M139 HydrophobicContact CB-SD 3.99Å; R74-M139 HydrophobicContact CG-SD 3.76Å; R74-R152 PolarHBondContact N-O 2.97Å; R74-V153 HydrophobicContact CB-CB 4.4Å; R74-V153 HydrophobicContact CB-CG1 4.02Å; R74-V153 HydrophobicContact CB-CG2 4.15Å; R74-V153 WeakPolarHBondContact O-CA 3.14Å; R74-F154 PolarHBondContact O-N 3.48Å; R74-R384 VanDerWaalsContact NE-CZ 3.34Å; R74-R384 VanDerWaalsContact NE-NH1 3.19Å
75F98.9Very high98.4Very high22 Ų2220.9 Ų20.910%0.09610%0.103CC..EExtended strand (participates in β ladder)trans-124.9127.8172.2177.8-98.6000110.5M52 L55 F56 M60 L77 L86 F154 L156M52-F75 HydrophobicContact CE-CE1 3.77Å; M52-F75 HydrophobicContact CE-CZ 3.72Å; M52-F75 HydrophobicContact SD-CE1 4.15Å; M52-F75 HydrophobicContact SD-CE2 4.14Å; M52-F75 HydrophobicContact SD-CZ 3.46Å; M52-F75 WeakPolarHBondContact SD-CZ 3.46Å; L55-F75 HydrophobicContact CD1-CD2 4.15Å; L55-F75 HydrophobicContact CD1-CE2 3.73Å; F56-F75 HydrophobicContact CE2-CB 4.41Å; F56-F75 AromaticContact CE2-CD1 3.81Å; F56-F75 HydrophobicContact CE2-CD1 3.81Å; F56-F75 AromaticContact CE2-CD2 3.91Å; F56-F75 HydrophobicContact CE2-CD2 3.91Å; F56-F75 AromaticContact CE2-CE1 3.97Å; F56-F75 HydrophobicContact CE2-CE1 3.97Å; F56-F75 HydrophobicContact CE2-CE2 4.1Å; F56-F75 AromaticContact CE2-CG 3.76Å; F56-F75 HydrophobicContact CE2-CG 3.76Å; F56-F75 HydrophobicContact CE2-CZ 4.13Å; F56-F75 HydrophobicContact CZ-CB 3.94Å; F56-F75 AromaticContact CZ-CD1 3.51Å; F56-F75 HydrophobicContact CZ-CD1 3.51Å; F56-F75 HydrophobicContact CZ-CD2 4.25Å; F56-F75 HydrophobicContact CZ-CE1 4.03Å; F56-F75 AromaticContact CZ-CG 3.62Å; F56-F75 HydrophobicContact CZ-CG 3.62Å; M60-F75 HydrophobicContact CE-CB 3.71Å; M60-F75 HydrophobicContact SD-CB 3.98Å; M60-F75 HydrophobicContact SD-CD2 4.36Å; M60-F75 HydrophobicContact SD-CG 4.5Å; F75-L77 HydrophobicContact CE1-CB 3.86Å; F75-L77 HydrophobicContact CE1-CD1 4.4Å; F75-L77 HydrophobicContact CZ-CB 4.39Å; F75-L77 HydrophobicContact CZ-CD1 4.25Å; F75-L86 HydrophobicContact CD1-CD1 4.03Å; F75-L86 HydrophobicContact CE1-CD1 3.97Å; F75-F154 CarbonylContact C-O 3.04Å; F75-F154 WeakPolarHBondContact CA-O 3.28Å; F75-F154 HydrophobicContact CD2-CB 4.14Å; F75-L156 HydrophobicContact CE2-CB 4.03Å; F75-L156 HydrophobicContact CZ-CB 3.97Å; F75-L156 HydrophobicContact CZ-CD2 4.2Å
76I98.9Very high98.5Very high4 Ų414.4 Ų14.42%0.0217%0.073CC..EExtended strand (participates in β ladder)trans-116.2118.1175.9-61-77.8000108.5S78 V124 T126 A136 M139 F154 C155 L156I76-S78 PolarHBondContact O-N 3.42Å; I76-V124 HydrophobicContact CD1-CG2 3.48Å; I76-V124 VanDerWaalsContact CD1-CG2 3.48Å; I76-T126 HydrophobicContact CG2-CG2 4.1Å; I76-A136 HydrophobicContact CG1-CB 4.11Å; I76-M139 HydrophobicContact CD1-CE 3.55Å; I76-M139 HydrophobicContact CD1-SD 3.92Å; I76-M139 HydrophobicContact CG1-CE 4.45Å; I76-M139 HydrophobicContact CG1-SD 4.22Å; I76-F154 PolarHBondContact N-O 3.26Å; I76-C155 HydrophobicContact CB-CB 4.42Å; I76-C155 WeakPolarHBondContact O-CA 3.39Å; I76-L156 PolarHBondContact O-N 3.31Å
77L98.9Very high98.6Very high6 Ų611.5 Ų11.53%0.0316%0.057CC..EExtended strand (participates in β ladder)trans-8681.6169.6-174.464000109.5F75 K79 G80 A82 L86 P115 T126 L156F75-L77 HydrophobicContact CE1-CB 3.86Å; F75-L77 HydrophobicContact CE1-CD1 4.4Å; F75-L77 HydrophobicContact CZ-CB 4.39Å; F75-L77 HydrophobicContact CZ-CD1 4.25Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 HydrophobicContact CD1-CG 3.96Å; L77-K79 PolarHBondContact O-N 3.29Å; L77-G80 WeakPolarHBondContact O-CA 3.47Å; L77-G80 PolarHBondContact O-N 3.11Å; L77-A82 HydrophobicContact CD1-CB 4.38Å; L77-A82 HydrophobicContact CD2-CB 4.28Å; L77-L86 HydrophobicContact CB-CD2 4.39Å; L77-L86 HydrophobicContact CD2-CB 4.03Å; L77-L86 HydrophobicContact CD2-CD2 4.27Å; L77-P115 HydrophobicContact CD2-CG 4.1Å; L77-T126 WeakPolarHBondContact O-CB 3.37Å; L77-T126 PolarHBondContact O-OG1 3.3Å; L77-L156 HydrophobicContact CD1-CB 4.29Å; L77-L156 HydrophobicContact CD1-CD2 3.76Å; L77-L156 HydrophobicContact CD1-CG 4.24Å
78S98.9Very high98.6Very high0 Ų011 Ų110%05%0.054CC..SBendtrans-60.8-40.3-178.3-158.80000111.7I76 G80 G132 L156 E161I76-S78 PolarHBondContact O-N 3.42Å; S78-G80 PolarHBondContact O-N 2.87Å; S78-G132 VanDerWaalsContact OG-CA 3.23Å; S78-G132 WeakPolarHBondContact OG-CA 3.25Å; S78-G132 PolarHBondContact OG-N 3.03Å; S78-G132 VanDerWaalsContact OG-N 3.11Å; S78-L156 WeakPolarHBondContact CA-O 3.24Å; S78-L156 VanDerWaalsContact CB-O 3.24Å; S78-L156 WeakPolarHBondContact CB-O 3.32Å; S78-L156 PolarHBondContact N-O 3.36Å; S78-E161 WeakPolarHBondContact CB-OE1 3.5Å; S78-E161 PolarHBondContact OG-OE1 3.38Å
79K98.8Very high98.7Very high1 Ų17.8 Ų7.80%0.0044%0.042CC..SBendtrans-74.162.216758.4172-67.9-179.30112.4S44 V48 L77 H81 A82 L156 E161 D187S44-K79 PolarHBondContact O-NZ 3.08Å; V48-K79 HydrophobicContact CG1-CD 4.33Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 HydrophobicContact CD1-CG 3.96Å; L77-K79 PolarHBondContact O-N 3.29Å; K79-H81 PolarHBondContact O-N 3.35Å; K79-A82 PolarHBondContact O-N 3.47Å; K79-L156 HydrophobicContact CD-CG 4.25Å; K79-L156 HydrophobicContact CG-CG 4.27Å; K79-L156 PolarHBondContact N-O 2.83Å; K79-E161 PolarHBondContact N-OE2 3.19Å; K79-D187 HydrophobicContact CD-CB 4.37Å; K79-D187 IonicContact NZ-OD2 3.85Å; K79-D187 PolarHBondContact NZ-OD2 2.96Å
80G98.4Very high98.7Very high0 Ų07.5 Ų7.50%04%0.039CC..G310 helixtrans-54.9-24.1-167.700000115L77 S78 A82 A83 P115 T126L77-G80 WeakPolarHBondContact O-CA 3.47Å; L77-G80 PolarHBondContact O-N 3.11Å; S78-G80 PolarHBondContact O-N 2.87Å; G80-A82 PolarHBondContact O-N 3.21Å; G80-A82 VanDerWaalsContact O-N 3.09Å; G80-A83 WeakPolarHBondContact O-CB 3.29Å; G80-A83 PolarHBondContact O-N 3.39Å; G80-P115 WeakPolarHBondContact O-CD 3.08Å; G80-T126 WeakPolarHBondContact CA-O 3.28Å; G80-T126 WeakPolarHBondContact CA-OG1 3.25Å; G80-T126 PolarHBondContact N-O 3.47Å
81H98.8Very high98.7Very high24 Ų246.1 Ų6.111%0.1113%0.032CC..G310 helixtrans-62.2-18.1177.163.5-95.6000113.6H41 K79 A83 H114 H262H41-H81 WeakPolarHBondContact CB-O 3.49Å; H41-H81 AromaticContact CG-CD2 3.98Å; H41-H81 PolarHBondContact ND1-O 2.86Å; K79-H81 PolarHBondContact O-N 3.35Å; H81-A83 PolarHBondContact O-N 2.91Å; H81-H114 VanDerWaalsContact CA-CD2 3.5Å; H81-H114 WeakPolarHBondContact CA-CD2 3.32Å; H81-H114 PolarHBondContact N-CD2 3.28Å; H81-H262 AromaticContact CD2-CE1 3.79Å; H81-H262 AromaticContact NE2-CE1 3.74Å
82A98.8Very high98.7Very high0 Ų08 Ų80%04%0.04CC..G310 helixtrans-79.815.2170.300000113.7L77 K79 G80 P84 V85L77-A82 HydrophobicContact CD1-CB 4.38Å; L77-A82 HydrophobicContact CD2-CB 4.28Å; K79-A82 PolarHBondContact O-N 3.47Å; G80-A82 PolarHBondContact O-N 3.21Å; G80-A82 VanDerWaalsContact O-N 3.09Å; A82-P84 VanDerWaalsContact C-N 3.25Å; A82-P84 WeakPolarHBondContact O-CD 3.46Å; A82-V85 HydrophobicContact CB-CG1 4.4Å; A82-V85 WeakPolarHBondContact O-CG1 3.39Å; A82-V85 PolarHBondContact O-N 3.34Å
83A98.8Very high98.6Very high0 Ų09 Ų90%05%0.046CC..Hα-helixtrans-40.5-41.7178.300000115.6G80 H81 V85 L86 Y87 P115G80-A83 WeakPolarHBondContact O-CB 3.29Å; G80-A83 PolarHBondContact O-N 3.39Å; H81-A83 PolarHBondContact O-N 2.91Å; A83-V85 VanDerWaalsContact C-N 3.26Å; A83-V85 PolarHBondContact O-N 2.8Å; A83-L86 WeakPolarHBondContact O-CB 3.39Å; A83-L86 PolarHBondContact O-N 3.42Å; A83-Y87 HydrophobicContact CB-CE1 4.16Å; A83-Y87 HydrophobicContact CB-CE2 3.73Å; A83-Y87 WeakPolarHBondContact CB-OH 3.34Å; A83-Y87 WeakPolarHBondContact O-CD1 3.16Å; A83-Y87 WeakPolarHBondContact O-CD2 3.26Å; A83-Y87 VanDerWaalsContact O-CG 3.26Å; A83-Y87 PolarHBondContact O-N 2.93Å; A83-P115 HydrophobicContact CB-CG 4.04Å
84P98.9Very high98.5Very high4 Ų411.4 Ų11.43%0.0267%0.074CC..Hα-helixtrans-57.3-33.7-179.6-27.336.6000114.6T34 A82 Y87 A88 L104T34-P84 HydrophobicContact CG2-CB 4.21Å; T34-P84 HydrophobicContact CG2-CG 3.73Å; A82-P84 VanDerWaalsContact C-N 3.25Å; A82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-Y87 PolarHBondContact O-N 2.83Å; P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 2.99Å; P84-L104 HydrophobicContact CB-CD2 4.34Å; P84-L104 HydrophobicContact CG-CD1 4.4Å; P84-L104 HydrophobicContact CG-CD2 3.75Å
85V98.9Very high98.4Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-72.7-33.9177.281.50000111.9L26 S30 C45 V48 M52 A82 A83 A88 V89L26-V85 HydrophobicContact CB-CG2 3.96Å; L26-V85 HydrophobicContact CD1-CG2 4.39Å; S30-V85 WeakPolarHBondContact OG-CA 3.48Å; S30-V85 PolarHBondContact OG-N 3.27Å; C45-V85 HydrophobicContact CB-CB 3.89Å; V48-V85 HydrophobicContact CG2-CG1 3.9Å; M52-V85 HydrophobicContact CB-CG2 4.45Å; M52-V85 HydrophobicContact CE-CG1 4.3Å; M52-V85 HydrophobicContact CG-CG1 3.85Å; M52-V85 HydrophobicContact CG-CG2 4.08Å; M52-V85 HydrophobicContact SD-CG1 4.32Å; A82-V85 HydrophobicContact CB-CG1 4.4Å; A82-V85 WeakPolarHBondContact O-CG1 3.39Å; A82-V85 PolarHBondContact O-N 3.34Å; A83-V85 VanDerWaalsContact C-N 3.26Å; A83-V85 PolarHBondContact O-N 2.8Å; V85-A88 PolarHBondContact O-N 3.22Å; V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.41Å; V85-V89 PolarHBondContact O-N 2.95Å
86L98.9Very high98.4Very high5 Ų514.3 Ų14.33%0.0269%0.085CC..Hα-helixtrans-64.5-44.8172.7174.262.9000110.4M52 F56 F75 L77 A83 A88 V89 W90 P115 V122M52-L86 HydrophobicContact CE-CB 4.42Å; M52-L86 HydrophobicContact CE-CD1 4.26Å; F56-L86 HydrophobicContact CZ-CD1 3.94Å; F75-L86 HydrophobicContact CD1-CD1 4.03Å; F75-L86 HydrophobicContact CE1-CD1 3.97Å; L77-L86 HydrophobicContact CB-CD2 4.39Å; L77-L86 HydrophobicContact CD2-CB 4.03Å; L77-L86 HydrophobicContact CD2-CD2 4.27Å; A83-L86 WeakPolarHBondContact O-CB 3.39Å; A83-L86 PolarHBondContact O-N 3.42Å; L86-A88 VanDerWaalsContact C-N 3.33Å; L86-A88 PolarHBondContact O-N 2.87Å; L86-V89 WeakPolarHBondContact O-CB 3.38Å; L86-V89 PolarHBondContact O-N 2.88Å; L86-W90 PolarHBondContact O-N 3.01Å; L86-P115 HydrophobicContact CD2-CB 4.4Å; L86-P115 HydrophobicContact CD2-CG 4.11Å; L86-V122 HydrophobicContact CD2-CG2 4.13Å
87Y98.8Very high98.3Very high3 Ų320.8 Ų20.81%0.01211%0.113CC..Hα-helixtrans-64-40.4177.2-50.9-26.6000111.5A83 P84 V89 W90 A91 L104 L111 E112 H114 Q119 F121A83-Y87 HydrophobicContact CB-CE1 4.16Å; A83-Y87 HydrophobicContact CB-CE2 3.73Å; A83-Y87 WeakPolarHBondContact CB-OH 3.34Å; A83-Y87 WeakPolarHBondContact O-CD1 3.16Å; A83-Y87 WeakPolarHBondContact O-CD2 3.26Å; A83-Y87 VanDerWaalsContact O-CG 3.26Å; A83-Y87 PolarHBondContact O-N 2.93Å; P84-Y87 PolarHBondContact O-N 2.83Å; Y87-V89 VanDerWaalsContact C-N 3.3Å; Y87-V89 PolarHBondContact O-N 3.31Å; Y87-W90 PolarHBondContact O-N 3Å; Y87-A91 PolarHBondContact O-N 2.78Å; Y87-L104 HydrophobicContact CD2-CD1 4Å; Y87-L104 HydrophobicContact CE2-CD1 3.64Å; Y87-L111 HydrophobicContact CD1-CD2 4.04Å; Y87-L111 HydrophobicContact CD2-CB 4Å; Y87-L111 HydrophobicContact CD2-CD1 4.39Å; Y87-L111 HydrophobicContact CD2-CD2 4.1Å; Y87-L111 HydrophobicContact CD2-CG 4.39Å; Y87-L111 HydrophobicContact CE1-CD2 4.42Å; Y87-L111 HydrophobicContact CE2-CB 3.97Å; Y87-L111 HydrophobicContact CE2-CD2 4.46Å; Y87-L111 HydrophobicContact CG-CD2 3.88Å; Y87-E112 VanDerWaalsContact CE2-O 3.28Å; Y87-E112 WeakPolarHBondContact CE2-O 3.5Å; Y87-E112 PolarHBondContact OH-N 3.19Å; Y87-E112 PolarHBondContact OH-O 3.2Å; Y87-H114 PolarHBondContact OH-O 3.2Å; Y87-Q119 PolarHBondContact OH-NE2 2.9Å; Y87-F121 AromaticContact CD1-CE2 3.81Å; Y87-F121 HydrophobicContact CD1-CE2 3.81Å; Y87-F121 HydrophobicContact CD1-CZ 4.03Å; Y87-F121 HydrophobicContact CE1-CE2 4.06Å; Y87-F121 HydrophobicContact CE1-CZ 4.45Å
88A98.8Very high98Very high0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-61-37.3175.800000112.6L26 N29 P84 V85 L86 A91 E92 L101L26-A88 HydrophobicContact CD2-CB 3.73Å; N29-A88 HydrophobicContact CB-CB 3.76Å; P84-A88 WeakPolarHBondContact O-CB 3.34Å; P84-A88 PolarHBondContact O-N 2.99Å; V85-A88 PolarHBondContact O-N 3.22Å; L86-A88 VanDerWaalsContact C-N 3.33Å; L86-A88 PolarHBondContact O-N 2.87Å; A88-A91 PolarHBondContact O-N 3.11Å; A88-E92 WeakPolarHBondContact O-CB 3.47Å; A88-E92 PolarHBondContact O-N 3.13Å; A88-L101 HydrophobicContact CB-CD1 4.43Å
89V98.7Very high97.9Very high0 Ų030.6 Ų30.60%016%0.162CC..Hα-helixtrans-62.4-45.1173.7166.70000111.2L26 M52 F56 F57 V85 L86 Y87 A91 E92 V93L26-V89 HydrophobicContact CD1-CG2 3.67Å; L26-V89 HydrophobicContact CD2-CB 4.4Å; L26-V89 HydrophobicContact CD2-CG2 3.74Å; L26-V89 HydrophobicContact CG-CG2 4.35Å; M52-V89 HydrophobicContact CB-CG2 4.02Å; M52-V89 HydrophobicContact CE-CG2 3.86Å; F56-V89 HydrophobicContact CB-CG1 3.64Å; F56-V89 HydrophobicContact CD1-CG1 3.22Å; F56-V89 HydrophobicContact CD2-CG1 3.79Å; F56-V89 HydrophobicContact CD2-CG2 4.49Å; F56-V89 HydrophobicContact CE1-CG1 3.68Å; F56-V89 HydrophobicContact CE2-CG1 4.2Å; F56-V89 HydrophobicContact CG-CG1 3.27Å; F56-V89 HydrophobicContact CZ-CG1 4.14Å; F57-V89 HydrophobicContact CE2-CG1 4.18Å; V85-V89 VanDerWaalsContact O-CG2 3.23Å; V85-V89 WeakPolarHBondContact O-CG2 3.41Å; V85-V89 PolarHBondContact O-N 2.95Å; L86-V89 WeakPolarHBondContact O-CB 3.38Å; L86-V89 PolarHBondContact O-N 2.88Å; Y87-V89 VanDerWaalsContact C-N 3.3Å; Y87-V89 PolarHBondContact O-N 3.31Å; V89-A91 VanDerWaalsContact C-N 3.29Å; V89-A91 PolarHBondContact O-N 2.83Å; V89-E92 PolarHBondContact O-N 2.95Å; V89-E92 VanDerWaalsContact O-N 3.15Å; V89-V93 PolarHBondContact O-N 3.32Å
90W98.6Very high97.8Very high13 Ų1333.7 Ų33.75%0.04918%0.176CC..Hα-helixtrans-68.8-26.1178.4-74.3104.3000113.4F56 Y62 P67 L86 Y87 V93 Y95 L96 F121F56-W90 HydrophobicContact CE1-CZ2 4.1Å; F56-W90 AromaticContact CE1-NE1 4Å; Y62-W90 AromaticContact CD2-CH2 3.93Å; Y62-W90 HydrophobicContact CD2-CH2 3.93Å; Y62-W90 HydrophobicContact CD2-CZ3 4.43Å; Y62-W90 AromaticContact CE2-CH2 3.91Å; Y62-W90 HydrophobicContact CE2-CH2 3.91Å; Y62-W90 HydrophobicContact CE2-CZ3 4.16Å; P67-W90 HydrophobicContact CB-CH2 3.7Å; P67-W90 HydrophobicContact CB-CZ2 4.34Å; P67-W90 HydrophobicContact CB-CZ3 4.03Å; P67-W90 HydrophobicContact CG-CE3 4.41Å; P67-W90 HydrophobicContact CG-CH2 3.94Å; P67-W90 HydrophobicContact CG-CZ3 3.71Å; L86-W90 PolarHBondContact O-N 3.01Å; Y87-W90 PolarHBondContact O-N 3Å; W90-V93 HydrophobicContact CD2-CG2 4.47Å; W90-V93 HydrophobicContact CE3-CG2 3.79Å; W90-V93 HydrophobicContact CZ3-CG2 4.36Å; W90-V93 WeakPolarHBondContact O-CG2 3.29Å; W90-Y95 HydrophobicContact CE3-CD1 4.28Å; W90-Y95 AromaticContact CE3-CG 4Å; W90-Y95 HydrophobicContact CE3-CG 4Å; W90-Y95 WeakPolarHBondContact O-CB 3.48Å; W90-Y95 PolarHBondContact O-N 2.72Å; W90-L96 HydrophobicContact CB-CD1 3.99Å; W90-L96 HydrophobicContact CB-CG 4.15Å; W90-L96 PolarHBondContact O-N 2.97Å; W90-F121 HydrophobicContact CB-CD1 4.17Å; W90-F121 HydrophobicContact CB-CE1 4.19Å; W90-F121 AromaticContact CD1-CD1 3.96Å; W90-F121 AromaticContact CD1-CD2 3.38Å; W90-F121 AromaticContact CD1-CE2 3.89Å; W90-F121 AromaticContact CD1-CG 3.45Å; W90-F121 VanDerWaalsContact CD1-CG 3.45Å; W90-F121 HydrophobicContact CD2-CB 3.59Å; W90-F121 AromaticContact CD2-CD1 3.93Å; W90-F121 HydrophobicContact CD2-CD1 3.93Å; W90-F121 HydrophobicContact CD2-CD2 4.46Å; W90-F121 AromaticContact CD2-CG 3.75Å; W90-F121 HydrophobicContact CD2-CG 3.75Å; W90-F121 AromaticContact CE2-CG 3.67Å; W90-F121 HydrophobicContact CE3-CB 4.16Å; W90-F121 HydrophobicContact CE3-CD1 4.43Å; W90-F121 HydrophobicContact CG-CB 4.05Å; W90-F121 AromaticContact CG-CD1 3.74Å; W90-F121 HydrophobicContact CG-CD1 3.74Å; W90-F121 HydrophobicContact CG-CD2 4.02Å; W90-F121 HydrophobicContact CG-CE1 4.18Å; W90-F121 HydrophobicContact CG-CE2 4.45Å; W90-F121 AromaticContact CG-CG 3.67Å; W90-F121 HydrophobicContact CG-CG 3.67Å; W90-F121 HydrophobicContact CH2-CB 3.93Å; W90-F121 HydrophobicContact CZ2-CB 3.34Å; W90-F121 HydrophobicContact CZ2-CG 4.35Å; W90-F121 HydrophobicContact CZ3-CB 4.3Å; W90-F121 VanDerWaalsContact NE1-CB 3.33Å; W90-F121 AromaticContact NE1-CD2 3.54Å; W90-F121 AromaticContact NE1-CG 3.47Å
91A98.4Very high97.8Very high14 Ų1433.9 Ų33.912%0.11618%0.178CC..Hα-helixtrans-73-40.9167.800000112.4Y87 A88 V89 V93 G94 L96 L101Y87-A91 PolarHBondContact O-N 2.78Å; A88-A91 PolarHBondContact O-N 3.11Å; V89-A91 VanDerWaalsContact C-N 3.29Å; V89-A91 PolarHBondContact O-N 2.83Å; A91-V93 VanDerWaalsContact C-N 3.32Å; A91-V93 PolarHBondContact O-N 3.37Å; A91-G94 WeakPolarHBondContact O-CA 3.35Å; A91-G94 PolarHBondContact O-N 2.61Å; A91-L96 WeakPolarHBondContact CA-O 3.38Å; A91-L96 HydrophobicContact CB-CB 4.07Å; A91-L101 HydrophobicContact CB-CD1 3.79Å; A91-L101 HydrophobicContact CB-CD2 4.11Å; A91-L101 HydrophobicContact CB-CG 4.12Å
92E97.9Very high97.8Very high54 Ų5436.3 Ų36.325%0.25219%0.191SC..Hα-helixtrans-65.5-32.9-179.2-178.376.6-162.300112.4I22 R25 L26 F57 A88 V89 G94I22-E92 HydrophobicContact CG2-CG 4.2Å; R25-E92 IonicContact CZ-OE1 2.98Å; R25-E92 VanDerWaalsContact NE-CD 3.32Å; R25-E92 IonicContact NE-OE1 2.67Å; R25-E92 PolarHBondContact NE-OE1 3.47Å; R25-E92 IonicContact NE-OE2 3.21Å; R25-E92 PolarHBondContact NE-OE2 3.26Å; R25-E92 IonicContact NH2-OE1 2.78Å; R25-E92 PolarHBondContact NH2-OE1 3.3Å; L26-E92 HydrophobicContact CD2-CB 4.46Å; F57-E92 HydrophobicContact CE1-CB 4.38Å; F57-E92 HydrophobicContact CE1-CG 3.7Å; F57-E92 HydrophobicContact CE2-CG 4.14Å; F57-E92 HydrophobicContact CZ-CB 3.69Å; F57-E92 HydrophobicContact CZ-CG 3.3Å; A88-E92 WeakPolarHBondContact O-CB 3.47Å; A88-E92 PolarHBondContact O-N 3.13Å; V89-E92 PolarHBondContact O-N 2.95Å; V89-E92 VanDerWaalsContact O-N 3.15Å; E92-G94 VanDerWaalsContact C-N 3.27Å
93V96.3Very high97.8Very high24 Ų2439 Ų3915%0.14521%0.205CC..THydrogen-bonded Turntrans-81.6-3.4171.7-57.80000113.8F57 Y62 P64 V89 W90 A91F57-V93 HydrophobicContact CD1-CG1 4.37Å; F57-V93 HydrophobicContact CE1-CG1 3.44Å; F57-V93 VanDerWaalsContact CE1-CG1 3.44Å; F57-V93 HydrophobicContact CE2-CG1 4.49Å; F57-V93 HydrophobicContact CZ-CG1 3.49Å; F57-V93 VanDerWaalsContact CZ-CG1 3.49Å; Y62-V93 WeakPolarHBondContact OH-CG1 3.34Å; P64-V93 HydrophobicContact CB-CB 4.22Å; P64-V93 HydrophobicContact CB-CG2 4.1Å; P64-V93 HydrophobicContact CG-CB 4.33Å; V89-V93 PolarHBondContact O-N 3.32Å; W90-V93 HydrophobicContact CD2-CG2 4.47Å; W90-V93 HydrophobicContact CE3-CG2 3.79Å; W90-V93 HydrophobicContact CZ3-CG2 4.36Å; W90-V93 WeakPolarHBondContact O-CG2 3.29Å; A91-V93 VanDerWaalsContact C-N 3.32Å; A91-V93 PolarHBondContact O-N 3.37Å
94G96.2Very high97.8Very high62 Ų6239 Ų3964%0.63921%0.206SC*.THydrogen-bonded Turntrans868.9176.100000116.4A91 E92A91-G94 WeakPolarHBondContact O-CA 3.35Å; A91-G94 PolarHBondContact O-N 2.61Å; E92-G94 VanDerWaalsContact C-N 3.27Å
95Y97.2Very high97.7Very high78 Ų7842.8 Ų42.831%0.30622%0.219SC..SBendtrans-74.4-42174.5-178.8-95.1000111.7P64 P67 W90 Q120 F121P64-Y95 WeakPolarHBondContact O-CD2 3.37Å; P67-Y95 HydrophobicContact CG-CD2 3.89Å; P67-Y95 HydrophobicContact CG-CE1 4.49Å; P67-Y95 HydrophobicContact CG-CE2 3.58Å; P67-Y95 HydrophobicContact CG-CG 4.45Å; W90-Y95 HydrophobicContact CE3-CD1 4.28Å; W90-Y95 AromaticContact CE3-CG 4Å; W90-Y95 HydrophobicContact CE3-CG 4Å; W90-Y95 WeakPolarHBondContact O-CB 3.48Å; W90-Y95 PolarHBondContact O-N 2.72Å; Y95-Q120 WeakPolarHBondContact OH-CB 3.45Å; Y95-F121 AromaticContact CD1-CD1 3.71Å; Y95-F121 HydrophobicContact CD1-CD1 3.71Å; Y95-F121 AromaticContact CD1-CE1 3.95Å; Y95-F121 HydrophobicContact CD1-CE1 3.95Å; Y95-F121 AromaticContact CE1-CD1 3.56Å; Y95-F121 HydrophobicContact CE1-CD1 3.56Å; Y95-F121 AromaticContact CE1-CE1 3.8Å; Y95-F121 HydrophobicContact CE1-CE1 3.8Å
96L97.6Very high97.7Very high9 Ų947.1 Ų47.15%0.04724%0.238CC..SBendtrans-100.3152.8171.3-61.9175.7000110.4W90 A91 L101 I110 L111 F121W90-L96 HydrophobicContact CB-CD1 3.99Å; W90-L96 HydrophobicContact CB-CG 4.15Å; W90-L96 PolarHBondContact O-N 2.97Å; A91-L96 WeakPolarHBondContact CA-O 3.38Å; A91-L96 HydrophobicContact CB-CB 4.07Å; L96-L101 HydrophobicContact CD1-CD2 4.36Å; L96-I110 HydrophobicContact CD2-CD1 4.49Å; L96-L111 HydrophobicContact CD1-CD2 3.86Å; L96-F121 HydrophobicContact CD1-CE1 3.98Å; L96-F121 HydrophobicContact CD1-CZ 4.03Å; L96-F121 HydrophobicContact CD2-CE1 4.14Å; L96-F121 HydrophobicContact CG-CE1 4.18Å
97K96.9Very high97.6Very high139 Ų13954.1 Ų54.160%0.60428%0.281SS*.  trans-81.6140167.3-59.9175.8-175.6166.50109.7N99 E100K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.27Å; K97-N99 VanDerWaalsContact O-N 3.17Å; K97-E100 HydrophobicContact CB-CG 4.06Å; K97-E100 WeakPolarHBondContact O-CB 3.42Å; K97-E100 PolarHBondContact O-N 3.25Å
98E94.2Very high97.4Very high107 Ų10760.4 Ų60.450%0.531%0.314SS..G310 helixtrans-56.9-36.1-178.2-171.9-176.4153.100112.6N29 K32 E100 L101N29-E98 PolarHBondContact OD1-OE1 2.85Å; K32-E98 IonicContact NZ-OE1 3.58Å; K32-E98 PolarHBondContact NZ-OE1 3.3Å; K32-E98 VanDerWaalsContact NZ-OE1 3.07Å; E98-E100 VanDerWaalsContact C-N 3.27Å; E98-E100 PolarHBondContact O-N 3.15Å; E98-L101 HydrophobicContact CG-CD1 4.37Å; E98-L101 VanDerWaalsContact O-CB 3.28Å; E98-L101 WeakPolarHBondContact O-CB 3.05Å; E98-L101 WeakPolarHBondContact O-CG 3.1Å; E98-L101 PolarHBondContact O-N 3.24Å
99N95.9Very high97.3Very high106 Ų10661 Ų6157%0.56732%0.319SS*.G310 helixtrans-68-24.1178.967.3-26.5000113.5K97 L101 L102K97-N99 WeakPolarHBondContact CB-OD1 3.39Å; K97-N99 PolarHBondContact O-N 3.27Å; K97-N99 VanDerWaalsContact O-N 3.17Å; N99-L101 PolarHBondContact O-N 2.63Å; N99-L102 PolarHBondContact O-N 3.46Å
100E97.3Very high97.2Very high65 Ų6564.9 Ų64.930%0.30434%0.339SS..G310 helixtrans-66.7-26.9175.5-67.9170-167.700111.6K97 E98 L102 N103 L111K97-E100 HydrophobicContact CB-CG 4.06Å; K97-E100 WeakPolarHBondContact O-CB 3.42Å; K97-E100 PolarHBondContact O-N 3.25Å; E98-E100 VanDerWaalsContact C-N 3.27Å; E98-E100 PolarHBondContact O-N 3.15Å; E100-L102 PolarHBondContact O-N 3.03Å; E100-L102 VanDerWaalsContact O-N 3.15Å; E100-N103 WeakPolarHBondContact O-CB 3.31Å; E100-N103 PolarHBondContact O-N 2.94Å; E100-L111 WeakPolarHBondContact O-CD1 3.43Å
101L98.4Very high97.2Very high5 Ų564.3 Ų64.33%0.02634%0.337CS..G310 helixtrans-59.2-27.7176.7-57.7-179.9000112.6N29 A33 A88 A91 L96 E98 N99 N103 L104 L111N29-L101 HydrophobicContact CB-CD1 3.86Å; A33-L101 HydrophobicContact CB-CB 4.47Å; A33-L101 VanDerWaalsContact CB-O 3.26Å; A33-L101 WeakPolarHBondContact CB-O 3.34Å; A88-L101 HydrophobicContact CB-CD1 4.43Å; A91-L101 HydrophobicContact CB-CD1 3.79Å; A91-L101 HydrophobicContact CB-CD2 4.11Å; A91-L101 HydrophobicContact CB-CG 4.12Å; L96-L101 HydrophobicContact CD1-CD2 4.36Å; E98-L101 HydrophobicContact CG-CD1 4.37Å; E98-L101 VanDerWaalsContact O-CB 3.28Å; E98-L101 WeakPolarHBondContact O-CB 3.05Å; E98-L101 WeakPolarHBondContact O-CG 3.1Å; E98-L101 PolarHBondContact O-N 3.24Å; N99-L101 PolarHBondContact O-N 2.63Å; L101-N103 PolarHBondContact O-N 2.86Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.1Å; L101-L111 HydrophobicContact CD2-CD1 4.02Å
102L98.2Very high97.2Very high74 Ų7467 Ų6739%0.38735%0.347SS..G310 helixtrans-73.7-7.4177.5-55.1-178.8000113K32 A36 N99 E100K32-L102 HydrophobicContact CB-CD2 4.03Å; A36-L102 HydrophobicContact CB-CB 4.45Å; A36-L102 HydrophobicContact CB-CD2 4.25Å; N99-L102 PolarHBondContact O-N 3.46Å; E100-L102 PolarHBondContact O-N 3.03Å; E100-L102 VanDerWaalsContact O-N 3.15Å
103N98.3Very high97.2Very high57 Ų5765 Ų6531%0.30534%0.34SS..G310 helixtrans-96.113.8173.5-61.2-34.4000112.7E100 L101 R105 K106 S109E100-N103 WeakPolarHBondContact O-CB 3.31Å; E100-N103 PolarHBondContact O-N 2.94Å; L101-N103 PolarHBondContact O-N 2.86Å; N103-R105 PolarHBondContact O-N 3.18Å; N103-K106 HydrophobicContact CB-CD 4.09Å; N103-K106 PolarHBondContact O-N 2.8Å; N103-K106 PolarHBondContact OD1-NZ 3.21Å; N103-S109 WeakPolarHBondContact O-CB 3.38Å; N103-S109 PolarHBondContact O-OG 2.84Å
104L98.8Very high97.3Very high1 Ų167 Ų671%0.00535%0.348CS..THydrogen-bonded Turntrans-47.8132.1171.9174.168.2000111.1A33 T34 A37 P84 Y87 L101 K106A33-L104 HydrophobicContact CB-CB 4.18Å; A33-L104 HydrophobicContact CB-CD2 3.9Å; T34-L104 HydrophobicContact CG2-CD2 3.89Å; A37-L104 HydrophobicContact CB-CB 4.34Å; A37-L104 HydrophobicContact CB-CD2 4.25Å; A37-L104 HydrophobicContact CB-CG 4.24Å; A37-L104 WeakPolarHBondContact CB-O 3.39Å; P84-L104 HydrophobicContact CB-CD2 4.34Å; P84-L104 HydrophobicContact CG-CD1 4.4Å; P84-L104 HydrophobicContact CG-CD2 3.75Å; Y87-L104 HydrophobicContact CD2-CD1 4Å; Y87-L104 HydrophobicContact CE2-CD1 3.64Å; L101-L104 WeakPolarHBondContact O-CB 3.41Å; L101-L104 PolarHBondContact O-N 3.1Å; L104-K106 PolarHBondContact O-N 2.96Å; L104-K106 VanDerWaalsContact O-N 3.16Å
105R98.4Very high97.4Very high82 Ų8264.2 Ų64.231%0.30932%0.318SS..THydrogen-bonded Turntrans62.811.1176.4-65.5167.1173.4-129.3-11.1115.7A37 S39 N103 L111A37-R105 HydrophobicContact CB-CB 4.37Å; S39-R105 WeakPolarHBondContact OG-CD 3.32Å; S39-R105 PolarHBondContact OG-NH1 3.1Å; N103-R105 PolarHBondContact O-N 3.18Å; R105-L111 PolarHBondContact N-O 3.31Å
106K98.4Very high97.5Very high92 Ų9261.7 Ų61.740%0.431%0.311SS..  trans-80147.3170-60.9-174.5-175.3169.20110.5N103 L104 D108 S109N103-K106 HydrophobicContact CB-CD 4.09Å; N103-K106 PolarHBondContact O-N 2.8Å; N103-K106 PolarHBondContact OD1-NZ 3.21Å; L104-K106 PolarHBondContact O-N 2.96Å; L104-K106 VanDerWaalsContact O-N 3.16Å; K106-D108 VanDerWaalsContact CB-OD1 3.26Å; K106-D108 WeakPolarHBondContact CB-OD1 3.45Å; K106-D108 PolarHBondContact O-N 2.77Å; K106-S109 WeakPolarHBondContact O-CB 3.4Å; K106-S109 PolarHBondContact O-N 3.43Å
107V97.4Very high97.5Very high152 Ų15261.6 Ų61.692%0.92131%0.311SS*.THydrogen-bonded Turntrans-60.5-30.9-175.565.60000113.5
108D94.2Very high97.3Very high134 Ų13458.8 Ų58.872%0.71730%0.299SS*.THydrogen-bonded Turntrans-91.72-179.259.5-22.4000113.1K106K106-D108 VanDerWaalsContact CB-OD1 3.26Å; K106-D108 WeakPolarHBondContact CB-OD1 3.45Å; K106-D108 PolarHBondContact O-N 2.77Å
109S96.8Very high97.5Very high14 Ų1453.7 Ų53.710%0.09828%0.275CS..  trans-98.9145-178-174.30000112.3N103 K106 L111 K118N103-S109 WeakPolarHBondContact O-CB 3.38Å; N103-S109 PolarHBondContact O-OG 2.84Å; K106-S109 WeakPolarHBondContact O-CB 3.4Å; K106-S109 PolarHBondContact O-N 3.43Å; S109-L111 PolarHBondContact OG-N 3.31Å; S109-K118 PolarHBondContact O-NZ 3.43Å
110I96Very high97.6Very high80 Ų8052.8 Ų52.841%0.4127%0.268SS..SBendtrans-75-17.5167.366.6164.3000112L96 E112 K118 Q119L96-I110 HydrophobicContact CD2-CD1 4.49Å; I110-E112 PolarHBondContact O-N 3.4Å; I110-E112 VanDerWaalsContact O-N 3.16Å; I110-K118 VanDerWaalsContact O-CE 3.32Å; I110-K118 WeakPolarHBondContact O-CE 3.45Å; I110-Q119 WeakPolarHBondContact O-CG 3.46Å; I110-Q119 PolarHBondContact O-NE2 3.3Å
111L98.2Very high97.6Very high2 Ų250.4 Ų50.41%0.0126%0.256CS..  trans-84.788.4-176.8-56.5-174.6000110.6Y87 L96 E100 L101 R105 S109 F121Y87-L111 HydrophobicContact CD1-CD2 4.04Å; Y87-L111 HydrophobicContact CD2-CB 4Å; Y87-L111 HydrophobicContact CD2-CD1 4.39Å; Y87-L111 HydrophobicContact CD2-CD2 4.1Å; Y87-L111 HydrophobicContact CD2-CG 4.39Å; Y87-L111 HydrophobicContact CE1-CD2 4.42Å; Y87-L111 HydrophobicContact CE2-CB 3.97Å; Y87-L111 HydrophobicContact CE2-CD2 4.46Å; Y87-L111 HydrophobicContact CG-CD2 3.88Å; L96-L111 HydrophobicContact CD1-CD2 3.86Å; E100-L111 WeakPolarHBondContact O-CD1 3.43Å; L101-L111 HydrophobicContact CD2-CD1 4.02Å; R105-L111 PolarHBondContact N-O 3.31Å; S109-L111 PolarHBondContact OG-N 3.31Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å
112E98.1Very high97.6Very high71 Ų7150.5 Ų50.533%0.33226%0.257SS..  trans-76.9168.7-176.7-73.6-70.4-179.100113.5Y87 I110 H114 V116 K118Y87-E112 VanDerWaalsContact CE2-O 3.28Å; Y87-E112 WeakPolarHBondContact CE2-O 3.5Å; Y87-E112 PolarHBondContact OH-N 3.19Å; Y87-E112 PolarHBondContact OH-O 3.2Å; I110-E112 PolarHBondContact O-N 3.4Å; I110-E112 VanDerWaalsContact O-N 3.16Å; E112-H114 VanDerWaalsContact CB-O 3.23Å; E112-H114 WeakPolarHBondContact CB-O 3.34Å; E112-H114 PolarHBondContact O-N 2.86Å; E112-V116 HydrophobicContact CB-CG2 4.01Å; E112-V116 HydrophobicContact CG-CG2 3.65Å; E112-K118 VanDerWaalsContact CD-NZ 3.32Å; E112-K118 VanDerWaalsContact CG-NZ 3.29Å; E112-K118 WeakPolarHBondContact OE1-CE 3.38Å; E112-K118 IonicContact OE1-NZ 3.86Å; E112-K118 PolarHBondContact OE1-NZ 3.26Å
113G98.4Very high97.7Very high11 Ų1147.6 Ų47.611%0.11324%0.242CC..SBendtrans-61.9-23.7175.200000114.8
114H98.7Very high97.7Very high67 Ų6745.2 Ų45.231%0.3123%0.229SC..SBendtrans-138.7155.3173.9-64.888.9000109.2H81 Y87 E112H81-H114 VanDerWaalsContact CA-CD2 3.5Å; H81-H114 WeakPolarHBondContact CA-CD2 3.32Å; H81-H114 PolarHBondContact N-CD2 3.28Å; Y87-H114 PolarHBondContact OH-O 3.2Å; E112-H114 VanDerWaalsContact CB-O 3.23Å; E112-H114 WeakPolarHBondContact CB-O 3.34Å; E112-H114 PolarHBondContact O-N 2.86Å
115P98.6Very high97.7Very high2 Ų245.5 Ų45.51%0.01323%0.232CC..  trans-59.2136177.5-24.735.1000111.7L77 G80 A83 L86 V122 A125L77-P115 HydrophobicContact CD2-CG 4.1Å; G80-P115 WeakPolarHBondContact O-CD 3.08Å; A83-P115 HydrophobicContact CB-CG 4.04Å; L86-P115 HydrophobicContact CD2-CB 4.4Å; L86-P115 HydrophobicContact CD2-CG 4.11Å; P115-V122 HydrophobicContact CB-CB 4.42Å; P115-V122 HydrophobicContact CB-CG1 3.68Å; P115-V122 HydrophobicContact CB-CG2 3.83Å; P115-A125 VanDerWaalsContact O-CA 3.32Å; P115-A125 WeakPolarHBondContact O-CA 3.39Å
116V98.4Very high97.7Very high26 Ų2641.7 Ų41.716%0.15822%0.218CC..  trans-144.5149.1175-75.10000111.4E112 K118 Q119 A125 I410E112-V116 HydrophobicContact CB-CG2 4.01Å; E112-V116 HydrophobicContact CG-CG2 3.65Å; V116-K118 HydrophobicContact CB-CG 4.49Å; V116-K118 HydrophobicContact CG2-CD 4.01Å; V116-K118 HydrophobicContact CG2-CG 3.62Å; V116-K118 PolarHBondContact O-N 2.98Å; V116-Q119 WeakPolarHBondContact O-CB 3.24Å; V116-Q119 PolarHBondContact O-N 2.67Å; V116-Q119 PolarHBondContact O-OE1 2.93Å; V116-Q119 VanDerWaalsContact O-OE1 3.09Å; V116-A125 HydrophobicContact CG1-CB 4.08Å; V116-I410 HydrophobicContact CG1-CG2 4.02Å
117P97.3Very high97.6Very high7 Ų738.8 Ų38.85%0.04521%0.214CC..THydrogen-bonded Turntrans-69.6-3.9-168.7-28.643.1000117.7R68 Q119 V122 D123 S411R68-P117 PolarHBondContact NH2-O 3.25Å; P117-Q119 PolarHBondContact O-N 3.27Å; P117-V122 WeakPolarHBondContact CA-O 3.3Å; P117-D123 WeakPolarHBondContact CG-O 3.34Å; P117-S411 WeakPolarHBondContact CG-O 3.21Å
118K94Very high97.7Very high80 Ų8032.9 Ų32.935%0.34818%0.179SC..THydrogen-bonded Turntrans-58.7-24.4162.565.3177.5-165.9171.30112.1S109 I110 E112 V116S109-K118 PolarHBondContact O-NZ 3.43Å; I110-K118 VanDerWaalsContact O-CE 3.32Å; I110-K118 WeakPolarHBondContact O-CE 3.45Å; E112-K118 VanDerWaalsContact CD-NZ 3.32Å; E112-K118 VanDerWaalsContact CG-NZ 3.29Å; E112-K118 WeakPolarHBondContact OE1-CE 3.38Å; E112-K118 IonicContact OE1-NZ 3.86Å; E112-K118 PolarHBondContact OE1-NZ 3.26Å; V116-K118 HydrophobicContact CB-CG 4.49Å; V116-K118 HydrophobicContact CG2-CD 4.01Å; V116-K118 HydrophobicContact CG2-CG 3.62Å; V116-K118 PolarHBondContact O-N 2.98Å
119Q98Very high97.9Very high0 Ų029.2 Ų29.20%016%0.159CC..SBendtrans-82.1117.7168.2-60.3142.61.900108.2Y87 I110 V116 P117 F121 V122Y87-Q119 PolarHBondContact OH-NE2 2.9Å; I110-Q119 WeakPolarHBondContact O-CG 3.46Å; I110-Q119 PolarHBondContact O-NE2 3.3Å; V116-Q119 WeakPolarHBondContact O-CB 3.24Å; V116-Q119 PolarHBondContact O-N 2.67Å; V116-Q119 PolarHBondContact O-OE1 2.93Å; V116-Q119 VanDerWaalsContact O-OE1 3.09Å; P117-Q119 PolarHBondContact O-N 3.27Å; Q119-F121 HydrophobicContact CB-CD2 4.19Å; Q119-F121 HydrophobicContact CB-CE1 4.27Å; Q119-F121 HydrophobicContact CB-CE2 3.75Å; Q119-F121 HydrophobicContact CB-CZ 3.8Å; Q119-F121 HydrophobicContact CG-CE2 4.22Å; Q119-F121 HydrophobicContact CG-CZ 4.06Å; Q119-F121 PolarHBondContact O-N 3.01Å; Q119-F121 VanDerWaalsContact O-N 3.09Å; Q119-V122 HydrophobicContact CB-CB 4.14Å; Q119-V122 HydrophobicContact CB-CG2 3.84Å; Q119-V122 PolarHBondContact O-N 2.99Å; Q119-V122 VanDerWaalsContact OE1-CG2 3.25Å
120Q97.6Very high98Very high87 Ų8728.6 Ų28.641%0.40716%0.155SC..THydrogen-bonded Turntrans-59.6-28.2-175.6-63.3-58-59.100113P67 R68 Y95 V122P67-Q120 HydrophobicContact CG-CB 4.41Å; R68-Q120 VanDerWaalsContact CD-O 3.27Å; R68-Q120 WeakPolarHBondContact CD-O 3.45Å; R68-Q120 HydrophobicContact CG-CB 4.43Å; R68-Q120 VanDerWaalsContact CG-O 3.29Å; R68-Q120 WeakPolarHBondContact CG-O 3.28Å; R68-Q120 PolarHBondContact NE-O 2.79Å; Y95-Q120 WeakPolarHBondContact OH-CB 3.45Å; Q120-V122 PolarHBondContact O-N 3.35Å
121F98.1Very high98.1Very high14 Ų1425.2 Ų25.26%0.06114%0.138CC..THydrogen-bonded Turntrans-81.95.417651.8-103.1000115.2P67 Y87 W90 Y95 L96 L111 Q119P67-F121 HydrophobicContact CB-CB 3.78Å; P67-F121 HydrophobicContact CG-CB 4.23Å; Y87-F121 AromaticContact CD1-CE2 3.81Å; Y87-F121 HydrophobicContact CD1-CE2 3.81Å; Y87-F121 HydrophobicContact CD1-CZ 4.03Å; Y87-F121 HydrophobicContact CE1-CE2 4.06Å; Y87-F121 HydrophobicContact CE1-CZ 4.45Å; W90-F121 HydrophobicContact CB-CD1 4.17Å; W90-F121 HydrophobicContact CB-CE1 4.19Å; W90-F121 AromaticContact CD1-CD1 3.96Å; W90-F121 AromaticContact CD1-CD2 3.38Å; W90-F121 AromaticContact CD1-CE2 3.89Å; W90-F121 AromaticContact CD1-CG 3.45Å; W90-F121 VanDerWaalsContact CD1-CG 3.45Å; W90-F121 HydrophobicContact CD2-CB 3.59Å; W90-F121 AromaticContact CD2-CD1 3.93Å; W90-F121 HydrophobicContact CD2-CD1 3.93Å; W90-F121 HydrophobicContact CD2-CD2 4.46Å; W90-F121 AromaticContact CD2-CG 3.75Å; W90-F121 HydrophobicContact CD2-CG 3.75Å; W90-F121 AromaticContact CE2-CG 3.67Å; W90-F121 HydrophobicContact CE3-CB 4.16Å; W90-F121 HydrophobicContact CE3-CD1 4.43Å; W90-F121 HydrophobicContact CG-CB 4.05Å; W90-F121 AromaticContact CG-CD1 3.74Å; W90-F121 HydrophobicContact CG-CD1 3.74Å; W90-F121 HydrophobicContact CG-CD2 4.02Å; W90-F121 HydrophobicContact CG-CE1 4.18Å; W90-F121 HydrophobicContact CG-CE2 4.45Å; W90-F121 AromaticContact CG-CG 3.67Å; W90-F121 HydrophobicContact CG-CG 3.67Å; W90-F121 HydrophobicContact CH2-CB 3.93Å; W90-F121 HydrophobicContact CZ2-CB 3.34Å; W90-F121 HydrophobicContact CZ2-CG 4.35Å; W90-F121 HydrophobicContact CZ3-CB 4.3Å; W90-F121 VanDerWaalsContact NE1-CB 3.33Å; W90-F121 AromaticContact NE1-CD2 3.54Å; W90-F121 AromaticContact NE1-CG 3.47Å; Y95-F121 AromaticContact CD1-CD1 3.71Å; Y95-F121 HydrophobicContact CD1-CD1 3.71Å; Y95-F121 AromaticContact CD1-CE1 3.95Å; Y95-F121 HydrophobicContact CD1-CE1 3.95Å; Y95-F121 AromaticContact CE1-CD1 3.56Å; Y95-F121 HydrophobicContact CE1-CD1 3.56Å; Y95-F121 AromaticContact CE1-CE1 3.8Å; Y95-F121 HydrophobicContact CE1-CE1 3.8Å; L96-F121 HydrophobicContact CD1-CE1 3.98Å; L96-F121 HydrophobicContact CD1-CZ 4.03Å; L96-F121 HydrophobicContact CD2-CE1 4.14Å; L96-F121 HydrophobicContact CG-CE1 4.18Å; L111-F121 HydrophobicContact CD2-CZ 4.35Å; Q119-F121 HydrophobicContact CB-CD2 4.19Å; Q119-F121 HydrophobicContact CB-CE1 4.27Å; Q119-F121 HydrophobicContact CB-CE2 3.75Å; Q119-F121 HydrophobicContact CB-CZ 3.8Å; Q119-F121 HydrophobicContact CG-CE2 4.22Å; Q119-F121 HydrophobicContact CG-CZ 4.06Å; Q119-F121 PolarHBondContact O-N 3.01Å; Q119-F121 VanDerWaalsContact O-N 3.09Å
122V98.7Very high98.1Very high7 Ų725.2 Ų25.24%0.04214%0.138CC..  trans-117.8121.8176179.50000108.7R68 L86 P115 P117 Q119 Q120 V124R68-V122 PolarHBondContact NH2-O 2.92Å; L86-V122 HydrophobicContact CD2-CG2 4.13Å; P115-V122 HydrophobicContact CB-CB 4.42Å; P115-V122 HydrophobicContact CB-CG1 3.68Å; P115-V122 HydrophobicContact CB-CG2 3.83Å; P117-V122 WeakPolarHBondContact CA-O 3.3Å; Q119-V122 HydrophobicContact CB-CB 4.14Å; Q119-V122 HydrophobicContact CB-CG2 3.84Å; Q119-V122 PolarHBondContact O-N 2.99Å; Q119-V122 VanDerWaalsContact OE1-CG2 3.25Å; Q120-V122 PolarHBondContact O-N 3.35Å; V122-V124 WeakPolarHBondContact CG1-O 3.27Å
123D98.8Very high98.2Very high13 Ų1321.8 Ų21.87%0.0712%0.122CC..SBendtrans-87.3-36.5177.6-73.1-56.6000112.2R68 P117 M139 V383 R384R68-D123 IonicContact NE-OD1 3.44Å; P117-D123 WeakPolarHBondContact CG-O 3.34Å; D123-M139 HydrophobicContact CB-CE 3.78Å; D123-V383 HydrophobicContact CB-CG1 3.59Å; D123-V383 HydrophobicContact CB-CG2 4.1Å; D123-V383 WeakPolarHBondContact OD1-CG1 3.15Å; D123-R384 WeakPolarHBondContact OD1-CG 3.48Å; D123-R384 IonicContact OD1-CZ 2.78Å; D123-R384 IonicContact OD1-NE 3.28Å; D123-R384 PolarHBondContact OD1-NE 3.47Å; D123-R384 IonicContact OD1-NH2 2.81Å; D123-R384 IonicContact OD2-CZ 3.52Å; D123-R384 IonicContact OD2-NE 2.79Å; D123-R384 PolarHBondContact OD2-NE 3.17Å; D123-R384 IonicContact OD2-NH2 3.99Å; D123-R384 PolarHBondContact OD2-NH2 2.87Å
124V98.7Very high98.2Very high8 Ų821.4 Ų21.45%0.04812%0.117CC..SBendtrans-139.1149.6-178.2-57.70000111.4I76 V122 T126 A135 M139 I379 V383I76-V124 HydrophobicContact CD1-CG2 3.48Å; I76-V124 VanDerWaalsContact CD1-CG2 3.48Å; V122-V124 WeakPolarHBondContact CG1-O 3.27Å; V124-T126 HydrophobicContact CG2-CG2 3.98Å; V124-A135 HydrophobicContact CG1-CB 4.34Å; V124-A135 HydrophobicContact CG2-CB 4.09Å; V124-M139 HydrophobicContact CG1-CE 4.03Å; V124-I379 HydrophobicContact CG1-CG2 3.63Å; V124-V383 HydrophobicContact CG1-CG2 3.65Å
125A98.8Very high98.2Very high6 Ų618.4 Ų18.45%0.0510%0.104CC..  trans-80.5137.317400000111.2P115 V116 M407 I410 S411P115-A125 VanDerWaalsContact O-CA 3.32Å; P115-A125 WeakPolarHBondContact O-CA 3.39Å; V116-A125 HydrophobicContact CG1-CB 4.08Å; A125-M407 VanDerWaalsContact C-CE 3.44Å; A125-M407 HydrophobicContact CB-CE 3.6Å; A125-M407 WeakPolarHBondContact O-CE 3.35Å; A125-I410 HydrophobicContact CB-CB 4.34Å; A125-I410 HydrophobicContact CB-CG2 3.66Å; A125-S411 PolarHBondContact N-OG 2.81Å
126T98.6Very high98.2Very high3 Ų318.3 Ų18.32%0.01810%0.104CC..  trans-134.625.6-169.954.70000113.8I76 L77 G80 V124 S128I76-T126 HydrophobicContact CG2-CG2 4.1Å; L77-T126 WeakPolarHBondContact O-CB 3.37Å; L77-T126 PolarHBondContact O-OG1 3.3Å; G80-T126 WeakPolarHBondContact CA-O 3.28Å; G80-T126 WeakPolarHBondContact CA-OG1 3.25Å; G80-T126 PolarHBondContact N-O 3.47Å; V124-T126 HydrophobicContact CG2-CG2 3.98Å; T126-S128 VanDerWaalsContact C-N 3.31Å; T126-S128 PolarHBondContact O-N 3Å
127G96.7Very high98.3Very high31 Ų3117 Ų1732%0.3210%0.096SC..  trans-65.8-32.517700000113.5
128S98.7Very high98.3Very high28 Ų2816.7 Ų16.720%0.1969%0.094CC..SBendtrans-83.8123168.1-162.30000109.6T126 D403T126-S128 VanDerWaalsContact C-N 3.31Å; T126-S128 PolarHBondContact O-N 3Å; S128-D403 VanDerWaalsContact CB-OD2 3.29Å; S128-D403 WeakPolarHBondContact CB-OD2 3.35Å; S128-D403 PolarHBondContact OG-OD2 2.8Å
129L98.5Very high98.6Very high56 Ų5613.1 Ų13.129%0.2938%0.078SC..THydrogen-bonded Turntrans-69.9157.2-172.9-64.6175.8000111.4Q131 E161L129-Q131 PolarHBondContact O-N 3.34Å; L129-E161 HydrophobicContact CB-CB 4.11Å; L129-E161 HydrophobicContact CB-CG 4.09Å; L129-E161 HydrophobicContact CD1-CB 4.28Å; L129-E161 HydrophobicContact CD2-CB 4.25Å; L129-E161 HydrophobicContact CG-CB 4.45Å
130G98.6Very high98.6Very high1 Ų113.1 Ų13.11%0.018%0.078CC..THydrogen-bonded Turntrans81.9-3.917300000114.9E161G130-E161 PolarHBondContact N-OE1 2.82Å
131Q98.9Very high98.7Very high10 Ų109.6 Ų9.65%0.0476%0.062CC..  trans-94.2-26.1-177.6-55.9-164.914.400114.1L129 L133 G134 A135 D403 Q404L129-Q131 PolarHBondContact O-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.37Å; Q131-G134 PolarHBondContact O-N 2.9Å; Q131-A135 PolarHBondContact O-N 3.43Å; Q131-D403 VanDerWaalsContact NE2-CG 3.31Å; Q131-D403 PolarHBondContact NE2-O 3.38Å; Q131-D403 PolarHBondContact NE2-OD2 3.29Å; Q131-Q404 HydrophobicContact CG-CG 4.24Å
132G98.9Very high98.7Very high1 Ų19 Ų91%0.016%0.059CC..Hα-helixtrans-64.9-32.4-172.300000113.4S78 A135 A136S78-G132 VanDerWaalsContact OG-CA 3.23Å; S78-G132 WeakPolarHBondContact OG-CA 3.25Å; S78-G132 PolarHBondContact OG-N 3.03Å; S78-G132 VanDerWaalsContact OG-N 3.11Å; G132-A135 PolarHBondContact O-N 2.78Å; G132-A136 WeakPolarHBondContact O-CB 3.47Å; G132-A136 PolarHBondContact O-N 2.79Å
133L98.9Very high98.7Very high0 Ų08.7 Ų8.70%06%0.057CC..Hα-helixtrans-68-37.5178.4-172.960.9000112.6Q131 A136 C137 C155 L157 V167 A170 M171 L182 A184 W215Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.37Å; L133-A136 WeakPolarHBondContact O-CB 3.26Å; L133-A136 PolarHBondContact O-N 3.09Å; L133-C137 PolarHBondContact O-N 3.28Å; L133-C137 PolarHBondContact O-SG 2.63Å; L133-C155 HydrophobicContact CD1-CB 4.08Å; L133-L157 HydrophobicContact CB-CD2 4.13Å; L133-L157 HydrophobicContact CD2-CD2 4.27Å; L133-V167 HydrophobicContact CD2-CG1 3.92Å; L133-A170 HydrophobicContact CB-CB 4.11Å; L133-A170 HydrophobicContact CD2-CB 4.03Å; L133-A170 HydrophobicContact CG-CB 3.78Å; L133-M171 HydrophobicContact CD2-CG 3.88Å; L133-M171 HydrophobicContact CD2-SD 3.79Å; L133-L182 HydrophobicContact CD1-CD2 4.41Å; L133-A184 HydrophobicContact CD1-CB 4.1Å; L133-W215 HydrophobicContact CD1-CH2 4.2Å
134G98.9Very high98.7Very high2 Ų210.5 Ų10.52%0.0216%0.064CC..Hα-helixtrans-64.8-41.6174.500000112.1Q131 A136 C137 G138 N373Q131-G134 PolarHBondContact O-N 2.9Å; G134-A136 PolarHBondContact O-N 3.46Å; G134-C137 WeakPolarHBondContact O-CB 3.26Å; G134-C137 PolarHBondContact O-N 2.88Å; G134-G138 PolarHBondContact O-N 3.03Å; G134-N373 WeakPolarHBondContact CA-OD1 3.4Å
135A98.9Very high98.7Very high4 Ų413.9 Ų13.93%0.0338%0.077CC..Hα-helixtrans-63.9-40.9173.300000112.1V124 Q131 G132 C137 G138 M139 S376 G380V124-A135 HydrophobicContact CG1-CB 4.34Å; V124-A135 HydrophobicContact CG2-CB 4.09Å; Q131-A135 PolarHBondContact O-N 3.43Å; G132-A135 PolarHBondContact O-N 2.78Å; A135-C137 VanDerWaalsContact C-N 3.29Å; A135-C137 PolarHBondContact O-N 3.25Å; A135-G138 PolarHBondContact O-N 2.72Å; A135-M139 WeakPolarHBondContact O-CG 3.36Å; A135-M139 PolarHBondContact O-N 2.86Å; A135-S376 VanDerWaalsContact CA-O 3.31Å; A135-S376 WeakPolarHBondContact CA-O 3.44Å; A135-G380 WeakPolarHBondContact O-CA 3.38Å
136A98.9Very high98.6Very high0 Ų015.1 Ų15.10%08%0.081CC..Hα-helixtrans-60.9-38.3173.500000111.9I76 G132 L133 G134 M139 A140 V153 C155 L182I76-A136 HydrophobicContact CG1-CB 4.11Å; G132-A136 WeakPolarHBondContact O-CB 3.47Å; G132-A136 PolarHBondContact O-N 2.79Å; L133-A136 WeakPolarHBondContact O-CB 3.26Å; L133-A136 PolarHBondContact O-N 3.09Å; G134-A136 PolarHBondContact O-N 3.46Å; A136-M139 PolarHBondContact O-N 3.39Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.18Å; A136-A140 PolarHBondContact O-N 2.85Å; A136-V153 HydrophobicContact CB-CG1 3.78Å; A136-C155 HydrophobicContact CB-CB 3.84Å; A136-L182 HydrophobicContact CB-CD1 3.83Å
137C99Very high98.5Very high0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-60.9-44.3173.3-69.40000111.8L133 G134 A135 M139 A140 Y141 F173 L179 V377L133-C137 PolarHBondContact O-N 3.28Å; L133-C137 PolarHBondContact O-SG 2.63Å; G134-C137 WeakPolarHBondContact O-CB 3.26Å; G134-C137 PolarHBondContact O-N 2.88Å; A135-C137 VanDerWaalsContact C-N 3.29Å; A135-C137 PolarHBondContact O-N 3.25Å; C137-M139 PolarHBondContact O-N 3.28Å; C137-A140 PolarHBondContact O-N 3.2Å; C137-Y141 WeakPolarHBondContact O-CB 3.45Å; C137-Y141 PolarHBondContact O-N 3.15Å; C137-F173 HydrophobicContact CB-CD1 3.68Å; C137-F173 HydrophobicContact CB-CE1 3.91Å; C137-L179 HydrophobicContact CB-CD1 4.11Å; C137-V377 HydrophobicContact CB-CG2 4.08Å
138G98.9Very high98.6Very high0 Ų021.8 Ų21.80%010%0.101CC..Hα-helixtrans-61.2-40.9175.400000113.5G134 A135 T142 V377 C381G134-G138 PolarHBondContact O-N 3.03Å; A135-G138 PolarHBondContact O-N 2.72Å; G138-T142 WeakPolarHBondContact O-CB 3.46Å; G138-T142 PolarHBondContact O-N 3.47Å; G138-T142 PolarHBondContact O-OG1 3.05Å; G138-V377 WeakPolarHBondContact CA-O 3.49Å; G138-C381 PolarHBondContact O-SG 3.22Å
139M98.9Very high98.5Very high4 Ų421.1 Ų21.12%0.0210%0.097CC..Hα-helixtrans-66.5-41.8175.6-65.6178.2-16700112.4R74 I76 D123 V124 A135 A136 C137 T142 G143 Y151 V153 G380 V383R74-M139 HydrophobicContact CB-SD 3.99Å; R74-M139 HydrophobicContact CG-SD 3.76Å; I76-M139 HydrophobicContact CD1-CE 3.55Å; I76-M139 HydrophobicContact CD1-SD 3.92Å; I76-M139 HydrophobicContact CG1-CE 4.45Å; I76-M139 HydrophobicContact CG1-SD 4.22Å; D123-M139 HydrophobicContact CB-CE 3.78Å; V124-M139 HydrophobicContact CG1-CE 4.03Å; A135-M139 WeakPolarHBondContact O-CG 3.36Å; A135-M139 PolarHBondContact O-N 2.86Å; A136-M139 PolarHBondContact O-N 3.39Å; C137-M139 PolarHBondContact O-N 3.28Å; M139-T142 PolarHBondContact O-N 2.66Å; M139-G143 PolarHBondContact O-N 3.03Å; M139-Y151 WeakPolarHBondContact O-CE2 3.4Å; M139-Y151 PolarHBondContact O-OH 3.43Å; M139-V153 HydrophobicContact CB-CG1 4.28Å; M139-V153 HydrophobicContact CB-CG2 3.97Å; M139-G380 WeakPolarHBondContact CG-O 3.35Å; M139-V383 HydrophobicContact CE-CB 3.91Å; M139-V383 HydrophobicContact CE-CG1 3.74Å; M139-V383 HydrophobicContact CE-CG2 3.67Å; M139-V383 HydrophobicContact SD-CG1 4.47Å
140A98.9Very high98.5Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-69.2-42.9179.700000111.1A136 C137 T142 G143 K144 V153 L179 N181 L182A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.18Å; A136-A140 PolarHBondContact O-N 2.85Å; C137-A140 PolarHBondContact O-N 3.2Å; A140-T142 VanDerWaalsContact C-N 3.34Å; A140-T142 PolarHBondContact O-N 3.49Å; A140-G143 PolarHBondContact O-N 2.85Å; A140-K144 WeakPolarHBondContact O-CB 3.45Å; A140-K144 PolarHBondContact O-N 2.94Å; A140-V153 HydrophobicContact CB-CB 4.17Å; A140-V153 HydrophobicContact CB-CG2 3.83Å; A140-L179 HydrophobicContact CB-CB 4.41Å; A140-L179 HydrophobicContact CB-CD1 4.07Å; A140-N181 PolarHBondContact O-ND2 2.87Å; A140-L182 HydrophobicContact CB-CB 3.98Å; A140-L182 HydrophobicContact CB-CD1 4.36Å
141Y98.9Very high98.5Very high14 Ų1421.2 Ų21.26%0.05510%0.102CC..Hα-helixtrans-58.1-47.8172.6-169.2-75000110.8C137 G143 K144 Y145 F146 F173 Y177 L179 V365C137-Y141 WeakPolarHBondContact O-CB 3.45Å; C137-Y141 PolarHBondContact O-N 3.15Å; Y141-G143 VanDerWaalsContact C-N 3.32Å; Y141-G143 PolarHBondContact O-N 2.81Å; Y141-K144 PolarHBondContact O-N 2.86Å; Y141-Y145 AromaticContact CD1-CD2 3.94Å; Y141-Y145 HydrophobicContact CD1-CD2 3.94Å; Y141-Y145 AromaticContact CD2-CD2 3.7Å; Y141-Y145 HydrophobicContact CD2-CD2 3.7Å; Y141-Y145 HydrophobicContact CD2-CE2 4.01Å; Y141-Y145 AromaticContact CE1-CD2 3.88Å; Y141-Y145 HydrophobicContact CE1-CD2 3.88Å; Y141-Y145 HydrophobicContact CE1-CG 4.19Å; Y141-Y145 AromaticContact CE2-CD2 3.67Å; Y141-Y145 HydrophobicContact CE2-CD2 3.67Å; Y141-Y145 AromaticContact CE2-CE2 3.98Å; Y141-Y145 HydrophobicContact CE2-CE2 3.98Å; Y141-Y145 AromaticContact CG-CD2 3.83Å; Y141-Y145 HydrophobicContact CG-CD2 3.83Å; Y141-Y145 AromaticContact CZ-CD2 3.75Å; Y141-Y145 WeakPolarHBondContact O-CB 3.38Å; Y141-Y145 PolarHBondContact O-N 2.72Å; Y141-F146 HydrophobicContact CD1-CD2 4.32Å; Y141-F146 HydrophobicContact CD1-CE1 4.45Å; Y141-F146 AromaticContact CD1-CE2 3.75Å; Y141-F146 HydrophobicContact CD1-CE2 3.75Å; Y141-F146 AromaticContact CD1-CZ 3.85Å; Y141-F146 HydrophobicContact CD1-CZ 3.85Å; Y141-F146 AromaticContact CE1-CE1 3.79Å; Y141-F146 HydrophobicContact CE1-CE1 3.79Å; Y141-F146 AromaticContact CE1-CE2 3.83Å; Y141-F146 HydrophobicContact CE1-CE2 3.83Å; Y141-F146 AromaticContact CE1-CZ 3.4Å; Y141-F146 HydrophobicContact CE1-CZ 3.4Å; Y141-F146 VanDerWaalsContact CE1-CZ 3.4Å; Y141-F173 HydrophobicContact CD2-CE1 4.02Å; Y141-F173 AromaticContact CD2-CZ 3.8Å; Y141-F173 HydrophobicContact CD2-CZ 3.8Å; Y141-F173 HydrophobicContact CE2-CZ 4.36Å; Y141-F173 HydrophobicContact CG-CZ 4.47Å; Y141-Y177 HydrophobicContact CD2-CD1 4.23Å; Y141-Y177 HydrophobicContact CD2-CD2 4.29Å; Y141-Y177 AromaticContact CD2-CG 3.96Å; Y141-Y177 HydrophobicContact CD2-CG 3.96Å; Y141-Y177 AromaticContact CE2-CD1 3.46Å; Y141-Y177 HydrophobicContact CE2-CD1 3.46Å; Y141-Y177 VanDerWaalsContact CE2-CD1 3.46Å; Y141-Y177 HydrophobicContact CE2-CD2 4.11Å; Y141-Y177 AromaticContact CE2-CE1 3.69Å; Y141-Y177 HydrophobicContact CE2-CE1 3.69Å; Y141-Y177 HydrophobicContact CE2-CE2 4.35Å; Y141-Y177 AromaticContact CE2-CG 3.65Å; Y141-Y177 HydrophobicContact CE2-CG 3.65Å; Y141-L179 HydrophobicContact CD2-CD2 4.33Å; Y141-V365 HydrophobicContact CD1-CG2 4.33Å; Y141-V365 HydrophobicContact CD2-CG1 4.36Å; Y141-V365 HydrophobicContact CE1-CG2 3.66Å; Y141-V365 HydrophobicContact CE2-CG1 3.85Å; Y141-V365 HydrophobicContact CE2-CG2 4.39Å
142T98.8Very high98.5Very high1 Ų123.8 Ų23.81%0.00611%0.112CC..Iπ-helixtrans-58.3-45.8176-64.90000111.3G138 M139 A140 K144 F146 D147 C381 R386 N387G138-T142 WeakPolarHBondContact O-CB 3.46Å; G138-T142 PolarHBondContact O-N 3.47Å; G138-T142 PolarHBondContact O-OG1 3.05Å; M139-T142 PolarHBondContact O-N 2.66Å; A140-T142 VanDerWaalsContact C-N 3.34Å; A140-T142 PolarHBondContact O-N 3.49Å; T142-K144 VanDerWaalsContact C-N 3.35Å; T142-K144 PolarHBondContact O-N 3.18Å; T142-F146 HydrophobicContact CG2-CB 4.31Å; T142-F146 HydrophobicContact CG2-CD2 4.22Å; T142-F146 CarbonylContact O-C 3.56Å; T142-F146 WeakPolarHBondContact O-CA 3.49Å; T142-F146 WeakPolarHBondContact O-CB 3.44Å; T142-F146 PolarHBondContact O-N 3.17Å; T142-D147 PolarHBondContact O-N 2.9Å; T142-C381 WeakPolarHBondContact OG1-CA 3.48Å; T142-R386 HydrophobicContact CG2-CB 3.87Å; T142-R386 HydrophobicContact CG2-CG 4.14Å; T142-N387 WeakPolarHBondContact CG2-ND2 3.32Å; T142-N387 PolarHBondContact OG1-ND2 3.49Å
143G98.6Very high98.5Very high0 Ų023.8 Ų23.80%011%0.111CC..Iπ-helixtrans-63.3-41.9-17900000112.6M139 A140 Y141 K148 A149 Y151M139-G143 PolarHBondContact O-N 3.03Å; A140-G143 PolarHBondContact O-N 2.85Å; Y141-G143 VanDerWaalsContact C-N 3.32Å; Y141-G143 PolarHBondContact O-N 2.81Å; G143-K148 CarbonylContact O-C 3.43Å; G143-K148 WeakPolarHBondContact O-CA 3.32Å; G143-K148 PolarHBondContact O-N 3.24Å; G143-A149 PolarHBondContact O-N 3.36Å; G143-Y151 WeakPolarHBondContact CA-OH 3.35Å; G143-Y151 PolarHBondContact N-OH 3.03Å
144K98.5Very high98.5Very high52 Ų5223.8 Ų23.823%0.22611%0.111CC..Iπ-helixtrans-76.7-47.8-177.1-176.8164.1-177.51540112.9A140 Y141 T142 Q178 D180A140-K144 WeakPolarHBondContact O-CB 3.45Å; A140-K144 PolarHBondContact O-N 2.94Å; Y141-K144 PolarHBondContact O-N 2.86Å; T142-K144 VanDerWaalsContact C-N 3.35Å; T142-K144 PolarHBondContact O-N 3.18Å; K144-Q178 PolarHBondContact NZ-O 2.73Å; K144-D180 IonicContact NZ-OD1 3.77Å; K144-D180 PolarHBondContact NZ-OD1 3.31Å; K144-D180 IonicContact NZ-OD2 3.72Å; K144-D180 PolarHBondContact NZ-OD2 2.74Å
145Y98.2Very high98.5Very high79 Ų7923.7 Ų23.731%0.3111%0.11SC..Iπ-helixtrans-103.5-30.5-166.5-64.3-66000114.2Y141 Y177 L179Y141-Y145 AromaticContact CD1-CD2 3.94Å; Y141-Y145 HydrophobicContact CD1-CD2 3.94Å; Y141-Y145 AromaticContact CD2-CD2 3.7Å; Y141-Y145 HydrophobicContact CD2-CD2 3.7Å; Y141-Y145 HydrophobicContact CD2-CE2 4.01Å; Y141-Y145 AromaticContact CE1-CD2 3.88Å; Y141-Y145 HydrophobicContact CE1-CD2 3.88Å; Y141-Y145 HydrophobicContact CE1-CG 4.19Å; Y141-Y145 AromaticContact CE2-CD2 3.67Å; Y141-Y145 HydrophobicContact CE2-CD2 3.67Å; Y141-Y145 AromaticContact CE2-CE2 3.98Å; Y141-Y145 HydrophobicContact CE2-CE2 3.98Å; Y141-Y145 AromaticContact CG-CD2 3.83Å; Y141-Y145 HydrophobicContact CG-CD2 3.83Å; Y141-Y145 AromaticContact CZ-CD2 3.75Å; Y141-Y145 WeakPolarHBondContact O-CB 3.38Å; Y141-Y145 PolarHBondContact O-N 2.72Å; Y145-Y177 WeakPolarHBondContact CE2-O 3.36Å; Y145-Y177 PolarHBondContact OH-O 3.38Å; Y145-L179 HydrophobicContact CD2-CD2 4.49Å; Y145-L179 HydrophobicContact CE2-CD2 3.88Å
146F96.9Very high98.5Very high32 Ų3223.5 Ų23.514%0.1411%0.109CC..Iπ-helixtrans-101-59.1-177.3-56.8-34.5000112.3Y141 T142 V341 N362 V365Y141-F146 HydrophobicContact CD1-CD2 4.32Å; Y141-F146 HydrophobicContact CD1-CE1 4.45Å; Y141-F146 AromaticContact CD1-CE2 3.75Å; Y141-F146 HydrophobicContact CD1-CE2 3.75Å; Y141-F146 AromaticContact CD1-CZ 3.85Å; Y141-F146 HydrophobicContact CD1-CZ 3.85Å; Y141-F146 AromaticContact CE1-CE1 3.79Å; Y141-F146 HydrophobicContact CE1-CE1 3.79Å; Y141-F146 AromaticContact CE1-CE2 3.83Å; Y141-F146 HydrophobicContact CE1-CE2 3.83Å; Y141-F146 AromaticContact CE1-CZ 3.4Å; Y141-F146 HydrophobicContact CE1-CZ 3.4Å; Y141-F146 VanDerWaalsContact CE1-CZ 3.4Å; T142-F146 HydrophobicContact CG2-CB 4.31Å; T142-F146 HydrophobicContact CG2-CD2 4.22Å; T142-F146 CarbonylContact O-C 3.56Å; T142-F146 WeakPolarHBondContact O-CA 3.49Å; T142-F146 WeakPolarHBondContact O-CB 3.44Å; T142-F146 PolarHBondContact O-N 3.17Å; F146-V341 HydrophobicContact CD2-CG1 4.23Å; F146-V341 HydrophobicContact CE1-CG1 4.13Å; F146-V341 HydrophobicContact CE2-CB 4.24Å; F146-V341 HydrophobicContact CE2-CG1 3.72Å; F146-V341 HydrophobicContact CZ-CB 4.09Å; F146-V341 HydrophobicContact CZ-CG1 3.65Å; F146-N362 WeakPolarHBondContact CE1-O 3.41Å; F146-V365 HydrophobicContact CZ-CG2 4.09Å
147D97.4Very high98.5Very high7 Ų723.5 Ų23.54%0.03711%0.109CC..Iπ-helixtrans-76.6-28-179.3-72.8-20.4000112T142 A149 Y151 T298 R339 R386T142-D147 PolarHBondContact O-N 2.9Å; D147-A149 HydrophobicContact CB-CB 4.19Å; D147-A149 PolarHBondContact O-N 3.1Å; D147-Y151 HydrophobicContact CB-CE1 4.36Å; D147-T298 HydrophobicContact CB-CG2 4.32Å; D147-R339 IonicContact OD1-NH1 3.61Å; D147-R339 IonicContact OD1-NH2 2.76Å; D147-R339 PolarHBondContact OD1-NH2 3.4Å; D147-R386 IonicContact OD1-CZ 3.29Å; D147-R386 IonicContact OD1-NE 3.96Å; D147-R386 PolarHBondContact OD1-NE 3.2Å; D147-R386 IonicContact OD1-NH2 3.42Å; D147-R386 PolarHBondContact OD1-NH2 2.93Å; D147-R386 IonicContact OD2-CZ 2.73Å; D147-R386 IonicContact OD2-NE 2.72Å; D147-R386 PolarHBondContact OD2-NE 3.29Å; D147-R386 IonicContact OD2-NH2 3.01Å; D147-R386 PolarHBondContact OD2-NH2 2.88Å
148K97.4Very high98.5Very high166 Ų16623.8 Ų23.872%0.72211%0.112SC*.  trans51.242.2-176.9-57.8179.2-177.81750112.2G143G143-K148 CarbonylContact O-C 3.43Å; G143-K148 WeakPolarHBondContact O-CA 3.32Å; G143-K148 PolarHBondContact O-N 3.24Å
149A97.4Very high98.4Very high14 Ų1424 Ų2412%0.11611%0.113CC..  trans-106.4161.6-173.600000111.5G143 D147 Y151 D297 T298G143-A149 PolarHBondContact O-N 3.36Å; D147-A149 HydrophobicContact CB-CB 4.19Å; D147-A149 PolarHBondContact O-N 3.1Å; A149-Y151 VanDerWaalsContact C-N 3.29Å; A149-Y151 HydrophobicContact CB-CD1 3.69Å; A149-Y151 HydrophobicContact CB-CE1 3.99Å; A149-Y151 PolarHBondContact O-N 2.92Å; A149-D297 WeakPolarHBondContact CB-OD1 3.39Å; A149-T298 HydrophobicContact CB-CG2 3.33Å
150S97.8Very high98.4Very high56 Ų5625 Ų2539%0.39213%0.125SC..SBendtrans-80.7-4.7-174.358.40000114.9N295 D297S150-N295 WeakPolarHBondContact OG-CB 3.3Å; S150-N295 PolarHBondContact OG-ND2 2.9Å; S150-N295 VanDerWaalsContact OG-ND2 3.12Å; S150-D297 WeakPolarHBondContact CB-OD2 3.38Å; S150-D297 PolarHBondContact N-OD1 2.63Å; S150-D297 PolarHBondContact N-OD2 3.38Å; S150-D297 PolarHBondContact OG-OD1 2.88Å; S150-D297 PolarHBondContact OG-OD2 3.33Å
151Y98.5Very high98.4Very high4 Ų425.3 Ų25.32%0.01613%0.126CC..  trans-62.9142.1-178.273.7-105.2000112.2D73 M139 G143 D147 A149 V153 T298D73-Y151 WeakPolarHBondContact OD1-CA 3.36Å; M139-Y151 WeakPolarHBondContact O-CE2 3.4Å; M139-Y151 PolarHBondContact O-OH 3.43Å; G143-Y151 WeakPolarHBondContact CA-OH 3.35Å; G143-Y151 PolarHBondContact N-OH 3.03Å; D147-Y151 HydrophobicContact CB-CE1 4.36Å; A149-Y151 VanDerWaalsContact C-N 3.29Å; A149-Y151 HydrophobicContact CB-CD1 3.69Å; A149-Y151 HydrophobicContact CB-CE1 3.99Å; A149-Y151 PolarHBondContact O-N 2.92Å; Y151-V153 HydrophobicContact CD2-CG2 4.27Å; Y151-V153 HydrophobicContact CE2-CG2 4.1Å; Y151-T298 HydrophobicContact CD1-CG2 3.87Å; Y151-T298 HydrophobicContact CE1-CG2 3.89Å
152R98.7Very high98.3Very high64 Ų6424.8 Ų24.824%0.24212%0.124CC..  trans-103.5160.5175.9-71.2161.158.5133.9-16110.4D73 R74 F154 N181 L232 R236D73-R152 CarbonylContact C-O 3.59Å; D73-R152 WeakPolarHBondContact CA-O 3.15Å; D73-R152 PolarHBondContact OD1-N 3.28Å; R74-R152 PolarHBondContact N-O 2.97Å; R152-F154 HydrophobicContact CB-CE2 3.77Å; R152-F154 HydrophobicContact CB-CZ 4.09Å; R152-N181 WeakPolarHBondContact CA-O 3.24Å; R152-L232 PolarHBondContact NH2-O 3.1Å; R152-R236 VanDerWaalsContact NH2-NH2 3.11Å
153V98.9Very high98.3Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-122.5129.2178.2-172.10000109.2R74 A136 M139 A140 Y151 N181 L182 V183R74-V153 HydrophobicContact CB-CB 4.4Å; R74-V153 HydrophobicContact CB-CG1 4.02Å; R74-V153 HydrophobicContact CB-CG2 4.15Å; R74-V153 WeakPolarHBondContact O-CA 3.14Å; A136-V153 HydrophobicContact CB-CG1 3.78Å; M139-V153 HydrophobicContact CB-CG1 4.28Å; M139-V153 HydrophobicContact CB-CG2 3.97Å; A140-V153 HydrophobicContact CB-CB 4.17Å; A140-V153 HydrophobicContact CB-CG2 3.83Å; Y151-V153 HydrophobicContact CD2-CG2 4.27Å; Y151-V153 HydrophobicContact CE2-CG2 4.1Å; V153-N181 PolarHBondContact N-O 3.27Å; V153-L182 HydrophobicContact CB-CD1 3.92Å; V153-L182 HydrophobicContact CG1-CD1 3.94Å; V153-L182 CarbonylContact O-C 3.58Å; V153-L182 WeakPolarHBondContact O-CA 3.46Å; V153-V183 PolarHBondContact O-N 3.27Å
154F98.9Very high98.3Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-118.6128.7179.3-58.9-92.7000109.3L55 M60 D73 R74 F75 I76 R152 V183 I185 L232L55-F154 HydrophobicContact CD2-CB 4.46Å; L55-F154 HydrophobicContact CD2-CD1 3.55Å; L55-F154 HydrophobicContact CD2-CE1 3.96Å; L55-F154 HydrophobicContact CD2-CG 4.09Å; M60-F154 HydrophobicContact CG-CD2 3.7Å; M60-F154 HydrophobicContact CG-CE2 3.63Å; M60-F154 HydrophobicContact CG-CG 4.42Å; M60-F154 HydrophobicContact CG-CZ 4.29Å; M60-F154 HydrophobicContact SD-CD2 4.19Å; D73-F154 HydrophobicContact CB-CD2 4.45Å; D73-F154 HydrophobicContact CB-CE2 4.1Å; R74-F154 PolarHBondContact O-N 3.48Å; F75-F154 CarbonylContact C-O 3.04Å; F75-F154 WeakPolarHBondContact CA-O 3.28Å; F75-F154 HydrophobicContact CD2-CB 4.14Å; I76-F154 PolarHBondContact N-O 3.26Å; R152-F154 HydrophobicContact CB-CE2 3.77Å; R152-F154 HydrophobicContact CB-CZ 4.09Å; F154-V183 CarbonylContact C-O 3.27Å; F154-V183 WeakPolarHBondContact CA-O 3.33Å; F154-V183 HydrophobicContact CD1-CB 3.67Å; F154-V183 HydrophobicContact CD1-CG1 4.24Å; F154-V183 HydrophobicContact CD1-CG2 3.69Å; F154-V183 HydrophobicContact CE1-CB 4.14Å; F154-V183 HydrophobicContact CE1-CG2 3.63Å; F154-V183 HydrophobicContact CG-CB 4.48Å; F154-I185 HydrophobicContact CB-CD1 4.36Å; F154-I185 HydrophobicContact CD1-CD1 4.43Å; F154-L232 HydrophobicContact CD1-CD2 4.24Å; F154-L232 HydrophobicContact CE1-CD2 3.8Å
155C98.9Very high98.4Very high0 Ų032.3 Ų32.30%018%0.18CC..EExtended strand (participates in β ladder)trans-123.9123.4179.6-1700000109.7I76 L133 A136 L157 V183 A184 I185I76-C155 HydrophobicContact CB-CB 4.42Å; I76-C155 WeakPolarHBondContact O-CA 3.39Å; L133-C155 HydrophobicContact CD1-CB 4.08Å; A136-C155 HydrophobicContact CB-CB 3.84Å; C155-L157 HydrophobicContact CB-CD1 4.37Å; C155-V183 PolarHBondContact N-O 3.27Å; C155-A184 CarbonylContact O-C 3.55Å; C155-A184 WeakPolarHBondContact O-CA 3.41Å; C155-I185 PolarHBondContact O-N 3.39Å
156L98.9Very high98.4Very high0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-103.2118.3178.5178.960.3000110.3V48 I51 M52 F75 I76 L77 S78 K79 I185 D187V48-L156 HydrophobicContact CB-CD2 3.95Å; V48-L156 HydrophobicContact CG1-CD1 4.18Å; V48-L156 HydrophobicContact CG1-CD2 3.99Å; V48-L156 HydrophobicContact CG1-CG 4.48Å; V48-L156 HydrophobicContact CG2-CD2 4.16Å; I51-L156 HydrophobicContact CD1-CD1 4.47Å; I51-L156 HydrophobicContact CG2-CD1 4.12Å; M52-L156 HydrophobicContact SD-CD2 3.69Å; F75-L156 HydrophobicContact CE2-CB 4.03Å; F75-L156 HydrophobicContact CZ-CB 3.97Å; F75-L156 HydrophobicContact CZ-CD2 4.2Å; I76-L156 PolarHBondContact O-N 3.31Å; L77-L156 HydrophobicContact CD1-CB 4.29Å; L77-L156 HydrophobicContact CD1-CD2 3.76Å; L77-L156 HydrophobicContact CD1-CG 4.24Å; S78-L156 WeakPolarHBondContact CA-O 3.24Å; S78-L156 VanDerWaalsContact CB-O 3.24Å; S78-L156 WeakPolarHBondContact CB-O 3.32Å; S78-L156 PolarHBondContact N-O 3.36Å; K79-L156 HydrophobicContact CD-CG 4.25Å; K79-L156 HydrophobicContact CG-CG 4.27Å; K79-L156 PolarHBondContact N-O 2.83Å; L156-I185 HydrophobicContact CD1-CB 3.98Å; L156-I185 HydrophobicContact CD1-CG2 3.97Å; L156-D187 HydrophobicContact CD1-CB 4.39Å
157L98.9Very high98.5Very high0 Ų027.2 Ų27.20%016%0.16CC..EExtended strand (participates in β ladder)trans-114.7154.2-177.7-56.793.9000111.6L133 C155 E161 V162 V167 A184 I185 D187L133-L157 HydrophobicContact CB-CD2 4.13Å; L133-L157 HydrophobicContact CD2-CD2 4.27Å; C155-L157 HydrophobicContact CB-CD1 4.37Å; L157-E161 VanDerWaalsContact CA-OE2 3.25Å; L157-E161 WeakPolarHBondContact CA-OE2 3.44Å; L157-V162 HydrophobicContact CB-CG1 4.49Å; L157-V162 HydrophobicContact CD2-CG1 4.36Å; L157-V167 HydrophobicContact CD2-CG1 3.96Å; L157-V167 HydrophobicContact CD2-CG2 4.15Å; L157-A184 HydrophobicContact CD1-CB 3.97Å; L157-I185 PolarHBondContact N-O 3.01Å; L157-D187 VanDerWaalsContact O-CB 3.31Å; L157-D187 WeakPolarHBondContact O-CB 3.49Å; L157-D187 PolarHBondContact O-N 3.4Å
158G98.8Very high98.6Very high6 Ų628.8 Ų28.86%0.06217%0.166CC..EExtended strand (participates in β ladder)trans-88.3155.1165.900000112.8E161 V162G158-E161 PolarHBondContact N-OE2 3Å; G158-E161 WeakPolarHBondContact O-CB 3.41Å; G158-E161 PolarHBondContact O-N 3.4Å; G158-V162 PolarHBondContact O-N 3.28Å
159D98.4Very high98.6Very high4 Ų423.2 Ų23.22%0.02114%0.142CC..THydrogen-bonded Turntrans-66.7-37.4173.354.4-8.6000114.7E161 V162 D187 I188 N189 R190 L191 A197 Y206D159-E161 VanDerWaalsContact C-N 3.27Å; D159-E161 PolarHBondContact O-N 2.83Å; D159-V162 WeakPolarHBondContact O-CG2 3.4Å; D159-V162 PolarHBondContact O-N 3.22Å; D159-D187 PolarHBondContact N-O 2.81Å; D159-I188 HydrophobicContact CB-CD1 3.86Å; D159-I188 HydrophobicContact CB-CG2 4.42Å; D159-N189 PolarHBondContact OD2-N 3.26Å; D159-R190 VanDerWaalsContact OD2-CA 3.28Å; D159-R190 WeakPolarHBondContact OD2-CA 3.39Å; D159-R190 PolarHBondContact OD2-N 3.34Å; D159-L191 PolarHBondContact OD2-N 3.37Å; D159-A197 HydrophobicContact CB-CB 4.11Å; D159-Y206 HydrophobicContact CB-CE1 4.43Å
160G98.1Very high98.7Very high27 Ų2722.5 Ų22.528%0.27814%0.136SC..THydrogen-bonded Turntrans-62-38.6170.100000112V162 S163G160-V162 PolarHBondContact O-N 2.96Å; G160-S163 VanDerWaalsContact O-CB 3.29Å; G160-S163 WeakPolarHBondContact O-CB 3.19Å; G160-S163 PolarHBondContact O-N 3.08Å; G160-S163 PolarHBondContact O-OG 3.39Å
161E98.7Very high98.8Very high5 Ų519.9 Ų19.92%0.02312%0.118CC..G310 helixtrans-65-32.3-179.8157.5176.7-14600113.1S78 K79 L129 G130 L157 G158 D159 S163 E164 V167S78-E161 WeakPolarHBondContact CB-OE1 3.5Å; S78-E161 PolarHBondContact OG-OE1 3.38Å; K79-E161 PolarHBondContact N-OE2 3.19Å; L129-E161 HydrophobicContact CB-CB 4.11Å; L129-E161 HydrophobicContact CB-CG 4.09Å; L129-E161 HydrophobicContact CD1-CB 4.28Å; L129-E161 HydrophobicContact CD2-CB 4.25Å; L129-E161 HydrophobicContact CG-CB 4.45Å; G130-E161 PolarHBondContact N-OE1 2.82Å; L157-E161 VanDerWaalsContact CA-OE2 3.25Å; L157-E161 WeakPolarHBondContact CA-OE2 3.44Å; G158-E161 PolarHBondContact N-OE2 3Å; G158-E161 WeakPolarHBondContact O-CB 3.41Å; G158-E161 PolarHBondContact O-N 3.4Å; D159-E161 VanDerWaalsContact C-N 3.27Å; D159-E161 PolarHBondContact O-N 2.83Å; E161-S163 PolarHBondContact O-N 3.28Å; E161-E164 WeakPolarHBondContact O-CB 3.44Å; E161-E164 WeakPolarHBondContact O-CG 3.19Å; E161-E164 PolarHBondContact O-N 3.1Å; E161-V167 HydrophobicContact CG-CG2 4.42Å
162V98.1Very high98.8Very high3 Ų321.7 Ų21.72%0.01813%0.134CC..G310 helixtrans-70.45.8176.6-54.60000113.8L157 G158 D159 G160 E164 V167 W168 M186 Y206L157-V162 HydrophobicContact CB-CG1 4.49Å; L157-V162 HydrophobicContact CD2-CG1 4.36Å; G158-V162 PolarHBondContact O-N 3.28Å; D159-V162 WeakPolarHBondContact O-CG2 3.4Å; D159-V162 PolarHBondContact O-N 3.22Å; G160-V162 PolarHBondContact O-N 2.96Å; V162-E164 VanDerWaalsContact C-N 3.33Å; V162-V167 HydrophobicContact CB-CG1 4.42Å; V162-V167 HydrophobicContact CG1-CG1 4.24Å; V162-W168 HydrophobicContact CB-CZ2 4.44Å; V162-W168 PolarHBondContact O-NE1 3.21Å; V162-M186 HydrophobicContact CG1-CE 4.39Å; V162-M186 HydrophobicContact CG1-CG 4.49Å; V162-M186 HydrophobicContact CG1-SD 4.22Å; V162-Y206 HydrophobicContact CG2-CD1 4.18Å; V162-Y206 HydrophobicContact CG2-CE1 3.72Å
163S98.7Very high98.8Very high77 Ų7719 Ų1954%0.53812%0.124SC..G310 helixtrans-77.8-20.5165.6-50.70000112.4G160 E161G160-S163 VanDerWaalsContact O-CB 3.29Å; G160-S163 WeakPolarHBondContact O-CB 3.19Å; G160-S163 PolarHBondContact O-N 3.08Å; G160-S163 PolarHBondContact O-OG 3.39Å; E161-S163 PolarHBondContact O-N 3.28Å
164E98.9Very high98.8Very high93 Ų9319 Ų1944%0.43512%0.124SC..SBendtrans-68.9131178.6-68.1-66.1172.300111.4E161 V162 A166 V167E161-E164 WeakPolarHBondContact O-CB 3.44Å; E161-E164 WeakPolarHBondContact O-CG 3.19Å; E161-E164 PolarHBondContact O-N 3.1Å; V162-E164 VanDerWaalsContact C-N 3.33Å; E164-A166 VanDerWaalsContact C-N 3.28Å; E164-A166 PolarHBondContact O-N 3.33Å; E164-V167 HydrophobicContact CB-CG2 4.23Å; E164-V167 WeakPolarHBondContact O-CB 3.21Å; E164-V167 PolarHBondContact O-N 3.39Å
165G98.9Very high98.8Very high41 Ų4120.5 Ų20.542%0.42313%0.134SC..Hα-helixtrans-59.1-37.8-179.900000113.2V167 W168 E169G165-V167 PolarHBondContact O-N 3.15Å; G165-V167 VanDerWaalsContact O-N 3.15Å; G165-W168 PolarHBondContact O-N 3.15Å; G165-E169 PolarHBondContact O-N 3.21Å; G165-E169 VanDerWaalsContact O-N 3.12Å
166A98.8Very high98.8Very high5 Ų526.6 Ų26.64%0.04116%0.158CC..Hα-helixtrans-55.2-32.2177.600000113.6E164 W168 E169 A170 Q372E164-A166 VanDerWaalsContact C-N 3.28Å; E164-A166 PolarHBondContact O-N 3.33Å; A166-W168 VanDerWaalsContact C-N 3.3Å; A166-W168 PolarHBondContact O-N 2.81Å; A166-E169 PolarHBondContact O-N 3.3Å; A166-A170 WeakPolarHBondContact O-CB 3.24Å; A166-A170 PolarHBondContact O-N 3.17Å; A166-Q372 HydrophobicContact CB-CB 4.22Å
167V98.9Very high98.8Very high0 Ų028 Ų280%016%0.164CC..Hα-helixtrans-62.2-42.8175.9175.40000110L133 L157 E161 V162 E164 G165 A170 M171L133-V167 HydrophobicContact CD2-CG1 3.92Å; L157-V167 HydrophobicContact CD2-CG1 3.96Å; L157-V167 HydrophobicContact CD2-CG2 4.15Å; E161-V167 HydrophobicContact CG-CG2 4.42Å; V162-V167 HydrophobicContact CB-CG1 4.42Å; V162-V167 HydrophobicContact CG1-CG1 4.24Å; E164-V167 HydrophobicContact CB-CG2 4.23Å; E164-V167 WeakPolarHBondContact O-CB 3.21Å; E164-V167 PolarHBondContact O-N 3.39Å; G165-V167 PolarHBondContact O-N 3.15Å; G165-V167 VanDerWaalsContact O-N 3.15Å; V167-A170 PolarHBondContact O-N 3Å; V167-M171 HydrophobicContact CG1-CG 4.38Å; V167-M171 WeakPolarHBondContact O-CG 3.15Å; V167-M171 PolarHBondContact O-N 2.96Å
168W98.9Very high98.8Very high40 Ų4033.9 Ų33.915%0.15219%0.191CC..Hα-helixtrans-75.6-32.5-177.5-59.797.8000112.5V162 G165 A166 A170 M171 A172 R209 F213V162-W168 HydrophobicContact CB-CZ2 4.44Å; V162-W168 PolarHBondContact O-NE1 3.21Å; G165-W168 PolarHBondContact O-N 3.15Å; A166-W168 VanDerWaalsContact C-N 3.3Å; A166-W168 PolarHBondContact O-N 2.81Å; W168-A170 VanDerWaalsContact C-N 3.34Å; W168-M171 HydrophobicContact CE3-CG 4.45Å; W168-M171 PolarHBondContact O-N 2.89Å; W168-A172 PolarHBondContact O-N 2.91Å; W168-R209 HydrophobicContact CH2-CB 3.51Å; W168-R209 HydrophobicContact CH2-CG 4.16Å; W168-R209 HydrophobicContact CZ3-CB 3.74Å; W168-F213 HydrophobicContact CB-CE1 3.91Å; W168-F213 HydrophobicContact CB-CZ 4.06Å; W168-F213 HydrophobicContact CD2-CE2 4.48Å; W168-F213 HydrophobicContact CD2-CZ 4.26Å; W168-F213 HydrophobicContact CE3-CD1 4.19Å; W168-F213 AromaticContact CE3-CD2 3.82Å; W168-F213 HydrophobicContact CE3-CD2 3.82Å; W168-F213 AromaticContact CE3-CE1 3.99Å; W168-F213 HydrophobicContact CE3-CE1 3.99Å; W168-F213 AromaticContact CE3-CE2 3.58Å; W168-F213 HydrophobicContact CE3-CE2 3.58Å; W168-F213 HydrophobicContact CE3-CG 4.11Å; W168-F213 AromaticContact CE3-CZ 3.67Å; W168-F213 HydrophobicContact CE3-CZ 3.67Å; W168-F213 HydrophobicContact CG-CZ 4.45Å; W168-F213 AromaticContact CZ3-CD2 4Å; W168-F213 HydrophobicContact CZ3-CD2 4Å; W168-F213 HydrophobicContact CZ3-CE2 4.04Å; W168-F213 HydrophobicContact CZ3-CG 4.46Å; W168-F213 WeakPolarHBondContact O-CE1 3.32Å
169E98.9Very high98.8Very high48 Ų4833.6 Ų33.622%0.22419%0.188CC..Hα-helixtrans-58.7-46.1167.1-66.2178.9-168.600111G165 A166 A172 F173 A370 Q372 N373G165-E169 PolarHBondContact O-N 3.21Å; G165-E169 VanDerWaalsContact O-N 3.12Å; A166-E169 PolarHBondContact O-N 3.3Å; E169-A172 PolarHBondContact O-N 2.95Å; E169-F173 WeakPolarHBondContact O-CB 3.43Å; E169-F173 PolarHBondContact O-N 3.13Å; E169-A370 HydrophobicContact CB-CB 4.09Å; E169-A370 HydrophobicContact CG-CB 3.89Å; E169-A370 WeakPolarHBondContact OE2-CB 3.44Å; E169-Q372 WeakPolarHBondContact OE2-CB 3.45Å; E169-N373 HydrophobicContact CB-CB 3.54Å; E169-N373 WeakPolarHBondContact OE2-CB 3.37Å; E169-N373 PolarHBondContact OE2-N 2.82Å
170A98.9Very high98.8Very high0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-67-38.1177.300000112.9L133 A166 V167 W168 F173 A174 N373L133-A170 HydrophobicContact CB-CB 4.11Å; L133-A170 HydrophobicContact CD2-CB 4.03Å; L133-A170 HydrophobicContact CG-CB 3.78Å; A166-A170 WeakPolarHBondContact O-CB 3.24Å; A166-A170 PolarHBondContact O-N 3.17Å; V167-A170 PolarHBondContact O-N 3Å; W168-A170 VanDerWaalsContact C-N 3.34Å; A170-F173 PolarHBondContact O-N 2.71Å; A170-A174 WeakPolarHBondContact O-CB 3.38Å; A170-A174 PolarHBondContact O-N 3.31Å; A170-N373 WeakPolarHBondContact CA-OD1 3.43Å; A170-N373 WeakPolarHBondContact CB-OD1 3.4Å
171M98.9Very high98.8Very high0 Ų035.1 Ų35.10%019%0.19CC..Hα-helixtrans-60.1-45.7173.5-68.9-73.9-71.600111L133 V167 W168 A174 S175 M186 C210 F213 W215L133-M171 HydrophobicContact CD2-CG 3.88Å; L133-M171 HydrophobicContact CD2-SD 3.79Å; V167-M171 HydrophobicContact CG1-CG 4.38Å; V167-M171 WeakPolarHBondContact O-CG 3.15Å; V167-M171 PolarHBondContact O-N 2.96Å; W168-M171 HydrophobicContact CE3-CG 4.45Å; W168-M171 PolarHBondContact O-N 2.89Å; M171-A174 PolarHBondContact O-N 3.33Å; M171-S175 PolarHBondContact O-N 3.47Å; M171-S175 PolarHBondContact O-OG 3.27Å; M171-M186 HydrophobicContact CE-CE 4.12Å; M171-M186 HydrophobicContact SD-CE 4.21Å; M171-C210 HydrophobicContact CE-CB 3.91Å; M171-F213 HydrophobicContact CB-CB 4.21Å; M171-F213 HydrophobicContact CB-CD1 3.96Å; M171-F213 HydrophobicContact CB-CG 4.34Å; M171-W215 HydrophobicContact CE-CB 4.23Å; M171-W215 HydrophobicContact CE-CD2 3.59Å; M171-W215 HydrophobicContact CE-CE3 4.26Å; M171-W215 HydrophobicContact CE-CG 3.54Å; M171-W215 HydrophobicContact CE-CZ2 4.36Å; M171-W215 PolarHBondContact O-NE1 2.92Å; M171-W215 HydrophobicContact SD-CD2 3.8Å; M171-W215 HydrophobicContact SD-CE3 4.28Å; M171-W215 HydrophobicContact SD-CG 4.33Å; M171-W215 HydrophobicContact SD-CH2 3.99Å; M171-W215 HydrophobicContact SD-CZ2 3.45Å; M171-W215 WeakPolarHBondContact SD-CZ2 3.48Å; M171-W215 HydrophobicContact SD-CZ3 4.38Å
172A98.9Very high98.8Very high43 Ų4334.9 Ų34.936%0.35519%0.189SC..Hα-helixtrans-65.1-40.9177.200000112.1W168 E169 S175 Y176 F213W168-A172 PolarHBondContact O-N 2.91Å; E169-A172 PolarHBondContact O-N 2.95Å; A172-S175 PolarHBondContact O-OG 2.86Å; A172-S175 VanDerWaalsContact O-OG 3.1Å; A172-Y176 VanDerWaalsContact O-CB 3.31Å; A172-Y176 WeakPolarHBondContact O-CB 3.39Å; A172-Y176 PolarHBondContact O-N 2.98Å; A172-F213 HydrophobicContact CB-CD1 4.1Å; A172-F213 HydrophobicContact CB-CE1 4.35Å
173F98.9Very high98.8Very high8 Ų834.7 Ų34.74%0.03519%0.188CC..Hα-helixtrans-59.6-48.3175.7179.4-83.5000111.9C137 Y141 E169 A170 S175 Y176 Y177 L179 V365 N373 V377C137-F173 HydrophobicContact CB-CD1 3.68Å; C137-F173 HydrophobicContact CB-CE1 3.91Å; Y141-F173 HydrophobicContact CD2-CE1 4.02Å; Y141-F173 AromaticContact CD2-CZ 3.8Å; Y141-F173 HydrophobicContact CD2-CZ 3.8Å; Y141-F173 HydrophobicContact CE2-CZ 4.36Å; Y141-F173 HydrophobicContact CG-CZ 4.47Å; E169-F173 WeakPolarHBondContact O-CB 3.43Å; E169-F173 PolarHBondContact O-N 3.13Å; A170-F173 PolarHBondContact O-N 2.71Å; F173-S175 VanDerWaalsContact C-N 3.35Å; F173-S175 PolarHBondContact O-N 2.93Å; F173-Y176 PolarHBondContact O-N 2.7Å; F173-Y177 AromaticContact CD1-CD2 3.95Å; F173-Y177 HydrophobicContact CD1-CD2 3.95Å; F173-Y177 AromaticContact CD2-CD2 3.68Å; F173-Y177 HydrophobicContact CD2-CD2 3.68Å; F173-Y177 AromaticContact CD2-CE2 3.62Å; F173-Y177 HydrophobicContact CD2-CE2 3.62Å; F173-Y177 AromaticContact CE1-CD2 3.72Å; F173-Y177 HydrophobicContact CE1-CD2 3.72Å; F173-Y177 HydrophobicContact CE1-CE2 4.36Å; F173-Y177 HydrophobicContact CE1-CG 4.49Å; F173-Y177 AromaticContact CE2-CD2 3.46Å; F173-Y177 HydrophobicContact CE2-CD2 3.46Å; F173-Y177 VanDerWaalsContact CE2-CD2 3.46Å; F173-Y177 AromaticContact CE2-CE2 3.24Å; F173-Y177 HydrophobicContact CE2-CE2 3.24Å; F173-Y177 AromaticContact CG-CD2 3.92Å; F173-Y177 HydrophobicContact CG-CD2 3.92Å; F173-Y177 HydrophobicContact CG-CE2 4.32Å; F173-Y177 AromaticContact CZ-CD2 3.46Å; F173-Y177 HydrophobicContact CZ-CD2 3.46Å; F173-Y177 VanDerWaalsContact CZ-CD2 3.46Å; F173-Y177 AromaticContact CZ-CE2 3.65Å; F173-Y177 HydrophobicContact CZ-CE2 3.65Å; F173-Y177 HydrophobicContact CZ-CG 4.39Å; F173-Y177 WeakPolarHBondContact O-CD2 3.1Å; F173-Y177 PolarHBondContact O-N 3.23Å; F173-L179 HydrophobicContact CD1-CD1 4.18Å; F173-L179 HydrophobicContact CE1-CD1 4.04Å; F173-V365 HydrophobicContact CE2-CG1 3.75Å; F173-V365 HydrophobicContact CZ-CG1 3.79Å; F173-N373 VanDerWaalsContact CB-ND2 3.34Å; F173-N373 WeakPolarHBondContact CB-ND2 3Å; F173-V377 HydrophobicContact CD1-CG2 4.25Å; F173-V377 HydrophobicContact CD2-CG2 4.31Å; F173-V377 HydrophobicContact CE1-CG1 4.28Å; F173-V377 HydrophobicContact CE1-CG2 4.06Å; F173-V377 HydrophobicContact CE2-CG1 4.14Å; F173-V377 HydrophobicContact CE2-CG2 4.1Å; F173-V377 HydrophobicContact CG-CG2 4.38Å; F173-V377 HydrophobicContact CZ-CG1 3.7Å; F173-V377 HydrophobicContact CZ-CG2 3.99Å
174A98.9Very high98.9Very high0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-64.1-38.1-176.100000113.2A170 M171 Q178 L179 L182 W215 P239A170-A174 WeakPolarHBondContact O-CB 3.38Å; A170-A174 PolarHBondContact O-N 3.31Å; M171-A174 PolarHBondContact O-N 3.33Å; A174-Q178 PolarHBondContact O-N 2.58Å; A174-L179 HydrophobicContact CB-CB 4.35Å; A174-L179 HydrophobicContact CB-CD1 4.07Å; A174-L179 HydrophobicContact CB-CG 4.42Å; A174-L179 PolarHBondContact O-N 2.92Å; A174-L182 HydrophobicContact CB-CD2 3.9Å; A174-W215 HydrophobicContact CB-CH2 4.12Å; A174-W215 HydrophobicContact CB-CZ2 3.29Å; A174-P239 HydrophobicContact CB-CB 4.22Å; A174-P239 HydrophobicContact CB-CG 4.27Å
175S98.8Very high98.9Very high30 Ų3026.7 Ų26.721%0.2114%0.142CC..Hα-helixtrans-74-42.3177.661.10000111.6M171 A172 F173 Y177 Q178 F213M171-S175 PolarHBondContact O-N 3.47Å; M171-S175 PolarHBondContact O-OG 3.27Å; A172-S175 PolarHBondContact O-OG 2.86Å; A172-S175 VanDerWaalsContact O-OG 3.1Å; F173-S175 VanDerWaalsContact C-N 3.35Å; F173-S175 PolarHBondContact O-N 2.93Å; S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.98Å; S175-Q178 PolarHBondContact O-N 3.07Å; S175-F213 WeakPolarHBondContact CB-O 3.42Å; S175-F213 PolarHBondContact OG-O 2.74Å
176Y98.8Very high98.9Very high129 Ų12924.8 Ų24.851%0.50612%0.122SC..Hα-helixtrans-56.6-46.6175.5179.3-96.5000111.6A172 F173 Q178 Y368A172-Y176 VanDerWaalsContact O-CB 3.31Å; A172-Y176 WeakPolarHBondContact O-CB 3.39Å; A172-Y176 PolarHBondContact O-N 2.98Å; F173-Y176 PolarHBondContact O-N 2.7Å; Y176-Q178 VanDerWaalsContact C-N 3.26Å; Y176-Q178 PolarHBondContact O-N 2.78Å; Y176-Y368 AromaticContact CD1-CE2 3.86Å; Y176-Y368 HydrophobicContact CD1-CE2 3.86Å; Y176-Y368 HydrophobicContact CD2-CE2 4.32Å; Y176-Y368 AromaticContact CE1-CE2 3.85Å; Y176-Y368 HydrophobicContact CE1-CE2 3.85Å; Y176-Y368 WeakPolarHBondContact CE1-OH 3.23Å; Y176-Y368 HydrophobicContact CE2-CE2 4.33Å; Y176-Y368 WeakPolarHBondContact CE2-OH 3.43Å; Y176-Y368 HydrophobicContact CG-CE2 4.11Å; Y176-Y368 AromaticContact CZ-CZ 3.86Å; Y176-Y368 PolarHBondContact OH-OH 2.59Å
177Y98.8Very high98.9Very high29 Ų2924.5 Ų24.511%0.11412%0.12CC..THydrogen-bonded Turntrans-86.110.1176.9-72.2-65.9000114.3Y141 Y145 F173 S175 L179 V365 E366Y141-Y177 HydrophobicContact CD2-CD1 4.23Å; Y141-Y177 HydrophobicContact CD2-CD2 4.29Å; Y141-Y177 AromaticContact CD2-CG 3.96Å; Y141-Y177 HydrophobicContact CD2-CG 3.96Å; Y141-Y177 AromaticContact CE2-CD1 3.46Å; Y141-Y177 HydrophobicContact CE2-CD1 3.46Å; Y141-Y177 VanDerWaalsContact CE2-CD1 3.46Å; Y141-Y177 HydrophobicContact CE2-CD2 4.11Å; Y141-Y177 AromaticContact CE2-CE1 3.69Å; Y141-Y177 HydrophobicContact CE2-CE1 3.69Å; Y141-Y177 HydrophobicContact CE2-CE2 4.35Å; Y141-Y177 AromaticContact CE2-CG 3.65Å; Y141-Y177 HydrophobicContact CE2-CG 3.65Å; Y145-Y177 WeakPolarHBondContact CE2-O 3.36Å; Y145-Y177 PolarHBondContact OH-O 3.38Å; F173-Y177 AromaticContact CD1-CD2 3.95Å; F173-Y177 HydrophobicContact CD1-CD2 3.95Å; F173-Y177 AromaticContact CD2-CD2 3.68Å; F173-Y177 HydrophobicContact CD2-CD2 3.68Å; F173-Y177 AromaticContact CD2-CE2 3.62Å; F173-Y177 HydrophobicContact CD2-CE2 3.62Å; F173-Y177 AromaticContact CE1-CD2 3.72Å; F173-Y177 HydrophobicContact CE1-CD2 3.72Å; F173-Y177 HydrophobicContact CE1-CE2 4.36Å; F173-Y177 HydrophobicContact CE1-CG 4.49Å; F173-Y177 AromaticContact CE2-CD2 3.46Å; F173-Y177 HydrophobicContact CE2-CD2 3.46Å; F173-Y177 VanDerWaalsContact CE2-CD2 3.46Å; F173-Y177 AromaticContact CE2-CE2 3.24Å; F173-Y177 HydrophobicContact CE2-CE2 3.24Å; F173-Y177 AromaticContact CG-CD2 3.92Å; F173-Y177 HydrophobicContact CG-CD2 3.92Å; F173-Y177 HydrophobicContact CG-CE2 4.32Å; F173-Y177 AromaticContact CZ-CD2 3.46Å; F173-Y177 HydrophobicContact CZ-CD2 3.46Å; F173-Y177 VanDerWaalsContact CZ-CD2 3.46Å; F173-Y177 AromaticContact CZ-CE2 3.65Å; F173-Y177 HydrophobicContact CZ-CE2 3.65Å; F173-Y177 HydrophobicContact CZ-CG 4.39Å; F173-Y177 WeakPolarHBondContact O-CD2 3.1Å; F173-Y177 PolarHBondContact O-N 3.23Å; S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 2.98Å; Y177-L179 VanDerWaalsContact C-N 3.32Å; Y177-L179 PolarHBondContact O-N 2.8Å; Y177-V365 HydrophobicContact CE2-CG1 3.99Å; Y177-E366 WeakPolarHBondContact CE2-O 3.4Å; Y177-E366 WeakPolarHBondContact OH-CA 3.17Å; Y177-E366 PolarHBondContact OH-N 3.29Å; Y177-E366 PolarHBondContact OH-O 3.05Å
178Q98.6Very high98.9Very high123 Ų12324.5 Ų24.558%0.57512%0.12SC*.THydrogen-bonded Turntrans48.549175.3-57.5-177.9-1100113.1K144 A174 S175 Y176 D180K144-Q178 PolarHBondContact NZ-O 2.73Å; A174-Q178 PolarHBondContact O-N 2.58Å; S175-Q178 PolarHBondContact O-N 3.07Å; Y176-Q178 VanDerWaalsContact C-N 3.26Å; Y176-Q178 PolarHBondContact O-N 2.78Å; Q178-D180 PolarHBondContact O-N 3.48Å
179L98.8Very high98.9Very high0 Ų022.8 Ų22.80%011%0.114CC..  trans-75.368.8-176.4-57.6-176.4000112C137 A140 Y141 Y145 F173 A174 Y177 N181 L182 P239C137-L179 HydrophobicContact CB-CD1 4.11Å; A140-L179 HydrophobicContact CB-CB 4.41Å; A140-L179 HydrophobicContact CB-CD1 4.07Å; Y141-L179 HydrophobicContact CD2-CD2 4.33Å; Y145-L179 HydrophobicContact CD2-CD2 4.49Å; Y145-L179 HydrophobicContact CE2-CD2 3.88Å; F173-L179 HydrophobicContact CD1-CD1 4.18Å; F173-L179 HydrophobicContact CE1-CD1 4.04Å; A174-L179 HydrophobicContact CB-CB 4.35Å; A174-L179 HydrophobicContact CB-CD1 4.07Å; A174-L179 HydrophobicContact CB-CG 4.42Å; A174-L179 PolarHBondContact O-N 2.92Å; Y177-L179 VanDerWaalsContact C-N 3.32Å; Y177-L179 PolarHBondContact O-N 2.8Å; L179-N181 PolarHBondContact O-N 2.74Å; L179-L182 HydrophobicContact CB-CB 4.05Å; L179-L182 HydrophobicContact CD1-CD2 4.38Å; L179-L182 VanDerWaalsContact O-CB 3.3Å; L179-L182 WeakPolarHBondContact O-CB 3.3Å; L179-L182 PolarHBondContact O-N 3.31Å; L179-P239 WeakPolarHBondContact O-CA 3.38Å; L179-P239 WeakPolarHBondContact O-CB 3.34Å
180D98.6Very high98.8Very high46 Ų4622.3 Ų22.325%0.24611%0.11CC..THydrogen-bonded Turntrans-64.1-13.6176.855.94.7000114.8K144 Q178 L182 R236K144-D180 IonicContact NZ-OD1 3.77Å; K144-D180 PolarHBondContact NZ-OD1 3.31Å; K144-D180 IonicContact NZ-OD2 3.72Å; K144-D180 PolarHBondContact NZ-OD2 2.74Å; Q178-D180 PolarHBondContact O-N 3.48Å; D180-L182 VanDerWaalsContact C-N 3.34Å; D180-R236 WeakPolarHBondContact O-CD 3.41Å; D180-R236 WeakPolarHBondContact O-CG 3.3Å; D180-R236 PolarHBondContact O-NE 3.39Å
181N98.8Very high98.8Very high17 Ų1722.5 Ų22.59%0.09111%0.111CC..THydrogen-bonded Turntrans-84.4-2.4169.565-23.7000113.9A140 R152 V153 L179A140-N181 PolarHBondContact O-ND2 2.87Å; R152-N181 WeakPolarHBondContact CA-O 3.24Å; V153-N181 PolarHBondContact N-O 3.27Å; L179-N181 PolarHBondContact O-N 2.74Å
182L98.9Very high98.8Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-98.8137.6179.7-177.561.5000112.9L133 A136 A140 V153 A174 L179 D180 W215 L240L133-L182 HydrophobicContact CD1-CD2 4.41Å; A136-L182 HydrophobicContact CB-CD1 3.83Å; A140-L182 HydrophobicContact CB-CB 3.98Å; A140-L182 HydrophobicContact CB-CD1 4.36Å; V153-L182 HydrophobicContact CB-CD1 3.92Å; V153-L182 HydrophobicContact CG1-CD1 3.94Å; V153-L182 CarbonylContact O-C 3.58Å; V153-L182 WeakPolarHBondContact O-CA 3.46Å; A174-L182 HydrophobicContact CB-CD2 3.9Å; L179-L182 HydrophobicContact CB-CB 4.05Å; L179-L182 HydrophobicContact CD1-CD2 4.38Å; L179-L182 VanDerWaalsContact O-CB 3.3Å; L179-L182 WeakPolarHBondContact O-CB 3.3Å; L179-L182 PolarHBondContact O-N 3.31Å; D180-L182 VanDerWaalsContact C-N 3.34Å; L182-W215 HydrophobicContact CD2-CH2 3.62Å; L182-W215 HydrophobicContact CD2-CZ2 4.17Å; L182-W215 HydrophobicContact CG-CH2 3.99Å; L182-L240 PolarHBondContact O-N 3.37Å; L182-L240 VanDerWaalsContact O-N 3.09Å
183V98.9Very high98.8Very high0 Ų028.4 Ų28.40%014%0.135CC..EExtended strand (participates in β ladder)trans-124.6124.2169.4-168.60000110.1V153 F154 C155 I185 L232 L240 I242V153-V183 PolarHBondContact O-N 3.27Å; F154-V183 CarbonylContact C-O 3.27Å; F154-V183 WeakPolarHBondContact CA-O 3.33Å; F154-V183 HydrophobicContact CD1-CB 3.67Å; F154-V183 HydrophobicContact CD1-CG1 4.24Å; F154-V183 HydrophobicContact CD1-CG2 3.69Å; F154-V183 HydrophobicContact CE1-CB 4.14Å; F154-V183 HydrophobicContact CE1-CG2 3.63Å; F154-V183 HydrophobicContact CG-CB 4.48Å; C155-V183 PolarHBondContact N-O 3.27Å; V183-I185 HydrophobicContact CB-CD1 4.32Å; V183-I185 HydrophobicContact CG1-CD1 3.77Å; V183-I185 HydrophobicContact CG1-CG1 4.11Å; V183-L232 HydrophobicContact CG1-CD2 4.27Å; V183-L240 CarbonylContact C-O 3.59Å; V183-L240 WeakPolarHBondContact CA-O 3.34Å; V183-L240 HydrophobicContact CG1-CB 4.41Å; V183-L240 HydrophobicContact CG1-CD2 4.09Å; V183-L240 HydrophobicContact CG1-CG 4.21Å; V183-L240 HydrophobicContact CG2-CD2 4.43Å; V183-I242 HydrophobicContact CG1-CD1 3.86Å; V183-I242 HydrophobicContact CG1-CG1 4.23Å
184A98.9Very high98.7Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-99.6128.4164.500000109L133 C155 L157 W215 L240 A241 I242L133-A184 HydrophobicContact CD1-CB 4.1Å; C155-A184 CarbonylContact O-C 3.55Å; C155-A184 WeakPolarHBondContact O-CA 3.41Å; L157-A184 HydrophobicContact CD1-CB 3.97Å; A184-W215 HydrophobicContact CB-CE3 4.46Å; A184-W215 HydrophobicContact CB-CH2 3.91Å; A184-W215 HydrophobicContact CB-CZ3 3.58Å; A184-L240 PolarHBondContact N-O 3.21Å; A184-A241 CarbonylContact O-C 3.55Å; A184-A241 WeakPolarHBondContact O-CA 3.19Å; A184-I242 PolarHBondContact O-N 3.42Å
185I98.9Very high98.7Very high1 Ų137 Ų371%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-111116.7172.1-54.188.3000107.2I51 L55 F154 C155 L156 L157 V183 I242 A244I51-I185 HydrophobicContact CD1-CG2 3.97Å; I51-I185 HydrophobicContact CG1-CG2 4.47Å; I51-I185 HydrophobicContact CG2-CG2 3.89Å; L55-I185 HydrophobicContact CD1-CD1 4.12Å; L55-I185 HydrophobicContact CD2-CD1 4.42Å; F154-I185 HydrophobicContact CB-CD1 4.36Å; F154-I185 HydrophobicContact CD1-CD1 4.43Å; C155-I185 PolarHBondContact O-N 3.39Å; L156-I185 HydrophobicContact CD1-CB 3.98Å; L156-I185 HydrophobicContact CD1-CG2 3.97Å; L157-I185 PolarHBondContact N-O 3.01Å; V183-I185 HydrophobicContact CB-CD1 4.32Å; V183-I185 HydrophobicContact CG1-CD1 3.77Å; V183-I185 HydrophobicContact CG1-CG1 4.11Å; I185-I242 WeakPolarHBondContact CA-O 3.38Å; I185-I242 HydrophobicContact CG1-CB 4.29Å; I185-I242 HydrophobicContact CG1-CD1 4.19Å; I185-I242 HydrophobicContact CG2-CB 4.34Å; I185-I242 HydrophobicContact CG2-CG2 4.39Å; I185-A244 HydrophobicContact CG2-CB 4.34Å
186M98.9Very high98.7Very high1 Ų137.8 Ų37.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-97.2112.1178-57.4-176.1177.500109.1V162 M171 I188 C210 I242 A244V162-M186 HydrophobicContact CG1-CE 4.39Å; V162-M186 HydrophobicContact CG1-CG 4.49Å; V162-M186 HydrophobicContact CG1-SD 4.22Å; M171-M186 HydrophobicContact CE-CE 4.12Å; M171-M186 HydrophobicContact SD-CE 4.21Å; M186-I188 HydrophobicContact CB-CD1 3.6Å; M186-I188 HydrophobicContact CB-CG1 4.29Å; M186-I188 PolarHBondContact O-N 3.13Å; M186-I188 VanDerWaalsContact O-N 3.08Å; M186-C210 WeakPolarHBondContact CE-SG 3.17Å; M186-I242 PolarHBondContact N-O 2.56Å; M186-A244 PolarHBondContact O-N 2.95Å
187D98.9Very high98.7Very high0 Ų031.8 Ų31.80%017%0.17CC..EExtended strand (participates in β ladder)trans-75.386.9173.9176.536.8000109.9S47 V48 K79 L156 L157 D159 N189 T246S47-D187 WeakPolarHBondContact CB-OD1 3.31Å; S47-D187 PolarHBondContact OG-OD1 2.73Å; S47-D187 PolarHBondContact OG-OD2 3.34Å; V48-D187 HydrophobicContact CG1-CB 3.71Å; V48-D187 VanDerWaalsContact CG1-OD2 3.31Å; V48-D187 WeakPolarHBondContact CG1-OD2 3.39Å; K79-D187 HydrophobicContact CD-CB 4.37Å; K79-D187 IonicContact NZ-OD2 3.85Å; K79-D187 PolarHBondContact NZ-OD2 2.96Å; L156-D187 HydrophobicContact CD1-CB 4.39Å; L157-D187 VanDerWaalsContact O-CB 3.31Å; L157-D187 WeakPolarHBondContact O-CB 3.49Å; L157-D187 PolarHBondContact O-N 3.4Å; D159-D187 PolarHBondContact N-O 2.81Å; D187-N189 PolarHBondContact O-N 3.19Å; D187-N189 PolarHBondContact OD2-ND2 3Å; D187-T246 WeakPolarHBondContact OD1-CB 3.43Å; D187-T246 WeakPolarHBondContact OD1-CG2 3.36Å; D187-T246 PolarHBondContact OD1-OG1 2.81Å
188I98.9Very high98.7Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-83.172.3179.4-43.9-53.6000109.6D159 M186 R190 Q200 H201 V203 Y206 I243 A244 T246D159-I188 HydrophobicContact CB-CD1 3.86Å; D159-I188 HydrophobicContact CB-CG2 4.42Å; M186-I188 HydrophobicContact CB-CD1 3.6Å; M186-I188 HydrophobicContact CB-CG1 4.29Å; M186-I188 PolarHBondContact O-N 3.13Å; M186-I188 VanDerWaalsContact O-N 3.08Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 3.13Å; I188-Q200 VanDerWaalsContact CG2-O 3.24Å; I188-Q200 WeakPolarHBondContact CG2-O 3.48Å; I188-H201 PolarHBondContact O-CD2 2.94Å; I188-H201 VanDerWaalsContact O-CD2 3.23Å; I188-H201 PolarHBondContact O-NE2 3.02Å; I188-H201 VanDerWaalsContact O-NE2 3.09Å; I188-V203 HydrophobicContact CB-CG1 4.47Å; I188-V203 HydrophobicContact CG2-CG1 4.21Å; I188-Y206 HydrophobicContact CD1-CD1 3.81Å; I188-Y206 HydrophobicContact CD1-CD2 4.23Å; I188-Y206 HydrophobicContact CD1-CE1 3.76Å; I188-Y206 HydrophobicContact CD1-CE2 4.14Å; I188-Y206 HydrophobicContact CD1-CG 4.03Å; I188-Y206 HydrophobicContact CG1-CD2 4.4Å; I188-Y206 HydrophobicContact CG1-CE2 4.43Å; I188-Y206 HydrophobicContact CG2-CD2 4.11Å; I188-Y206 HydrophobicContact CG2-CE2 3.52Å; I188-I243 HydrophobicContact CG1-CG2 3.76Å; I188-A244 WeakPolarHBondContact CA-O 3.3Å; I188-A244 WeakPolarHBondContact CB-O 3.39Å; I188-A244 PolarHBondContact N-O 3.1Å; I188-T246 VanDerWaalsContact C-OG1 3.3Å; I188-T246 PolarHBondContact O-N 2.82Å; I188-T246 PolarHBondContact O-OG1 2.89Å
189N98.8Very high98.7Very high4 Ų430.2 Ų30.22%0.02117%0.173CC..  trans-87.84.3-176.872.250.8000113.8D159 D187 L191 T246 K248D159-N189 PolarHBondContact OD2-N 3.26Å; D187-N189 PolarHBondContact O-N 3.19Å; D187-N189 PolarHBondContact OD2-ND2 3Å; N189-L191 VanDerWaalsContact C-N 3.26Å; N189-L191 PolarHBondContact O-N 3.18Å; N189-L191 PolarHBondContact OD1-N 2.95Å; N189-L191 PolarHBondContact OD1-O 2.91Å; N189-T246 WeakPolarHBondContact CA-O 3.43Å; N189-T246 WeakPolarHBondContact CA-OG1 3.49Å; N189-T246 VanDerWaalsContact CB-OG1 3.26Å; N189-T246 WeakPolarHBondContact CB-OG1 3.45Å; N189-T246 PolarHBondContact N-OG1 2.81Å; N189-K248 HydrophobicContact CB-CB 4.04Å; N189-K248 PolarHBondContact O-N 3.31Å
190R98.8Very high98.7Very high38 Ų3834 Ų3414%0.14319%0.191CC..SBendtrans80.4-22.6179.6-159.5-179.361.380.50.2114.8D159 I188 P196 A197 Q200 D257D159-R190 VanDerWaalsContact OD2-CA 3.28Å; D159-R190 WeakPolarHBondContact OD2-CA 3.39Å; D159-R190 PolarHBondContact OD2-N 3.34Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 3.13Å; R190-P196 CarbonylContact O-C 3.53Å; R190-P196 WeakPolarHBondContact O-CA 3.42Å; R190-A197 PolarHBondContact O-N 2.9Å; R190-Q200 HydrophobicContact CG-CB 3.7Å; R190-Q200 HydrophobicContact CG-CG 4.21Å; R190-D257 IonicContact CZ-OD1 2.82Å; R190-D257 IonicContact CZ-OD2 3.94Å; R190-D257 IonicContact NE-OD1 3.41Å; R190-D257 PolarHBondContact NE-OD1 3.39Å; R190-D257 IonicContact NE-OD2 2.8Å; R190-D257 VanDerWaalsContact NH2-CG 3.3Å; R190-D257 PolarHBondContact NH2-O 3.47Å; R190-D257 IonicContact NH2-OD1 2.65Å; R190-D257 PolarHBondContact NH2-OD1 2.94Å; R190-D257 IonicContact NH2-OD2 3.79Å
191L98.7Very high98.7Very high4 Ų434 Ų342%0.02119%0.189CC..BIsolated β-bridgetrans-124.9125.3-160.3-62.5-172.8000113.3D159 N189 P196 K248 M259D159-L191 PolarHBondContact OD2-N 3.37Å; N189-L191 VanDerWaalsContact C-N 3.26Å; N189-L191 PolarHBondContact O-N 3.18Å; N189-L191 PolarHBondContact OD1-N 2.95Å; N189-L191 PolarHBondContact OD1-O 2.91Å; L191-P196 HydrophobicContact CD2-CB 4.04Å; L191-P196 HydrophobicContact CD2-CG 4.02Å; L191-K248 HydrophobicContact CB-CB 4.37Å; L191-K248 HydrophobicContact CB-CD 3.58Å; L191-K248 HydrophobicContact CD1-CB 4.26Å; L191-K248 HydrophobicContact CD1-CD 4.33Å; L191-K248 PolarHBondContact O-NZ 2.85Å; L191-M259 HydrophobicContact CD1-SD 3.98Å; L191-M259 HydrophobicContact CD2-SD 3.29Å; L191-M259 WeakPolarHBondContact CD2-SD 3.41Å; L191-M259 HydrophobicContact CG-SD 4.16Å
192G97.9Very high98.7Very high17 Ų1737.2 Ų37.218%0.17520%0.203CC..  trans-76.8-154.2165.900000112.8D195 K248G192-D195 VanDerWaalsContact CA-O 3.31Å; G192-D195 WeakPolarHBondContact CA-O 3.39Å; G192-D195 PolarHBondContact N-O 3.34Å; G192-K248 PolarHBondContact O-NZ 3.42Å
193Q98.4Very high98.6Very high149 Ų14938 Ų3870%0.69621%0.208SC*.SBendtrans-77.7-53.6178.6168.4163.7-24.200112.2
194S97.9Very high98.6Very high89 Ų8941.4 Ų41.462%0.62222%0.224SC*.SBendtrans-102.3-27-175.561.20000113.5M259S194-M259 WeakPolarHBondContact O-CE 3.47Å
195D98.3Very high98.6Very high101 Ų10145.1 Ų45.154%0.5424%0.24SC..SBendtrans-141.6165-171-70.8-72.8000111.2G192G192-D195 VanDerWaalsContact CA-O 3.31Å; G192-D195 WeakPolarHBondContact CA-O 3.39Å; G192-D195 PolarHBondContact N-O 3.34Å
196P98.8Very high98.6Very high46 Ų4645.2 Ų45.230%0.29924%0.241SC..BIsolated β-bridgetrans-51.9141.2164.7-23.834.8000111.3R190 L191 Q200 M259R190-P196 CarbonylContact O-C 3.53Å; R190-P196 WeakPolarHBondContact O-CA 3.42Å; L191-P196 HydrophobicContact CD2-CB 4.04Å; L191-P196 HydrophobicContact CD2-CG 4.02Å; P196-Q200 HydrophobicContact CB-CG 3.87Å; P196-M259 HydrophobicContact CG-SD 4.12Å
197A98.6Very high98.6Very high3 Ų347.6 Ų47.63%0.02525%0.252CS..  trans-59.3148.617000000109.2D159 R190 L199 Q200D159-A197 HydrophobicContact CB-CB 4.11Å; R190-A197 PolarHBondContact O-N 2.9Å; A197-L199 PolarHBondContact O-N 2.78Å; A197-Q200 WeakPolarHBondContact O-CG 3.4Å; A197-Q200 PolarHBondContact O-N 2.89Å
198P98.7Very high98.6Very high100 Ų10054.5 Ų54.565%0.64928%0.278SS*.THydrogen-bonded Turntrans-55.1-33.9-167.8-29.735.5000115
199L98.6Very high98.6Very high18 Ų1859.8 Ų59.89%0.09430%0.298CS..THydrogen-bonded Turntrans-97.9-2179.9-58.9-178.1000113.4A197 H201 H202 K205 Y206A197-L199 PolarHBondContact O-N 2.78Å; L199-H201 PolarHBondContact O-N 3.26Å; L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-CD2 3.23Å; L199-H202 PolarHBondContact O-N 3.4Å; L199-K205 HydrophobicContact CD1-CB 3.93Å; L199-K205 HydrophobicContact CD2-CB 4.33Å; L199-K205 HydrophobicContact CD2-CD 3.82Å; L199-Y206 HydrophobicContact CB-CD2 4.18Å; L199-Y206 HydrophobicContact CB-CE1 4.29Å; L199-Y206 HydrophobicContact CB-CE2 3.44Å; L199-Y206 VanDerWaalsContact CB-CE2 3.44Å; L199-Y206 HydrophobicContact CD1-CD1 4.06Å; L199-Y206 HydrophobicContact CD1-CD2 4.11Å; L199-Y206 HydrophobicContact CD1-CE1 3.95Å; L199-Y206 HydrophobicContact CD1-CE2 4.06Å; L199-Y206 HydrophobicContact CD1-CG 4.15Å; L199-Y206 HydrophobicContact CG-CE2 4.39Å
200Q98.7Very high98.6Very high81 Ų8159.7 Ų59.738%0.37930%0.297SS..THydrogen-bonded Turntrans46.7-125.4179-60.9-166.847.300111.2I188 R190 P196 A197I188-Q200 VanDerWaalsContact CG2-O 3.24Å; I188-Q200 WeakPolarHBondContact CG2-O 3.48Å; R190-Q200 HydrophobicContact CG-CB 3.7Å; R190-Q200 HydrophobicContact CG-CG 4.21Å; P196-Q200 HydrophobicContact CB-CG 3.87Å; A197-Q200 WeakPolarHBondContact O-CG 3.4Å; A197-Q200 PolarHBondContact O-N 2.89Å
201H98.7Very high98.6Very high46 Ų4662.2 Ų62.221%0.21331%0.311CS..THydrogen-bonded Turntrans-98.420.9174.9-79167.3000114.3I188 L199 V203 T246I188-H201 PolarHBondContact O-CD2 2.94Å; I188-H201 VanDerWaalsContact O-CD2 3.23Å; I188-H201 PolarHBondContact O-NE2 3.02Å; I188-H201 VanDerWaalsContact O-NE2 3.09Å; L199-H201 PolarHBondContact O-N 3.26Å; H201-V203 PolarHBondContact O-N 2.75Å; H201-T246 PolarHBondContact CE1-O 2.86Å; H201-T246 VanDerWaalsContact CE1-O 3.32Å; H201-T246 PolarHBondContact NE2-O 3.44Å
202H98.7Very high98.6Very high83 Ų8366 Ų6638%0.38434%0.343SS..  trans-72.962.6169.9-63.4-66.7000110.8L199 E204 K205 Y206L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-CD2 3.23Å; L199-H202 PolarHBondContact O-N 3.4Å; H202-E204 WeakPolarHBondContact CA-OE1 3.46Å; H202-E204 WeakPolarHBondContact CA-OE2 3.32Å; H202-E204 WeakPolarHBondContact CB-OE1 3.2Å; H202-E204 IonicContact CG-OE1 3.07Å; H202-E204 IonicContact ND1-OE1 2.89Å; H202-E204 PolarHBondContact ND1-OE1 2.86Å; H202-E204 PolarHBondContact O-N 2.92Å; H202-K205 HydrophobicContact CB-CB 4.36Å; H202-K205 HydrophobicContact CB-CD 3.81Å; H202-K205 HydrophobicContact CB-CG 4.11Å; H202-K205 WeakPolarHBondContact O-CB 3.31Å; H202-K205 PolarHBondContact O-N 3.35Å; H202-Y206 WeakPolarHBondContact O-CD2 3.37Å
203V98.6Very high98.7Very high17 Ų1768.8 Ų68.810%0.10335%0.35CS..Hα-helixtrans-56.4-30.8-174.2-70.80000113I188 H201 K205 Y206 Q207 I219 I243 K245I188-V203 HydrophobicContact CB-CG1 4.47Å; I188-V203 HydrophobicContact CG2-CG1 4.21Å; H201-V203 PolarHBondContact O-N 2.75Å; V203-K205 VanDerWaalsContact C-N 3.28Å; V203-K205 PolarHBondContact O-N 2.85Å; V203-Y206 PolarHBondContact O-N 3.47Å; V203-Q207 PolarHBondContact O-N 3.03Å; V203-I219 HydrophobicContact CB-CD1 4.17Å; V203-I219 HydrophobicContact CB-CG1 4.39Å; V203-I219 HydrophobicContact CB-CG2 4.15Å; V203-I219 HydrophobicContact CG2-CD1 4Å; V203-I219 HydrophobicContact CG2-CG2 3.95Å; V203-I243 HydrophobicContact CB-CG2 4.08Å; V203-I243 HydrophobicContact CG1-CG2 4.2Å; V203-K245 HydrophobicContact CG1-CB 4.04Å; V203-K245 HydrophobicContact CG1-CD 4.41Å; V203-K245 HydrophobicContact CG1-CG 4.19Å
204E98.6Very high98.7Very high71 Ų7163 Ų6333%0.33233%0.331SS..Hα-helixtrans-63.3-30.8173.671.2-69.4165.600112.9H202 R208H202-E204 WeakPolarHBondContact CA-OE1 3.46Å; H202-E204 WeakPolarHBondContact CA-OE2 3.32Å; H202-E204 WeakPolarHBondContact CB-OE1 3.2Å; H202-E204 IonicContact CG-OE1 3.07Å; H202-E204 IonicContact ND1-OE1 2.89Å; H202-E204 PolarHBondContact ND1-OE1 2.86Å; H202-E204 PolarHBondContact O-N 2.92Å; E204-R208 WeakPolarHBondContact O-CG 3.22Å; E204-R208 PolarHBondContact O-N 3.17Å
205K98.7Very high98.7Very high78 Ų7859 Ų5934%0.33930%0.302SS..Hα-helixtrans-73-38.7175-67.8178.6-176173.20111.2L199 H202 V203 Q207 R209L199-K205 HydrophobicContact CD1-CB 3.93Å; L199-K205 HydrophobicContact CD2-CB 4.33Å; L199-K205 HydrophobicContact CD2-CD 3.82Å; H202-K205 HydrophobicContact CB-CB 4.36Å; H202-K205 HydrophobicContact CB-CD 3.81Å; H202-K205 HydrophobicContact CB-CG 4.11Å; H202-K205 WeakPolarHBondContact O-CB 3.31Å; H202-K205 PolarHBondContact O-N 3.35Å; V203-K205 VanDerWaalsContact C-N 3.28Å; V203-K205 PolarHBondContact O-N 2.85Å; K205-Q207 VanDerWaalsContact C-N 3.34Å; K205-R209 WeakPolarHBondContact O-CG 3.48Å; K205-R209 PolarHBondContact O-N 3.38Å; K205-R209 VanDerWaalsContact O-N 3.12Å
206Y98.9Very high98.7Very high3 Ų357.9 Ų57.91%0.01229%0.294CS..Hα-helixtrans-63.3-42.9172.8-66.8-86.7000110.8D159 V162 I188 L199 H202 V203 R209 C210D159-Y206 HydrophobicContact CB-CE1 4.43Å; V162-Y206 HydrophobicContact CG2-CD1 4.18Å; V162-Y206 HydrophobicContact CG2-CE1 3.72Å; I188-Y206 HydrophobicContact CD1-CD1 3.81Å; I188-Y206 HydrophobicContact CD1-CD2 4.23Å; I188-Y206 HydrophobicContact CD1-CE1 3.76Å; I188-Y206 HydrophobicContact CD1-CE2 4.14Å; I188-Y206 HydrophobicContact CD1-CG 4.03Å; I188-Y206 HydrophobicContact CG1-CD2 4.4Å; I188-Y206 HydrophobicContact CG1-CE2 4.43Å; I188-Y206 HydrophobicContact CG2-CD2 4.11Å; I188-Y206 HydrophobicContact CG2-CE2 3.52Å; L199-Y206 HydrophobicContact CB-CD2 4.18Å; L199-Y206 HydrophobicContact CB-CE1 4.29Å; L199-Y206 HydrophobicContact CB-CE2 3.44Å; L199-Y206 VanDerWaalsContact CB-CE2 3.44Å; L199-Y206 HydrophobicContact CD1-CD1 4.06Å; L199-Y206 HydrophobicContact CD1-CD2 4.11Å; L199-Y206 HydrophobicContact CD1-CE1 3.95Å; L199-Y206 HydrophobicContact CD1-CE2 4.06Å; L199-Y206 HydrophobicContact CD1-CG 4.15Å; L199-Y206 HydrophobicContact CG-CE2 4.39Å; H202-Y206 WeakPolarHBondContact O-CD2 3.37Å; V203-Y206 PolarHBondContact O-N 3.47Å; Y206-R209 PolarHBondContact O-N 2.99Å; Y206-C210 PolarHBondContact O-N 2.93Å; Y206-C210 PolarHBondContact O-SG 3.45Å
207Q98.9Very high98.7Very high51 Ų5155.9 Ų55.924%0.23828%0.281CS..Hα-helixtrans-56.7-55.6175.7-167.6-177.916.800112.2V203 K205 R209 C210 E211 A217 I219 I243V203-Q207 PolarHBondContact O-N 3.03Å; K205-Q207 VanDerWaalsContact C-N 3.34Å; Q207-R209 PolarHBondContact O-N 3.43Å; Q207-C210 PolarHBondContact O-N 2.92Å; Q207-E211 HydrophobicContact CG-CG 4.37Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.22Å; Q207-E211 PolarHBondContact NE2-OE1 2.9Å; Q207-E211 WeakPolarHBondContact O-CG 3.39Å; Q207-E211 PolarHBondContact O-N 2.93Å; Q207-A217 HydrophobicContact CG-CB 3.8Å; Q207-A217 PolarHBondContact NE2-O 2.72Å; Q207-I219 HydrophobicContact CB-CD1 4.08Å; Q207-I219 HydrophobicContact CB-CG1 4.23Å; Q207-I219 HydrophobicContact CG-CD1 4.46Å; Q207-I219 HydrophobicContact CG-CG1 4.46Å; Q207-I243 HydrophobicContact CB-CD1 3.56Å; Q207-I243 HydrophobicContact CG-CD1 3.91Å
208R98.9Very high98.7Very high145 Ų14557.5 Ų57.555%0.54729%0.288SS..Hα-helixtrans-57.2-37.2178.8-73.9-169.9-62.7-120.10.3112.8E204 A212E204-R208 WeakPolarHBondContact O-CG 3.22Å; E204-R208 PolarHBondContact O-N 3.17Å; R208-A212 WeakPolarHBondContact O-CB 3.3Å; R208-A212 PolarHBondContact O-N 3.48Å
209R98.9Very high98.7Very high112 Ų11255.6 Ų55.642%0.42327%0.272SS..Hα-helixtrans-65.4-46.4175.2-73.7-179.9176.8-172.1-1.6111.4W168 K205 Y206 Q207 A212 F213W168-R209 HydrophobicContact CH2-CB 3.51Å; W168-R209 HydrophobicContact CH2-CG 4.16Å; W168-R209 HydrophobicContact CZ3-CB 3.74Å; K205-R209 WeakPolarHBondContact O-CG 3.48Å; K205-R209 PolarHBondContact O-N 3.38Å; K205-R209 VanDerWaalsContact O-N 3.12Å; Y206-R209 PolarHBondContact O-N 2.99Å; Q207-R209 PolarHBondContact O-N 3.43Å; R209-A212 PolarHBondContact O-N 3.35Å; R209-F213 WeakPolarHBondContact O-CD2 3.44Å; R209-F213 PolarHBondContact O-N 2.83Å
210C98.9Very high98.8Very high1 Ų155.1 Ų55.11%0.00727%0.27CS..Hα-helixtrans-62.4-45.4178.5-62.10000111.8M171 M186 Y206 Q207 A212 F213 G214 W215 A217 A241M171-C210 HydrophobicContact CE-CB 3.91Å; M186-C210 WeakPolarHBondContact CE-SG 3.17Å; Y206-C210 PolarHBondContact O-N 2.93Å; Y206-C210 PolarHBondContact O-SG 3.45Å; Q207-C210 PolarHBondContact O-N 2.92Å; C210-A212 PolarHBondContact O-N 2.88Å; C210-F213 CarbonylContact O-C 3.23Å; C210-F213 PolarHBondContact O-N 2.94Å; C210-F213 VanDerWaalsContact O-N 3.1Å; C210-G214 PolarHBondContact O-N 2.78Å; C210-W215 HydrophobicContact CB-CB 4.32Å; C210-W215 WeakPolarHBondContact O-CB 3.4Å; C210-W215 PolarHBondContact O-N 2.73Å; C210-W215 VanDerWaalsContact O-N 3.12Å; C210-A217 HydrophobicContact CB-CB 3.8Å; C210-A241 HydrophobicContact CB-CB 3.96Å
211E98.8Very high98.8Very high91 Ų9154.7 Ų54.743%0.42527%0.271SS..Hα-helixtrans-63-41.6178.3-69171.2167.400111.9Q207 F213 G214 A217Q207-E211 HydrophobicContact CG-CG 4.37Å; Q207-E211 WeakPolarHBondContact CG-OE1 3.22Å; Q207-E211 PolarHBondContact NE2-OE1 2.9Å; Q207-E211 WeakPolarHBondContact O-CG 3.39Å; Q207-E211 PolarHBondContact O-N 2.93Å; E211-F213 PolarHBondContact O-N 2.91Å; E211-G214 PolarHBondContact O-N 3.42Å; E211-A217 HydrophobicContact CG-CB 3.73Å
212A98.8Very high98.8Very high85 Ų8552.5 Ų52.570%0.70226%0.26SS*.Hα-helixtrans-62.1-26.4175.300000112.9R208 R209 C210 G214R208-A212 WeakPolarHBondContact O-CB 3.3Å; R208-A212 PolarHBondContact O-N 3.48Å; R209-A212 PolarHBondContact O-N 3.35Å; C210-A212 PolarHBondContact O-N 2.88Å; A212-G214 VanDerWaalsContact C-N 3.31Å
213F98.8Very high98.8Very high75 Ų7550 Ų5033%0.32925%0.249SC..THydrogen-bonded Turntrans-88.98173.5-82.6-107.1000113W168 M171 A172 S175 R209 C210 E211W168-F213 HydrophobicContact CB-CE1 3.91Å; W168-F213 HydrophobicContact CB-CZ 4.06Å; W168-F213 HydrophobicContact CD2-CE2 4.48Å; W168-F213 HydrophobicContact CD2-CZ 4.26Å; W168-F213 HydrophobicContact CE3-CD1 4.19Å; W168-F213 AromaticContact CE3-CD2 3.82Å; W168-F213 HydrophobicContact CE3-CD2 3.82Å; W168-F213 AromaticContact CE3-CE1 3.99Å; W168-F213 HydrophobicContact CE3-CE1 3.99Å; W168-F213 AromaticContact CE3-CE2 3.58Å; W168-F213 HydrophobicContact CE3-CE2 3.58Å; W168-F213 HydrophobicContact CE3-CG 4.11Å; W168-F213 AromaticContact CE3-CZ 3.67Å; W168-F213 HydrophobicContact CE3-CZ 3.67Å; W168-F213 HydrophobicContact CG-CZ 4.45Å; W168-F213 AromaticContact CZ3-CD2 4Å; W168-F213 HydrophobicContact CZ3-CD2 4Å; W168-F213 HydrophobicContact CZ3-CE2 4.04Å; W168-F213 HydrophobicContact CZ3-CG 4.46Å; W168-F213 WeakPolarHBondContact O-CE1 3.32Å; M171-F213 HydrophobicContact CB-CB 4.21Å; M171-F213 HydrophobicContact CB-CD1 3.96Å; M171-F213 HydrophobicContact CB-CG 4.34Å; A172-F213 HydrophobicContact CB-CD1 4.1Å; A172-F213 HydrophobicContact CB-CE1 4.35Å; S175-F213 WeakPolarHBondContact CB-O 3.42Å; S175-F213 PolarHBondContact OG-O 2.74Å; R209-F213 WeakPolarHBondContact O-CD2 3.44Å; R209-F213 PolarHBondContact O-N 2.83Å; C210-F213 CarbonylContact O-C 3.23Å; C210-F213 PolarHBondContact O-N 2.94Å; C210-F213 VanDerWaalsContact O-N 3.1Å; E211-F213 PolarHBondContact O-N 2.91Å
214G98.6Very high98.8Very high28 Ų2850.1 Ų50.129%0.28925%0.25SS..THydrogen-bonded Turntrans86.116.1173.200000115.4C210 E211 A212 Q238C210-G214 PolarHBondContact O-N 2.78Å; E211-G214 PolarHBondContact O-N 3.42Å; A212-G214 VanDerWaalsContact C-N 3.31Å; G214-Q238 PolarHBondContact O-NE2 3.26Å
215W98.8Very high98.7Very high5 Ų546.8 Ų46.82%0.01924%0.235CC..  trans-92.4147.5177.9-71.957.7000111.8L133 M171 A174 L182 A184 C210 A217 P239 L240 A241L133-W215 HydrophobicContact CD1-CH2 4.2Å; M171-W215 HydrophobicContact CE-CB 4.23Å; M171-W215 HydrophobicContact CE-CD2 3.59Å; M171-W215 HydrophobicContact CE-CE3 4.26Å; M171-W215 HydrophobicContact CE-CG 3.54Å; M171-W215 HydrophobicContact CE-CZ2 4.36Å; M171-W215 PolarHBondContact O-NE1 2.92Å; M171-W215 HydrophobicContact SD-CD2 3.8Å; M171-W215 HydrophobicContact SD-CE3 4.28Å; M171-W215 HydrophobicContact SD-CG 4.33Å; M171-W215 HydrophobicContact SD-CH2 3.99Å; M171-W215 HydrophobicContact SD-CZ2 3.45Å; M171-W215 WeakPolarHBondContact SD-CZ2 3.48Å; M171-W215 HydrophobicContact SD-CZ3 4.38Å; A174-W215 HydrophobicContact CB-CH2 4.12Å; A174-W215 HydrophobicContact CB-CZ2 3.29Å; L182-W215 HydrophobicContact CD2-CH2 3.62Å; L182-W215 HydrophobicContact CD2-CZ2 4.17Å; L182-W215 HydrophobicContact CG-CH2 3.99Å; A184-W215 HydrophobicContact CB-CE3 4.46Å; A184-W215 HydrophobicContact CB-CH2 3.91Å; A184-W215 HydrophobicContact CB-CZ3 3.58Å; C210-W215 HydrophobicContact CB-CB 4.32Å; C210-W215 WeakPolarHBondContact O-CB 3.4Å; C210-W215 PolarHBondContact O-N 2.73Å; C210-W215 VanDerWaalsContact O-N 3.12Å; W215-A217 PolarHBondContact O-N 3.01Å; W215-P239 HydrophobicContact CD2-CB 3.66Å; W215-P239 HydrophobicContact CD2-CG 3.7Å; W215-P239 VanDerWaalsContact CE3-C 3.47Å; W215-P239 HydrophobicContact CE3-CB 3.59Å; W215-P239 HydrophobicContact CE3-CG 4.13Å; W215-P239 HydrophobicContact CG-CB 4.39Å; W215-P239 HydrophobicContact CG-CG 3.93Å; W215-P239 HydrophobicContact CH2-CB 3.85Å; W215-P239 HydrophobicContact CZ2-CB 3.92Å; W215-P239 HydrophobicContact CZ2-CG 4.33Å; W215-P239 HydrophobicContact CZ3-CB 3.67Å; W215-L240 VanDerWaalsContact CE3-C 3.47Å; W215-L240 WeakPolarHBondContact CZ3-O 3.44Å; W215-A241 HydrophobicContact CB-CB 4.35Å; W215-A241 HydrophobicContact CE3-CB 3.91Å
216H98.7Very high98.7Very high77 Ų7745.5 Ų45.536%0.35623%0.23SC..EExtended strand (participates in β ladder)trans-75.8117.7163.7-175.951.3000108.3I218 Q238 P239 L240 A241H216-I218 VanDerWaalsContact NE2-CD1 3.34Å; H216-I218 WeakPolarHBondContact NE2-CD1 3.36Å; H216-Q238 HydrophobicContact CB-CB 4.2Å; H216-P239 PolarHBondContact N-O 2.98Å; H216-L240 CarbonylContact O-C 3.55Å; H216-L240 WeakPolarHBondContact O-CA 3.46Å; H216-L240 WeakPolarHBondContact O-CD1 3.49Å; H216-A241 PolarHBondContact O-N 2.82Å
217A98.6Very high98.7Very high4 Ų449.3 Ų49.33%0.03325%0.248CC..EExtended strand (participates in β ladder)trans-118125.6-171.400000111.7Q207 C210 E211 W215 A241 I243Q207-A217 HydrophobicContact CG-CB 3.8Å; Q207-A217 PolarHBondContact NE2-O 2.72Å; C210-A217 HydrophobicContact CB-CB 3.8Å; E211-A217 HydrophobicContact CG-CB 3.73Å; W215-A217 PolarHBondContact O-N 3.01Å; A217-A241 WeakPolarHBondContact CA-O 3.19Å; A217-A241 HydrophobicContact CB-CB 4.35Å; A217-I243 HydrophobicContact CB-CD1 3.93Å
218I98.6Very high98.6Very high36 Ų3647 Ų4719%0.18524%0.237CC..EExtended strand (participates in β ladder)trans-126.9126.7-178.9-62.4174.2000109.5H216 V220 V231 L240 A241 I243H216-I218 VanDerWaalsContact NE2-CD1 3.34Å; H216-I218 WeakPolarHBondContact NE2-CD1 3.36Å; I218-V220 HydrophobicContact CG2-CG1 4.03Å; I218-V231 HydrophobicContact CB-CG2 3.94Å; I218-V231 HydrophobicContact CD1-CG2 3.47Å; I218-V231 VanDerWaalsContact CD1-CG2 3.47Å; I218-V231 HydrophobicContact CG1-CG2 4.28Å; I218-V231 HydrophobicContact CG2-CG2 3.86Å; I218-L240 HydrophobicContact CD1-CD1 4.14Å; I218-L240 HydrophobicContact CG1-CD1 4.39Å; I218-A241 PolarHBondContact N-O 2.91Å; I218-I243 PolarHBondContact O-N 2.94Å
219I98.9Very high98.6Very high61 Ų6140 Ų4031%0.31321%0.211SC..EExtended strand (participates in β ladder)trans-84.2134.8171.7-59.7168.1000108.9V203 Q207 I243V203-I219 HydrophobicContact CB-CD1 4.17Å; V203-I219 HydrophobicContact CB-CG1 4.39Å; V203-I219 HydrophobicContact CB-CG2 4.15Å; V203-I219 HydrophobicContact CG2-CD1 4Å; V203-I219 HydrophobicContact CG2-CG2 3.95Å; Q207-I219 HydrophobicContact CB-CD1 4.08Å; Q207-I219 HydrophobicContact CB-CG1 4.23Å; Q207-I219 HydrophobicContact CG-CD1 4.46Å; Q207-I219 HydrophobicContact CG-CG1 4.46Å; I219-I243 WeakPolarHBondContact CA-O 3.38Å; I219-I243 HydrophobicContact CG1-CB 4.18Å; I219-I243 HydrophobicContact CG1-CD1 4.16Å; I219-I243 HydrophobicContact CG1-CG2 4.35Å
220V98.8Very high98.5Very high8 Ų840.1 Ų40.15%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-136.2157.2174.8-60.30000110.9I218 G222 E227 L228 V231 I242 I243 A244 K245I218-V220 HydrophobicContact CG2-CG1 4.03Å; V220-G222 PolarHBondContact O-N 3.4Å; V220-E227 WeakPolarHBondContact CA-OE2 3.47Å; V220-E227 HydrophobicContact CB-CB 4.21Å; V220-E227 HydrophobicContact CG1-CB 4.34Å; V220-L228 HydrophobicContact CG2-CD2 4.03Å; V220-V231 HydrophobicContact CG1-CB 4.35Å; V220-V231 HydrophobicContact CG1-CG1 4.1Å; V220-I242 HydrophobicContact CG1-CG2 4.42Å; V220-I242 HydrophobicContact CG2-CG2 3.54Å; V220-I243 PolarHBondContact N-O 3.23Å; V220-I243 VanDerWaalsContact N-O 3.11Å; V220-A244 HydrophobicContact CG2-CB 4.1Å; V220-K245 PolarHBondContact O-N 2.88Å
221D98.8Very high98.4Very high72 Ų7240.3 Ų40.339%0.38522%0.215SC..EExtended strand (participates in β ladder)trans-69111.2156.9179.9-0.9000108.8H223 S224 E227D221-H223 PolarHBondContact O-N 3.34Å; D221-H223 VanDerWaalsContact O-N 3.13Å; D221-H223 PolarHBondContact OD1-N 3.49Å; D221-S224 WeakPolarHBondContact O-CB 3.21Å; D221-S224 PolarHBondContact O-N 3.32Å; D221-E227 PolarHBondContact N-OE2 3.24Å
222G98.8Very high98.3Very high0 Ų036.3 Ų36.30%020%0.197CC..THydrogen-bonded Turntrans-68.4-8.8-178.500000114.3V220 K245V220-G222 PolarHBondContact O-N 3.4Å; G222-K245 PolarHBondContact N-O 2.96Å
223H98.8Very high98Very high31 Ų3134.5 Ų34.514%0.14418%0.179CC..THydrogen-bonded Turntrans-101.20.6171.7-59.4-51.1000113.1S47 E50 D221 T246 I247 K250S47-H223 PolarHBondContact O-CE1 2.57Å; S47-H223 VanDerWaalsContact O-CE1 3.32Å; E50-H223 IonicContact OE2-CE1 2.84Å; E50-H223 IonicContact OE2-CG 3.73Å; E50-H223 IonicContact OE2-ND1 2.73Å; E50-H223 PolarHBondContact OE2-ND1 3.12Å; D221-H223 PolarHBondContact O-N 3.34Å; D221-H223 VanDerWaalsContact O-N 3.13Å; D221-H223 PolarHBondContact OD1-N 3.49Å; H223-T246 WeakPolarHBondContact NE2-CA 3.44Å; H223-I247 PolarHBondContact NE2-N 2.86Å; H223-K250 VanDerWaalsContact CE1-CG 3.49Å; H223-K250 WeakPolarHBondContact CE1-CG 3.36Å
224S98.6Very high97.5Very high19 Ų1934.3 Ų34.313%0.13318%0.179CC..  trans-93.2100.9174.1-179.30000110.6D221 E226 E227 L228D221-S224 WeakPolarHBondContact O-CB 3.21Å; D221-S224 PolarHBondContact O-N 3.32Å; S224-E226 PolarHBondContact O-N 3.48Å; S224-E227 PolarHBondContact O-N 3.3Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-N 3.14Å; S224-L228 WeakPolarHBondContact O-CG 3.07Å; S224-L228 PolarHBondContact O-N 2.95Å; S224-L228 VanDerWaalsContact O-N 3.08Å
225V98.1Very high96.9Very high1 Ų138.1 Ų38.11%0.00620%0.199CC..Hα-helixtrans-58.1-31.8175.6-60.50000112.3V16 L19 R20 E50 V54 C229V16-V225 HydrophobicContact CB-CG2 4.39Å; V16-V225 HydrophobicContact CG1-CG2 3.68Å; L19-V225 HydrophobicContact CB-CB 4.34Å; L19-V225 HydrophobicContact CB-CG1 4.17Å; R20-V225 HydrophobicContact CG-CG1 4.11Å; R20-V225 HydrophobicContact CG-CG2 4Å; E50-V225 HydrophobicContact CB-CG1 4.09Å; E50-V225 HydrophobicContact CG-CG1 3.87Å; V54-V225 HydrophobicContact CG2-CB 3.92Å; V54-V225 HydrophobicContact CG2-CG1 4.09Å; V225-C229 WeakPolarHBondContact O-CB 3.32Å; V225-C229 PolarHBondContact O-N 2.91Å; V225-C229 PolarHBondContact O-SG 2.79Å
226E97.7Very high96.4Very high50 Ų5039.1 Ų39.123%0.23420%0.203CC..Hα-helixtrans-70-44179.6-73.2174.8101.900111.8K10 V16 R20 S224 C229 K230K10-E226 IonicContact NZ-OE1 3.21Å; V16-E226 HydrophobicContact CB-CG 4.5Å; V16-E226 HydrophobicContact CG1-CG 3.98Å; V16-E226 HydrophobicContact CG2-CG 3.64Å; R20-E226 IonicContact NH2-OE2 2.72Å; R20-E226 PolarHBondContact NH2-OE2 2.8Å; S224-E226 PolarHBondContact O-N 3.48Å; E226-C229 PolarHBondContact O-N 2.87Å; E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 PolarHBondContact O-N 2.8Å
227E98.2Very high96.1Very high83 Ų8343.1 Ų43.139%0.38822%0.221SC..Hα-helixtrans-65-42.4176-73.3-179.5-139.600111.5V220 D221 S224 K230 V231V220-E227 WeakPolarHBondContact CA-OE2 3.47Å; V220-E227 HydrophobicContact CB-CB 4.21Å; V220-E227 HydrophobicContact CG1-CB 4.34Å; D221-E227 PolarHBondContact N-OE2 3.24Å; S224-E227 PolarHBondContact O-N 3.3Å; S224-E227 WeakPolarHBondContact OG-CG 3.49Å; S224-E227 PolarHBondContact OG-N 3.14Å; E227-K230 PolarHBondContact O-N 2.85Å; E227-V231 WeakPolarHBondContact O-CG1 3Å; E227-V231 PolarHBondContact O-N 2.86Å
228L98.6Very high96.1Very high2 Ų247.4 Ų47.41%0.0124%0.24CC..Hα-helixtrans-60.3-48.8175.8-70.3168.3000111.8E50 I51 V54 V220 S224 K230 V231 L232E50-L228 HydrophobicContact CB-CD1 3.99Å; I51-L228 HydrophobicContact CG1-CD1 4.06Å; I51-L228 HydrophobicContact CG1-CD2 4.15Å; V54-L228 HydrophobicContact CB-CB 4.14Å; V54-L228 HydrophobicContact CG1-CB 3.89Å; V54-L228 HydrophobicContact CG2-CB 3.98Å; V54-L228 HydrophobicContact CG2-CD1 4.17Å; V220-L228 HydrophobicContact CG2-CD2 4.03Å; S224-L228 WeakPolarHBondContact O-CG 3.07Å; S224-L228 PolarHBondContact O-N 2.95Å; S224-L228 VanDerWaalsContact O-N 3.08Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 2.95Å; L228-V231 WeakPolarHBondContact O-CG1 3.34Å; L228-V231 PolarHBondContact O-N 3.14Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CD1 3.37Å; L228-L232 WeakPolarHBondContact O-CG 3.27Å; L228-L232 PolarHBondContact O-N 2.93Å; L228-L232 VanDerWaalsContact O-N 3.09Å
229C97.8Very high96.1Very high0 Ų045.8 Ų45.80%023%0.232CC..Hα-helixtrans-59.1-41.9175.2-74.70000111.9P11 H58 V225 E226 S233P11-C229 HydrophobicContact CG-CB 3.9Å; H58-C229 PolarHBondContact CD2-SG 3.33Å; V225-C229 WeakPolarHBondContact O-CB 3.32Å; V225-C229 PolarHBondContact O-N 2.91Å; V225-C229 PolarHBondContact O-SG 2.79Å; E226-C229 PolarHBondContact O-N 2.87Å; C229-S233 WeakPolarHBondContact O-CB 3.4Å; C229-S233 PolarHBondContact O-N 3.3Å; C229-S233 PolarHBondContact O-OG 3.42Å
230K96.7Very high96.1Very high114 Ų11443 Ų4350%0.49622%0.218SC..Hα-helixtrans-64.7-43.4-179.9-177-176.7175.7-173.80112.3Y8 E226 E227 L228 S233 Q234Y8-K230 HydrophobicContact CE1-CB 4.42Å; Y8-K230 HydrophobicContact CE1-CG 4.11Å; Y8-K230 WeakPolarHBondContact OH-CA 3.37Å; Y8-K230 WeakPolarHBondContact OH-CB 3.44Å; E226-K230 WeakPolarHBondContact O-CB 3.27Å; E226-K230 PolarHBondContact O-N 2.8Å; E227-K230 PolarHBondContact O-N 2.85Å; L228-K230 VanDerWaalsContact C-N 3.3Å; L228-K230 PolarHBondContact O-N 2.95Å; K230-S233 PolarHBondContact O-OG 2.9Å; K230-Q234 WeakPolarHBondContact O-CG 3.43Å; K230-Q234 PolarHBondContact O-NE2 3.28Å
231V97.1Very high96.1Very high4 Ų442.7 Ų42.72%0.02422%0.216CC..Hα-helixtrans-74.6-36.2-177.568.90000112.1I218 V220 E227 L228 S233 Q234 L240 I242I218-V231 HydrophobicContact CB-CG2 3.94Å; I218-V231 HydrophobicContact CD1-CG2 3.47Å; I218-V231 VanDerWaalsContact CD1-CG2 3.47Å; I218-V231 HydrophobicContact CG1-CG2 4.28Å; I218-V231 HydrophobicContact CG2-CG2 3.86Å; V220-V231 HydrophobicContact CG1-CB 4.35Å; V220-V231 HydrophobicContact CG1-CG1 4.1Å; E227-V231 WeakPolarHBondContact O-CG1 3Å; E227-V231 PolarHBondContact O-N 2.86Å; L228-V231 WeakPolarHBondContact O-CG1 3.34Å; L228-V231 PolarHBondContact O-N 3.14Å; V231-S233 VanDerWaalsContact C-N 3.29Å; V231-S233 PolarHBondContact O-N 3.37Å; V231-Q234 PolarHBondContact O-N 3.03Å; V231-L240 HydrophobicContact CG2-CD2 4.45Å; V231-I242 HydrophobicContact CG1-CD1 3.63Å; V231-I242 HydrophobicContact CG1-CG1 4.09Å; V231-I242 HydrophobicContact CG1-CG2 4.36Å; V231-I242 HydrophobicContact CG2-CD1 4.32Å; V231-I242 HydrophobicContact CG2-CG1 4.12Å
232L96Very high96.1Very high8 Ų839.2 Ų39.24%0.04220%0.198CC..Hα-helixtrans-72.8-22.1-175.8-74.5163.6000114V54 L55 S59 R152 F154 V183 L228 I242V54-L232 HydrophobicContact CG1-CD1 3.73Å; L55-L232 HydrophobicContact CD2-CD1 3.82Å; L55-L232 HydrophobicContact CD2-CD2 3.94Å; S59-L232 WeakPolarHBondContact OG-CD1 3.44Å; R152-L232 PolarHBondContact NH2-O 3.1Å; F154-L232 HydrophobicContact CD1-CD2 4.24Å; F154-L232 HydrophobicContact CE1-CD2 3.8Å; V183-L232 HydrophobicContact CG1-CD2 4.27Å; L228-L232 WeakPolarHBondContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CD1 3.37Å; L228-L232 WeakPolarHBondContact O-CG 3.27Å; L228-L232 PolarHBondContact O-N 2.93Å; L228-L232 VanDerWaalsContact O-N 3.09Å; L232-I242 HydrophobicContact CD2-CD1 3.52Å; L232-I242 HydrophobicContact CG-CD1 3.85Å
233S92.6Very high96.1Very high47 Ų4739.2 Ų39.233%0.32920%0.198SC..THydrogen-bonded Turntrans-88.1-10.5179.949.60000114.2Y8 C229 K230 V231Y8-S233 WeakPolarHBondContact CD2-OG 3.42Å; Y8-S233 WeakPolarHBondContact CE2-OG 3.24Å; C229-S233 WeakPolarHBondContact O-CB 3.4Å; C229-S233 PolarHBondContact O-N 3.3Å; C229-S233 PolarHBondContact O-OG 3.42Å; K230-S233 PolarHBondContact O-OG 2.9Å; V231-S233 VanDerWaalsContact C-N 3.29Å; V231-S233 PolarHBondContact O-N 3.37Å
234Q88.9Confident96.1Very high70 Ų7037.8 Ų37.833%0.32719%0.191SC..SBendtrans-70139.5-178.8-72.9171.71500111.7K230 V231K230-Q234 WeakPolarHBondContact O-CG 3.43Å; K230-Q234 PolarHBondContact O-NE2 3.28Å; V231-Q234 PolarHBondContact O-N 3.03Å
235P85.1Confident96.1Very high108 Ų10841.5 Ų41.570%0.70120%0.204SC*.  trans-65.2152.6169.630.1-34.5000109.7
236R88.4Confident96.1Very high27 Ų2741.5 Ų41.510%0.10221%0.205CC..  trans-151.9154.3-175.857.7-177.3177.1-132.78.3112R152 D180R152-R236 VanDerWaalsContact NH2-NH2 3.11Å; D180-R236 WeakPolarHBondContact O-CD 3.41Å; D180-R236 WeakPolarHBondContact O-CG 3.3Å; D180-R236 PolarHBondContact O-NE 3.39Å
237H93.8Very high96.2Very high161 Ų16141.1 Ų41.175%0.74520%0.204SC*.SBendtrans-126.65.4178.7-57.2-60.8000112.3
238Q97.1Very high96.2Very high93 Ų9337.7 Ų37.744%0.43519%0.188SC..SBendtrans-135.2157.4178.7-69.3178.5-75.900108.8G214 H216 L240G214-Q238 PolarHBondContact O-NE2 3.26Å; H216-Q238 HydrophobicContact CB-CB 4.2Å; Q238-L240 PolarHBondContact O-N 3.03Å
239P98.8Very high96.2Very high2 Ų237.6 Ų37.61%0.01319%0.187CC..  trans-58.4136.8167.829.3-37.3000109.9A174 L179 W215 H216A174-P239 HydrophobicContact CB-CB 4.22Å; A174-P239 HydrophobicContact CB-CG 4.27Å; L179-P239 WeakPolarHBondContact O-CA 3.38Å; L179-P239 WeakPolarHBondContact O-CB 3.34Å; W215-P239 HydrophobicContact CD2-CB 3.66Å; W215-P239 HydrophobicContact CD2-CG 3.7Å; W215-P239 VanDerWaalsContact CE3-C 3.47Å; W215-P239 HydrophobicContact CE3-CB 3.59Å; W215-P239 HydrophobicContact CE3-CG 4.13Å; W215-P239 HydrophobicContact CG-CB 4.39Å; W215-P239 HydrophobicContact CG-CG 3.93Å; W215-P239 HydrophobicContact CH2-CB 3.85Å; W215-P239 HydrophobicContact CZ2-CB 3.92Å; W215-P239 HydrophobicContact CZ2-CG 4.33Å; W215-P239 HydrophobicContact CZ3-CB 3.67Å; H216-P239 PolarHBondContact N-O 2.98Å
240L98.8Very high96.3Very high4 Ų440.1 Ų40.12%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-102125.6-173.1171.965.9000111.3L182 V183 A184 W215 H216 I218 V231 Q238 I242L182-L240 PolarHBondContact O-N 3.37Å; L182-L240 VanDerWaalsContact O-N 3.09Å; V183-L240 CarbonylContact C-O 3.59Å; V183-L240 WeakPolarHBondContact CA-O 3.34Å; V183-L240 HydrophobicContact CG1-CB 4.41Å; V183-L240 HydrophobicContact CG1-CD2 4.09Å; V183-L240 HydrophobicContact CG1-CG 4.21Å; V183-L240 HydrophobicContact CG2-CD2 4.43Å; A184-L240 PolarHBondContact N-O 3.21Å; W215-L240 VanDerWaalsContact CE3-C 3.47Å; W215-L240 WeakPolarHBondContact CZ3-O 3.44Å; H216-L240 CarbonylContact O-C 3.55Å; H216-L240 WeakPolarHBondContact O-CA 3.46Å; H216-L240 WeakPolarHBondContact O-CD1 3.49Å; I218-L240 HydrophobicContact CD1-CD1 4.14Å; I218-L240 HydrophobicContact CG1-CD1 4.39Å; V231-L240 HydrophobicContact CG2-CD2 4.45Å; Q238-L240 PolarHBondContact O-N 3.03Å; L240-I242 HydrophobicContact CD1-CG1 4.43Å; L240-I242 HydrophobicContact CD2-CD1 4.14Å; L240-I242 HydrophobicContact CD2-CG1 4.03Å; L240-I242 HydrophobicContact CG-CG1 4.04Å
241A98.9Very high96.3Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-105.7112.4170.700000109.9A184 C210 W215 H216 A217 I218A184-A241 CarbonylContact O-C 3.55Å; A184-A241 WeakPolarHBondContact O-CA 3.19Å; C210-A241 HydrophobicContact CB-CB 3.96Å; W215-A241 HydrophobicContact CB-CB 4.35Å; W215-A241 HydrophobicContact CE3-CB 3.91Å; H216-A241 PolarHBondContact O-N 2.82Å; A217-A241 WeakPolarHBondContact CA-O 3.19Å; A217-A241 HydrophobicContact CB-CB 4.35Å; I218-A241 PolarHBondContact N-O 2.91Å
242I98.9Very high96.3Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans-93.2113.7171.4-60.3171.9000107.9V183 A184 I185 M186 V220 V231 L232 L240 A244V183-I242 HydrophobicContact CG1-CD1 3.86Å; V183-I242 HydrophobicContact CG1-CG1 4.23Å; A184-I242 PolarHBondContact O-N 3.42Å; I185-I242 WeakPolarHBondContact CA-O 3.38Å; I185-I242 HydrophobicContact CG1-CB 4.29Å; I185-I242 HydrophobicContact CG1-CD1 4.19Å; I185-I242 HydrophobicContact CG2-CB 4.34Å; I185-I242 HydrophobicContact CG2-CG2 4.39Å; M186-I242 PolarHBondContact N-O 2.56Å; V220-I242 HydrophobicContact CG1-CG2 4.42Å; V220-I242 HydrophobicContact CG2-CG2 3.54Å; V231-I242 HydrophobicContact CG1-CD1 3.63Å; V231-I242 HydrophobicContact CG1-CG1 4.09Å; V231-I242 HydrophobicContact CG1-CG2 4.36Å; V231-I242 HydrophobicContact CG2-CD1 4.32Å; V231-I242 HydrophobicContact CG2-CG1 4.12Å; L232-I242 HydrophobicContact CD2-CD1 3.52Å; L232-I242 HydrophobicContact CG-CD1 3.85Å; L240-I242 HydrophobicContact CD1-CG1 4.43Å; L240-I242 HydrophobicContact CD2-CD1 4.14Å; L240-I242 HydrophobicContact CD2-CG1 4.03Å; L240-I242 HydrophobicContact CG-CG1 4.04Å; I242-A244 PolarHBondContact O-N 3.49Å
243I98.9Very high96.3Very high0 Ų037.9 Ų37.90%020%0.196CC..EExtended strand (participates in β ladder)trans-95.887.9-179.8-58.1146.9000106.8I188 V203 Q207 A217 I218 I219 V220 K245I188-I243 HydrophobicContact CG1-CG2 3.76Å; V203-I243 HydrophobicContact CB-CG2 4.08Å; V203-I243 HydrophobicContact CG1-CG2 4.2Å; Q207-I243 HydrophobicContact CB-CD1 3.56Å; Q207-I243 HydrophobicContact CG-CD1 3.91Å; A217-I243 HydrophobicContact CB-CD1 3.93Å; I218-I243 PolarHBondContact O-N 2.94Å; I219-I243 WeakPolarHBondContact CA-O 3.38Å; I219-I243 HydrophobicContact CG1-CB 4.18Å; I219-I243 HydrophobicContact CG1-CD1 4.16Å; I219-I243 HydrophobicContact CG1-CG2 4.35Å; V220-I243 PolarHBondContact N-O 3.23Å; V220-I243 VanDerWaalsContact N-O 3.11Å; I243-K245 PolarHBondContact O-N 3.43Å
244A98.9Very high96.3Very high0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-84.1108.5-174.400000109.6I51 I185 M186 I188 V220 I242 T246I51-A244 HydrophobicContact CD1-CB 3.81Å; I185-A244 HydrophobicContact CG2-CB 4.34Å; M186-A244 PolarHBondContact O-N 2.95Å; I188-A244 WeakPolarHBondContact CA-O 3.3Å; I188-A244 WeakPolarHBondContact CB-O 3.39Å; I188-A244 PolarHBondContact N-O 3.1Å; V220-A244 HydrophobicContact CG2-CB 4.1Å; I242-A244 PolarHBondContact O-N 3.49Å; A244-T246 HydrophobicContact CB-CG2 4.19Å; A244-T246 PolarHBondContact O-N 3.08Å
245K98.9Very high96.7Very high97 Ų9734.6 Ų34.642%0.42218%0.183SC..EExtended strand (participates in β ladder)trans-71.7113170.4-170.2177.2175.6176.90108.5V203 V220 G222 I243V203-K245 HydrophobicContact CG1-CB 4.04Å; V203-K245 HydrophobicContact CG1-CD 4.41Å; V203-K245 HydrophobicContact CG1-CG 4.19Å; V220-K245 PolarHBondContact O-N 2.88Å; G222-K245 PolarHBondContact N-O 2.96Å; I243-K245 PolarHBondContact O-N 3.43Å
246T98.9Very high97.3Very high2 Ų231.8 Ų31.81%0.01216%0.161CC..  trans-129.4178.7-176.356.20000110.6S47 I51 D187 I188 N189 H201 H223 A244S47-T246 WeakPolarHBondContact O-CG2 3.34Å; I51-T246 HydrophobicContact CD1-CG2 4.21Å; D187-T246 WeakPolarHBondContact OD1-CB 3.43Å; D187-T246 WeakPolarHBondContact OD1-CG2 3.36Å; D187-T246 PolarHBondContact OD1-OG1 2.81Å; I188-T246 VanDerWaalsContact C-OG1 3.3Å; I188-T246 PolarHBondContact O-N 2.82Å; I188-T246 PolarHBondContact O-OG1 2.89Å; N189-T246 WeakPolarHBondContact CA-O 3.43Å; N189-T246 WeakPolarHBondContact CA-OG1 3.49Å; N189-T246 VanDerWaalsContact CB-OG1 3.26Å; N189-T246 WeakPolarHBondContact CB-OG1 3.45Å; N189-T246 PolarHBondContact N-OG1 2.81Å; H201-T246 PolarHBondContact CE1-O 2.86Å; H201-T246 VanDerWaalsContact CE1-O 3.32Å; H201-T246 PolarHBondContact NE2-O 3.44Å; H223-T246 WeakPolarHBondContact NE2-CA 3.44Å; A244-T246 HydrophobicContact CB-CG2 4.19Å; A244-T246 PolarHBondContact O-N 3.08Å
247I98.8Very high97.8Very high42 Ų4233.6 Ų33.622%0.21517%0.173CC..  trans-126.2126.1176-54.2173.2000109.4S47 H223 G249 K250 E256 D257S47-I247 WeakPolarHBondContact CA-O 3.23Å; S47-I247 WeakPolarHBondContact CB-O 3.2Å; H223-I247 PolarHBondContact NE2-N 2.86Å; I247-G249 PolarHBondContact O-N 3.27Å; I247-K250 HydrophobicContact CB-CD 4.27Å; I247-K250 HydrophobicContact CD1-CD 4.29Å; I247-K250 WeakPolarHBondContact O-CB 3.31Å; I247-K250 PolarHBondContact O-N 3.08Å; I247-K250 VanDerWaalsContact O-N 3.16Å; I247-E256 HydrophobicContact CB-CG 4.37Å; I247-E256 HydrophobicContact CG2-CG 3.44Å; I247-E256 VanDerWaalsContact CG2-CG 3.44Å; I247-D257 HydrophobicContact CG2-CB 3.67Å
248K98.8Very high98Very high10 Ų1031.8 Ų31.84%0.04316%0.163CC..THydrogen-bonded Turntrans-64.5132175.4-159.8164.6-168.7163.70109.5S44 N189 L191 G192 K250 E256 D257 H262S44-K248 WeakPolarHBondContact OG-CE 3.13Å; N189-K248 HydrophobicContact CB-CB 4.04Å; N189-K248 PolarHBondContact O-N 3.31Å; L191-K248 HydrophobicContact CB-CB 4.37Å; L191-K248 HydrophobicContact CB-CD 3.58Å; L191-K248 HydrophobicContact CD1-CB 4.26Å; L191-K248 HydrophobicContact CD1-CD 4.33Å; L191-K248 PolarHBondContact O-NZ 2.85Å; G192-K248 PolarHBondContact O-NZ 3.42Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K248-E256 WeakPolarHBondContact O-CA 3.38Å; K248-D257 PolarHBondContact O-N 3.35Å; K248-H262 PolarHBondContact NZ-ND1 2.89Å
249G98.5Very high98Very high0 Ų031 Ų310%016%0.16CC..THydrogen-bonded Turntrans74.418.6-175.900000114.9T43 I247 G251 I252T43-G249 PolarHBondContact O-N 3.45Å; I247-G249 PolarHBondContact O-N 3.27Å; G249-G251 PolarHBondContact O-N 2.92Å; G249-I252 VanDerWaalsContact O-CB 3.31Å; G249-I252 WeakPolarHBondContact O-CB 3.42Å; G249-I252 PolarHBondContact O-N 3Å
250K98.6Very high97.9Very high54 Ų5432.8 Ų32.824%0.23518%0.179CC..THydrogen-bonded Turntrans-46.5124.8179.8-175.367178.6173.10112.8R27 C46 H223 I247 K248 E256R27-K250 WeakPolarHBondContact CD-O 3.44Å; R27-K250 PolarHBondContact NE-O 2.8Å; C46-K250 WeakPolarHBondContact CB-O 3.49Å; H223-K250 VanDerWaalsContact CE1-CG 3.49Å; H223-K250 WeakPolarHBondContact CE1-CG 3.36Å; I247-K250 HydrophobicContact CB-CD 4.27Å; I247-K250 HydrophobicContact CD1-CD 4.29Å; I247-K250 WeakPolarHBondContact O-CB 3.31Å; I247-K250 PolarHBondContact O-N 3.08Å; I247-K250 VanDerWaalsContact O-N 3.16Å; K248-K250 VanDerWaalsContact C-N 3.33Å; K250-E256 VanDerWaalsContact CD-OE1 3.27Å; K250-E256 WeakPolarHBondContact CD-OE1 3.3Å; K250-E256 IonicContact NZ-OE1 3.8Å; K250-E256 PolarHBondContact NZ-OE1 2.83Å
251G97.1Very high97.8Very high1 Ų135.2 Ų35.21%0.0119%0.188CC..THydrogen-bonded Turntrans85.27.3-178.600000114.5G249 E256G249-G251 PolarHBondContact O-N 2.92Å; G251-E256 PolarHBondContact N-OE2 2.83Å
252I97.8Very high97.8Very high0 Ų036.8 Ų36.80%020%0.195CC..  trans-11693.7172.6-52.1174.7000107.7I31 T43 G249 A254 A255 E256 L266 V274I31-I252 HydrophobicContact CD1-CD1 4.08Å; I31-I252 HydrophobicContact CD1-CG1 4.09Å; I31-I252 HydrophobicContact CG1-CD1 4.31Å; T43-I252 HydrophobicContact CG2-CD1 4.36Å; G249-I252 VanDerWaalsContact O-CB 3.31Å; G249-I252 WeakPolarHBondContact O-CB 3.42Å; G249-I252 PolarHBondContact O-N 3Å; I252-A254 PolarHBondContact O-N 2.91Å; I252-A255 HydrophobicContact CB-CB 4.2Å; I252-A255 HydrophobicContact CG2-CB 3.77Å; I252-A255 CarbonylContact O-C 3.56Å; I252-A255 PolarHBondContact O-N 3.21Å; I252-E256 WeakPolarHBondContact O-CB 3.28Å; I252-E256 PolarHBondContact O-N 3.33Å; I252-L266 HydrophobicContact CD1-CD1 4.29Å; I252-L266 HydrophobicContact CG2-CD1 3.91Å; I252-L266 HydrophobicContact CG2-CD2 4.07Å; I252-V274 HydrophobicContact CB-CG1 4.48Å; I252-V274 HydrophobicContact CG1-CG1 4.15Å; I252-V274 HydrophobicContact CG2-CG1 4.37Å; I252-V274 HydrophobicContact CG2-CG2 4.19Å
253P95.6Very high97.7Very high77 Ų7738.1 Ų38.150%0.521%0.209SC..THydrogen-bonded Turntrans-53.1-36.2-171.1-3035.5000115.3A255 E277P253-A255 VanDerWaalsContact C-N 3.31Å; P253-A255 PolarHBondContact O-N 3.31Å; P253-E277 WeakPolarHBondContact CG-OE2 3.43Å
254A93.8Very high97.6Very high47 Ų4743.4 Ų43.439%0.38823%0.232SC..THydrogen-bonded Turntrans-74.7-16.8179.700000114.4I252 W261 M270I252-A254 PolarHBondContact O-N 2.91Å; A254-W261 PolarHBondContact O-NE1 3.05Å; A254-M270 HydrophobicContact CB-CE 4.29Å; A254-M270 HydrophobicContact CB-SD 4.06Å
255A96.6Very high97.6Very high1 Ų145 Ų451%0.00824%0.243CC..THydrogen-bonded Turntrans-126.1-10.9-172.300000114.1T43 I252 P253 D257 K258 W261T43-A255 HydrophobicContact CG2-CB 3.87Å; I252-A255 HydrophobicContact CB-CB 4.2Å; I252-A255 HydrophobicContact CG2-CB 3.77Å; I252-A255 CarbonylContact O-C 3.56Å; I252-A255 PolarHBondContact O-N 3.21Å; P253-A255 VanDerWaalsContact C-N 3.31Å; P253-A255 PolarHBondContact O-N 3.31Å; A255-D257 PolarHBondContact O-N 2.77Å; A255-K258 PolarHBondContact O-N 3.22Å; A255-K258 VanDerWaalsContact O-N 3.15Å; A255-W261 HydrophobicContact CB-CB 4.06Å; A255-W261 HydrophobicContact CB-CD2 3.64Å; A255-W261 HydrophobicContact CB-CE3 4.17Å; A255-W261 HydrophobicContact CB-CG 3.6Å
256E97.7Very high97.5Very high49 Ų4940.6 Ų40.623%0.22922%0.223CC..THydrogen-bonded Turntrans-63121.1-179.5-172.9165.5157.900110.6I247 K248 K250 G251 I252 K258I247-E256 HydrophobicContact CB-CG 4.37Å; I247-E256 HydrophobicContact CG2-CG 3.44Å; I247-E256 VanDerWaalsContact CG2-CG 3.44Å; K248-E256 WeakPolarHBondContact O-CA 3.38Å; K250-E256 VanDerWaalsContact CD-OE1 3.27Å; K250-E256 WeakPolarHBondContact CD-OE1 3.3Å; K250-E256 IonicContact NZ-OE1 3.8Å; K250-E256 PolarHBondContact NZ-OE1 2.83Å; G251-E256 PolarHBondContact N-OE2 2.83Å; I252-E256 WeakPolarHBondContact O-CB 3.28Å; I252-E256 PolarHBondContact O-N 3.33Å; E256-K258 PolarHBondContact O-N 3.41Å
257D98.3Very high97.4Very high66 Ų6643.6 Ų43.635%0.35324%0.243SC..THydrogen-bonded Turntrans59.121.3-175.8-158.234.7000115R190 I247 K248 A255R190-D257 IonicContact CZ-OD1 2.82Å; R190-D257 IonicContact CZ-OD2 3.94Å; R190-D257 IonicContact NE-OD1 3.41Å; R190-D257 PolarHBondContact NE-OD1 3.39Å; R190-D257 IonicContact NE-OD2 2.8Å; R190-D257 VanDerWaalsContact NH2-CG 3.3Å; R190-D257 PolarHBondContact NH2-O 3.47Å; R190-D257 IonicContact NH2-OD1 2.65Å; R190-D257 PolarHBondContact NH2-OD1 2.94Å; R190-D257 IonicContact NH2-OD2 3.79Å; I247-D257 HydrophobicContact CG2-CB 3.67Å; K248-D257 PolarHBondContact O-N 3.35Å; A255-D257 PolarHBondContact O-N 2.77Å
258K98Very high97.2Very high123 Ų12348.6 Ų48.654%0.53526%0.263SS..  trans-104.2137.3-178.2-60.9-58.4-179.6179.90112.9A255 E256A255-K258 PolarHBondContact O-N 3.22Å; A255-K258 VanDerWaalsContact O-N 3.15Å; E256-K258 PolarHBondContact O-N 3.41Å
259M97.1Very high97.1Very high75 Ų7553.6 Ų53.637%0.36929%0.29SS..THydrogen-bonded Turntrans-62.8160.4168-67.8-53.1-5800111.8L191 S194 P196 W261L191-M259 HydrophobicContact CD1-SD 3.98Å; L191-M259 HydrophobicContact CD2-SD 3.29Å; L191-M259 WeakPolarHBondContact CD2-SD 3.41Å; L191-M259 HydrophobicContact CG-SD 4.16Å; S194-M259 WeakPolarHBondContact O-CE 3.47Å; P196-M259 HydrophobicContact CG-SD 4.12Å; M259-W261 VanDerWaalsContact C-N 3.28Å; M259-W261 PolarHBondContact O-N 3.01Å
260G96.4Very high97Very high40 Ų4056.2 Ų56.241%0.41230%0.303SS..THydrogen-bonded Turntrans76.76.917100000115.5K264G260-K264 WeakPolarHBondContact O-CD 3.27Å; G260-K264 WeakPolarHBondContact O-CE 3.32Å; G260-K264 PolarHBondContact O-NZ 3.13Å
261W97.9Very high96.9Very high55 Ų5553.9 Ų53.921%0.20829%0.294CS..  trans-109.56.5177.9-74.2101.3000114.5T43 A254 A255 M259 K264 L266 M270T43-W261 HydrophobicContact CG2-CB 3.85Å; T43-W261 PolarHBondContact OG1-O 3.4Å; A254-W261 PolarHBondContact O-NE1 3.05Å; A255-W261 HydrophobicContact CB-CB 4.06Å; A255-W261 HydrophobicContact CB-CD2 3.64Å; A255-W261 HydrophobicContact CB-CE3 4.17Å; A255-W261 HydrophobicContact CB-CG 3.6Å; M259-W261 VanDerWaalsContact C-N 3.28Å; M259-W261 PolarHBondContact O-N 3.01Å; W261-K264 HydrophobicContact CE3-CB 4.27Å; W261-L266 HydrophobicContact CE3-CD2 4.16Å; W261-L266 HydrophobicContact CH2-CD2 4.34Å; W261-L266 HydrophobicContact CZ3-CD2 3.67Å; W261-M270 HydrophobicContact CH2-CE 4.01Å; W261-M270 HydrophobicContact CH2-SD 3.78Å; W261-M270 HydrophobicContact CZ3-SD 4.43Å
262H97.9Very high96.9Very high34 Ų3458.1 Ų58.116%0.15731%0.313CS..THydrogen-bonded Turntrans-71134170.7-176.281.3000110.2H41 S44 H81 K248 K264H41-H262 AromaticContact CD2-CE1 3.85Å; H41-H262 AromaticContact CD2-NE2 3.71Å; S44-H262 PolarHBondContact OG-ND1 3.39Å; H81-H262 AromaticContact CD2-CE1 3.79Å; H81-H262 AromaticContact NE2-CE1 3.74Å; K248-H262 PolarHBondContact NZ-ND1 2.89Å; H262-K264 PolarHBondContact O-N 3.2Å
263G96.6Very high96.9Very high28 Ų2861.2 Ų61.229%0.28934%0.335SS..THydrogen-bonded Turntrans66.912.8178.700000115.4G40 H41G40-G263 CarbonylContact O-C 3.01Å; G40-G263 VanDerWaalsContact O-CA 3.31Å; G40-G263 WeakPolarHBondContact O-CA 3.37Å; H41-G263 WeakPolarHBondContact CD2-CA 3.47Å
264K97.9Very high97Very high110 Ų11058 Ų5848%0.47831%0.314SS..  trans-108.1119.1179.5-63.5-166.7-172164.90111G40 P42 G260 W261 H262G40-K264 PolarHBondContact O-N 3.27Å; P42-K264 WeakPolarHBondContact CD-O 3.49Å; P42-K264 WeakPolarHBondContact CG-O 3.39Å; G260-K264 WeakPolarHBondContact O-CD 3.27Å; G260-K264 WeakPolarHBondContact O-CE 3.32Å; G260-K264 PolarHBondContact O-NZ 3.13Å; W261-K264 HydrophobicContact CE3-CB 4.27Å; H262-K264 PolarHBondContact O-N 3.2Å
265P97.8Very high97.2Very high35 Ų3556.6 Ų56.623%0.22730%0.299CS..PPolyproline II helixtrans-66.4156.1168.733.1-37.5000109.9T34T34-P265 WeakPolarHBondContact O-CB 3.38Å
266L97.8Very high97.3Very high4 Ų464 Ų642%0.02133%0.327CS..PPolyproline II helixtrans-75.9138.6172-58.1-174.3000109.7I31 T35 I252 W261 M270 V274I31-L266 HydrophobicContact CD1-CD1 4.44Å; I31-L266 HydrophobicContact CG1-CD1 4.43Å; I31-L266 HydrophobicContact CG2-CD1 3.88Å; I31-L266 HydrophobicContact CG2-CG 4.49Å; T35-L266 PolarHBondContact OG1-O 2.96Å; I252-L266 HydrophobicContact CD1-CD1 4.29Å; I252-L266 HydrophobicContact CG2-CD1 3.91Å; I252-L266 HydrophobicContact CG2-CD2 4.07Å; W261-L266 HydrophobicContact CE3-CD2 4.16Å; W261-L266 HydrophobicContact CH2-CD2 4.34Å; W261-L266 HydrophobicContact CZ3-CD2 3.67Å; L266-M270 HydrophobicContact CD2-SD 3.94Å; L266-V274 HydrophobicContact CD1-CB 4.34Å; L266-V274 HydrophobicContact CD1-CG1 4.39Å; L266-V274 HydrophobicContact CD1-CG2 4.26Å
267P96.6Very high97.3Very high65 Ų6564.9 Ų64.942%0.42233%0.331SS..PPolyproline II helixtrans-51.6149.9164.9-26.235.9000111.3D269 M270 S271P267-D269 VanDerWaalsContact CB-OD1 3.27Å; P267-D269 WeakPolarHBondContact CB-OD1 3.14Å; P267-D269 PolarHBondContact O-N 2.82Å; P267-M270 HydrophobicContact CB-CB 4.31Å; P267-M270 PolarHBondContact O-N 2.87Å; P267-S271 WeakPolarHBondContact O-CB 3.29Å; P267-S271 PolarHBondContact O-N 3.41Å
268K95.4Very high97.2Very high147 Ų14761.9 Ų61.964%0.63932%0.315SS*.Hα-helixtrans-57.8-48.4-170.5-174.7178.8175.5-175.70112.7M270 S271 E272K268-M270 PolarHBondContact O-N 3.06Å; K268-S271 PolarHBondContact O-N 2.8Å; K268-S271 PolarHBondContact O-OG 2.92Å; K268-E272 WeakPolarHBondContact CE-OE1 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.4Å; K268-E272 PolarHBondContact O-N 3.44Å
269D95Very high97.2Very high115 Ų11560.4 Ų60.462%0.61531%0.31SS*.Hα-helixtrans-58.8-46176.561.5-36.7000112.6P267 E272 S273P267-D269 VanDerWaalsContact CB-OD1 3.27Å; P267-D269 WeakPolarHBondContact CB-OD1 3.14Å; P267-D269 PolarHBondContact O-N 2.82Å; D269-E272 PolarHBondContact O-N 3.15Å; D269-S273 PolarHBondContact O-N 3.14Å; D269-S273 VanDerWaalsContact O-N 3.16Å
270M96.6Very high97.2Very high54 Ų5461.5 Ų61.527%0.26633%0.325SS..Hα-helixtrans-63.2-43.2175.3-174.7-177.1-64.600111.1A254 W261 L266 P267 K268 E272 S273 V274A254-M270 HydrophobicContact CB-CE 4.29Å; A254-M270 HydrophobicContact CB-SD 4.06Å; W261-M270 HydrophobicContact CH2-CE 4.01Å; W261-M270 HydrophobicContact CH2-SD 3.78Å; W261-M270 HydrophobicContact CZ3-SD 4.43Å; L266-M270 HydrophobicContact CD2-SD 3.94Å; P267-M270 HydrophobicContact CB-CB 4.31Å; P267-M270 PolarHBondContact O-N 2.87Å; K268-M270 PolarHBondContact O-N 3.06Å; M270-E272 PolarHBondContact O-N 3.37Å; M270-S273 PolarHBondContact O-N 2.97Å; M270-V274 HydrophobicContact CG-CG2 4.35Å; M270-V274 WeakPolarHBondContact O-CB 3.27Å; M270-V274 VanDerWaalsContact O-CG2 3.29Å; M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 3.21Å
271S97Very high97.1Very high6 Ų665.1 Ų65.14%0.04233%0.326CS..Hα-helixtrans-61.7-42.9179.7810000111.7P267 K268 S273 V274 I275P267-S271 WeakPolarHBondContact O-CB 3.29Å; P267-S271 PolarHBondContact O-N 3.41Å; K268-S271 PolarHBondContact O-N 2.8Å; K268-S271 PolarHBondContact O-OG 2.92Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S271-S273 PolarHBondContact O-N 3.42Å; S271-V274 PolarHBondContact O-N 2.79Å; S271-I275 VanDerWaalsContact O-CB 3.28Å; S271-I275 WeakPolarHBondContact O-CB 3.46Å; S271-I275 WeakPolarHBondContact O-CD1 3.43Å; S271-I275 WeakPolarHBondContact O-CG1 3.36Å; S271-I275 PolarHBondContact O-N 2.8Å
272E97.1Very high97Very high90 Ų9065.2 Ų65.242%0.42133%0.33SS..Hα-helixtrans-66.3-36.8178.8-73.2172.2-172.300111.9K268 D269 M270 R276K268-E272 WeakPolarHBondContact CE-OE1 3.32Å; K268-E272 WeakPolarHBondContact O-CG 3.4Å; K268-E272 PolarHBondContact O-N 3.44Å; D269-E272 PolarHBondContact O-N 3.15Å; M270-E272 PolarHBondContact O-N 3.37Å; E272-R276 WeakPolarHBondContact O-CB 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.35Å; E272-R276 PolarHBondContact O-N 3.22Å; E272-R276 VanDerWaalsContact O-N 3.16Å; E272-R276 PolarHBondContact O-NE 3.01Å; E272-R276 VanDerWaalsContact O-NE 3.15Å
273S97.5Very high96.8Very high65 Ų6567.1 Ų67.146%0.45534%0.344SS..Hα-helixtrans-65.9-51.4174.3-171.20000111.4D269 M270 S271 I275 R276 E277D269-S273 PolarHBondContact O-N 3.14Å; D269-S273 VanDerWaalsContact O-N 3.16Å; M270-S273 PolarHBondContact O-N 2.97Å; S271-S273 VanDerWaalsContact C-N 3.35Å; S271-S273 PolarHBondContact O-N 3.42Å; S273-I275 VanDerWaalsContact C-N 3.35Å; S273-I275 PolarHBondContact O-N 2.92Å; S273-R276 PolarHBondContact O-N 3.49Å; S273-E277 PolarHBondContact O-N 2.92Å
274V98.1Very high96.5Very high8 Ų871.4 Ų71.45%0.04837%0.37CS..Hα-helixtrans-62.7-41.1-180171.80000111.3I31 I252 L266 M270 S271 E277 L278I31-V274 HydrophobicContact CD1-CG1 3.86Å; I252-V274 HydrophobicContact CB-CG1 4.48Å; I252-V274 HydrophobicContact CG1-CG1 4.15Å; I252-V274 HydrophobicContact CG2-CG1 4.37Å; I252-V274 HydrophobicContact CG2-CG2 4.19Å; L266-V274 HydrophobicContact CD1-CB 4.34Å; L266-V274 HydrophobicContact CD1-CG1 4.39Å; L266-V274 HydrophobicContact CD1-CG2 4.26Å; M270-V274 HydrophobicContact CG-CG2 4.35Å; M270-V274 WeakPolarHBondContact O-CB 3.27Å; M270-V274 VanDerWaalsContact O-CG2 3.29Å; M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 3.21Å; S271-V274 PolarHBondContact O-N 2.79Å; V274-E277 PolarHBondContact O-N 2.98Å; V274-L278 HydrophobicContact CG1-CD1 3.97Å; V274-L278 HydrophobicContact CG1-CG 4.37Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 3.48Å
275I98.4Very high96Very high18 Ų1867.9 Ų67.99%0.09236%0.358CS..Hα-helixtrans-62.9-43.8177-72.7164.8000110.8I28 I31 K32 S271 S273 E277 L278 Q279I28-I275 HydrophobicContact CG2-CG1 4.33Å; I28-I275 HydrophobicContact CG2-CG2 3.94Å; I31-I275 HydrophobicContact CG2-CD1 4.01Å; I31-I275 HydrophobicContact CG2-CG1 4.1Å; K32-I275 HydrophobicContact CG-CD1 3.62Å; S271-I275 VanDerWaalsContact O-CB 3.28Å; S271-I275 WeakPolarHBondContact O-CB 3.46Å; S271-I275 WeakPolarHBondContact O-CD1 3.43Å; S271-I275 WeakPolarHBondContact O-CG1 3.36Å; S271-I275 PolarHBondContact O-N 2.8Å; S273-I275 VanDerWaalsContact C-N 3.35Å; S273-I275 PolarHBondContact O-N 2.92Å; I275-E277 VanDerWaalsContact C-N 3.32Å; I275-E277 PolarHBondContact O-N 3.46Å; I275-L278 PolarHBondContact O-N 3.37Å; I275-Q279 HydrophobicContact CG2-CG 4.22Å; I275-Q279 WeakPolarHBondContact O-CB 3.34Å; I275-Q279 VanDerWaalsContact O-CG 3.22Å; I275-Q279 WeakPolarHBondContact O-CG 3.47Å; I275-Q279 PolarHBondContact O-N 3.35Å
276R98Very high95.4Very high158 Ų15873.6 Ų73.660%0.59639%0.387SS*.Hα-helixtrans-60.8-41.5176.6-80.1-178-74.9173.7-5.9112E272 S273 Q279 S280E272-R276 WeakPolarHBondContact O-CB 3.31Å; E272-R276 WeakPolarHBondContact O-CG 3.35Å; E272-R276 PolarHBondContact O-N 3.22Å; E272-R276 VanDerWaalsContact O-N 3.16Å; E272-R276 PolarHBondContact O-NE 3.01Å; E272-R276 VanDerWaalsContact O-NE 3.15Å; S273-R276 PolarHBondContact O-N 3.49Å; R276-Q279 PolarHBondContact O-N 2.93Å; R276-S280 PolarHBondContact O-N 3.49Å; R276-S280 VanDerWaalsContact O-N 3.08Å
277E97.4Very high95.1Very high67 Ų6777 Ų7731%0.31340%0.402SS..Hα-helixtrans-65.1-43.6175.4-169.6-169.3156.700112P253 S273 V274 I275 Q279 S280 R281P253-E277 WeakPolarHBondContact CG-OE2 3.43Å; S273-E277 PolarHBondContact O-N 2.92Å; V274-E277 PolarHBondContact O-N 2.98Å; I275-E277 VanDerWaalsContact C-N 3.32Å; I275-E277 PolarHBondContact O-N 3.46Å; E277-Q279 VanDerWaalsContact C-N 3.32Å; E277-Q279 PolarHBondContact O-N 3.32Å; E277-S280 PolarHBondContact O-N 2.78Å; E277-S280 PolarHBondContact O-OG 3.42Å; E277-R281 WeakPolarHBondContact O-CG 3.47Å; E277-R281 PolarHBondContact O-N 3.34Å; E277-R281 IonicContact OE1-CZ 2.83Å; E277-R281 IonicContact OE1-NE 3.58Å; E277-R281 IonicContact OE1-NH2 3.19Å; E277-R281 PolarHBondContact OE1-NH2 3.19Å
278L97.7Very high94.8Very high2 Ų283.3 Ų83.31%0.0142%0.417CS..Hα-helixtrans-64.2-39.3176.1-71.2172.1000111.5T24 R27 I28 I31 V274 I275 S280 R281T24-L278 HydrophobicContact CG2-CB 4.04Å; T24-L278 HydrophobicContact CG2-CD2 4.43Å; T24-L278 WeakPolarHBondContact CG2-O 3.25Å; R27-L278 HydrophobicContact CB-CD1 3.98Å; I28-L278 HydrophobicContact CD1-CB 3.9Å; I28-L278 HydrophobicContact CG1-CB 3.67Å; I28-L278 HydrophobicContact CG1-CD1 3.99Å; I31-L278 HydrophobicContact CD1-CD1 3.75Å; V274-L278 HydrophobicContact CG1-CD1 3.97Å; V274-L278 HydrophobicContact CG1-CG 4.37Å; V274-L278 WeakPolarHBondContact O-CG 3.4Å; V274-L278 PolarHBondContact O-N 3.48Å; I275-L278 PolarHBondContact O-N 3.37Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.1Å; L278-R281 WeakPolarHBondContact O-CB 2.95Å; L278-R281 PolarHBondContact O-N 3.32Å
279Q97.7Very high94.7Very high93 Ų9377.8 Ų77.844%0.43539%0.394SS..Hα-helixtrans-62.2-38.3176.5-75.8171.3-31.600112.1I28 I275 R276 E277 R281 I282I28-Q279 HydrophobicContact CD1-CG 3.74Å; I275-Q279 HydrophobicContact CG2-CG 4.22Å; I275-Q279 WeakPolarHBondContact O-CB 3.34Å; I275-Q279 VanDerWaalsContact O-CG 3.22Å; I275-Q279 WeakPolarHBondContact O-CG 3.47Å; I275-Q279 PolarHBondContact O-N 3.35Å; R276-Q279 PolarHBondContact O-N 2.93Å; E277-Q279 VanDerWaalsContact C-N 3.32Å; E277-Q279 PolarHBondContact O-N 3.32Å; Q279-R281 PolarHBondContact O-N 3.15Å; Q279-I282 WeakPolarHBondContact O-CB 3.37Å; Q279-I282 PolarHBondContact O-N 2.86Å; Q279-I282 VanDerWaalsContact O-N 3.13Å
280S97.1Very high94.5Very high97 Ų9779.9 Ų79.968%0.67840%0.395SS*.Hα-helixtrans-68.9-18.7178.474.70000113.6R276 E277 L278 I282R276-S280 PolarHBondContact O-N 3.49Å; R276-S280 VanDerWaalsContact O-N 3.08Å; E277-S280 PolarHBondContact O-N 2.78Å; E277-S280 PolarHBondContact O-OG 3.42Å; L278-S280 VanDerWaalsContact C-N 3.32Å; L278-S280 PolarHBondContact O-N 3.1Å; S280-I282 VanDerWaalsContact C-N 3.34Å
281R94.4Very high94.4Very high116 Ų11678.1 Ų78.144%0.43839%0.388SS..THydrogen-bonded Turntrans-81.1-12.1173.8-61.7174.2-173-160.61.5113.3E277 L278 Q279 V283E277-R281 WeakPolarHBondContact O-CG 3.47Å; E277-R281 PolarHBondContact O-N 3.34Å; E277-R281 IonicContact OE1-CZ 2.83Å; E277-R281 IonicContact OE1-NE 3.58Å; E277-R281 IonicContact OE1-NH2 3.19Å; E277-R281 PolarHBondContact OE1-NH2 3.19Å; L278-R281 WeakPolarHBondContact O-CB 2.95Å; L278-R281 PolarHBondContact O-N 3.32Å; Q279-R281 PolarHBondContact O-N 3.15Å; R281-V283 PolarHBondContact O-N 2.84Å
282I95.8Very high94.2Very high57 Ų5780.1 Ų80.129%0.29240%0.404SS..PPolyproline II helixtrans-73.5118.8176-62.2178000108.5N21 T24 R25 I28 Q279 S280N21-I282 HydrophobicContact CB-CG2 4.31Å; T24-I282 HydrophobicContact CG2-CD1 4.25Å; T24-I282 HydrophobicContact CG2-CG1 3.73Å; R25-I282 HydrophobicContact CG-CD1 4Å; I28-I282 HydrophobicContact CD1-CD1 4.15Å; Q279-I282 WeakPolarHBondContact O-CB 3.37Å; Q279-I282 PolarHBondContact O-N 2.86Å; Q279-I282 VanDerWaalsContact O-N 3.13Å; S280-I282 VanDerWaalsContact C-N 3.34Å
283V94.1Very high94.2Very high75 Ų7580 Ų8046%0.45541%0.411SS..PPolyproline II helixtrans-93.6140.8179.9-177.50000109.7Q17 N21 R281 C285Q17-V283 HydrophobicContact CG-CB 4.21Å; N21-V283 PolarHBondContact ND2-O 3.36Å; N21-V283 PolarHBondContact OD1-N 3.42Å; N21-V283 VanDerWaalsContact OD1-N 3.15Å; R281-V283 PolarHBondContact O-N 2.84Å; V283-C285 PolarHBondContact O-N 2.99Å; V283-C285 VanDerWaalsContact O-N 3.16Å
284S89.9Confident94.2Very high117 Ų11777.4 Ų77.482%0.81839%0.393SS*.PPolyproline II helixtrans-55.8122.5173.2-173.10000110.6
285C87.1Confident94.1Very high36 Ų3681 Ų8124%0.24341%0.412CS..  trans-145.7122.7-178.9-174.80000108.9Q14 V283 K287Q14-C285 PolarHBondContact O-SG 2.86Å; V283-C285 PolarHBondContact O-N 2.99Å; V283-C285 VanDerWaalsContact O-N 3.16Å; C285-K287 VanDerWaalsContact C-N 3.29Å; C285-K287 PolarHBondContact O-N 2.9Å
286N85.2Confident94Very high155 Ų15585.2 Ų85.283%0.82944%0.435SS*.  trans-81.6-9.1-178.4-66.2-21.3000113.1R288N286-R288 PolarHBondContact O-N 3.16Å
287K90.5Very high94Very high77 Ų7780.8 Ų80.834%0.33542%0.423SS..  trans-79.1116.4-179.4-168.6117.9177.9-1720109.8D12 Q14 T15 A18 C285 L289D12-K287 IonicContact OD2-NZ 3.7Å; D12-K287 PolarHBondContact OD2-NZ 3.3Å; Q14-K287 HydrophobicContact CB-CB 4.16Å; Q14-K287 HydrophobicContact CB-CD 4.2Å; T15-K287 WeakPolarHBondContact OG1-CE 3.45Å; T15-K287 PolarHBondContact OG1-NZ 3.12Å; A18-K287 HydrophobicContact CB-CB 4.42Å; C285-K287 VanDerWaalsContact C-N 3.29Å; C285-K287 PolarHBondContact O-N 2.9Å; K287-L289 HydrophobicContact CG-CD2 3.99Å
288R89.9Confident93.9Very high197 Ų19778.6 Ų78.674%0.74341%0.414SS*.  trans-93.5135.3166.5-65.7-174.1-179-174.3-1109N286 Y290N286-R288 PolarHBondContact O-N 3.16Å; R288-Y290 HydrophobicContact CB-CD2 4.47Å; R288-Y290 HydrophobicContact CB-CE2 3.68Å; R288-Y290 WeakPolarHBondContact CD-OH 3.3Å
289L94.1Very high93.5Very high30 Ų3082.1 Ų82.116%0.15744%0.439CS..  trans-107.6133.8177.2-60.8-179.9000108.8T15 A18 L19 I22 F57 K287T15-L289 HydrophobicContact CG2-CD1 4.29Å; T15-L289 HydrophobicContact CG2-CD2 4.15Å; A18-L289 HydrophobicContact CB-CD1 3.79Å; A18-L289 HydrophobicContact CB-CG 3.97Å; L19-L289 HydrophobicContact CD2-CD1 3.62Å; L19-L289 HydrophobicContact CG-CD1 3.63Å; I22-L289 HydrophobicContact CD1-CB 4.3Å; I22-L289 HydrophobicContact CD1-CD1 4.17Å; F57-L289 HydrophobicContact CB-CB 4.15Å; F57-L289 HydrophobicContact CB-CD1 4.44Å; K287-L289 HydrophobicContact CG-CD2 3.99Å
290Y91.8Very high93.1Very high160 Ų16083.5 Ų83.563%0.62746%0.458SS*.  trans-126.9145175.2-62.9-82000107.6R288R288-Y290 HydrophobicContact CB-CD2 4.47Å; R288-Y290 HydrophobicContact CB-CE2 3.68Å; R288-Y290 WeakPolarHBondContact CD-OH 3.3Å
291P92.9Very high92.7Very high17 Ų1780.5 Ų80.511%0.1144%0.436CS..PPolyproline II helixtrans-62141.7174.625.9-32.3000110.2Y62 P64Y62-P291 HydrophobicContact CD1-CB 3.83Å; Y62-P291 HydrophobicContact CD2-CB 4.5Å; Y62-P291 HydrophobicContact CD2-CG 4.45Å; Y62-P291 HydrophobicContact CE1-CB 3.34Å; Y62-P291 HydrophobicContact CE1-CG 4.03Å; Y62-P291 HydrophobicContact CE2-CB 4.08Å; Y62-P291 HydrophobicContact CE2-CG 3.86Å; Y62-P291 HydrophobicContact CG-CB 4.38Å; Y62-P291 VanDerWaalsContact CZ-CB 3.46Å; P64-P291 HydrophobicContact CG-CG 3.44Å; P64-P291 VanDerWaalsContact CG-CG 3.44Å
292A94.7Very high92.2Very high48 Ų4878.4 Ų78.440%0.39744%0.439SS..BIsolated β-bridgetrans-70144.3172.900000109.7K61 Y62K61-A292 CarbonylContact C-O 3.58Å; K61-A292 WeakPolarHBondContact CA-O 3.2Å; K61-A292 HydrophobicContact CG-CB 4.23Å; Y62-A292 PolarHBondContact N-O 3.35Å
293P96.3Very high91.7Very high87 Ų8778.2 Ų78.257%0.56544%0.438SS*.PPolyproline II helixtrans-66.5148.7173.628.5-34.1000110.7
294P97.4Very high90.9Very high10 Ų1084.4 Ų84.47%0.06545%0.454CS..PPolyproline II helixtrans-73163.9173.434.1-35.9000111.3K61 R63 N71K61-P294 HydrophobicContact CB-CB 4.28Å; R63-P294 HydrophobicContact CG-CG 4.25Å; N71-P294 HydrophobicContact CB-CB 3.91Å; N71-P294 HydrophobicContact CB-CG 3.78Å; N71-P294 WeakPolarHBondContact O-CB 3.38Å
295N96.8Very high90.1Very high83 Ų8385.5 Ų85.544%0.44445%0.45SS..PPolyproline II helixtrans-74136.2167.5-62.2-32.8000109.2N71 S150 D297N71-N295 VanDerWaalsContact CB-O 3.3Å; N71-N295 WeakPolarHBondContact CB-O 3.26Å; N71-N295 PolarHBondContact OD1-O 2.76Å; S150-N295 WeakPolarHBondContact OG-CB 3.3Å; S150-N295 PolarHBondContact OG-ND2 2.9Å; S150-N295 VanDerWaalsContact OG-ND2 3.12Å; N295-D297 VanDerWaalsContact C-N 3.3Å; N295-D297 PolarHBondContact O-N 3.33Å
296D96.3Very high90.1Very high108 Ų10884 Ų8458%0.57844%0.44SS*.SBendtrans-84.770.5178.3-65.8-43.6000111.5R63 N71R63-D296 IonicContact CZ-OD1 2.88Å; R63-D296 IonicContact NE-OD1 2.84Å; R63-D296 IonicContact NH2-OD1 2.57Å; R63-D296 PolarHBondContact NH2-OD1 2.99Å; R63-D296 IonicContact NH2-OD2 3.7Å; R63-D296 PolarHBondContact NH2-OD2 3.34Å; N71-D296 PolarHBondContact ND2-OD1 3.06Å
297D97.1Very high90.3Very high65 Ų6585 Ų8535%0.34843%0.432SS..  trans-121.61.3-173.866.18.4000115.3N71 A149 S150 N295N71-D297 PolarHBondContact OD1-N 3.19Å; A149-D297 WeakPolarHBondContact CB-OD1 3.39Å; S150-D297 WeakPolarHBondContact CB-OD2 3.38Å; S150-D297 PolarHBondContact N-OD1 2.63Å; S150-D297 PolarHBondContact N-OD2 3.38Å; S150-D297 PolarHBondContact OG-OD1 2.88Å; S150-D297 PolarHBondContact OG-OD2 3.33Å; N295-D297 VanDerWaalsContact C-N 3.3Å; N295-D297 PolarHBondContact O-N 3.33Å
298T95.1Very high90.4Very high21 Ų2182.2 Ų82.213%0.12942%0.42CS..SBendtrans-75134167.150.70000111.8P70 N71 D147 A149 Y151P70-T298 WeakPolarHBondContact CB-OG1 3.5Å; P70-T298 WeakPolarHBondContact O-CG2 3.35Å; P70-T298 PolarHBondContact O-OG1 3Å; N71-T298 VanDerWaalsContact CG-OG1 3.31Å; N71-T298 WeakPolarHBondContact OD1-CB 3.47Å; N71-T298 PolarHBondContact OD1-N 3.16Å; N71-T298 PolarHBondContact OD1-OG1 3.44Å; D147-T298 HydrophobicContact CB-CG2 4.32Å; A149-T298 HydrophobicContact CB-CG2 3.33Å; Y151-T298 HydrophobicContact CD1-CG2 3.87Å; Y151-T298 HydrophobicContact CE1-CG2 3.89Å
299S90.5Very high90.3Very high75 Ų7575.3 Ų75.352%0.52440%0.401SS..PPolyproline II helixtrans-65.8144.4173.1-66.20000111.6R386S299-R386 PolarHBondContact O-NH1 3.32Å; S299-R386 PolarHBondContact O-NH2 3.16Å
300S88.6Confident90.3Very high122 Ų12277.2 Ų77.285%0.85342%0.417SS*.PPolyproline II helixtrans-61138.8167.4173.50000110.4
301V89Confident90.3Very high35 Ų3571.5 Ų71.521%0.21240%0.403CS..  trans-130.8141.5-178.1-178.90000109.6L303 R339V301-L303 HydrophobicContact CG1-CD2 4.04Å; V301-R339 HydrophobicContact CG1-CG 3.91Å; V301-R339 VanDerWaalsContact CG2-CZ 3.41Å; V301-R339 VanDerWaalsContact CG2-NH1 3.25Å
302S83.5Confident90.3Very high72 Ų7271 Ų7150%0.50340%0.4SS..  trans-130.1123.6170.7174.40000109.5R304S302-R304 VanDerWaalsContact C-N 3.27Å; S302-R304 WeakPolarHBondContact OG-CB 3.47Å; S302-R304 PolarHBondContact OG-N 2.99Å
303L84.3Confident90.3Very high52 Ų5275.7 Ų75.727%0.27242%0.418SS..  trans-92.115.2169.9-54-171.5000112.1V301 I306 R339 D385 V388V301-L303 HydrophobicContact CG1-CD2 4.04Å; L303-I306 HydrophobicContact CB-CD1 4.49Å; L303-R339 HydrophobicContact CD2-CB 3.87Å; L303-R339 HydrophobicContact CD2-CG 3.98Å; L303-D385 HydrophobicContact CD1-CB 3.7Å; L303-D385 HydrophobicContact CG-CB 4.3Å; L303-V388 HydrophobicContact CD1-CG2 4.17Å; L303-V388 HydrophobicContact CD2-CG2 3.8Å; L303-V388 HydrophobicContact CG-CG2 4.42Å
304R77.3Confident90.3Very high206 Ų20672.5 Ų72.578%0.77740%0.395SS*.THydrogen-bonded Turntrans-79.7147.5176.4-58.7-177.8179.8-178.80.6110.2S302S302-R304 VanDerWaalsContact C-N 3.27Å; S302-R304 WeakPolarHBondContact OG-CB 3.47Å; S302-R304 PolarHBondContact OG-N 2.99Å
305N74.9Confident90.1Very high139 Ų13978.9 Ų78.974%0.74342%0.422SS*.THydrogen-bonded Turntrans65.432.6172.5-53.8-32.9000116R307N305-R307 PolarHBondContact O-N 3.15Å; N305-R307 VanDerWaalsContact O-N 3.17Å
306I86.6Confident90Very high4 Ų478.5 Ų78.52%0.02142%0.424CS..  trans-68.7113.6170.3-43.9-170.2000108.4L303 L333 N337 V388 A467 I468L303-I306 HydrophobicContact CB-CD1 4.49Å; I306-L333 HydrophobicContact CG2-CD1 3.93Å; I306-L333 HydrophobicContact CG2-CD2 4.47Å; I306-N337 WeakPolarHBondContact CG1-ND2 3.42Å; I306-N337 HydrophobicContact CG2-CB 4.49Å; I306-V388 HydrophobicContact CD1-CB 4.23Å; I306-V388 HydrophobicContact CD1-CG1 4.37Å; I306-V388 HydrophobicContact CD1-CG2 3.2Å; I306-A467 HydrophobicContact CG2-CB 3.89Å; I306-I468 HydrophobicContact CB-CG2 3.74Å; I306-I468 HydrophobicContact CG1-CG2 4.44Å; I306-I468 VanDerWaalsContact O-CG2 3.26Å; I306-I468 WeakPolarHBondContact O-CG2 3.16Å
307R89Confident89.9Confident176 Ų17675.8 Ų75.866%0.66442%0.421SS*.  trans-144.9152.6-179.1-65.7-173-179.7-171.3-0.7109.9N305N305-R307 PolarHBondContact O-N 3.15Å; N305-R307 VanDerWaalsContact O-N 3.17Å
308M92.1Very high89.8Confident19 Ų1976 Ų769%0.09442%0.423CS..  trans-66.1143.6168.3-70.4-68.1-177.400109.7S310 A329 K332 L333 E460 V463 E464M308-S310 PolarHBondContact O-N 3.22Å; M308-A329 HydrophobicContact CE-CB 4.15Å; M308-K332 HydrophobicContact SD-CD 4.2Å; M308-K332 HydrophobicContact SD-CG 4.22Å; M308-L333 HydrophobicContact CE-CB 3.93Å; M308-L333 HydrophobicContact CE-CD1 4.2Å; M308-L333 HydrophobicContact CE-CG 4.48Å; M308-L333 HydrophobicContact SD-CB 4.03Å; M308-L333 HydrophobicContact SD-CD1 3.97Å; M308-E460 HydrophobicContact CE-CG 3.94Å; M308-E460 HydrophobicContact SD-CG 4.45Å; M308-V463 HydrophobicContact CE-CB 4.24Å; M308-V463 HydrophobicContact CE-CG1 3.91Å; M308-E464 HydrophobicContact CE-CB 4.19Å; M308-E464 HydrophobicContact CG-CB 3.83Å; M308-E464 HydrophobicContact CG-CG 3.99Å; M308-E464 PolarHBondContact N-OE1 3.17Å
309P88.5Confident90Very high52 Ų5281.8 Ų81.834%0.33845%0.446SS..SBendtrans-69.7-21.1-178.433.2-44.3000114.1K332 Y336P309-K332 HydrophobicContact CG-CD 4.36Å; P309-K332 VanDerWaalsContact CG-CE 3.48Å; P309-K332 HydrophobicContact CG-CG 3.96Å; P309-Y336 HydrophobicContact CB-CD1 3.75Å; P309-Y336 HydrophobicContact CB-CD2 3.49Å; P309-Y336 VanDerWaalsContact CB-CD2 3.49Å; P309-Y336 HydrophobicContact CB-CE1 3.49Å; P309-Y336 VanDerWaalsContact CB-CE1 3.49Å; P309-Y336 HydrophobicContact CB-CE2 3.3Å; P309-Y336 HydrophobicContact CB-CG 3.72Å; P309-Y336 HydrophobicContact CG-CD2 3.43Å; P309-Y336 VanDerWaalsContact CG-CD2 3.43Å; P309-Y336 HydrophobicContact CG-CE1 4.35Å; P309-Y336 HydrophobicContact CG-CE2 3.18Å; P309-Y336 HydrophobicContact CG-CG 4.15Å
310S92.9Very high90.4Very high70 Ų7078.9 Ų78.949%0.4942%0.424SS..SBendtrans-160162-172.974.70000108.7M308 K332M308-S310 PolarHBondContact O-N 3.22Å; S310-K332 PolarHBondContact O-NZ 3.33Å; S310-K332 WeakPolarHBondContact OG-CE 3.34Å; S310-K332 PolarHBondContact OG-NZ 2.9Å
311A92.4Very high90.8Very high41 Ų4173.3 Ų73.334%0.33939%0.385SS..  trans-57.1156.3169.600000111.9K332A311-K332 PolarHBondContact O-NZ 2.86Å
312P93.8Very high91.3Very high6 Ų671.6 Ų71.64%0.03938%0.375CS..  trans-51.4144.2168.6-26.633.4000112.3Y314 V457 E460 C488P312-Y314 HydrophobicContact CB-CD2 3.7Å; P312-Y314 HydrophobicContact CB-CE2 3.98Å; P312-V457 HydrophobicContact CB-CG2 4.36Å; P312-V457 HydrophobicContact CG-CG1 4.28Å; P312-E460 WeakPolarHBondContact CA-OE1 3.23Å; P312-E460 HydrophobicContact CB-CB 4.47Å; P312-E460 HydrophobicContact CG-CB 4.11Å; P312-E460 HydrophobicContact CG-CG 4.15Å; P312-C488 WeakPolarHBondContact CD-O 3.34Å; P312-C488 WeakPolarHBondContact O-CB 3.5Å
313N94.1Very high92Very high147 Ų14770.1 Ų70.179%0.78636%0.358SS*.  trans-11059-179.5-170.529.9000111.3
314Y95.7Very high92.7Very high20 Ų2071.6 Ų71.68%0.07836%0.363CS..  trans-118.4149.2175.6-54.1-74.1000109.7P312 I320 M328 G456 V457 E460P312-Y314 HydrophobicContact CB-CD2 3.7Å; P312-Y314 HydrophobicContact CB-CE2 3.98Å; Y314-I320 HydrophobicContact CD1-CD1 4.45Å; Y314-I320 HydrophobicContact CE1-CD1 3.62Å; Y314-I320 HydrophobicContact CE1-CG2 4.48Å; Y314-M328 HydrophobicContact CE1-CE 4.29Å; Y314-G456 VanDerWaalsContact CE2-C 3.49Å; Y314-G456 VanDerWaalsContact CE2-O 3.32Å; Y314-G456 WeakPolarHBondContact CE2-O 3.49Å; Y314-V457 HydrophobicContact CD2-CG2 3.86Å; Y314-V457 HydrophobicContact CG-CG2 4.33Å; Y314-E460 HydrophobicContact CE2-CB 4.48Å
315K93.7Very high93.8Very high143 Ų14361.8 Ų61.862%0.62233%0.326SS*.  trans-110140.7174.2-59.5176.7-176176.40110.2G317 D318 V484K315-G317 PolarHBondContact O-N 3.19Å; K315-D318 WeakPolarHBondContact CB-OD2 3.21Å; K315-D318 PolarHBondContact N-OD2 2.75Å; K315-D318 VanDerWaalsContact O-CB 3.24Å; K315-D318 WeakPolarHBondContact O-CB 3.44Å; K315-D318 VanDerWaalsContact O-CG 3.29Å; K315-D318 PolarHBondContact O-N 3.49Å; K315-V484 WeakPolarHBondContact O-CB 3.44Å
316P95.1Very high94.9Very high76 Ų7655.1 Ų55.149%0.49429%0.29SS..THydrogen-bonded Turntrans-51.8130.9171.2-27.735.4000111.5V484P316-V484 CarbonylContact C-O 3.23Å; P316-V484 WeakPolarHBondContact CA-O 3.32Å
317G93.1Very high95.5Very high50 Ų5055 Ų5552%0.51529%0.289SS..THydrogen-bonded Turntrans91.7-14.4-174.700000115.5K315 V484K315-G317 PolarHBondContact O-N 3.19Å; G317-V484 PolarHBondContact N-O 3.42Å
318D96.6Very high95.9Very high71 Ų7150.2 Ų50.238%0.3828%0.276SS..  trans-59.1151.2168.1-71.9-17.6000109.9K315 N483 V484K315-D318 WeakPolarHBondContact CB-OD2 3.21Å; K315-D318 PolarHBondContact N-OD2 2.75Å; K315-D318 VanDerWaalsContact O-CB 3.24Å; K315-D318 WeakPolarHBondContact O-CB 3.44Å; K315-D318 VanDerWaalsContact O-CG 3.29Å; K315-D318 PolarHBondContact O-N 3.49Å; D318-N483 CarbonylContact O-C 3.53Å; D318-N483 WeakPolarHBondContact O-CA 3.48Å; D318-V484 HydrophobicContact CB-CB 4.43Å; D318-V484 HydrophobicContact CB-CG2 4.06Å; D318-V484 PolarHBondContact O-N 2.93Å
319K98Very high96.3Very high142 Ų14249.3 Ų49.362%0.61727%0.271SS*.EExtended strand (participates in β ladder)trans-108.5127175.9-70.7-172.2178.1-174.10111E481 N482 N483K319-E481 HydrophobicContact CB-CB 4.3Å; K319-N482 WeakPolarHBondContact CA-O 3.29Å; K319-N483 VanDerWaalsContact CE-OD1 3.28Å; K319-N483 WeakPolarHBondContact CE-OD1 3.47Å; K319-N483 WeakPolarHBondContact CG-OD1 3.4Å
320I98.4Very high96.7Very high14 Ų1446.9 Ų46.97%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-153.2143.4174.6-167.7167.9000110.6Y314 K324 A325 M328 N482 V484Y314-I320 HydrophobicContact CD1-CD1 4.45Å; Y314-I320 HydrophobicContact CE1-CD1 3.62Å; Y314-I320 HydrophobicContact CE1-CG2 4.48Å; I320-K324 HydrophobicContact CD1-CG 4.42Å; I320-K324 HydrophobicContact CG1-CB 4.27Å; I320-K324 HydrophobicContact CG1-CD 4.41Å; I320-K324 HydrophobicContact CG1-CG 4.49Å; I320-A325 HydrophobicContact CD1-CB 4.06Å; I320-A325 HydrophobicContact CG1-CB 4.5Å; I320-M328 HydrophobicContact CD1-SD 3.84Å; I320-N482 PolarHBondContact N-O 3.26Å; I320-N482 PolarHBondContact O-N 3.34Å; I320-N482 VanDerWaalsContact O-N 3.1Å; I320-V484 HydrophobicContact CG2-CG2 3.94Å
321A98.7Very high97Very high4 Ų443.6 Ų43.63%0.03323%0.233CC..  trans-79.3136.6169.500000110.1R323 K324 A325 R479 P480 E481A321-R323 HydrophobicContact CB-CG 3.98Å; A321-R323 PolarHBondContact O-N 2.84Å; A321-K324 WeakPolarHBondContact O-CB 3.15Å; A321-K324 PolarHBondContact O-N 2.6Å; A321-A325 PolarHBondContact O-N 3.49Å; A321-R479 WeakPolarHBondContact CB-O 3.45Å; A321-P480 VanDerWaalsContact CA-O 3.3Å; A321-P480 WeakPolarHBondContact CA-O 3.41Å; A321-P480 VanDerWaalsContact CB-O 3.29Å; A321-P480 WeakPolarHBondContact CB-O 3.22Å; A321-E481 HydrophobicContact CB-CG 4.24Å
322T98.9Very high97.2Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-62.2-30.2-178.555.10000112.2K324 A325 Y326 T459 S478T322-K324 VanDerWaalsContact C-N 3.29Å; T322-K324 PolarHBondContact O-N 2.7Å; T322-A325 PolarHBondContact O-N 2.78Å; T322-Y326 WeakPolarHBondContact O-CB 3.39Å; T322-Y326 PolarHBondContact O-N 3.2Å; T322-T459 VanDerWaalsContact CB-OG1 3.27Å; T322-T459 WeakPolarHBondContact CB-OG1 3.34Å; T322-T459 WeakPolarHBondContact CG2-OG1 3.4Å; T322-T459 WeakPolarHBondContact O-CG2 3.47Å; T322-S478 PolarHBondContact OG1-N 3.47Å
323R98.8Very high97.4Very high40 Ų4042.4 Ų42.415%0.15122%0.219CC..Hα-helixtrans-60.5-35.7171.464-178.5179.1154.56.8113.3A321 Y326 G327 S350 T351 F352 H421 S478 R479A321-R323 HydrophobicContact CB-CG 3.98Å; A321-R323 PolarHBondContact O-N 2.84Å; R323-Y326 WeakPolarHBondContact O-CB 3.47Å; R323-G327 PolarHBondContact O-N 3.24Å; R323-S350 WeakPolarHBondContact CD-O 3.29Å; R323-T351 VanDerWaalsContact O-O 3.11Å; R323-F352 HydrophobicContact CB-CD2 4.3Å; R323-F352 HydrophobicContact CG-CD2 3.87Å; R323-F352 HydrophobicContact CG-CE2 3.78Å; R323-H421 PolarHBondContact NH1-CE1 3.05Å; R323-H421 PolarHBondContact NH1-NE2 2.96Å; R323-S478 WeakPolarHBondContact CG-O 3.03Å; R323-R479 PolarHBondContact NE-O 3.22Å
324K98.8Very high97.5Very high83 Ų8335.5 Ų35.536%0.36118%0.182SC..Hα-helixtrans-75.4-41.8177-175.9176.7178-178.50111I320 A321 T322 Y326 G327 M328 F352I320-K324 HydrophobicContact CD1-CG 4.42Å; I320-K324 HydrophobicContact CG1-CB 4.27Å; I320-K324 HydrophobicContact CG1-CD 4.41Å; I320-K324 HydrophobicContact CG1-CG 4.49Å; A321-K324 WeakPolarHBondContact O-CB 3.15Å; A321-K324 PolarHBondContact O-N 2.6Å; T322-K324 VanDerWaalsContact C-N 3.29Å; T322-K324 PolarHBondContact O-N 2.7Å; K324-Y326 PolarHBondContact O-N 3.17Å; K324-G327 PolarHBondContact O-N 3.09Å; K324-M328 HydrophobicContact CG-SD 4.29Å; K324-M328 WeakPolarHBondContact O-CG 3.12Å; K324-M328 PolarHBondContact O-N 3.4Å; K324-F352 HydrophobicContact CB-CD1 4.25Å; K324-F352 HydrophobicContact CB-CD2 3.93Å; K324-F352 HydrophobicContact CB-CE1 4.26Å; K324-F352 HydrophobicContact CB-CE2 3.95Å; K324-F352 HydrophobicContact CB-CG 4.08Å; K324-F352 HydrophobicContact CB-CZ 4.11Å; K324-F352 HydrophobicContact CD-CE1 4.2Å; K324-F352 HydrophobicContact CD-CZ 4.42Å; K324-F352 HydrophobicContact CG-CD1 3.97Å; K324-F352 HydrophobicContact CG-CE1 4Å; K324-F352 HydrophobicContact CG-CG 4.24Å; K324-F352 HydrophobicContact CG-CZ 4.3Å
325A98.8Very high97.4Very high0 Ų041.2 Ų41.20%020%0.204CC..Hα-helixtrans-59.1-36.1173.700000111.8I320 A321 T322 M328 A329 T459I320-A325 HydrophobicContact CD1-CB 4.06Å; I320-A325 HydrophobicContact CG1-CB 4.5Å; A321-A325 PolarHBondContact O-N 3.49Å; T322-A325 PolarHBondContact O-N 2.78Å; A325-M328 PolarHBondContact O-N 2.89Å; A325-A329 VanDerWaalsContact O-CB 3.23Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 3.28Å; A325-T459 HydrophobicContact CB-CG2 4Å
326Y98.9Very high97.2Very high0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-59.7-52.3173.1166.2-104.6000112.2T322 R323 K324 M328 A329 L330 F390 S392 C418 V463 I475T322-Y326 WeakPolarHBondContact O-CB 3.39Å; T322-Y326 PolarHBondContact O-N 3.2Å; R323-Y326 WeakPolarHBondContact O-CB 3.47Å; K324-Y326 PolarHBondContact O-N 3.17Å; Y326-M328 VanDerWaalsContact C-N 3.31Å; Y326-M328 PolarHBondContact O-N 3.15Å; Y326-A329 PolarHBondContact O-N 3.1Å; Y326-L330 HydrophobicContact CD1-CD1 4.21Å; Y326-L330 HydrophobicContact CD2-CD1 4.44Å; Y326-L330 HydrophobicContact CD2-CG 4.19Å; Y326-L330 HydrophobicContact CE1-CD1 3.48Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.48Å; Y326-L330 HydrophobicContact CE1-CG 4.24Å; Y326-L330 HydrophobicContact CE2-CD1 3.74Å; Y326-L330 HydrophobicContact CE2-CD2 3.99Å; Y326-L330 HydrophobicContact CE2-CG 3.71Å; Y326-L330 PolarHBondContact O-N 2.84Å; Y326-L330 WeakPolarHBondContact OH-CD1 3.27Å; Y326-F390 HydrophobicContact CE2-CD1 4.29Å; Y326-S392 WeakPolarHBondContact CE1-OG 3.46Å; Y326-S392 PolarHBondContact OH-OG 2.84Å; Y326-C418 HydrophobicContact CD1-CB 4.16Å; Y326-C418 VanDerWaalsContact CD1-SG 3.55Å; Y326-C418 HydrophobicContact CD2-CB 3.99Å; Y326-C418 HydrophobicContact CE1-CB 3.58Å; Y326-C418 VanDerWaalsContact CE1-SG 3.6Å; Y326-C418 HydrophobicContact CE2-CB 3.42Å; Y326-C418 VanDerWaalsContact CE2-CB 3.42Å; Y326-C418 HydrophobicContact CG-CB 4.32Å; Y326-C418 VanDerWaalsContact CG-SG 3.6Å; Y326-C418 VanDerWaalsContact OH-CB 3.25Å; Y326-C418 WeakPolarHBondContact OH-CB 3.29Å; Y326-V463 HydrophobicContact CD2-CG2 3.6Å; Y326-V463 HydrophobicContact CE2-CG2 4.09Å; Y326-I475 HydrophobicContact CE2-CD1 4.49Å
327G98.8Very high97Very high0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-58.3-4217700000113R323 K324 L330 A331 F352R323-G327 PolarHBondContact O-N 3.24Å; K324-G327 PolarHBondContact O-N 3.09Å; G327-L330 PolarHBondContact O-N 2.7Å; G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 3.05Å; G327-F352 VanDerWaalsContact CA-O 3.23Å; G327-F352 WeakPolarHBondContact CA-O 3.42Å
328M98.7Very high97Very high77 Ų7744.3 Ų44.338%0.37920%0.196SC..Hα-helixtrans-63.9-43.4175.5-68.917459.400112.2Y314 I320 K324 A325 Y326 A331 K332 L355Y314-M328 HydrophobicContact CE1-CE 4.29Å; I320-M328 HydrophobicContact CD1-SD 3.84Å; K324-M328 HydrophobicContact CG-SD 4.29Å; K324-M328 WeakPolarHBondContact O-CG 3.12Å; K324-M328 PolarHBondContact O-N 3.4Å; A325-M328 PolarHBondContact O-N 2.89Å; Y326-M328 VanDerWaalsContact C-N 3.31Å; Y326-M328 PolarHBondContact O-N 3.15Å; M328-A331 PolarHBondContact O-N 3.42Å; M328-K332 WeakPolarHBondContact O-CB 3.12Å; M328-K332 PolarHBondContact O-N 2.86Å; M328-L355 HydrophobicContact CG-CD1 3.73Å
329A98.7Very high96.8Very high0 Ų042.9 Ų42.90%019%0.185CC..Hα-helixtrans-65.9-41.4178.300000112M308 A325 Y326 K332 L333 E460 V463M308-A329 HydrophobicContact CE-CB 4.15Å; A325-A329 VanDerWaalsContact O-CB 3.23Å; A325-A329 WeakPolarHBondContact O-CB 3.47Å; A325-A329 PolarHBondContact O-N 3.28Å; Y326-A329 PolarHBondContact O-N 3.1Å; A329-K332 PolarHBondContact O-N 2.9Å; A329-L333 WeakPolarHBondContact O-CB 3.44Å; A329-L333 PolarHBondContact O-N 3.24Å; A329-E460 HydrophobicContact CB-CB 4.03Å; A329-E460 HydrophobicContact CB-CG 3.83Å; A329-V463 HydrophobicContact CB-CB 4.04Å; A329-V463 HydrophobicContact CB-CG1 4.2Å; A329-V463 HydrophobicContact CB-CG2 3.96Å
330L98.4Very high96.8Very high0 Ų036.1 Ų36.10%016%0.156CC..Hα-helixtrans-60.1-51.6173.7-78.1-175.1000111.7Y326 G327 K332 L333 G334 V342 F356 F390 V463Y326-L330 HydrophobicContact CD1-CD1 4.21Å; Y326-L330 HydrophobicContact CD2-CD1 4.44Å; Y326-L330 HydrophobicContact CD2-CG 4.19Å; Y326-L330 HydrophobicContact CE1-CD1 3.48Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.48Å; Y326-L330 HydrophobicContact CE1-CG 4.24Å; Y326-L330 HydrophobicContact CE2-CD1 3.74Å; Y326-L330 HydrophobicContact CE2-CD2 3.99Å; Y326-L330 HydrophobicContact CE2-CG 3.71Å; Y326-L330 PolarHBondContact O-N 2.84Å; Y326-L330 WeakPolarHBondContact OH-CD1 3.27Å; G327-L330 PolarHBondContact O-N 2.7Å; L330-K332 VanDerWaalsContact C-N 3.26Å; L330-K332 PolarHBondContact O-N 3.17Å; L330-L333 PolarHBondContact O-N 2.96Å; L330-G334 PolarHBondContact O-N 2.94Å; L330-V342 HydrophobicContact CD1-CG1 4.08Å; L330-V342 HydrophobicContact CD1-CG2 3.97Å; L330-V342 HydrophobicContact CD2-CG2 4.39Å; L330-F356 HydrophobicContact CB-CB 4.31Å; L330-F356 HydrophobicContact CB-CD2 4.19Å; L330-F356 WeakPolarHBondContact O-CD2 3.37Å; L330-F390 HydrophobicContact CD2-CB 3.98Å; L330-F390 HydrophobicContact CD2-CD1 3.68Å; L330-F390 HydrophobicContact CD2-CD2 3.84Å; L330-F390 HydrophobicContact CD2-CE1 4.07Å; L330-F390 HydrophobicContact CD2-CE2 4.21Å; L330-F390 HydrophobicContact CD2-CG 3.55Å; L330-F390 HydrophobicContact CD2-CZ 4.32Å; L330-V463 HydrophobicContact CD2-CG1 4.02Å
331A98.2Very high96.8Very high2 Ų235.5 Ų35.52%0.01715%0.153CC..Hα-helixtrans-57.5-44.2179.900000110.8G327 M328 G334 R335 L355 H360G327-A331 WeakPolarHBondContact O-CB 3.46Å; G327-A331 PolarHBondContact O-N 3.05Å; M328-A331 PolarHBondContact O-N 3.42Å; A331-G334 PolarHBondContact O-N 2.99Å; A331-R335 WeakPolarHBondContact O-CG 3.27Å; A331-R335 PolarHBondContact O-N 3.28Å; A331-L355 HydrophobicContact CB-CB 4.4Å; A331-H360 PolarHBondContact O-NE2 3.11Å; A331-H360 VanDerWaalsContact O-NE2 3.12Å
332K97.9Very high96.8Very high22 Ų2235.3 Ų35.310%0.09615%0.151CC..Hα-helixtrans-59.5-50.4174.3-176178.9176.8-1750112.1M308 P309 S310 A311 M328 A329 L330 G334 R335 Y336 E460M308-K332 HydrophobicContact SD-CD 4.2Å; M308-K332 HydrophobicContact SD-CG 4.22Å; P309-K332 HydrophobicContact CG-CD 4.36Å; P309-K332 VanDerWaalsContact CG-CE 3.48Å; P309-K332 HydrophobicContact CG-CG 3.96Å; S310-K332 PolarHBondContact O-NZ 3.33Å; S310-K332 WeakPolarHBondContact OG-CE 3.34Å; S310-K332 PolarHBondContact OG-NZ 2.9Å; A311-K332 PolarHBondContact O-NZ 2.86Å; M328-K332 WeakPolarHBondContact O-CB 3.12Å; M328-K332 PolarHBondContact O-N 2.86Å; A329-K332 PolarHBondContact O-N 2.9Å; L330-K332 VanDerWaalsContact C-N 3.26Å; L330-K332 PolarHBondContact O-N 3.17Å; K332-G334 VanDerWaalsContact C-N 3.29Å; K332-G334 PolarHBondContact O-N 2.7Å; K332-R335 WeakPolarHBondContact O-CB 3.47Å; K332-R335 PolarHBondContact O-N 3.38Å; K332-Y336 VanDerWaalsContact O-CD2 3.32Å; K332-Y336 WeakPolarHBondContact O-CD2 3.42Å; K332-E460 IonicContact NZ-OE1 2.65Å; K332-E460 PolarHBondContact NZ-OE1 3.06Å
333L96.9Very high96.8Very high0 Ų035.3 Ų35.30%015%0.151CC..Hα-helixtrans-61.2-40.3179.1-171.566.6000111.5I306 M308 A329 L330 R335 Y336 N337 V340 F390 V463 A467I306-L333 HydrophobicContact CG2-CD1 3.93Å; I306-L333 HydrophobicContact CG2-CD2 4.47Å; M308-L333 HydrophobicContact CE-CB 3.93Å; M308-L333 HydrophobicContact CE-CD1 4.2Å; M308-L333 HydrophobicContact CE-CG 4.48Å; M308-L333 HydrophobicContact SD-CB 4.03Å; M308-L333 HydrophobicContact SD-CD1 3.97Å; A329-L333 WeakPolarHBondContact O-CB 3.44Å; A329-L333 PolarHBondContact O-N 3.24Å; L330-L333 PolarHBondContact O-N 2.96Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 3.07Å; L333-Y336 PolarHBondContact O-N 2.87Å; L333-Y336 VanDerWaalsContact O-N 3.16Å; L333-N337 PolarHBondContact O-N 3.16Å; L333-N337 VanDerWaalsContact O-N 3.13Å; L333-V340 HydrophobicContact CD2-CG2 3.87Å; L333-V340 HydrophobicContact CG-CG2 3.99Å; L333-F390 HydrophobicContact CD2-CE2 4.18Å; L333-F390 HydrophobicContact CD2-CZ 4.4Å; L333-V463 HydrophobicContact CD2-CG1 4.15Å; L333-A467 HydrophobicContact CD2-CB 3.85Å
334G96.3Very high96.8Very high1 Ų133.4 Ų33.41%0.0114%0.144CC..Hα-helixtrans-56.6-36.9176.900000113.4L330 A331 K332 Y336 R363L330-G334 PolarHBondContact O-N 2.94Å; A331-G334 PolarHBondContact O-N 2.99Å; K332-G334 VanDerWaalsContact C-N 3.29Å; K332-G334 PolarHBondContact O-N 2.7Å; G334-Y336 PolarHBondContact O-N 3.36Å; G334-Y336 VanDerWaalsContact O-N 3.15Å; G334-R363 PolarHBondContact O-NH1 3.19Å; G334-R363 PolarHBondContact O-NH2 2.93Å
335R94.6Very high96.8Very high140 Ų14029.6 Ų29.653%0.52813%0.128SC..THydrogen-bonded Turntrans-61.4-23.6179.6-67172.6-163.2159.95.5113.9A331 K332 L333 E359 H360A331-R335 WeakPolarHBondContact O-CG 3.27Å; A331-R335 PolarHBondContact O-N 3.28Å; K332-R335 WeakPolarHBondContact O-CB 3.47Å; K332-R335 PolarHBondContact O-N 3.38Å; L333-R335 VanDerWaalsContact C-N 3.28Å; L333-R335 PolarHBondContact O-N 3.07Å; R335-E359 IonicContact CZ-OE1 3.7Å; R335-E359 IonicContact CZ-OE2 3.28Å; R335-E359 VanDerWaalsContact CZ-OE2 3.28Å; R335-E359 IonicContact NE-OE1 3.89Å; R335-E359 IonicContact NE-OE2 2.7Å; R335-E359 PolarHBondContact NE-OE2 3.25Å; R335-E359 IonicContact NH2-OE1 2.7Å; R335-E359 PolarHBondContact NH2-OE1 3.44Å; R335-E359 IonicContact NH2-OE2 3.04Å; R335-E359 PolarHBondContact NH2-OE2 3.25Å; R335-H360 PolarHBondContact N-NE2 3.4Å
336Y88.9Confident96.8Very high149 Ų14933.2 Ų33.258%0.58415%0.147SC*.THydrogen-bonded Turntrans-118.2-7.6-172.3-60.7-88.8000113.4P309 K332 L333 G334P309-Y336 HydrophobicContact CB-CD1 3.75Å; P309-Y336 HydrophobicContact CB-CD2 3.49Å; P309-Y336 VanDerWaalsContact CB-CD2 3.49Å; P309-Y336 HydrophobicContact CB-CE1 3.49Å; P309-Y336 VanDerWaalsContact CB-CE1 3.49Å; P309-Y336 HydrophobicContact CB-CE2 3.3Å; P309-Y336 HydrophobicContact CB-CG 3.72Å; P309-Y336 HydrophobicContact CG-CD2 3.43Å; P309-Y336 VanDerWaalsContact CG-CD2 3.43Å; P309-Y336 HydrophobicContact CG-CE1 4.35Å; P309-Y336 HydrophobicContact CG-CE2 3.18Å; P309-Y336 HydrophobicContact CG-CG 4.15Å; K332-Y336 VanDerWaalsContact O-CD2 3.32Å; K332-Y336 WeakPolarHBondContact O-CD2 3.42Å; L333-Y336 PolarHBondContact O-N 2.87Å; L333-Y336 VanDerWaalsContact O-N 3.16Å; G334-Y336 PolarHBondContact O-N 3.36Å; G334-Y336 VanDerWaalsContact O-N 3.15Å
337N91.4Very high96.8Very high22 Ų2234 Ų3412%0.11815%0.152CC..  trans-136.3109.1175.7-167.4-57.7000110.6I306 L333 R339 V340 R363I306-N337 WeakPolarHBondContact CG1-ND2 3.42Å; I306-N337 HydrophobicContact CG2-CB 4.49Å; L333-N337 PolarHBondContact O-N 3.16Å; L333-N337 VanDerWaalsContact O-N 3.13Å; N337-R339 PolarHBondContact O-N 3.08Å; N337-R339 WeakPolarHBondContact OD1-CA 3.47Å; N337-R339 VanDerWaalsContact OD1-CB 3.28Å; N337-R339 WeakPolarHBondContact OD1-CB 3.5Å; N337-R339 PolarHBondContact OD1-N 3.27Å; N337-V340 HydrophobicContact CB-CG2 3.94Å; N337-V340 PolarHBondContact O-N 3.11Å; N337-V340 PolarHBondContact OD1-N 3.2Å; N337-R363 PolarHBondContact O-NH1 3.25Å
338E92.2Very high96.8Very high164 Ų16435.7 Ų35.777%0.76616%0.159SC*.THydrogen-bonded Turntrans-70.1-14.1-179.4-63.2-175.4168.500113.5R363E338-R363 WeakPolarHBondContact O-CD 3.34Å
339R93.4Very high96.8Very high41 Ų4136.6 Ų36.616%0.15517%0.165CC..THydrogen-bonded Turntrans-86.3-9.1177.8-52.4-50.5-59.4-168.24.8113.2D147 V301 L303 N337 V341 R386 N387 V388D147-R339 IonicContact OD1-NH1 3.61Å; D147-R339 IonicContact OD1-NH2 2.76Å; D147-R339 PolarHBondContact OD1-NH2 3.4Å; V301-R339 HydrophobicContact CG1-CG 3.91Å; V301-R339 VanDerWaalsContact CG2-CZ 3.41Å; V301-R339 VanDerWaalsContact CG2-NH1 3.25Å; L303-R339 HydrophobicContact CD2-CB 3.87Å; L303-R339 HydrophobicContact CD2-CG 3.98Å; N337-R339 PolarHBondContact O-N 3.08Å; N337-R339 WeakPolarHBondContact OD1-CA 3.47Å; N337-R339 VanDerWaalsContact OD1-CB 3.28Å; N337-R339 WeakPolarHBondContact OD1-CB 3.5Å; N337-R339 PolarHBondContact OD1-N 3.27Å; R339-V341 PolarHBondContact O-N 3.07Å; R339-R386 PolarHBondContact NE-O 2.78Å; R339-R386 PolarHBondContact NH2-O 3.45Å; R339-N387 PolarHBondContact NH2-OD1 3.02Å; R339-V388 PolarHBondContact O-N 3.39Å
340V97.2Very high96.8Very high0 Ų038 Ų380%018%0.176CC..EExtended strand (participates in β ladder)trans-70.5121.7172.4176.40000108.7L333 N337 V342 F356 R363 V388 F390L333-V340 HydrophobicContact CD2-CG2 3.87Å; L333-V340 HydrophobicContact CG-CG2 3.99Å; N337-V340 HydrophobicContact CB-CG2 3.94Å; N337-V340 PolarHBondContact O-N 3.11Å; N337-V340 PolarHBondContact OD1-N 3.2Å; V340-V342 HydrophobicContact CG1-CG2 4.41Å; V340-F356 HydrophobicContact CG1-CE2 3.81Å; V340-F356 HydrophobicContact CG1-CZ 4.22Å; V340-R363 PolarHBondContact O-NH1 3.29Å; V340-V388 WeakPolarHBondContact CA-O 3.39Å; V340-V388 HydrophobicContact CG2-CB 4.39Å; V340-F390 HydrophobicContact CG1-CD2 4.14Å; V340-F390 HydrophobicContact CG1-CE2 4.41Å
341V98.4Very high96.8Very high1 Ų138 Ų381%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-124.9141.4175-56.90000109F146 R339 L343 R363 N387 V388 V389 F390F146-V341 HydrophobicContact CD2-CG1 4.23Å; F146-V341 HydrophobicContact CE1-CG1 4.13Å; F146-V341 HydrophobicContact CE2-CB 4.24Å; F146-V341 HydrophobicContact CE2-CG1 3.72Å; F146-V341 HydrophobicContact CZ-CB 4.09Å; F146-V341 HydrophobicContact CZ-CG1 3.65Å; R339-V341 PolarHBondContact O-N 3.07Å; V341-L343 HydrophobicContact CG2-CD1 4.44Å; V341-R363 WeakPolarHBondContact CA-O 3.35Å; V341-R363 HydrophobicContact CG1-CB 4.42Å; V341-N387 HydrophobicContact CG1-CB 4.04Å; V341-N387 HydrophobicContact CG2-CB 3.69Å; V341-V388 PolarHBondContact N-O 3.34Å; V341-V389 HydrophobicContact CG2-CB 4.13Å; V341-V389 HydrophobicContact CG2-CG1 4.11Å; V341-V389 HydrophobicContact CG2-CG2 3.72Å; V341-F390 PolarHBondContact O-N 2.95Å
342V98.9Very high96.8Very high0 Ų039.8 Ų39.80%018%0.183CC..EExtended strand (participates in β ladder)trans-122133.1-174.4178.10000110L330 V340 F356 R363 Y364 V365 F390L330-V342 HydrophobicContact CD1-CG1 4.08Å; L330-V342 HydrophobicContact CD1-CG2 3.97Å; L330-V342 HydrophobicContact CD2-CG2 4.39Å; V340-V342 HydrophobicContact CG1-CG2 4.41Å; V342-F356 HydrophobicContact CB-CD1 3.61Å; V342-F356 HydrophobicContact CB-CE1 3.85Å; V342-F356 HydrophobicContact CB-CG 4Å; V342-F356 HydrophobicContact CB-CZ 4.44Å; V342-F356 HydrophobicContact CG1-CD1 4.43Å; V342-F356 HydrophobicContact CG2-CB 4.17Å; V342-F356 HydrophobicContact CG2-CD1 3.51Å; V342-F356 HydrophobicContact CG2-CD2 3.6Å; V342-F356 HydrophobicContact CG2-CE1 3.66Å; V342-F356 HydrophobicContact CG2-CE2 3.74Å; V342-F356 HydrophobicContact CG2-CG 3.48Å; V342-F356 VanDerWaalsContact CG2-CG 3.48Å; V342-F356 HydrophobicContact CG2-CZ 3.78Å; V342-R363 PolarHBondContact N-O 3.04Å; V342-Y364 HydrophobicContact CB-CD2 4.06Å; V342-Y364 HydrophobicContact CG1-CD2 3.94Å; V342-Y364 HydrophobicContact CG1-CE2 3.95Å; V342-Y364 CarbonylContact O-C 3.53Å; V342-Y364 VanDerWaalsContact O-CA 3.3Å; V342-Y364 WeakPolarHBondContact O-CA 3.47Å; V342-V365 PolarHBondContact O-N 3.09Å; V342-F390 CarbonylContact C-O 3.59Å; V342-F390 VanDerWaalsContact CA-O 3.27Å; V342-F390 WeakPolarHBondContact CA-O 3.48Å; V342-F390 HydrophobicContact CG2-CB 4.34Å
343L98.9Very high96.9Very high0 Ų038.8 Ų38.80%018%0.179CC..EExtended strand (participates in β ladder)trans-120.9146.2177.1-57.388.6000109.3V341 V365 M374 V377 A378 V389 F390 A391 S392V341-L343 HydrophobicContact CG2-CD1 4.44Å; L343-V365 VanDerWaalsContact CA-O 3.31Å; L343-V365 WeakPolarHBondContact CA-O 3.15Å; L343-V365 HydrophobicContact CD2-CB 4.22Å; L343-V365 HydrophobicContact CG-CB 3.96Å; L343-V365 HydrophobicContact CG-CG2 4.3Å; L343-M374 HydrophobicContact CB-CG 4.18Å; L343-V377 HydrophobicContact CD2-CB 4.23Å; L343-V377 HydrophobicContact CD2-CG1 3.65Å; L343-A378 HydrophobicContact CD1-CB 4.38Å; L343-A378 HydrophobicContact CD2-CB 4.36Å; L343-V389 HydrophobicContact CD1-CG1 3.24Å; L343-F390 PolarHBondContact N-O 3.09Å; L343-A391 HydrophobicContact CB-CB 4.1Å; L343-A391 CarbonylContact O-C 3.43Å; L343-A391 VanDerWaalsContact O-CA 3.3Å; L343-A391 WeakPolarHBondContact O-CA 3.45Å; L343-S392 PolarHBondContact O-N 3.49Å
344D98.9Very high97Very high0 Ų041.7 Ų41.70%019%0.192CC..EExtended strand (participates in β ladder)trans-147.2148.5175-161.6-72.8000110.4T347 K348 T351 S353 Y364 V365 C367 S392D344-T347 VanDerWaalsContact OD1-CA 3.23Å; D344-T347 WeakPolarHBondContact OD1-CA 3.34Å; D344-T347 PolarHBondContact OD1-N 3.12Å; D344-T347 PolarHBondContact OD1-OG1 3.37Å; D344-K348 HydrophobicContact CB-CB 4.3Å; D344-K348 PolarHBondContact OD1-N 3.1Å; D344-K348 WeakPolarHBondContact OD2-CA 3.44Å; D344-K348 PolarHBondContact OD2-N 2.99Å; D344-T351 PolarHBondContact OD2-OG1 2.78Å; D344-S353 WeakPolarHBondContact CB-OG 3.46Å; D344-S353 VanDerWaalsContact CG-OG 3.29Å; D344-S353 WeakPolarHBondContact OD2-CB 3.04Å; D344-S353 PolarHBondContact OD2-OG 3.03Å; D344-Y364 HydrophobicContact CB-CE2 4.36Å; D344-Y364 WeakPolarHBondContact CB-OH 3.37Å; D344-V365 PolarHBondContact N-O 3.18Å; D344-C367 WeakPolarHBondContact O-CB 3.32Å; D344-C367 PolarHBondContact O-N 2.9Å; D344-S392 WeakPolarHBondContact CA-O 3.31Å; D344-S392 WeakPolarHBondContact OD2-CB 3.44Å
345G98.6Very high97.1Very high2 Ų243.9 Ų43.92%0.02120%0.204CC..SBendtrans-99.167.4177.800000113.4T347 Y368 M374 S392G345-T347 PolarHBondContact O-N 3.33Å; G345-T347 VanDerWaalsContact O-N 3.13Å; G345-Y368 CarbonylContact C-O 3.35Å; G345-Y368 VanDerWaalsContact C-O 3.23Å; G345-Y368 WeakPolarHBondContact CA-O 3.46Å; G345-M374 PolarHBondContact N-SD 2.76Å; G345-S392 PolarHBondContact N-O 3.2Å
346D98.7Very high97.3Very high76 Ų7637.2 Ų37.241%0.40618%0.178SC..SBendtrans52.326.4-176.9-157.432.4000116.8K348 E366 I369D346-K348 IonicContact OD1-NZ 2.89Å; D346-K348 PolarHBondContact OD1-NZ 3.36Å; D346-E366 WeakPolarHBondContact CA-OE1 3.31Å; D346-E366 PolarHBondContact N-OE1 2.87Å; D346-I369 HydrophobicContact CB-CG1 3.98Å
347T98.8Very high97.8Very high16 Ų1633.7 Ų33.710%0.09817%0.166CC..  trans-117.911.9178.658.60000113.2D344 G345 N349 S350 T351 T393 F394D344-T347 VanDerWaalsContact OD1-CA 3.23Å; D344-T347 WeakPolarHBondContact OD1-CA 3.34Å; D344-T347 PolarHBondContact OD1-N 3.12Å; D344-T347 PolarHBondContact OD1-OG1 3.37Å; G345-T347 PolarHBondContact O-N 3.33Å; G345-T347 VanDerWaalsContact O-N 3.13Å; T347-N349 VanDerWaalsContact C-N 3.26Å; T347-N349 PolarHBondContact O-N 3.45Å; T347-N349 VanDerWaalsContact O-N 3.11Å; T347-S350 CarbonylContact O-C 3.51Å; T347-S350 WeakPolarHBondContact O-CA 3.23Å; T347-S350 VanDerWaalsContact O-CB 3.29Å; T347-S350 WeakPolarHBondContact O-CB 3.27Å; T347-S350 PolarHBondContact O-N 3.09Å; T347-T351 PolarHBondContact O-N 2.68Å; T347-T351 PolarHBondContact O-OG1 3.27Å; T347-T351 WeakPolarHBondContact OG1-CG2 3.39Å; T347-T393 WeakPolarHBondContact OG1-CA 3.31Å; T347-F394 HydrophobicContact CG2-CD1 3.97Å; T347-F394 HydrophobicContact CG2-CE1 3.89Å
348K98.8Very high98.1Very high37 Ų3738.3 Ų38.316%0.16119%0.191CC..Hα-helixtrans-53.3-32.1-172.867.3-169.6153.2-75.50116.9D344 D346 S350 T351 F352 S353 E354 K357 Y364 E366D344-K348 HydrophobicContact CB-CB 4.3Å; D344-K348 PolarHBondContact OD1-N 3.1Å; D344-K348 WeakPolarHBondContact OD2-CA 3.44Å; D344-K348 PolarHBondContact OD2-N 2.99Å; D346-K348 IonicContact OD1-NZ 2.89Å; D346-K348 PolarHBondContact OD1-NZ 3.36Å; K348-S350 VanDerWaalsContact C-N 3.26Å; K348-T351 WeakPolarHBondContact CA-OG1 3.44Å; K348-F352 CarbonylContact O-C 3.57Å; K348-F352 WeakPolarHBondContact O-CA 3.37Å; K348-F352 PolarHBondContact O-N 3.46Å; K348-S353 VanDerWaalsContact CA-OG 3.32Å; K348-S353 WeakPolarHBondContact CA-OG 3.34Å; K348-S353 VanDerWaalsContact CB-OG 3.31Å; K348-S353 WeakPolarHBondContact CB-OG 3.39Å; K348-S353 PolarHBondContact O-N 2.94Å; K348-S353 VanDerWaalsContact O-N 3.15Å; K348-E354 HydrophobicContact CB-CB 4.11Å; K348-E354 HydrophobicContact CG-CB 4.11Å; K348-E354 WeakPolarHBondContact O-CB 3.45Å; K348-E354 WeakPolarHBondContact O-CG 3.44Å; K348-E354 PolarHBondContact O-N 3.29Å; K348-E354 VanDerWaalsContact O-N 3.09Å; K348-K357 HydrophobicContact CD-CD 4.1Å; K348-Y364 WeakPolarHBondContact CB-OH 3.43Å; K348-Y364 WeakPolarHBondContact CD-OH 3.46Å; K348-E366 WeakPolarHBondContact CE-OE2 3.4Å; K348-E366 IonicContact NZ-OE2 3.46Å; K348-E366 PolarHBondContact NZ-OE2 2.83Å
349N98.6Very high98.4Very high95 Ų9534.3 Ų34.351%0.50817%0.172SC..Hα-helixtrans-76-17.517662.6-10.4000112.8T347T347-N349 VanDerWaalsContact C-N 3.26Å; T347-N349 PolarHBondContact O-N 3.45Å; T347-N349 VanDerWaalsContact O-N 3.11Å
350S98.7Very high98.6Very high31 Ų3133.6 Ų33.622%0.21717%0.171CC..Hα-helixtrans-105.4-36.8-175.7-61.70000111.2R323 T347 K348 F352R323-S350 WeakPolarHBondContact CD-O 3.29Å; T347-S350 CarbonylContact O-C 3.51Å; T347-S350 WeakPolarHBondContact O-CA 3.23Å; T347-S350 VanDerWaalsContact O-CB 3.29Å; T347-S350 WeakPolarHBondContact O-CB 3.27Å; T347-S350 PolarHBondContact O-N 3.09Å; K348-S350 VanDerWaalsContact C-N 3.26Å; S350-F352 VanDerWaalsContact C-N 3.28Å
351T98.8Very high98.7Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-79-14.1169.761.20000112.3R323 D344 T347 K348 S353R323-T351 VanDerWaalsContact O-O 3.11Å; D344-T351 PolarHBondContact OD2-OG1 2.78Å; T347-T351 PolarHBondContact O-N 2.68Å; T347-T351 PolarHBondContact O-OG1 3.27Å; T347-T351 WeakPolarHBondContact OG1-CG2 3.39Å; K348-T351 WeakPolarHBondContact CA-OG1 3.44Å; T351-S353 PolarHBondContact O-N 3.35Å; T351-S353 PolarHBondContact OG1-N 2.95Å; T351-S353 PolarHBondContact OG1-OG 3.31Å
352F98.9Very high98.7Very high39 Ų3943.8 Ų43.817%0.17123%0.229CC..SBendtrans61.615.3-170.1-63.5-92.1000114.6R323 K324 G327 K348 S350 E354 L355R323-F352 HydrophobicContact CB-CD2 4.3Å; R323-F352 HydrophobicContact CG-CD2 3.87Å; R323-F352 HydrophobicContact CG-CE2 3.78Å; K324-F352 HydrophobicContact CB-CD1 4.25Å; K324-F352 HydrophobicContact CB-CD2 3.93Å; K324-F352 HydrophobicContact CB-CE1 4.26Å; K324-F352 HydrophobicContact CB-CE2 3.95Å; K324-F352 HydrophobicContact CB-CG 4.08Å; K324-F352 HydrophobicContact CB-CZ 4.11Å; K324-F352 HydrophobicContact CD-CE1 4.2Å; K324-F352 HydrophobicContact CD-CZ 4.42Å; K324-F352 HydrophobicContact CG-CD1 3.97Å; K324-F352 HydrophobicContact CG-CE1 4Å; K324-F352 HydrophobicContact CG-CG 4.24Å; K324-F352 HydrophobicContact CG-CZ 4.3Å; G327-F352 VanDerWaalsContact CA-O 3.23Å; G327-F352 WeakPolarHBondContact CA-O 3.42Å; K348-F352 CarbonylContact O-C 3.57Å; K348-F352 WeakPolarHBondContact O-CA 3.37Å; K348-F352 PolarHBondContact O-N 3.46Å; S350-F352 VanDerWaalsContact C-N 3.28Å; F352-E354 PolarHBondContact O-N 3.32Å; F352-E354 VanDerWaalsContact O-N 3.16Å; F352-L355 HydrophobicContact CB-CD1 4.25Å; F352-L355 HydrophobicContact CB-CG 4.47Å; F352-L355 HydrophobicContact CD1-CD1 4.45Å; F352-L355 WeakPolarHBondContact O-CB 3.37Å; F352-L355 PolarHBondContact O-N 2.94Å; F352-L355 VanDerWaalsContact O-N 3.1Å
353S98.9Very high98.6Very high0 Ų045.6 Ų45.60%024%0.236CC..THydrogen-bonded Turntrans-62.9-17.4170.4760000112D344 K348 T351 L355 F356 K357 Y364D344-S353 WeakPolarHBondContact CB-OG 3.46Å; D344-S353 VanDerWaalsContact CG-OG 3.29Å; D344-S353 WeakPolarHBondContact OD2-CB 3.04Å; D344-S353 PolarHBondContact OD2-OG 3.03Å; K348-S353 VanDerWaalsContact CA-OG 3.32Å; K348-S353 WeakPolarHBondContact CA-OG 3.34Å; K348-S353 VanDerWaalsContact CB-OG 3.31Å; K348-S353 WeakPolarHBondContact CB-OG 3.39Å; K348-S353 PolarHBondContact O-N 2.94Å; K348-S353 VanDerWaalsContact O-N 3.15Å; T351-S353 PolarHBondContact O-N 3.35Å; T351-S353 PolarHBondContact OG1-N 2.95Å; T351-S353 PolarHBondContact OG1-OG 3.31Å; S353-L355 PolarHBondContact O-N 3.41Å; S353-F356 WeakPolarHBondContact O-CB 3.49Å; S353-F356 PolarHBondContact O-N 2.87Å; S353-F356 VanDerWaalsContact O-N 3.07Å; S353-K357 PolarHBondContact O-N 2.81Å; S353-K357 VanDerWaalsContact O-N 3.12Å; S353-Y364 PolarHBondContact OG-OH 3.04Å
354E98.8Very high98.6Very high61 Ų6146 Ų4629%0.28524%0.238SC..Hα-helixtrans-58.2-27.5171.473.1-179.1163.100113.4K348 F352 F356 K357 N358K348-E354 HydrophobicContact CB-CB 4.11Å; K348-E354 HydrophobicContact CG-CB 4.11Å; K348-E354 WeakPolarHBondContact O-CB 3.45Å; K348-E354 WeakPolarHBondContact O-CG 3.44Å; K348-E354 PolarHBondContact O-N 3.29Å; K348-E354 VanDerWaalsContact O-N 3.09Å; F352-E354 PolarHBondContact O-N 3.32Å; F352-E354 VanDerWaalsContact O-N 3.16Å; E354-F356 VanDerWaalsContact C-N 3.31Å; E354-F356 PolarHBondContact O-N 2.88Å; E354-K357 WeakPolarHBondContact O-CB 3.46Å; E354-K357 PolarHBondContact O-N 2.93Å; E354-N358 WeakPolarHBondContact O-CB 3.34Å; E354-N358 PolarHBondContact O-N 3.16Å; E354-N358 PolarHBondContact O-ND2 2.88Å
355L98.8Very high98.6Very high48 Ų4846 Ų4625%0.25124%0.238SC..Hα-helixtrans-63.5-41.1175.9-64.8-179.1000110.7M328 A331 F352 S353 E359M328-L355 HydrophobicContact CG-CD1 3.73Å; A331-L355 HydrophobicContact CB-CB 4.4Å; F352-L355 HydrophobicContact CB-CD1 4.25Å; F352-L355 HydrophobicContact CB-CG 4.47Å; F352-L355 HydrophobicContact CD1-CD1 4.45Å; F352-L355 WeakPolarHBondContact O-CB 3.37Å; F352-L355 PolarHBondContact O-N 2.94Å; F352-L355 VanDerWaalsContact O-N 3.1Å; S353-L355 PolarHBondContact O-N 3.41Å; L355-E359 PolarHBondContact O-N 3.42Å
356F98.8Very high98.6Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-66.2-43.8171.8-176.5-82000111L330 V340 V342 S353 E354 N358 E359 H360 R363 Y364L330-F356 HydrophobicContact CB-CB 4.31Å; L330-F356 HydrophobicContact CB-CD2 4.19Å; L330-F356 WeakPolarHBondContact O-CD2 3.37Å; V340-F356 HydrophobicContact CG1-CE2 3.81Å; V340-F356 HydrophobicContact CG1-CZ 4.22Å; V342-F356 HydrophobicContact CB-CD1 3.61Å; V342-F356 HydrophobicContact CB-CE1 3.85Å; V342-F356 HydrophobicContact CB-CG 4Å; V342-F356 HydrophobicContact CB-CZ 4.44Å; V342-F356 HydrophobicContact CG1-CD1 4.43Å; V342-F356 HydrophobicContact CG2-CB 4.17Å; V342-F356 HydrophobicContact CG2-CD1 3.51Å; V342-F356 HydrophobicContact CG2-CD2 3.6Å; V342-F356 HydrophobicContact CG2-CE1 3.66Å; V342-F356 HydrophobicContact CG2-CE2 3.74Å; V342-F356 HydrophobicContact CG2-CG 3.48Å; V342-F356 VanDerWaalsContact CG2-CG 3.48Å; V342-F356 HydrophobicContact CG2-CZ 3.78Å; S353-F356 WeakPolarHBondContact O-CB 3.49Å; S353-F356 PolarHBondContact O-N 2.87Å; S353-F356 VanDerWaalsContact O-N 3.07Å; E354-F356 VanDerWaalsContact C-N 3.31Å; E354-F356 PolarHBondContact O-N 2.88Å; F356-N358 VanDerWaalsContact C-N 3.29Å; F356-N358 PolarHBondContact O-N 3.2Å; F356-E359 PolarHBondContact O-N 3.5Å; F356-H360 HydrophobicContact CD1-CB 4.04Å; F356-H360 AromaticContact CD2-CD2 3.76Å; F356-H360 HydrophobicContact CE1-CB 3.61Å; F356-H360 HydrophobicContact CE2-CB 4.25Å; F356-H360 AromaticContact CE2-CD2 3.74Å; F356-H360 HydrophobicContact CZ-CB 3.73Å; F356-H360 WeakPolarHBondContact O-CA 3.26Å; F356-H360 PolarHBondContact O-N 3.28Å; F356-R363 HydrophobicContact CE1-CB 3.95Å; F356-R363 WeakPolarHBondContact CE1-O 3.48Å; F356-R363 HydrophobicContact CZ-CB 4.02Å; F356-Y364 HydrophobicContact CD1-CD2 4.17Å
357K98.8Very high98.6Very high75 Ų7543.2 Ų43.233%0.32622%0.222SC..Hα-helixtrans-55.8-43.5177.9-174.6-176.4179.2-179.40112.3K348 S353 E354 E359 P361 Y364K348-K357 HydrophobicContact CD-CD 4.1Å; S353-K357 PolarHBondContact O-N 2.81Å; S353-K357 VanDerWaalsContact O-N 3.12Å; E354-K357 WeakPolarHBondContact O-CB 3.46Å; E354-K357 PolarHBondContact O-N 2.93Å; K357-E359 VanDerWaalsContact C-N 3.32Å; K357-E359 PolarHBondContact O-N 3.07Å; K357-P361 WeakPolarHBondContact O-CA 3.22Å; K357-P361 WeakPolarHBondContact O-CB 3.4Å; K357-P361 VanDerWaalsContact O-CD 3.32Å; K357-P361 WeakPolarHBondContact O-CD 3.48Å; K357-P361 VanDerWaalsContact O-N 3.13Å; K357-Y364 HydrophobicContact CB-CD1 3.98Å; K357-Y364 HydrophobicContact CB-CD2 3.6Å; K357-Y364 HydrophobicContact CB-CE1 4.25Å; K357-Y364 HydrophobicContact CB-CE2 3.89Å; K357-Y364 HydrophobicContact CB-CG 3.62Å; K357-Y364 HydrophobicContact CD-CD1 3.75Å; K357-Y364 HydrophobicContact CD-CE1 3.67Å; K357-Y364 HydrophobicContact CD-CG 4.28Å; K357-Y364 HydrophobicContact CG-CD1 3.62Å; K357-Y364 HydrophobicContact CG-CD2 4.19Å; K357-Y364 HydrophobicContact CG-CE1 4.02Å; K357-Y364 HydrophobicContact CG-CG 3.69Å
358N98.7Very high98.7Very high119 Ų11946.8 Ų46.864%0.63623%0.234SC*.Hα-helixtrans-67.1-34.1-177.5-69.2-20000112.1E354 F356E354-N358 WeakPolarHBondContact O-CB 3.34Å; E354-N358 PolarHBondContact O-N 3.16Å; E354-N358 PolarHBondContact O-ND2 2.88Å; F356-N358 VanDerWaalsContact C-N 3.29Å; F356-N358 PolarHBondContact O-N 3.2Å
359E98.5Very high98.7Very high80 Ų8050.6 Ų50.637%0.37426%0.255SS..Hα-helixtrans-88.4-33.9179-66.8-172.9-158.900113.6R335 L355 F356 K357 P361R335-E359 IonicContact CZ-OE1 3.7Å; R335-E359 IonicContact CZ-OE2 3.28Å; R335-E359 VanDerWaalsContact CZ-OE2 3.28Å; R335-E359 IonicContact NE-OE1 3.89Å; R335-E359 IonicContact NE-OE2 2.7Å; R335-E359 PolarHBondContact NE-OE2 3.25Å; R335-E359 IonicContact NH2-OE1 2.7Å; R335-E359 PolarHBondContact NH2-OE1 3.44Å; R335-E359 IonicContact NH2-OE2 3.04Å; R335-E359 PolarHBondContact NH2-OE2 3.25Å; L355-E359 PolarHBondContact O-N 3.42Å; F356-E359 PolarHBondContact O-N 3.5Å; K357-E359 VanDerWaalsContact C-N 3.32Å; K357-E359 PolarHBondContact O-N 3.07Å; E359-P361 VanDerWaalsContact C-CD 3.49Å
360H98.3Very high98.7Very high26 Ų2646.5 Ų46.512%0.1224%0.235CC..  trans-132.855.8-171.2-51.6-67.5000111.9A331 R335 F356 N362 R363 Y364A331-H360 PolarHBondContact O-NE2 3.11Å; A331-H360 VanDerWaalsContact O-NE2 3.12Å; R335-H360 PolarHBondContact N-NE2 3.4Å; F356-H360 HydrophobicContact CD1-CB 4.04Å; F356-H360 AromaticContact CD2-CD2 3.76Å; F356-H360 HydrophobicContact CE1-CB 3.61Å; F356-H360 HydrophobicContact CE2-CB 4.25Å; F356-H360 AromaticContact CE2-CD2 3.74Å; F356-H360 HydrophobicContact CZ-CB 3.73Å; F356-H360 WeakPolarHBondContact O-CA 3.26Å; F356-H360 PolarHBondContact O-N 3.28Å; H360-N362 PolarHBondContact O-N 3.27Å; H360-N362 VanDerWaalsContact O-N 3.12Å; H360-R363 VanDerWaalsContact CG-NH2 3.29Å; H360-R363 PolarHBondContact ND1-NH2 3.18Å; H360-R363 PolarHBondContact O-N 2.98Å; H360-Y364 PolarHBondContact O-N 3.31Å
361P98.3Very high98.7Very high75 Ų7545.2 Ų45.249%0.48723%0.225SC..G310 helixtrans-59.9-31.6-171.223.1-34.2000113.3K357 E359 R363 Y364K357-P361 WeakPolarHBondContact O-CA 3.22Å; K357-P361 WeakPolarHBondContact O-CB 3.4Å; K357-P361 VanDerWaalsContact O-CD 3.32Å; K357-P361 WeakPolarHBondContact O-CD 3.48Å; K357-P361 VanDerWaalsContact O-N 3.13Å; E359-P361 VanDerWaalsContact C-CD 3.49Å; P361-R363 PolarHBondContact O-N 3.35Å; P361-Y364 PolarHBondContact O-N 3.21Å
362N97.9Very high98.7Very high140 Ų14047.8 Ų47.875%0.74924%0.237SC*.G310 helixtrans-73.2-7.8179.2-63.1-33.5000114.1F146 H360F146-N362 WeakPolarHBondContact CE1-O 3.41Å; H360-N362 PolarHBondContact O-N 3.27Å; H360-N362 VanDerWaalsContact O-N 3.12Å
363R98.1Very high98.7Very high37 Ų3746 Ų4614%0.1423%0.23CC..G310 helixtrans-119.112177.5-66.8-176.1-65.3144.6-13.6112.5G334 N337 E338 V340 V341 V342 F356 H360 P361G334-R363 PolarHBondContact O-NH1 3.19Å; G334-R363 PolarHBondContact O-NH2 2.93Å; N337-R363 PolarHBondContact O-NH1 3.25Å; E338-R363 WeakPolarHBondContact O-CD 3.34Å; V340-R363 PolarHBondContact O-NH1 3.29Å; V341-R363 WeakPolarHBondContact CA-O 3.35Å; V341-R363 HydrophobicContact CG1-CB 4.42Å; V342-R363 PolarHBondContact N-O 3.04Å; F356-R363 HydrophobicContact CE1-CB 3.95Å; F356-R363 WeakPolarHBondContact CE1-O 3.48Å; F356-R363 HydrophobicContact CZ-CB 4.02Å; H360-R363 VanDerWaalsContact CG-NH2 3.29Å; H360-R363 PolarHBondContact ND1-NH2 3.18Å; H360-R363 PolarHBondContact O-N 2.98Å; P361-R363 PolarHBondContact O-N 3.35Å
364Y98.8Very high98.7Very high10 Ų1046 Ų464%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-106.2134.6175.3-175.1-87.5000109.6V342 D344 K348 S353 F356 K357 H360 P361 E366V342-Y364 HydrophobicContact CB-CD2 4.06Å; V342-Y364 HydrophobicContact CG1-CD2 3.94Å; V342-Y364 HydrophobicContact CG1-CE2 3.95Å; V342-Y364 CarbonylContact O-C 3.53Å; V342-Y364 VanDerWaalsContact O-CA 3.3Å; V342-Y364 WeakPolarHBondContact O-CA 3.47Å; D344-Y364 HydrophobicContact CB-CE2 4.36Å; D344-Y364 WeakPolarHBondContact CB-OH 3.37Å; K348-Y364 WeakPolarHBondContact CB-OH 3.43Å; K348-Y364 WeakPolarHBondContact CD-OH 3.46Å; S353-Y364 PolarHBondContact OG-OH 3.04Å; F356-Y364 HydrophobicContact CD1-CD2 4.17Å; K357-Y364 HydrophobicContact CB-CD1 3.98Å; K357-Y364 HydrophobicContact CB-CD2 3.6Å; K357-Y364 HydrophobicContact CB-CE1 4.25Å; K357-Y364 HydrophobicContact CB-CE2 3.89Å; K357-Y364 HydrophobicContact CB-CG 3.62Å; K357-Y364 HydrophobicContact CD-CD1 3.75Å; K357-Y364 HydrophobicContact CD-CE1 3.67Å; K357-Y364 HydrophobicContact CD-CG 4.28Å; K357-Y364 HydrophobicContact CG-CD1 3.62Å; K357-Y364 HydrophobicContact CG-CD2 4.19Å; K357-Y364 HydrophobicContact CG-CE1 4.02Å; K357-Y364 HydrophobicContact CG-CG 3.69Å; H360-Y364 PolarHBondContact O-N 3.31Å; P361-Y364 PolarHBondContact O-N 3.21Å; Y364-E366 HydrophobicContact CE1-CB 4.25Å
365V98.8Very high98.7Very high0 Ų043.1 Ų43.10%022%0.216CC..EExtended strand (participates in β ladder)trans-123.4108.7179.8-166.40000109.1Y141 F146 F173 Y177 V342 L343 D344 C367Y141-V365 HydrophobicContact CD1-CG2 4.33Å; Y141-V365 HydrophobicContact CD2-CG1 4.36Å; Y141-V365 HydrophobicContact CE1-CG2 3.66Å; Y141-V365 HydrophobicContact CE2-CG1 3.85Å; Y141-V365 HydrophobicContact CE2-CG2 4.39Å; F146-V365 HydrophobicContact CZ-CG2 4.09Å; F173-V365 HydrophobicContact CE2-CG1 3.75Å; F173-V365 HydrophobicContact CZ-CG1 3.79Å; Y177-V365 HydrophobicContact CE2-CG1 3.99Å; V342-V365 PolarHBondContact O-N 3.09Å; L343-V365 VanDerWaalsContact CA-O 3.31Å; L343-V365 WeakPolarHBondContact CA-O 3.15Å; L343-V365 HydrophobicContact CD2-CB 4.22Å; L343-V365 HydrophobicContact CG-CB 3.96Å; L343-V365 HydrophobicContact CG-CG2 4.3Å; D344-V365 PolarHBondContact N-O 3.18Å; V365-C367 PolarHBondContact O-N 2.83Å
366E98.9Very high98.7Very high16 Ų1641 Ų418%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-71.6119.6170.717859.9-111.200109.3Y177 D346 K348 Y364 Y368Y177-E366 WeakPolarHBondContact CE2-O 3.4Å; Y177-E366 WeakPolarHBondContact OH-CA 3.17Å; Y177-E366 PolarHBondContact OH-N 3.29Å; Y177-E366 PolarHBondContact OH-O 3.05Å; D346-E366 WeakPolarHBondContact CA-OE1 3.31Å; D346-E366 PolarHBondContact N-OE1 2.87Å; K348-E366 WeakPolarHBondContact CE-OE2 3.4Å; K348-E366 IonicContact NZ-OE2 3.46Å; K348-E366 PolarHBondContact NZ-OE2 2.83Å; Y364-E366 HydrophobicContact CE1-CB 4.25Å; E366-Y368 HydrophobicContact CG-CD1 4.29Å; E366-Y368 HydrophobicContact CG-CD2 4.24Å; E366-Y368 HydrophobicContact CG-CE1 4.16Å; E366-Y368 HydrophobicContact CG-CE2 4.09Å; E366-Y368 HydrophobicContact CG-CG 4.33Å; E366-Y368 PolarHBondContact OE1-N 3.26Å
367C98.9Very high98.7Very high3 Ų341 Ų412%0.0221%0.205CC..  trans-101.2-4.6-179-650000112.9D344 V365 M374D344-C367 WeakPolarHBondContact O-CB 3.32Å; D344-C367 PolarHBondContact O-N 2.9Å; V365-C367 PolarHBondContact O-N 2.83Å; C367-M374 HydrophobicContact CB-CB 3.67Å; C367-M374 HydrophobicContact CB-CG 3.83Å; C367-M374 HydrophobicContact CB-SD 4.5Å
368Y98.8Very high98.7Very high90 Ų9037.4 Ų37.435%0.35319%0.189SC..  trans60.2-171.2-176-60.1-83.1000112.7Y176 G345 E366 A370Y176-Y368 AromaticContact CD1-CE2 3.86Å; Y176-Y368 HydrophobicContact CD1-CE2 3.86Å; Y176-Y368 HydrophobicContact CD2-CE2 4.32Å; Y176-Y368 AromaticContact CE1-CE2 3.85Å; Y176-Y368 HydrophobicContact CE1-CE2 3.85Å; Y176-Y368 WeakPolarHBondContact CE1-OH 3.23Å; Y176-Y368 HydrophobicContact CE2-CE2 4.33Å; Y176-Y368 WeakPolarHBondContact CE2-OH 3.43Å; Y176-Y368 HydrophobicContact CG-CE2 4.11Å; Y176-Y368 AromaticContact CZ-CZ 3.86Å; Y176-Y368 PolarHBondContact OH-OH 2.59Å; G345-Y368 CarbonylContact C-O 3.35Å; G345-Y368 VanDerWaalsContact C-O 3.23Å; G345-Y368 WeakPolarHBondContact CA-O 3.46Å; E366-Y368 HydrophobicContact CG-CD1 4.29Å; E366-Y368 HydrophobicContact CG-CD2 4.24Å; E366-Y368 HydrophobicContact CG-CE1 4.16Å; E366-Y368 HydrophobicContact CG-CE2 4.09Å; E366-Y368 HydrophobicContact CG-CG 4.33Å; E366-Y368 PolarHBondContact OE1-N 3.26Å; Y368-A370 PolarHBondContact O-N 2.87Å
369I98.9Very high98.7Very high117 Ų11732.1 Ų32.160%0.616%0.161SC*.SBendtrans-76.368.5179.7-48.7175.1000110D346D346-I369 HydrophobicContact CB-CG1 3.98Å
370A98.9Very high98.7Very high10 Ų1028.4 Ų28.48%0.08315%0.145CC..  trans-15166.2-172.200000110.7E169 Y368 Q372 N373 M374E169-A370 HydrophobicContact CB-CB 4.09Å; E169-A370 HydrophobicContact CG-CB 3.89Å; E169-A370 WeakPolarHBondContact OE2-CB 3.44Å; Y368-A370 PolarHBondContact O-N 2.87Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 2.9Å; A370-N373 HydrophobicContact CB-CB 4.43Å; A370-N373 PolarHBondContact O-N 3.34Å; A370-M374 PolarHBondContact O-N 3.39Å
371E98.9Very high98.8Very high4 Ų427.2 Ų27.22%0.01914%0.139CC..Hα-helixtrans-64.3-32.1-171.7-62.679.5-173.200113.1M374 V375 T393 F397 R400 A401E371-M374 PolarHBondContact O-N 3.03Å; E371-V375 WeakPolarHBondContact O-CG2 3.38Å; E371-V375 PolarHBondContact O-N 3.28Å; E371-V375 VanDerWaalsContact O-N 3.1Å; E371-T393 HydrophobicContact CG-CG2 4.17Å; E371-F397 HydrophobicContact CG-CB 4.08Å; E371-R400 HydrophobicContact CB-CB 4.33Å; E371-R400 WeakPolarHBondContact OE2-CD 3.35Å; E371-R400 IonicContact OE2-CZ 3.25Å; E371-R400 IonicContact OE2-NE 3.28Å; E371-R400 IonicContact OE2-NH1 3.44Å; E371-R400 PolarHBondContact OE2-NH1 3.24Å; E371-A401 HydrophobicContact CB-CB 4.23Å; E371-A401 WeakPolarHBondContact O-CB 3.45Å
372Q98.9Very high98.8Very high53 Ų5324 Ų2425%0.24812%0.118CC..Hα-helixtrans-61.1-53.6176.1-68.1179.721.600109.7A166 E169 A370 M374 V375 S376 R400A166-Q372 HydrophobicContact CB-CB 4.22Å; E169-Q372 WeakPolarHBondContact OE2-CB 3.45Å; A370-Q372 VanDerWaalsContact C-N 3.29Å; A370-Q372 PolarHBondContact O-N 2.9Å; Q372-M374 PolarHBondContact O-N 3.23Å; Q372-V375 PolarHBondContact O-N 3.47Å; Q372-S376 PolarHBondContact O-N 3.34Å; Q372-S376 VanDerWaalsContact O-N 3.11Å; Q372-S376 PolarHBondContact O-OG 2.79Å; Q372-R400 WeakPolarHBondContact CG-O 3.5Å; Q372-R400 PolarHBondContact NE2-O 2.96Å
373N98.9Very high98.8Very high3 Ų318.1 Ų18.12%0.0169%0.088CC..Hα-helixtrans-65.7-37.3177.3-177.159.8000112.8G134 E169 A170 F173 A370 V375 S376 V377G134-N373 WeakPolarHBondContact CA-OD1 3.4Å; E169-N373 HydrophobicContact CB-CB 3.54Å; E169-N373 WeakPolarHBondContact OE2-CB 3.37Å; E169-N373 PolarHBondContact OE2-N 2.82Å; A170-N373 WeakPolarHBondContact CA-OD1 3.43Å; A170-N373 WeakPolarHBondContact CB-OD1 3.4Å; F173-N373 VanDerWaalsContact CB-ND2 3.34Å; F173-N373 WeakPolarHBondContact CB-ND2 3Å; A370-N373 HydrophobicContact CB-CB 4.43Å; A370-N373 PolarHBondContact O-N 3.34Å; N373-V375 VanDerWaalsContact C-N 3.31Å; N373-V375 PolarHBondContact O-N 3.36Å; N373-S376 PolarHBondContact O-N 3.24Å; N373-V377 WeakPolarHBondContact O-CB 3.44Å; N373-V377 VanDerWaalsContact O-CG2 3.26Å; N373-V377 WeakPolarHBondContact O-CG2 3.36Å; N373-V377 PolarHBondContact O-N 3.48Å
374M98.9Very high98.7Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-54.3-47.5175.4-179.8-176.864.200111.6L343 G345 C367 A370 E371 Q372 A378 A391 T393 F398L343-M374 HydrophobicContact CB-CG 4.18Å; G345-M374 PolarHBondContact N-SD 2.76Å; C367-M374 HydrophobicContact CB-CB 3.67Å; C367-M374 HydrophobicContact CB-CG 3.83Å; C367-M374 HydrophobicContact CB-SD 4.5Å; A370-M374 PolarHBondContact O-N 3.39Å; E371-M374 PolarHBondContact O-N 3.03Å; Q372-M374 PolarHBondContact O-N 3.23Å; M374-A378 WeakPolarHBondContact O-CB 3.45Å; M374-A378 PolarHBondContact O-N 2.9Å; M374-A391 HydrophobicContact CE-CB 4.33Å; M374-A391 HydrophobicContact CG-CB 4.14Å; M374-A391 HydrophobicContact SD-CB 4.12Å; M374-T393 HydrophobicContact CE-CG2 3.89Å; M374-F398 HydrophobicContact CE-CE1 3.8Å; M374-F398 HydrophobicContact CE-CZ 4.33Å
375V98.9Very high98.5Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-66.4-43.7178.2175.30000110.9E371 Q372 N373 V377 A378 I379 F398 A401 Q404 L405 I415E371-V375 WeakPolarHBondContact O-CG2 3.38Å; E371-V375 PolarHBondContact O-N 3.28Å; E371-V375 VanDerWaalsContact O-N 3.1Å; Q372-V375 PolarHBondContact O-N 3.47Å; N373-V375 VanDerWaalsContact C-N 3.31Å; N373-V375 PolarHBondContact O-N 3.36Å; V375-V377 PolarHBondContact O-N 3.45Å; V375-A378 WeakPolarHBondContact O-CB 3.47Å; V375-A378 PolarHBondContact O-N 3.14Å; V375-I379 HydrophobicContact CG1-CD1 4.25Å; V375-I379 VanDerWaalsContact O-CG1 3.32Å; V375-I379 WeakPolarHBondContact O-CG1 3.31Å; V375-I379 PolarHBondContact O-N 2.84Å; V375-F398 HydrophobicContact CG2-CD1 4.34Å; V375-F398 HydrophobicContact CG2-CE1 4.28Å; V375-A401 HydrophobicContact CB-CB 4.24Å; V375-A401 HydrophobicContact CG2-CB 3.68Å; V375-Q404 HydrophobicContact CB-CB 3.94Å; V375-Q404 HydrophobicContact CG1-CB 3.63Å; V375-L405 HydrophobicContact CG1-CD2 3.75Å; V375-L405 HydrophobicContact CG1-CG 4.32Å; V375-L405 HydrophobicContact CG2-CD2 4.01Å; V375-I415 HydrophobicContact CG1-CD1 4.37Å
376S98.9Very high98.4Very high3 Ų323 Ų232%0.02111%0.113CC..Hα-helixtrans-62.1-42.3177-66.60000113A135 Q372 N373 A378 I379 G380 Q404A135-S376 VanDerWaalsContact CA-O 3.31Å; A135-S376 WeakPolarHBondContact CA-O 3.44Å; Q372-S376 PolarHBondContact O-N 3.34Å; Q372-S376 VanDerWaalsContact O-N 3.11Å; Q372-S376 PolarHBondContact O-OG 2.79Å; N373-S376 PolarHBondContact O-N 3.24Å; S376-A378 VanDerWaalsContact C-N 3.34Å; S376-I379 WeakPolarHBondContact O-CB 3.49Å; S376-I379 PolarHBondContact O-N 2.79Å; S376-G380 PolarHBondContact O-N 2.71Å; S376-Q404 WeakPolarHBondContact OG-CG 3.4Å
377V98.9Very high98.4Very high0 Ų022.5 Ų22.50%011%0.111CC..Hα-helixtrans-63-41.8174.4171.80000110.2C137 G138 F173 L343 N373 V375 I379 G380 C381C137-V377 HydrophobicContact CB-CG2 4.08Å; G138-V377 WeakPolarHBondContact CA-O 3.49Å; F173-V377 HydrophobicContact CD1-CG2 4.25Å; F173-V377 HydrophobicContact CD2-CG2 4.31Å; F173-V377 HydrophobicContact CE1-CG1 4.28Å; F173-V377 HydrophobicContact CE1-CG2 4.06Å; F173-V377 HydrophobicContact CE2-CG1 4.14Å; F173-V377 HydrophobicContact CE2-CG2 4.1Å; F173-V377 HydrophobicContact CG-CG2 4.38Å; F173-V377 HydrophobicContact CZ-CG1 3.7Å; F173-V377 HydrophobicContact CZ-CG2 3.99Å; L343-V377 HydrophobicContact CD2-CB 4.23Å; L343-V377 HydrophobicContact CD2-CG1 3.65Å; N373-V377 WeakPolarHBondContact O-CB 3.44Å; N373-V377 VanDerWaalsContact O-CG2 3.26Å; N373-V377 WeakPolarHBondContact O-CG2 3.36Å; N373-V377 PolarHBondContact O-N 3.48Å; V375-V377 PolarHBondContact O-N 3.45Å; V377-I379 VanDerWaalsContact C-N 3.35Å; V377-I379 PolarHBondContact O-N 2.89Å; V377-G380 PolarHBondContact O-N 3.5Å; V377-G380 VanDerWaalsContact O-N 3.16Å; V377-C381 PolarHBondContact O-N 3.31Å; V377-C381 PolarHBondContact O-SG 2.95Å; V377-C381 VanDerWaalsContact O-SG 3.35Å
378A98.9Very high98.3Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-59.6-43.617600000112.3L343 M374 V375 S376 C381 A382 V389 A391 I415L343-A378 HydrophobicContact CD1-CB 4.38Å; L343-A378 HydrophobicContact CD2-CB 4.36Å; M374-A378 WeakPolarHBondContact O-CB 3.45Å; M374-A378 PolarHBondContact O-N 2.9Å; V375-A378 WeakPolarHBondContact O-CB 3.47Å; V375-A378 PolarHBondContact O-N 3.14Å; S376-A378 VanDerWaalsContact C-N 3.34Å; A378-C381 PolarHBondContact O-N 3.28Å; A378-A382 PolarHBondContact O-N 3.46Å; A378-A382 VanDerWaalsContact O-N 3.15Å; A378-V389 HydrophobicContact CB-CG1 3.66Å; A378-A391 HydrophobicContact CB-CB 4.32Å; A378-I415 HydrophobicContact CB-CG2 4.35Å
379I98.9Very high98.3Very high7 Ų718.5 Ų18.54%0.03610%0.096CC..Hα-helixtrans-58.8-49.2173.1-62.9163.1000110V124 V375 S376 V377 C381 A382 V383 A408 I415V124-I379 HydrophobicContact CG1-CG2 3.63Å; V375-I379 HydrophobicContact CG1-CD1 4.25Å; V375-I379 VanDerWaalsContact O-CG1 3.32Å; V375-I379 WeakPolarHBondContact O-CG1 3.31Å; V375-I379 PolarHBondContact O-N 2.84Å; S376-I379 WeakPolarHBondContact O-CB 3.49Å; S376-I379 PolarHBondContact O-N 2.79Å; V377-I379 VanDerWaalsContact C-N 3.35Å; V377-I379 PolarHBondContact O-N 2.89Å; I379-C381 VanDerWaalsContact C-N 3.29Å; I379-C381 PolarHBondContact O-N 3.22Å; I379-A382 PolarHBondContact O-N 3.32Å; I379-A382 VanDerWaalsContact O-N 3.1Å; I379-V383 WeakPolarHBondContact O-CG2 3.28Å; I379-V383 PolarHBondContact O-N 3.38Å; I379-V383 VanDerWaalsContact O-N 3.17Å; I379-A408 HydrophobicContact CD1-CB 3.58Å; I379-A408 HydrophobicContact CG1-CB 3.83Å; I379-I415 HydrophobicContact CG1-CD1 4.06Å
380G98.8Very high98.3Very high3 Ų313 Ų133%0.0317%0.067CC..Hα-helixtrans-59.6-36.2179.100000114A135 M139 S376 V377A135-G380 WeakPolarHBondContact O-CA 3.38Å; M139-G380 WeakPolarHBondContact CG-O 3.35Å; S376-G380 PolarHBondContact O-N 2.71Å; V377-G380 PolarHBondContact O-N 3.5Å; V377-G380 VanDerWaalsContact O-N 3.16Å
381C98.8Very high98.3Very high0 Ų012.5 Ų12.50%06%0.063CC..Hα-helixtrans-71.8-27.3175.9-71.70000113.5G138 T142 V377 A378 I379 N387 V389G138-C381 PolarHBondContact O-SG 3.22Å; T142-C381 WeakPolarHBondContact OG1-CA 3.48Å; V377-C381 PolarHBondContact O-N 3.31Å; V377-C381 PolarHBondContact O-SG 2.95Å; V377-C381 VanDerWaalsContact O-SG 3.35Å; A378-C381 PolarHBondContact O-N 3.28Å; I379-C381 VanDerWaalsContact C-N 3.29Å; I379-C381 PolarHBondContact O-N 3.22Å; C381-N387 WeakPolarHBondContact O-CB 3.33Å; C381-N387 PolarHBondContact O-N 2.76Å; C381-N387 PolarHBondContact O-ND2 2.78Å; C381-V389 HydrophobicContact CB-CG2 3.8Å
382A98.4Very high98.3Very high7 Ų712.3 Ų12.36%0.0586%0.062CC..Hα-helixtrans-84.1-23-179.600000113.2A378 I379 D385 V389 N414 I415A378-A382 PolarHBondContact O-N 3.46Å; A378-A382 VanDerWaalsContact O-N 3.15Å; I379-A382 PolarHBondContact O-N 3.32Å; I379-A382 VanDerWaalsContact O-N 3.1Å; A382-D385 PolarHBondContact O-N 3.09Å; A382-D385 VanDerWaalsContact O-N 3.14Å; A382-V389 HydrophobicContact CB-CG2 3.88Å; A382-N414 WeakPolarHBondContact CB-O 3.46Å; A382-I415 HydrophobicContact CB-CG2 3.88Å
383V97.8Very high98.3Very high17 Ų179.8 Ų9.810%0.1035%0.051CC..G310 helixtrans-51.9142.6-178155.90000112.1D123 V124 M139 I379 D385 R386D123-V383 HydrophobicContact CB-CG1 3.59Å; D123-V383 HydrophobicContact CB-CG2 4.1Å; D123-V383 WeakPolarHBondContact OD1-CG1 3.15Å; V124-V383 HydrophobicContact CG1-CG2 3.65Å; M139-V383 HydrophobicContact CE-CB 3.91Å; M139-V383 HydrophobicContact CE-CG1 3.74Å; M139-V383 HydrophobicContact CE-CG2 3.67Å; M139-V383 HydrophobicContact SD-CG1 4.47Å; I379-V383 WeakPolarHBondContact O-CG2 3.28Å; I379-V383 PolarHBondContact O-N 3.38Å; I379-V383 VanDerWaalsContact O-N 3.17Å; V383-D385 PolarHBondContact O-N 2.96Å; V383-R386 VanDerWaalsContact O-CG 3.3Å; V383-R386 WeakPolarHBondContact O-CG 3.42Å; V383-R386 PolarHBondContact O-N 3.34Å
384R96.6Very high98.3Very high44 Ų4410.5 Ų10.517%0.1665%0.054CC..G310 helixtrans5432-176.9-61172.8-166.5-162.96.2113.2P67 R68 N69 R74 D123 R386P67-R384 PolarHBondContact O-NH2 3.43Å; R68-R384 WeakPolarHBondContact O-CD 3.38Å; N69-R384 PolarHBondContact O-NH1 3.29Å; R74-R384 VanDerWaalsContact NE-CZ 3.34Å; R74-R384 VanDerWaalsContact NE-NH1 3.19Å; D123-R384 WeakPolarHBondContact OD1-CG 3.48Å; D123-R384 IonicContact OD1-CZ 2.78Å; D123-R384 IonicContact OD1-NE 3.28Å; D123-R384 PolarHBondContact OD1-NE 3.47Å; D123-R384 IonicContact OD1-NH2 2.81Å; D123-R384 IonicContact OD2-CZ 3.52Å; D123-R384 IonicContact OD2-NE 2.79Å; D123-R384 PolarHBondContact OD2-NE 3.17Å; D123-R384 IonicContact OD2-NH2 3.99Å; D123-R384 PolarHBondContact OD2-NH2 2.87Å; R384-R386 HydrophobicContact CB-CG 4.46Å; R384-R386 PolarHBondContact O-N 2.73Å; R384-R386 VanDerWaalsContact O-N 3.08Å
385D95.5Very high98.3Very high92 Ų9210.5 Ų10.549%0.4925%0.054SC..G310 helixtrans52.233.3178.5-63.2-38.4000112.6L303 A382 V383L303-D385 HydrophobicContact CD1-CB 3.7Å; L303-D385 HydrophobicContact CG-CB 4.3Å; A382-D385 PolarHBondContact O-N 3.09Å; A382-D385 VanDerWaalsContact O-N 3.14Å; V383-D385 PolarHBondContact O-N 2.96Å
386R96.5Very high98.3Very high14 Ų1411.6 Ų11.65%0.0536%0.06CC..  trans-67.9-51.2178.8-60.5-42.5-71.71730.1109.3T142 D147 S299 R339 V383 R384T142-R386 HydrophobicContact CG2-CB 3.87Å; T142-R386 HydrophobicContact CG2-CG 4.14Å; D147-R386 IonicContact OD1-CZ 3.29Å; D147-R386 IonicContact OD1-NE 3.96Å; D147-R386 PolarHBondContact OD1-NE 3.2Å; D147-R386 IonicContact OD1-NH2 3.42Å; D147-R386 PolarHBondContact OD1-NH2 2.93Å; D147-R386 IonicContact OD2-CZ 2.73Å; D147-R386 IonicContact OD2-NE 2.72Å; D147-R386 PolarHBondContact OD2-NE 3.29Å; D147-R386 IonicContact OD2-NH2 3.01Å; D147-R386 PolarHBondContact OD2-NH2 2.88Å; S299-R386 PolarHBondContact O-NH1 3.32Å; S299-R386 PolarHBondContact O-NH2 3.16Å; R339-R386 PolarHBondContact NE-O 2.78Å; R339-R386 PolarHBondContact NH2-O 3.45Å; V383-R386 VanDerWaalsContact O-CG 3.3Å; V383-R386 WeakPolarHBondContact O-CG 3.42Å; V383-R386 PolarHBondContact O-N 3.34Å; R384-R386 HydrophobicContact CB-CG 4.46Å; R384-R386 PolarHBondContact O-N 2.73Å; R384-R386 VanDerWaalsContact O-N 3.08Å
387N97.5Very high98.3Very high6 Ų613.6 Ų13.63%0.0327%0.069CC..  trans-129.7156.1-173.9-54.9-67.7000113.1T142 R339 V341 C381 V389T142-N387 WeakPolarHBondContact CG2-ND2 3.32Å; T142-N387 PolarHBondContact OG1-ND2 3.49Å; R339-N387 PolarHBondContact NH2-OD1 3.02Å; V341-N387 HydrophobicContact CG1-CB 4.04Å; V341-N387 HydrophobicContact CG2-CB 3.69Å; C381-N387 WeakPolarHBondContact O-CB 3.33Å; C381-N387 PolarHBondContact O-N 2.76Å; C381-N387 PolarHBondContact O-ND2 2.78Å; N387-V389 HydrophobicContact CB-CG2 3.93Å
388V98Very high98.3Very high9 Ų913.6 Ų13.66%0.0557%0.069CC..EExtended strand (participates in β ladder)trans-94.7105.8164.9178.80000107.1L303 I306 R339 V340 V341 F390 A467L303-V388 HydrophobicContact CD1-CG2 4.17Å; L303-V388 HydrophobicContact CD2-CG2 3.8Å; L303-V388 HydrophobicContact CG-CG2 4.42Å; I306-V388 HydrophobicContact CD1-CB 4.23Å; I306-V388 HydrophobicContact CD1-CG1 4.37Å; I306-V388 HydrophobicContact CD1-CG2 3.2Å; R339-V388 PolarHBondContact O-N 3.39Å; V340-V388 WeakPolarHBondContact CA-O 3.39Å; V340-V388 HydrophobicContact CG2-CB 4.39Å; V341-V388 PolarHBondContact N-O 3.34Å; V388-F390 HydrophobicContact CG1-CD2 4.49Å; V388-F390 HydrophobicContact CG1-CE2 3.9Å; V388-A467 HydrophobicContact CG1-CB 4.06Å
389V98.6Very high98.3Very high0 Ų015.9 Ų15.90%09%0.088CC..EExtended strand (participates in β ladder)trans-101.2129.8-164.6-173.90000110.5V341 L343 A378 C381 A382 N387 I415 N416V341-V389 HydrophobicContact CG2-CB 4.13Å; V341-V389 HydrophobicContact CG2-CG1 4.11Å; V341-V389 HydrophobicContact CG2-CG2 3.72Å; L343-V389 HydrophobicContact CD1-CG1 3.24Å; A378-V389 HydrophobicContact CB-CG1 3.66Å; C381-V389 HydrophobicContact CB-CG2 3.8Å; A382-V389 HydrophobicContact CB-CG2 3.88Å; N387-V389 HydrophobicContact CB-CG2 3.93Å; V389-I415 HydrophobicContact CB-CG2 4.37Å; V389-N416 VanDerWaalsContact O-CB 3.27Å; V389-N416 WeakPolarHBondContact O-CB 3.16Å; V389-N416 PolarHBondContact O-N 3.39Å; V389-N416 PolarHBondContact O-ND2 3.27Å
390F98.9Very high98.3Very high0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-117.2124.5168.3-73.4-95.4000109.6Y326 L330 L333 V340 V341 V342 L343 V388 N416 V463 A466 A467 I475Y326-F390 HydrophobicContact CE2-CD1 4.29Å; L330-F390 HydrophobicContact CD2-CB 3.98Å; L330-F390 HydrophobicContact CD2-CD1 3.68Å; L330-F390 HydrophobicContact CD2-CD2 3.84Å; L330-F390 HydrophobicContact CD2-CE1 4.07Å; L330-F390 HydrophobicContact CD2-CE2 4.21Å; L330-F390 HydrophobicContact CD2-CG 3.55Å; L330-F390 HydrophobicContact CD2-CZ 4.32Å; L333-F390 HydrophobicContact CD2-CE2 4.18Å; L333-F390 HydrophobicContact CD2-CZ 4.4Å; V340-F390 HydrophobicContact CG1-CD2 4.14Å; V340-F390 HydrophobicContact CG1-CE2 4.41Å; V341-F390 PolarHBondContact O-N 2.95Å; V342-F390 CarbonylContact C-O 3.59Å; V342-F390 VanDerWaalsContact CA-O 3.27Å; V342-F390 WeakPolarHBondContact CA-O 3.48Å; V342-F390 HydrophobicContact CG2-CB 4.34Å; L343-F390 PolarHBondContact N-O 3.09Å; V388-F390 HydrophobicContact CG1-CD2 4.49Å; V388-F390 HydrophobicContact CG1-CE2 3.9Å; F390-N416 CarbonylContact C-O 3.6Å; F390-N416 VanDerWaalsContact CA-O 3.28Å; F390-N416 WeakPolarHBondContact CA-O 3.44Å; F390-N416 HydrophobicContact CD1-CB 3.34Å; F390-N416 HydrophobicContact CD2-CB 4.36Å; F390-N416 HydrophobicContact CE1-CB 3.42Å; F390-N416 VanDerWaalsContact CE1-CB 3.42Å; F390-N416 HydrophobicContact CE2-CB 4.43Å; F390-N416 HydrophobicContact CG-CB 3.84Å; F390-N416 HydrophobicContact CZ-CB 3.99Å; F390-V463 HydrophobicContact CE1-CG1 4.19Å; F390-V463 HydrophobicContact CZ-CG1 4.11Å; F390-A466 HydrophobicContact CE1-CB 4.27Å; F390-A467 HydrophobicContact CE2-CB 4.2Å; F390-A467 HydrophobicContact CZ-CB 3.97Å; F390-I475 HydrophobicContact CE1-CD1 4.34Å
391A98.9Very high98.3Very high0 Ų021.6 Ų21.60%011%0.108CC..EExtended strand (participates in β ladder)trans-116.1140.6171.700000111L343 M374 A378 N416 L417 C418L343-A391 HydrophobicContact CB-CB 4.1Å; L343-A391 CarbonylContact O-C 3.43Å; L343-A391 VanDerWaalsContact O-CA 3.3Å; L343-A391 WeakPolarHBondContact O-CA 3.45Å; M374-A391 HydrophobicContact CE-CB 4.33Å; M374-A391 HydrophobicContact CG-CB 4.14Å; M374-A391 HydrophobicContact SD-CB 4.12Å; A378-A391 HydrophobicContact CB-CB 4.32Å; A391-N416 PolarHBondContact N-O 3.49Å; A391-L417 HydrophobicContact CB-CD2 4Å; A391-L417 CarbonylContact O-C 3.57Å; A391-L417 WeakPolarHBondContact O-CA 3.43Å; A391-C418 PolarHBondContact O-N 2.67Å
392S98.9Very high98.3Very high0 Ų026 Ų260%013%0.125CC..EExtended strand (participates in β ladder)trans-131.8137.2-172.3-37.70000112.1Y326 L343 D344 G345 C418Y326-S392 WeakPolarHBondContact CE1-OG 3.46Å; Y326-S392 PolarHBondContact OH-OG 2.84Å; L343-S392 PolarHBondContact O-N 3.49Å; D344-S392 WeakPolarHBondContact CA-O 3.31Å; D344-S392 WeakPolarHBondContact OD2-CB 3.44Å; G345-S392 PolarHBondContact N-O 3.2Å; S392-C418 WeakPolarHBondContact CA-O 3.4Å
393T98.9Very high98.3Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-157.3-165.5164.5-175.50000108.8T347 E371 M374 F397 F398 C418 S420T347-T393 WeakPolarHBondContact OG1-CA 3.31Å; E371-T393 HydrophobicContact CG-CG2 4.17Å; M374-T393 HydrophobicContact CE-CG2 3.89Å; T393-F397 HydrophobicContact CG2-CB 4.21Å; T393-F398 HydrophobicContact CG2-CD1 4.03Å; T393-F398 HydrophobicContact CG2-CD2 3.96Å; T393-F398 HydrophobicContact CG2-CE1 3.84Å; T393-F398 HydrophobicContact CG2-CE2 3.77Å; T393-F398 HydrophobicContact CG2-CG 4.08Å; T393-F398 HydrophobicContact CG2-CZ 3.71Å; T393-C418 PolarHBondContact N-O 3.11Å; T393-S420 PolarHBondContact O-N 3.36Å; T393-S420 PolarHBondContact O-OG 3.43Å
394F98.9Very high98.3Very high18 Ų1827.9 Ų27.98%0.07913%0.133CC..EExtended strand (participates in β ladder)trans-74.6141.4169.7-68.320.9000108.1T347 T396 F397 S420 H421 Q433T347-F394 HydrophobicContact CG2-CD1 3.97Å; T347-F394 HydrophobicContact CG2-CE1 3.89Å; F394-T396 HydrophobicContact CB-CG2 4.2Å; F394-T396 PolarHBondContact O-N 2.88Å; F394-T396 VanDerWaalsContact O-N 3.15Å; F394-F397 HydrophobicContact CB-CD2 3.72Å; F394-F397 HydrophobicContact CB-CE2 4.01Å; F394-F397 HydrophobicContact CB-CG 4.29Å; F394-F397 HydrophobicContact CD2-CD2 4.48Å; F394-F397 AromaticContact CD2-CE2 3.92Å; F394-F397 HydrophobicContact CD2-CE2 3.92Å; F394-F397 HydrophobicContact CD2-CZ 4.47Å; F394-F397 HydrophobicContact CG-CD2 4.13Å; F394-F397 HydrophobicContact CG-CE2 4.01Å; F394-F397 PolarHBondContact O-N 3.39Å; F394-S420 CarbonylContact C-O 3.45Å; F394-S420 WeakPolarHBondContact CA-O 3.41Å; F394-S420 WeakPolarHBondContact CD1-OG 3.23Å; F394-H421 HydrophobicContact CB-CB 4.28Å; F394-H421 HydrophobicContact CD1-CB 4.45Å; F394-H421 AromaticContact CD1-ND1 3.52Å; F394-H421 HydrophobicContact CD2-CB 3.71Å; F394-H421 AromaticContact CD2-CG 3.68Å; F394-H421 AromaticContact CE1-CE1 3.42Å; F394-H421 VanDerWaalsContact CE1-CE1 3.42Å; F394-H421 WeakPolarHBondContact CE1-CE1 3.47Å; F394-H421 AromaticContact CE1-CG 3.99Å; F394-H421 AromaticContact CE1-ND1 3.4Å; F394-H421 WeakPolarHBondContact CE1-ND1 3.39Å; F394-H421 HydrophobicContact CE2-CB 4.13Å; F394-H421 AromaticContact CE2-CD2 3.59Å; F394-H421 AromaticContact CE2-CG 3.61Å; F394-H421 AromaticContact CE2-ND1 3.9Å; F394-H421 AromaticContact CE2-NE2 3.96Å; F394-H421 HydrophobicContact CG-CB 3.9Å; F394-H421 AromaticContact CG-CG 3.89Å; F394-H421 AromaticContact CG-ND1 3.86Å; F394-H421 AromaticContact CZ-CD2 3.71Å; F394-H421 AromaticContact CZ-CE1 3.43Å; F394-H421 VanDerWaalsContact CZ-CE1 3.43Å; F394-H421 WeakPolarHBondContact CZ-CE1 3.1Å; F394-H421 AromaticContact CZ-CG 3.78Å; F394-H421 AromaticContact CZ-ND1 3.6Å; F394-H421 AromaticContact CZ-NE2 3.57Å; F394-Q433 HydrophobicContact CD2-CB 4.2Å; F394-Q433 HydrophobicContact CD2-CG 4.12Å; F394-Q433 HydrophobicContact CE2-CB 4.35Å; F394-Q433 HydrophobicContact CE2-CG 4.02Å
395A98.8Very high98.4Very high1 Ų125.8 Ų25.81%0.00813%0.126CC..G310 helixtrans-54.3-39.2-176.300000112.2F397 F398 S420 D438 F474A395-F397 VanDerWaalsContact C-N 3.33Å; A395-F397 PolarHBondContact O-N 3.46Å; A395-F398 PolarHBondContact O-N 2.81Å; A395-S420 WeakPolarHBondContact CB-O 3.34Å; A395-S420 PolarHBondContact N-O 3.49Å; A395-D438 HydrophobicContact CB-CB 4.05Å; A395-F474 HydrophobicContact CB-CZ 4.24Å
396T98.6Very high98.6Very high22 Ų2226.3 Ų26.314%0.13512%0.121CC..G310 helixtrans-62.2-35.8176.2-173.50000113F394 F398 A399 Q433F394-T396 HydrophobicContact CB-CG2 4.2Å; F394-T396 PolarHBondContact O-N 2.88Å; F394-T396 VanDerWaalsContact O-N 3.15Å; T396-F398 VanDerWaalsContact C-N 3.27Å; T396-F398 PolarHBondContact O-N 2.85Å; T396-A399 WeakPolarHBondContact O-CB 3.27Å; T396-A399 PolarHBondContact O-N 3.23Å; T396-Q433 WeakPolarHBondContact CG2-O 3.35Å
397F98.8Very high98.7Very high46 Ų4626 Ų2620%0.20212%0.12CC..G310 helixtrans-76.5-13.6-177.2-60-30.5000113.3E371 T393 F394 A395 A399 R400 Q433E371-F397 HydrophobicContact CG-CB 4.08Å; T393-F397 HydrophobicContact CG2-CB 4.21Å; F394-F397 HydrophobicContact CB-CD2 3.72Å; F394-F397 HydrophobicContact CB-CE2 4.01Å; F394-F397 HydrophobicContact CB-CG 4.29Å; F394-F397 HydrophobicContact CD2-CD2 4.48Å; F394-F397 AromaticContact CD2-CE2 3.92Å; F394-F397 HydrophobicContact CD2-CE2 3.92Å; F394-F397 HydrophobicContact CD2-CZ 4.47Å; F394-F397 HydrophobicContact CG-CD2 4.13Å; F394-F397 HydrophobicContact CG-CE2 4.01Å; F394-F397 PolarHBondContact O-N 3.39Å; A395-F397 VanDerWaalsContact C-N 3.33Å; A395-F397 PolarHBondContact O-N 3.46Å; F397-A399 PolarHBondContact O-N 3.18Å; F397-R400 VanDerWaalsContact O-CB 3.26Å; F397-R400 WeakPolarHBondContact O-CB 3.42Å; F397-R400 PolarHBondContact O-N 3.31Å; F397-Q433 HydrophobicContact CZ-CG 4.45Å
398F98.9Very high98.8Very high0 Ų025.7 Ų25.70%012%0.118CC..G310 helixtrans-64-20.1165.8-77.3-60.2000113M374 V375 T393 A395 T396 R400 A401 Y402 L405 L417 C418 M441 F442 F474M374-F398 HydrophobicContact CE-CE1 3.8Å; M374-F398 HydrophobicContact CE-CZ 4.33Å; V375-F398 HydrophobicContact CG2-CD1 4.34Å; V375-F398 HydrophobicContact CG2-CE1 4.28Å; T393-F398 HydrophobicContact CG2-CD1 4.03Å; T393-F398 HydrophobicContact CG2-CD2 3.96Å; T393-F398 HydrophobicContact CG2-CE1 3.84Å; T393-F398 HydrophobicContact CG2-CE2 3.77Å; T393-F398 HydrophobicContact CG2-CG 4.08Å; T393-F398 HydrophobicContact CG2-CZ 3.71Å; A395-F398 PolarHBondContact O-N 2.81Å; T396-F398 VanDerWaalsContact C-N 3.27Å; T396-F398 PolarHBondContact O-N 2.85Å; F398-R400 PolarHBondContact O-N 2.93Å; F398-A401 CarbonylContact O-C 3.55Å; F398-A401 PolarHBondContact O-N 3.1Å; F398-Y402 PolarHBondContact O-N 3.41Å; F398-L405 HydrophobicContact CB-CD1 4.13Å; F398-L405 HydrophobicContact CD1-CD1 4.42Å; F398-L417 HydrophobicContact CE1-CB 4.43Å; F398-L417 HydrophobicContact CE1-CD2 3.85Å; F398-L417 HydrophobicContact CE2-CB 4.43Å; F398-L417 HydrophobicContact CZ-CB 4.03Å; F398-L417 HydrophobicContact CZ-CD2 4.13Å; F398-C418 WeakPolarHBondContact CE2-O 3.02Å; F398-M441 HydrophobicContact CB-CE 3.66Å; F398-F442 HydrophobicContact CB-CE2 4.18Å; F398-F442 HydrophobicContact CB-CZ 4Å; F398-F442 HydrophobicContact CD2-CE2 4.34Å; F398-F442 HydrophobicContact CD2-CZ 4.17Å; F398-F442 HydrophobicContact CG-CE2 4.43Å; F398-F442 HydrophobicContact CG-CZ 4.02Å; F398-F474 HydrophobicContact CD2-CE2 4.23Å; F398-F474 HydrophobicContact CE2-CE2 4.37Å
399A98.6Very high98.8Very high47 Ų4725.7 Ų25.739%0.38812%0.119SC..G310 helixtrans-59.8-31.4170.300000112.1T396 F397 A401 Y402 M441T396-A399 WeakPolarHBondContact O-CB 3.27Å; T396-A399 PolarHBondContact O-N 3.23Å; F397-A399 PolarHBondContact O-N 3.18Å; A399-A401 PolarHBondContact O-N 3.2Å; A399-Y402 PolarHBondContact O-N 2.9Å; A399-M441 HydrophobicContact CB-SD 4.42Å
400R98.8Very high98.8Very high130 Ų13029 Ų2949%0.49114%0.136SC..G310 helixtrans-64.2-24.4174.3-67.9161.1141.6-116.8-4.7112.7E371 Q372 F397 F398E371-R400 HydrophobicContact CB-CB 4.33Å; E371-R400 WeakPolarHBondContact OE2-CD 3.35Å; E371-R400 IonicContact OE2-CZ 3.25Å; E371-R400 IonicContact OE2-NE 3.28Å; E371-R400 IonicContact OE2-NH1 3.44Å; E371-R400 PolarHBondContact OE2-NH1 3.24Å; Q372-R400 WeakPolarHBondContact CG-O 3.5Å; Q372-R400 PolarHBondContact NE2-O 2.96Å; F397-R400 VanDerWaalsContact O-CB 3.26Å; F397-R400 WeakPolarHBondContact O-CB 3.42Å; F397-R400 PolarHBondContact O-N 3.31Å; F398-R400 PolarHBondContact O-N 2.93Å
401A98.8Very high98.8Very high0 Ų029.4 Ų29.40%014%0.139CC..G310 helixtrans-11116.2-177.700000113.2E371 V375 F398 A399 D403 Q404 L405E371-A401 HydrophobicContact CB-CB 4.23Å; E371-A401 WeakPolarHBondContact O-CB 3.45Å; V375-A401 HydrophobicContact CB-CB 4.24Å; V375-A401 HydrophobicContact CG2-CB 3.68Å; F398-A401 CarbonylContact O-C 3.55Å; F398-A401 PolarHBondContact O-N 3.1Å; A399-A401 PolarHBondContact O-N 3.2Å; A401-D403 VanDerWaalsContact C-N 3.28Å; A401-D403 PolarHBondContact O-N 2.96Å; A401-Q404 WeakPolarHBondContact O-CB 3.46Å; A401-Q404 PolarHBondContact O-N 3.49Å; A401-Q404 PolarHBondContact O-OE1 2.93Å; A401-L405 WeakPolarHBondContact O-CG 3.44Å; A401-L405 PolarHBondContact O-N 3.15Å
402Y98.9Very high98.7Very high92 Ų9235.3 Ų35.336%0.36117%0.167SC..Hα-helixtrans-61.2-36.3-170.2-175.9-149.5000113.2F398 A399 Q404 L405 R406 M441 I445F398-Y402 PolarHBondContact O-N 3.41Å; A399-Y402 PolarHBondContact O-N 2.9Å; Y402-Q404 PolarHBondContact O-N 3.47Å; Y402-L405 HydrophobicContact CD2-CB 4.43Å; Y402-L405 WeakPolarHBondContact O-CB 3.44Å; Y402-L405 PolarHBondContact O-N 3.18Å; Y402-R406 WeakPolarHBondContact O-CB 3.43Å; Y402-R406 PolarHBondContact O-N 3.4Å; Y402-M441 HydrophobicContact CD1-CG 4.15Å; Y402-M441 HydrophobicContact CD1-SD 4.48Å; Y402-M441 HydrophobicContact CD2-CG 3.3Å; Y402-M441 HydrophobicContact CD2-SD 3.73Å; Y402-M441 HydrophobicContact CE1-CG 4.19Å; Y402-M441 HydrophobicContact CE2-CG 3.36Å; Y402-M441 HydrophobicContact CE2-SD 4.41Å; Y402-M441 HydrophobicContact CG-CG 3.74Å; Y402-M441 HydrophobicContact CG-SD 3.79Å; Y402-I445 HydrophobicContact CE2-CD1 4.17Å; Y402-I445 HydrophobicContact CE2-CG1 4.06Å
403D98.9Very high98.7Very high56 Ų5635.8 Ų35.830%0.29917%0.17SC..Hα-helixtrans-68.1-34.5176.2-168.940.2000112.5S128 Q131 A401 R406 M407S128-D403 VanDerWaalsContact CB-OD2 3.29Å; S128-D403 WeakPolarHBondContact CB-OD2 3.35Å; S128-D403 PolarHBondContact OG-OD2 2.8Å; Q131-D403 VanDerWaalsContact NE2-CG 3.31Å; Q131-D403 PolarHBondContact NE2-O 3.38Å; Q131-D403 PolarHBondContact NE2-OD2 3.29Å; A401-D403 VanDerWaalsContact C-N 3.28Å; A401-D403 PolarHBondContact O-N 2.96Å; D403-R406 PolarHBondContact O-N 2.99Å; D403-R406 IonicContact OD1-CZ 3.78Å; D403-R406 VanDerWaalsContact OD1-CZ 3.23Å; D403-R406 IonicContact OD1-NE 3.86Å; D403-R406 PolarHBondContact OD1-NE 3.4Å; D403-R406 IonicContact OD1-NH2 2.9Å; D403-R406 PolarHBondContact OD1-NH2 3.46Å; D403-M407 WeakPolarHBondContact O-CB 3.2Å; D403-M407 VanDerWaalsContact O-CG 3.29Å; D403-M407 WeakPolarHBondContact O-CG 3.34Å; D403-M407 PolarHBondContact O-N 2.91Å
404Q98.9Very high98.6Very high9 Ų938.2 Ų38.24%0.04218%0.183CC..Hα-helixtrans-66.1-39.2171.9-69.973.516.100111.2Q131 V375 S376 A401 Y402 M407 A408Q131-Q404 HydrophobicContact CG-CG 4.24Å; V375-Q404 HydrophobicContact CB-CB 3.94Å; V375-Q404 HydrophobicContact CG1-CB 3.63Å; S376-Q404 WeakPolarHBondContact OG-CG 3.4Å; A401-Q404 WeakPolarHBondContact O-CB 3.46Å; A401-Q404 PolarHBondContact O-N 3.49Å; A401-Q404 PolarHBondContact O-OE1 2.93Å; Y402-Q404 PolarHBondContact O-N 3.47Å; Q404-M407 CarbonylContact O-C 3.57Å; Q404-M407 PolarHBondContact O-N 3.12Å; Q404-A408 WeakPolarHBondContact O-CB 3.21Å; Q404-A408 PolarHBondContact O-N 3.46Å
405L98.8Very high98.6Very high0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-64.7-42.2175.4-63173.9000111.9V375 F398 A401 Y402 A408 A409 L417 M441 F442 I445 L472V375-L405 HydrophobicContact CG1-CD2 3.75Å; V375-L405 HydrophobicContact CG1-CG 4.32Å; V375-L405 HydrophobicContact CG2-CD2 4.01Å; F398-L405 HydrophobicContact CB-CD1 4.13Å; F398-L405 HydrophobicContact CD1-CD1 4.42Å; A401-L405 WeakPolarHBondContact O-CG 3.44Å; A401-L405 PolarHBondContact O-N 3.15Å; Y402-L405 HydrophobicContact CD2-CB 4.43Å; Y402-L405 WeakPolarHBondContact O-CB 3.44Å; Y402-L405 PolarHBondContact O-N 3.18Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 3.43Å; L405-A409 PolarHBondContact O-N 3.38Å; L405-L417 HydrophobicContact CD2-CD1 3.21Å; L405-L417 HydrophobicContact CD2-CD2 4.34Å; L405-L417 HydrophobicContact CD2-CG 4.4Å; L405-M441 HydrophobicContact CD1-CE 4Å; L405-M441 HydrophobicContact CD1-SD 4.48Å; L405-F442 HydrophobicContact CD1-CE1 3.69Å; L405-F442 HydrophobicContact CD1-CZ 3.69Å; L405-F442 HydrophobicContact CD2-CE1 4.19Å; L405-F442 HydrophobicContact CG-CE1 4.49Å; L405-I445 HydrophobicContact CB-CD1 3.72Å; L405-L472 HydrophobicContact CB-CD1 4.33Å; L405-L472 HydrophobicContact CD2-CD1 4.05Å
406R98.8Very high98.6Very high103 Ų10337.6 Ų37.639%0.38918%0.18SC..Hα-helixtrans-61-46.1173.5-174.9-169.767.980.22.2111.1Y402 D403 A408 A409 I410Y402-R406 WeakPolarHBondContact O-CB 3.43Å; Y402-R406 PolarHBondContact O-N 3.4Å; D403-R406 PolarHBondContact O-N 2.99Å; D403-R406 IonicContact OD1-CZ 3.78Å; D403-R406 VanDerWaalsContact OD1-CZ 3.23Å; D403-R406 IonicContact OD1-NE 3.86Å; D403-R406 PolarHBondContact OD1-NE 3.4Å; D403-R406 IonicContact OD1-NH2 2.9Å; D403-R406 PolarHBondContact OD1-NH2 3.46Å; R406-A408 VanDerWaalsContact C-N 3.34Å; R406-A409 PolarHBondContact O-N 3.09Å; R406-I410 HydrophobicContact CG-CD1 4.44Å; R406-I410 WeakPolarHBondContact O-CG1 3.48Å; R406-I410 PolarHBondContact O-N 3.33Å
407M98.8Very high98.6Very high7 Ų736.6 Ų36.63%0.03417%0.174CC..Hα-helixtrans-70.2-27.5178.2-71.9-57.7-59.300112.9A125 D403 Q404 A409 I410 S411A125-M407 VanDerWaalsContact C-CE 3.44Å; A125-M407 HydrophobicContact CB-CE 3.6Å; A125-M407 WeakPolarHBondContact O-CE 3.35Å; D403-M407 WeakPolarHBondContact O-CB 3.2Å; D403-M407 VanDerWaalsContact O-CG 3.29Å; D403-M407 WeakPolarHBondContact O-CG 3.34Å; D403-M407 PolarHBondContact O-N 2.91Å; Q404-M407 CarbonylContact O-C 3.57Å; Q404-M407 PolarHBondContact O-N 3.12Å; M407-A409 VanDerWaalsContact C-N 3.33Å; M407-A409 PolarHBondContact O-N 2.91Å; M407-I410 PolarHBondContact O-N 3.01Å; M407-I410 HydrophobicContact SD-CD1 3.74Å; M407-S411 VanDerWaalsContact O-CB 3.28Å; M407-S411 WeakPolarHBondContact O-CB 3.45Å; M407-S411 PolarHBondContact O-N 3.31Å; M407-S411 PolarHBondContact O-OG 3.31Å
408A98.8Very high98.7Very high0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-60.8-42.6171.100000111.3I379 Q404 L405 R406 S411 E412 S413 I415 L472I379-A408 HydrophobicContact CD1-CB 3.58Å; I379-A408 HydrophobicContact CG1-CB 3.83Å; Q404-A408 WeakPolarHBondContact O-CB 3.21Å; Q404-A408 PolarHBondContact O-N 3.46Å; L405-A408 WeakPolarHBondContact O-CB 3.37Å; L405-A408 PolarHBondContact O-N 3.43Å; R406-A408 VanDerWaalsContact C-N 3.34Å; A408-S411 CarbonylContact O-C 3.51Å; A408-S411 WeakPolarHBondContact O-CB 3.4Å; A408-S411 PolarHBondContact O-N 2.97Å; A408-E412 PolarHBondContact O-N 2.77Å; A408-S413 VanDerWaalsContact O-CB 3.29Å; A408-S413 WeakPolarHBondContact O-CB 3.49Å; A408-S413 PolarHBondContact O-N 3.41Å; A408-I415 HydrophobicContact CB-CD1 3.89Å; A408-L472 HydrophobicContact CB-CD1 4.31Å
409A98.6Very high98.7Very high9 Ų934.4 Ų34.47%0.07416%0.164CC..Hα-helixtrans-66.7-41.4176.500000112.4L405 R406 M407 S411 E412 I445 T447L405-A409 PolarHBondContact O-N 3.38Å; R406-A409 PolarHBondContact O-N 3.09Å; M407-A409 VanDerWaalsContact C-N 3.33Å; M407-A409 PolarHBondContact O-N 2.91Å; A409-S411 PolarHBondContact O-N 2.83Å; A409-E412 PolarHBondContact O-N 3.39Å; A409-I445 HydrophobicContact CB-CG2 3.52Å; A409-T447 HydrophobicContact CB-CG2 4.46Å; A409-T447 VanDerWaalsContact CB-OG1 3.31Å; A409-T447 WeakPolarHBondContact CB-OG1 3.45Å
410I98.6Very high98.7Very high69 Ų6932.1 Ų32.135%0.35415%0.146SC..Hα-helixtrans-65.3-30173.9-62.9167.1000111.1V116 A125 R406 M407 E412V116-I410 HydrophobicContact CG1-CG2 4.02Å; A125-I410 HydrophobicContact CB-CB 4.34Å; A125-I410 HydrophobicContact CB-CG2 3.66Å; R406-I410 HydrophobicContact CG-CD1 4.44Å; R406-I410 WeakPolarHBondContact O-CG1 3.48Å; R406-I410 PolarHBondContact O-N 3.33Å; M407-I410 PolarHBondContact O-N 3.01Å; M407-I410 HydrophobicContact SD-CD1 3.74Å; I410-E412 PolarHBondContact O-N 2.98Å
411S98.6Very high98.7Very high8 Ų826.1 Ų26.16%0.05612%0.123CC..THydrogen-bonded Turntrans-79.53.3173.5-55.30000113.3P117 A125 M407 A408 A409 S413P117-S411 WeakPolarHBondContact CG-O 3.21Å; A125-S411 PolarHBondContact N-OG 2.81Å; M407-S411 VanDerWaalsContact O-CB 3.28Å; M407-S411 WeakPolarHBondContact O-CB 3.45Å; M407-S411 PolarHBondContact O-N 3.31Å; M407-S411 PolarHBondContact O-OG 3.31Å; A408-S411 CarbonylContact O-C 3.51Å; A408-S411 WeakPolarHBondContact O-CB 3.4Å; A408-S411 PolarHBondContact O-N 2.97Å; A409-S411 PolarHBondContact O-N 2.83Å; S411-S413 PolarHBondContact O-N 2.82Å
412E98Very high98.6Very high125 Ų12526.1 Ų26.158%0.58412%0.123SC*.THydrogen-bonded Turntrans52.231.7-176.4-57.8177.617800112.6A408 A409 I410A408-E412 PolarHBondContact O-N 2.77Å; A409-E412 PolarHBondContact O-N 3.39Å; I410-E412 PolarHBondContact O-N 2.98Å
413S98.2Very high98.6Very high10 Ų1021.8 Ų21.87%0.0711%0.106CC..  trans-75140.8-172.5-173.30000111.9A408 S411 G471A408-S413 VanDerWaalsContact O-CB 3.29Å; A408-S413 WeakPolarHBondContact O-CB 3.49Å; A408-S413 PolarHBondContact O-N 3.41Å; S411-S413 PolarHBondContact O-N 2.82Å; S413-G471 CarbonylContact O-C 3.57Å; S413-G471 WeakPolarHBondContact O-CA 3.18Å
414N97.6Very high98.6Very high51 Ų5119.1 Ų19.127%0.2739%0.092SC..  trans-99.690.6174.1-57.2-52.4000109.6A382 K470 G471A382-N414 WeakPolarHBondContact CB-O 3.46Å; N414-K470 WeakPolarHBondContact OD1-CA 3.23Å; N414-K470 WeakPolarHBondContact OD1-CB 3.33Å; N414-G471 WeakPolarHBondContact CA-O 2.91Å; N414-G471 PolarHBondContact OD1-N 2.9Å
415I98.6Very high98.6Very high0 Ų018.7 Ų18.70%09%0.09CC..EExtended strand (participates in β ladder)trans-130.7145.8179.756.3170.5000111V375 A378 I379 A382 V389 A408 L417 G471 L472 C473V375-I415 HydrophobicContact CG1-CD1 4.37Å; A378-I415 HydrophobicContact CB-CG2 4.35Å; I379-I415 HydrophobicContact CG1-CD1 4.06Å; A382-I415 HydrophobicContact CB-CG2 3.88Å; V389-I415 HydrophobicContact CB-CG2 4.37Å; A408-I415 HydrophobicContact CB-CD1 3.89Å; I415-L417 HydrophobicContact CD1-CD1 4.48Å; I415-L417 HydrophobicContact CD1-CD2 4.35Å; I415-G471 PolarHBondContact N-O 3.23Å; I415-L472 HydrophobicContact CD1-CD1 4.41Å; I415-L472 HydrophobicContact CG1-CG 4.41Å; I415-L472 WeakPolarHBondContact O-CA 3.45Å; I415-C473 PolarHBondContact O-N 3.06Å
416N98.9Very high98.5Very high6 Ų618.7 Ų18.73%0.0329%0.09CC..EExtended strand (participates in β ladder)trans-110.6135.1178.4-50.9-75.9000109.6V389 F390 A391 A466 C473V389-N416 VanDerWaalsContact O-CB 3.27Å; V389-N416 WeakPolarHBondContact O-CB 3.16Å; V389-N416 PolarHBondContact O-N 3.39Å; V389-N416 PolarHBondContact O-ND2 3.27Å; F390-N416 CarbonylContact C-O 3.6Å; F390-N416 VanDerWaalsContact CA-O 3.28Å; F390-N416 WeakPolarHBondContact CA-O 3.44Å; F390-N416 HydrophobicContact CD1-CB 3.34Å; F390-N416 HydrophobicContact CD2-CB 4.36Å; F390-N416 HydrophobicContact CE1-CB 3.42Å; F390-N416 VanDerWaalsContact CE1-CB 3.42Å; F390-N416 HydrophobicContact CE2-CB 4.43Å; F390-N416 HydrophobicContact CG-CB 3.84Å; F390-N416 HydrophobicContact CZ-CB 3.99Å; A391-N416 PolarHBondContact N-O 3.49Å; N416-A466 WeakPolarHBondContact OD1-CB 3.41Å; N416-A466 PolarHBondContact OD1-O 3.32Å; N416-C473 CarbonylContact C-O 3.52Å; N416-C473 WeakPolarHBondContact CA-O 3.43Å; N416-C473 HydrophobicContact CB-CB 4.48Å; N416-C473 WeakPolarHBondContact OD1-CB 3.23Å
417L98.9Very high98.5Very high0 Ų013.8 Ų13.80%07%0.071CC..EExtended strand (participates in β ladder)trans-129.3126.6-172.4-58.7167.6000108.6A391 F398 L405 I415 F442 L472 C473 F474 I475A391-L417 HydrophobicContact CB-CD2 4Å; A391-L417 CarbonylContact O-C 3.57Å; A391-L417 WeakPolarHBondContact O-CA 3.43Å; F398-L417 HydrophobicContact CE1-CB 4.43Å; F398-L417 HydrophobicContact CE1-CD2 3.85Å; F398-L417 HydrophobicContact CE2-CB 4.43Å; F398-L417 HydrophobicContact CZ-CB 4.03Å; F398-L417 HydrophobicContact CZ-CD2 4.13Å; L405-L417 HydrophobicContact CD2-CD1 3.21Å; L405-L417 HydrophobicContact CD2-CD2 4.34Å; L405-L417 HydrophobicContact CD2-CG 4.4Å; I415-L417 HydrophobicContact CD1-CD1 4.48Å; I415-L417 HydrophobicContact CD1-CD2 4.35Å; L417-F442 HydrophobicContact CD1-CE1 3.58Å; L417-F442 HydrophobicContact CD1-CZ 4.05Å; L417-L472 HydrophobicContact CD1-CD1 3.94Å; L417-L472 HydrophobicContact CD1-CD2 3.8Å; L417-L472 HydrophobicContact CD1-CG 3.81Å; L417-C473 PolarHBondContact N-O 3.11Å; L417-F474 HydrophobicContact CB-CD2 4.21Å; L417-F474 CarbonylContact O-C 3.57Å; L417-F474 WeakPolarHBondContact O-CA 3.41Å; L417-I475 PolarHBondContact O-N 3.36Å
418C98.9Very high98.5Very high0 Ų018 Ų180%09%0.091CC..EExtended strand (participates in β ladder)trans-113.5112.6174178.60000110.4Y326 A391 S392 T393 F398 I475Y326-C418 HydrophobicContact CD1-CB 4.16Å; Y326-C418 VanDerWaalsContact CD1-SG 3.55Å; Y326-C418 HydrophobicContact CD2-CB 3.99Å; Y326-C418 HydrophobicContact CE1-CB 3.58Å; Y326-C418 VanDerWaalsContact CE1-SG 3.6Å; Y326-C418 HydrophobicContact CE2-CB 3.42Å; Y326-C418 VanDerWaalsContact CE2-CB 3.42Å; Y326-C418 HydrophobicContact CG-CB 4.32Å; Y326-C418 VanDerWaalsContact CG-SG 3.6Å; Y326-C418 VanDerWaalsContact OH-CB 3.25Å; Y326-C418 WeakPolarHBondContact OH-CB 3.29Å; A391-C418 PolarHBondContact O-N 2.67Å; S392-C418 WeakPolarHBondContact CA-O 3.4Å; T393-C418 PolarHBondContact N-O 3.11Å; F398-C418 WeakPolarHBondContact CE2-O 3.02Å; C418-I475 WeakPolarHBondContact CA-O 3.48Å
419G98.9Very high98.4Very high0 Ų021.8 Ų21.80%011%0.111CC..EExtended strand (participates in β ladder)trans-96109.6173.400000109.7I475 T477G419-I475 PolarHBondContact N-O 3.29Å; G419-T477 PolarHBondContact O-N 2.79Å; G419-T477 PolarHBondContact O-OG1 3.48Å
420S98.8Very high98.4Very high0 Ų021.4 Ų21.40%011%0.108CC..EExtended strand (participates in β ladder)trans-84.7179.5172.669.60000111.9T393 F394 A395 C422 T477T393-S420 PolarHBondContact O-N 3.36Å; T393-S420 PolarHBondContact O-OG 3.43Å; F394-S420 CarbonylContact C-O 3.45Å; F394-S420 WeakPolarHBondContact CA-O 3.41Å; F394-S420 WeakPolarHBondContact CD1-OG 3.23Å; A395-S420 WeakPolarHBondContact CB-O 3.34Å; A395-S420 PolarHBondContact N-O 3.49Å; S420-C422 VanDerWaalsContact C-N 3.27Å; S420-C422 PolarHBondContact O-N 3.31Å; S420-T477 CarbonylContact C-O 3.59Å; S420-T477 WeakPolarHBondContact CA-O 3.37Å; S420-T477 VanDerWaalsContact CA-OG1 3.25Å; S420-T477 WeakPolarHBondContact CA-OG1 3.41Å; S420-T477 WeakPolarHBondContact CB-OG1 3.39Å
421H98.6Very high98.4Very high4 Ų420.5 Ų20.52%0.01911%0.106CC..SBendtrans55.641.9173-61.171.2000113R323 F394 V426 G435 T477R323-H421 PolarHBondContact NH1-CE1 3.05Å; R323-H421 PolarHBondContact NH1-NE2 2.96Å; F394-H421 HydrophobicContact CB-CB 4.28Å; F394-H421 HydrophobicContact CD1-CB 4.45Å; F394-H421 AromaticContact CD1-ND1 3.52Å; F394-H421 HydrophobicContact CD2-CB 3.71Å; F394-H421 AromaticContact CD2-CG 3.68Å; F394-H421 AromaticContact CE1-CE1 3.42Å; F394-H421 VanDerWaalsContact CE1-CE1 3.42Å; F394-H421 WeakPolarHBondContact CE1-CE1 3.47Å; F394-H421 AromaticContact CE1-CG 3.99Å; F394-H421 AromaticContact CE1-ND1 3.4Å; F394-H421 WeakPolarHBondContact CE1-ND1 3.39Å; F394-H421 HydrophobicContact CE2-CB 4.13Å; F394-H421 AromaticContact CE2-CD2 3.59Å; F394-H421 AromaticContact CE2-CG 3.61Å; F394-H421 AromaticContact CE2-ND1 3.9Å; F394-H421 AromaticContact CE2-NE2 3.96Å; F394-H421 HydrophobicContact CG-CB 3.9Å; F394-H421 AromaticContact CG-CG 3.89Å; F394-H421 AromaticContact CG-ND1 3.86Å; F394-H421 AromaticContact CZ-CD2 3.71Å; F394-H421 AromaticContact CZ-CE1 3.43Å; F394-H421 VanDerWaalsContact CZ-CE1 3.43Å; F394-H421 WeakPolarHBondContact CZ-CE1 3.1Å; F394-H421 AromaticContact CZ-CG 3.78Å; F394-H421 AromaticContact CZ-ND1 3.6Å; F394-H421 AromaticContact CZ-NE2 3.57Å; H421-V426 HydrophobicContact CB-CG2 3.63Å; H421-V426 WeakPolarHBondContact O-CG2 3.29Å; H421-G435 PolarHBondContact O-N 2.88Å; H421-T477 PolarHBondContact N-O 2.91Å
422C98.1Very high98.3Very high0 Ų023.6 Ų23.60%013%0.128CC..BIsolated β-bridgetrans-75142.5175.873.10000111.9S420 S425 R476 T477 S478S420-C422 VanDerWaalsContact C-N 3.27Å; S420-C422 PolarHBondContact O-N 3.31Å; C422-S425 PolarHBondContact O-OG 3.07Å; C422-R476 HydrophobicContact CB-CG 3.62Å; C422-T477 PolarHBondContact N-O 3.11Å; C422-T477 PolarHBondContact SG-O 3.37Å; C422-T477 VanDerWaalsContact SG-O 3.4Å; C422-S478 PolarHBondContact SG-OG 2.94Å
423G98.8Very high98.4Very high0 Ų020 Ų200%011%0.111CC..SBendtrans72.3179.7169.300000116.6S425 V426 M434 G435 D566G423-S425 PolarHBondContact O-N 2.8Å; G423-V426 VanDerWaalsContact O-CG2 3.32Å; G423-V426 WeakPolarHBondContact O-CG2 3.5Å; G423-V426 PolarHBondContact O-N 3.38Å; G423-M434 VanDerWaalsContact O-CG 3.31Å; G423-M434 WeakPolarHBondContact O-CG 3.19Å; G423-G435 PolarHBondContact N-O 3.32Å; G423-D566 WeakPolarHBondContact CA-OD1 3.26Å; G423-D566 WeakPolarHBondContact CA-OD2 3.33Å
424V98.8Very high98.4Very high0 Ų019.6 Ų19.60%011%0.108CC..G310 helixtrans-69.2-19.3178.6-53.10000112.8V426 G427 M434 L436 D566 V594 P598 L606 L607 F610 I612V424-V426 PolarHBondContact O-N 3.09Å; V424-G427 PolarHBondContact O-N 2.96Å; V424-M434 HydrophobicContact CB-CE 4.37Å; V424-M434 HydrophobicContact CB-SD 4.16Å; V424-M434 HydrophobicContact CG1-SD 4Å; V424-L436 HydrophobicContact CG1-CD1 4.39Å; V424-L436 HydrophobicContact CG1-CD2 4.25Å; V424-D566 WeakPolarHBondContact CG2-OD1 3.32Å; V424-D566 VanDerWaalsContact N-CG 3.31Å; V424-D566 PolarHBondContact N-OD1 2.83Å; V424-D566 PolarHBondContact N-OD2 3.35Å; V424-V594 HydrophobicContact CG1-CG1 4.28Å; V424-V594 HydrophobicContact CG1-CG2 3.97Å; V424-P598 HydrophobicContact CG1-CB 3.77Å; V424-P598 HydrophobicContact CG1-CG 3.44Å; V424-P598 VanDerWaalsContact CG1-CG 3.44Å; V424-L606 HydrophobicContact CB-CB 3.96Å; V424-L606 HydrophobicContact CB-CD1 4.36Å; V424-L606 HydrophobicContact CG2-CB 3.84Å; V424-L606 VanDerWaalsContact O-CD1 3.3Å; V424-L606 WeakPolarHBondContact O-CD1 3.27Å; V424-L607 HydrophobicContact CG2-CD2 3.99Å; V424-F610 HydrophobicContact CB-CD2 4.31Å; V424-F610 HydrophobicContact CG1-CD2 3.91Å; V424-F610 HydrophobicContact CG1-CE2 4.32Å; V424-F610 HydrophobicContact CG1-CG 4.5Å; V424-F610 HydrophobicContact CG2-CD2 4.23Å; V424-I612 HydrophobicContact CG2-CD1 4.19Å
425S98.5Very high98.4Very high0 Ų017.1 Ų17.10%010%0.095CC..G310 helixtrans-63.1-6.6175.2620000114.2C422 G423 G427 P480 D566 P603C422-S425 PolarHBondContact O-OG 3.07Å; G423-S425 PolarHBondContact O-N 2.8Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.02Å; S425-P480 VanDerWaalsContact O-CG 3.32Å; S425-P480 WeakPolarHBondContact O-CG 3.16Å; S425-D566 VanDerWaalsContact CB-OD2 3.22Å; S425-D566 WeakPolarHBondContact CB-OD2 3.16Å; S425-D566 PolarHBondContact N-OD2 3.22Å; S425-D566 PolarHBondContact OG-OD2 2.89Å; S425-P603 WeakPolarHBondContact O-CB 3.47Å; S425-P603 WeakPolarHBondContact O-CG 3.33Å
426V97.8Very high98.4Very high0 Ų017.2 Ų17.20%010%0.096CC..G310 helixtrans-55.4-42.8163.8172.20000111.5H421 G423 V424 D429 Q433 M434 R479H421-V426 HydrophobicContact CB-CG2 3.63Å; H421-V426 WeakPolarHBondContact O-CG2 3.29Å; G423-V426 VanDerWaalsContact O-CG2 3.32Å; G423-V426 WeakPolarHBondContact O-CG2 3.5Å; G423-V426 PolarHBondContact O-N 3.38Å; V424-V426 PolarHBondContact O-N 3.09Å; V426-D429 HydrophobicContact CG1-CB 4.16Å; V426-Q433 HydrophobicContact CG1-CB 4.46Å; V426-M434 HydrophobicContact CB-CG 4.25Å; V426-R479 WeakPolarHBondContact O-CD 3.45Å; V426-R479 PolarHBondContact O-NH1 2.96Å
427G98.4Very high98.4Very high0 Ų020.9 Ų20.90%011%0.113CC..  trans92.2-119.6177.700000113.9V424 S425 D429 G430 M434 G601V424-G427 PolarHBondContact O-N 2.96Å; S425-G427 VanDerWaalsContact C-N 3.26Å; S425-G427 PolarHBondContact O-N 3.02Å; G427-D429 PolarHBondContact O-N 3.27Å; G427-G430 PolarHBondContact O-N 3.09Å; G427-M434 WeakPolarHBondContact O-CE 3.41Å; G427-G601 CarbonylContact C-O 3.44Å; G427-G601 WeakPolarHBondContact CA-O 3.39Å
428E98.1Very high98.4Very high95 Ų9521 Ų2144%0.44411%0.113SC..THydrogen-bonded Turntrans-71.1-25.1-157.6-64.984.2172.800114.6G430 R479 S600 G601E428-G430 PolarHBondContact O-N 3.12Å; E428-R479 IonicContact OE2-NH1 2.83Å; E428-S600 WeakPolarHBondContact O-CB 3.38Å; E428-S600 PolarHBondContact O-OG 3.21Å; E428-G601 PolarHBondContact N-O 3.22Å
429D96.9Very high98.4Very high81 Ų8121 Ų2143%0.43311%0.113SC..THydrogen-bonded Turntrans-62.9-24179.3-67.3-21.2000112.5V426 G427 Q433V426-D429 HydrophobicContact CG1-CB 4.16Å; G427-D429 PolarHBondContact O-N 3.27Å; D429-Q433 HydrophobicContact CB-CB 3.95Å; D429-Q433 HydrophobicContact CB-CG 3.96Å; D429-Q433 PolarHBondContact O-OE1 3.03Å
430G98.2Very high98.4Very high0 Ų022.3 Ų22.30%012%0.124CC..  trans79.2-173.1176.700000114G427 E428 S432 Q433 M434 S600G427-G430 PolarHBondContact O-N 3.09Å; E428-G430 PolarHBondContact O-N 3.12Å; G430-S432 VanDerWaalsContact C-N 3.26Å; G430-S432 PolarHBondContact O-N 3.18Å; G430-S432 VanDerWaalsContact O-N 3.13Å; G430-Q433 PolarHBondContact O-N 3.21Å; G430-M434 WeakPolarHBondContact O-CG 3.38Å; G430-S600 WeakPolarHBondContact CA-OG 3.31Å
431P98.1Very high98.4Very high50 Ų5023 Ų2333%0.32513%0.128SC..THydrogen-bonded Turntrans-66.1-21.1-161.726.2-36.4000114.7Q433 M434 V597 P598P431-Q433 PolarHBondContact O-N 3.04Å; P431-M434 PolarHBondContact O-N 2.98Å; P431-V597 HydrophobicContact CB-CG1 3.92Å; P431-V597 HydrophobicContact CG-CG1 4.2Å; P431-P598 WeakPolarHBondContact CG-O 3.47Å
432S98.2Very high98.4Very high74 Ų7422.9 Ų22.952%0.51713%0.127SC..THydrogen-bonded Turntrans-66.8-18.7177.639.10000114.2G430G430-S432 VanDerWaalsContact C-N 3.26Å; G430-S432 PolarHBondContact O-N 3.18Å; G430-S432 VanDerWaalsContact O-N 3.13Å
433Q98.3Very high98.5Very high48 Ų4825.8 Ų25.822%0.22414%0.138CC..THydrogen-bonded Turntrans-108.7-9-179.9-76.572.116.400112.3F394 T396 F397 V426 D429 G430 P431 G435F394-Q433 HydrophobicContact CD2-CB 4.2Å; F394-Q433 HydrophobicContact CD2-CG 4.12Å; F394-Q433 HydrophobicContact CE2-CB 4.35Å; F394-Q433 HydrophobicContact CE2-CG 4.02Å; T396-Q433 WeakPolarHBondContact CG2-O 3.35Å; F397-Q433 HydrophobicContact CZ-CG 4.45Å; V426-Q433 HydrophobicContact CG1-CB 4.46Å; D429-Q433 HydrophobicContact CB-CB 3.95Å; D429-Q433 HydrophobicContact CB-CG 3.96Å; D429-Q433 PolarHBondContact O-OE1 3.03Å; G430-Q433 PolarHBondContact O-N 3.21Å; P431-Q433 PolarHBondContact O-N 3.04Å; Q433-G435 PolarHBondContact O-N 2.83Å
434M98.7Very high98.5Very high2 Ų228.9 Ų28.91%0.0116%0.163CC..  trans-84.5110.6-175-64.6171.2177.300110.1G423 V424 V426 G427 G430 P431 L436 P598 L606G423-M434 VanDerWaalsContact O-CG 3.31Å; G423-M434 WeakPolarHBondContact O-CG 3.19Å; V424-M434 HydrophobicContact CB-CE 4.37Å; V424-M434 HydrophobicContact CB-SD 4.16Å; V424-M434 HydrophobicContact CG1-SD 4Å; V426-M434 HydrophobicContact CB-CG 4.25Å; G427-M434 WeakPolarHBondContact O-CE 3.41Å; G430-M434 WeakPolarHBondContact O-CG 3.38Å; P431-M434 PolarHBondContact O-N 2.98Å; M434-L436 HydrophobicContact CB-CD1 3.84Å; M434-L436 HydrophobicContact CB-CG 4.1Å; M434-L436 PolarHBondContact O-N 2.94Å; M434-L436 VanDerWaalsContact O-N 3.15Å; M434-P598 HydrophobicContact SD-CB 3.66Å; M434-P598 HydrophobicContact SD-CG 4.07Å; M434-L606 HydrophobicContact CE-CD1 3.67Å
435G98.2Very high98.5Very high0 Ų029 Ų290%016%0.164CC..BIsolated β-bridgetrans-71.5104.1170.200000110.7H421 G423 Q433 D438 R476H421-G435 PolarHBondContact O-N 2.88Å; G423-G435 PolarHBondContact N-O 3.32Å; Q433-G435 PolarHBondContact O-N 2.83Å; G435-D438 VanDerWaalsContact O-OD1 3.09Å; G435-R476 PolarHBondContact O-NH2 2.95Å
436L98.9Very high98.4Very high1 Ų134.3 Ų34.31%0.00520%0.199CC..SBendtrans-122.2-6.3-175.4-72.3163.5000113.7V424 M434 H567 Y568 V594 P598V424-L436 HydrophobicContact CG1-CD1 4.39Å; V424-L436 HydrophobicContact CG1-CD2 4.25Å; M434-L436 HydrophobicContact CB-CD1 3.84Å; M434-L436 HydrophobicContact CB-CG 4.1Å; M434-L436 PolarHBondContact O-N 2.94Å; M434-L436 VanDerWaalsContact O-N 3.15Å; L436-H567 VanDerWaalsContact C-CD2 3.42Å; L436-H567 PolarHBondContact O-CD2 2.81Å; L436-H567 PolarHBondContact O-CE1 2.82Å; L436-H567 PolarHBondContact O-ND1 2.92Å; L436-H567 PolarHBondContact O-NE2 2.97Å; L436-H567 VanDerWaalsContact O-NE2 3.09Å; L436-Y568 HydrophobicContact CB-CD1 4.38Å; L436-Y568 HydrophobicContact CB-CD2 3.58Å; L436-Y568 HydrophobicContact CB-CE1 4.23Å; L436-Y568 HydrophobicContact CB-CE2 3.39Å; L436-Y568 HydrophobicContact CB-CG 4.07Å; L436-Y568 HydrophobicContact CD1-CE1 4.12Å; L436-Y568 HydrophobicContact CD1-CE2 4.33Å; L436-Y568 HydrophobicContact CG-CE2 4.49Å; L436-Y568 WeakPolarHBondContact O-CB 3.41Å; L436-Y568 WeakPolarHBondContact O-CD2 3.37Å; L436-Y568 PolarHBondContact O-N 3.39Å; L436-V594 HydrophobicContact CD2-CB 4.18Å; L436-V594 HydrophobicContact CD2-CG1 4.38Å; L436-V594 HydrophobicContact CD2-CG2 3.87Å; L436-P598 HydrophobicContact CD1-CG 3.49Å; L436-P598 VanDerWaalsContact CD1-CG 3.49Å
437E98.8Very high98.4Very high83 Ų8336.9 Ų36.939%0.38821%0.214SC..SBendtrans-122.45.5176.362.3-92.1-124.400112.3A440 M441 H567 Y568E437-A440 WeakPolarHBondContact O-CB 3.46Å; E437-A440 PolarHBondContact O-N 2.86Å; E437-M441 WeakPolarHBondContact O-CB 3.41Å; E437-M441 PolarHBondContact O-N 2.86Å; E437-H567 VanDerWaalsContact C-NE2 3.3Å; E437-H567 VanDerWaalsContact CA-NE2 3.31Å; E437-H567 WeakPolarHBondContact CA-NE2 3.39Å; E437-Y568 HydrophobicContact CB-CD2 4.39Å
438D98.9Very high98.5Very high2 Ų237.1 Ų37.11%0.01122%0.216CC..Hα-helixtrans-67.9-39.1-17463.4-58.1000112.3A395 G435 A440 M441 F442 F474 R476 H567A395-D438 HydrophobicContact CB-CB 4.05Å; G435-D438 VanDerWaalsContact O-OD1 3.09Å; D438-A440 VanDerWaalsContact C-N 3.34Å; D438-A440 PolarHBondContact O-N 3.39Å; D438-M441 PolarHBondContact O-N 3.26Å; D438-F442 WeakPolarHBondContact O-CD2 3.49Å; D438-F442 PolarHBondContact O-N 2.97Å; D438-F474 HydrophobicContact CB-CE1 4.37Å; D438-F474 HydrophobicContact CB-CZ 4.24Å; D438-F474 WeakPolarHBondContact OD2-CE1 3.44Å; D438-F474 WeakPolarHBondContact OD2-CZ 3.45Å; D438-R476 IonicContact OD1-CZ 3.15Å; D438-R476 IonicContact OD1-NE 3.45Å; D438-R476 PolarHBondContact OD1-NE 3.08Å; D438-R476 IonicContact OD1-NH2 2.67Å; D438-R476 PolarHBondContact OD1-NH2 3.49Å; D438-R476 VanDerWaalsContact OD2-CD 3.27Å; D438-R476 WeakPolarHBondContact OD2-CD 3.43Å; D438-R476 WeakPolarHBondContact OD2-CG 3.35Å; D438-R476 IonicContact OD2-CZ 3.8Å; D438-R476 IonicContact OD2-NE 3Å; D438-R476 PolarHBondContact OD2-NE 2.89Å; D438-R476 IonicContact OD2-NH2 2.97Å; D438-H567 PolarHBondContact N-NE2 2.94Å; D438-H567 IonicContact OD1-CD2 2.66Å
439L98.9Very high98.5Very high0 Ų033.3 Ų33.30%020%0.199CC..Hα-helixtrans-64.2-41.9174-62.2177.4000110.7R443 I450 I542 H567L439-R443 WeakPolarHBondContact O-CB 3.34Å; L439-R443 WeakPolarHBondContact O-CG 3.38Å; L439-R443 PolarHBondContact O-N 3.31Å; L439-I450 HydrophobicContact CD2-CG2 3.83Å; L439-I542 HydrophobicContact CD2-CG1 4.09Å; L439-H567 WeakPolarHBondContact CB-NE2 3.35Å; L439-H567 HydrophobicContact CD1-CB 4.27Å; L439-H567 PolarHBondContact N-NE2 3.35Å; L439-H567 VanDerWaalsContact N-NE2 3.19Å
440A98.9Very high98.6Very high28 Ų2829.5 Ų29.523%0.23118%0.179CC..Hα-helixtrans-61.1-49.2176.700000111.6E437 D438 R443 A444 H567 G571E437-A440 WeakPolarHBondContact O-CB 3.46Å; E437-A440 PolarHBondContact O-N 2.86Å; D438-A440 VanDerWaalsContact C-N 3.34Å; D438-A440 PolarHBondContact O-N 3.39Å; A440-R443 PolarHBondContact O-N 2.52Å; A440-A444 PolarHBondContact O-N 3.19Å; A440-H567 PolarHBondContact N-NE2 2.86Å; A440-G571 WeakPolarHBondContact CA-O 3.44Å; A440-G571 PolarHBondContact N-O 2.79Å
441M98.9Very high98.6Very high16 Ų1629.5 Ų29.58%0.07918%0.179CC..Hα-helixtrans-57.2-52.9178.3-177.8-17870.800111.7F398 A399 Y402 L405 E437 D438 A444F398-M441 HydrophobicContact CB-CE 3.66Å; A399-M441 HydrophobicContact CB-SD 4.42Å; Y402-M441 HydrophobicContact CD1-CG 4.15Å; Y402-M441 HydrophobicContact CD1-SD 4.48Å; Y402-M441 HydrophobicContact CD2-CG 3.3Å; Y402-M441 HydrophobicContact CD2-SD 3.73Å; Y402-M441 HydrophobicContact CE1-CG 4.19Å; Y402-M441 HydrophobicContact CE2-CG 3.36Å; Y402-M441 HydrophobicContact CE2-SD 4.41Å; Y402-M441 HydrophobicContact CG-CG 3.74Å; Y402-M441 HydrophobicContact CG-SD 3.79Å; L405-M441 HydrophobicContact CD1-CE 4Å; L405-M441 HydrophobicContact CD1-SD 4.48Å; E437-M441 WeakPolarHBondContact O-CB 3.41Å; E437-M441 PolarHBondContact O-N 2.86Å; D438-M441 PolarHBondContact O-N 3.26Å; M441-A444 PolarHBondContact O-N 3.41Å
442F98.9Very high98.7Very high0 Ų027.2 Ų27.20%016%0.164CC..Hα-helixtrans-71.7-34.4-177.9-77.1-72.6000112.4F398 L405 L417 D438 A444 I445 S448 I450 L472 F474F398-F442 HydrophobicContact CB-CE2 4.18Å; F398-F442 HydrophobicContact CB-CZ 4Å; F398-F442 HydrophobicContact CD2-CE2 4.34Å; F398-F442 HydrophobicContact CD2-CZ 4.17Å; F398-F442 HydrophobicContact CG-CE2 4.43Å; F398-F442 HydrophobicContact CG-CZ 4.02Å; L405-F442 HydrophobicContact CD1-CE1 3.69Å; L405-F442 HydrophobicContact CD1-CZ 3.69Å; L405-F442 HydrophobicContact CD2-CE1 4.19Å; L405-F442 HydrophobicContact CG-CE1 4.49Å; L417-F442 HydrophobicContact CD1-CE1 3.58Å; L417-F442 HydrophobicContact CD1-CZ 4.05Å; D438-F442 WeakPolarHBondContact O-CD2 3.49Å; D438-F442 PolarHBondContact O-N 2.97Å; F442-A444 VanDerWaalsContact C-N 3.26Å; F442-A444 PolarHBondContact O-N 3.21Å; F442-I445 HydrophobicContact CD1-CD1 3.96Å; F442-I445 HydrophobicContact CE1-CD1 4.39Å; F442-I445 WeakPolarHBondContact O-CB 3.39Å; F442-I445 PolarHBondContact O-N 2.9Å; F442-I445 VanDerWaalsContact O-N 3.09Å; F442-S448 VanDerWaalsContact O-CB 3.32Å; F442-S448 WeakPolarHBondContact O-CB 3.49Å; F442-S448 PolarHBondContact O-OG 2.96Å; F442-I450 HydrophobicContact CB-CD1 3.71Å; F442-I450 HydrophobicContact CB-CG1 4.02Å; F442-L472 HydrophobicContact CD1-CD2 3.59Å; F442-L472 HydrophobicContact CE1-CD2 3.76Å; F442-F474 HydrophobicContact CB-CB 4.27Å; F442-F474 HydrophobicContact CB-CD1 4.02Å; F442-F474 HydrophobicContact CB-CG 4.29Å; F442-F474 HydrophobicContact CD1-CB 3.77Å; F442-F474 HydrophobicContact CD1-CD1 4.49Å; F442-F474 HydrophobicContact CD1-CD2 4.34Å; F442-F474 AromaticContact CD1-CG 3.97Å; F442-F474 HydrophobicContact CD1-CG 3.97Å; F442-F474 HydrophobicContact CD2-CB 4.12Å; F442-F474 AromaticContact CD2-CD1 3.34Å; F442-F474 HydrophobicContact CD2-CD1 3.34Å; F442-F474 AromaticContact CD2-CD2 3.65Å; F442-F474 HydrophobicContact CD2-CD2 3.65Å; F442-F474 AromaticContact CD2-CE1 3.52Å; F442-F474 HydrophobicContact CD2-CE1 3.52Å; F442-F474 AromaticContact CD2-CE2 3.81Å; F442-F474 HydrophobicContact CD2-CE2 3.81Å; F442-F474 AromaticContact CD2-CG 3.42Å; F442-F474 HydrophobicContact CD2-CG 3.42Å; F442-F474 VanDerWaalsContact CD2-CG 3.42Å; F442-F474 AromaticContact CD2-CZ 3.76Å; F442-F474 HydrophobicContact CD2-CZ 3.76Å; F442-F474 HydrophobicContact CE1-CB 4.11Å; F442-F474 HydrophobicContact CE1-CD2 4.05Å; F442-F474 HydrophobicContact CE1-CG 4.15Å; F442-F474 HydrophobicContact CE2-CB 4.44Å; F442-F474 AromaticContact CE2-CD1 3.9Å; F442-F474 HydrophobicContact CE2-CD1 3.9Å; F442-F474 AromaticContact CE2-CD2 3.3Å; F442-F474 HydrophobicContact CE2-CD2 3.3Å; F442-F474 AromaticContact CE2-CE1 3.9Å; F442-F474 HydrophobicContact CE2-CE1 3.9Å; F442-F474 AromaticContact CE2-CE2 3.29Å; F442-F474 HydrophobicContact CE2-CE2 3.29Å; F442-F474 AromaticContact CE2-CG 3.62Å; F442-F474 HydrophobicContact CE2-CG 3.62Å; F442-F474 AromaticContact CE2-CZ 3.62Å; F442-F474 HydrophobicContact CE2-CZ 3.62Å; F442-F474 HydrophobicContact CG-CB 3.79Å; F442-F474 AromaticContact CG-CD1 3.7Å; F442-F474 HydrophobicContact CG-CD1 3.7Å; F442-F474 HydrophobicContact CG-CD2 4.18Å; F442-F474 HydrophobicContact CG-CE1 4.33Å; F442-F474 AromaticContact CG-CG 3.62Å; F442-F474 HydrophobicContact CG-CG 3.62Å; F442-F474 HydrophobicContact CZ-CB 4.43Å; F442-F474 AromaticContact CZ-CD2 3.52Å; F442-F474 HydrophobicContact CZ-CD2 3.52Å; F442-F474 AromaticContact CZ-CE2 3.86Å; F442-F474 HydrophobicContact CZ-CE2 3.86Å; F442-F474 AromaticContact CZ-CG 3.98Å; F442-F474 HydrophobicContact CZ-CG 3.98Å
443R98.8Very high98.7Very high62 Ų6223.7 Ų23.723%0.23414%0.139CC..Hα-helixtrans-64-33177.9-78.8175.965.1-98.3-1.4112.4L439 A440 I445 I450 K543 G571L439-R443 WeakPolarHBondContact O-CB 3.34Å; L439-R443 WeakPolarHBondContact O-CG 3.38Å; L439-R443 PolarHBondContact O-N 3.31Å; A440-R443 PolarHBondContact O-N 2.52Å; R443-I445 PolarHBondContact O-N 3.4Å; R443-I450 HydrophobicContact CB-CD1 4.06Å; R443-I450 HydrophobicContact CG-CD1 3.33Å; R443-K543 HydrophobicContact CG-CB 4.45Å; R443-K543 PolarHBondContact O-NZ 2.86Å; R443-G571 VanDerWaalsContact CD-O 3.27Å; R443-G571 WeakPolarHBondContact CD-O 3.33Å; R443-G571 VanDerWaalsContact NH1-C 3.33Å; R443-G571 PolarHBondContact NH1-O 3.16Å
444A98.6Very high98.7Very high64 Ų6421.4 Ų21.453%0.52913%0.128SC..Hα-helixtrans-67.6-20.6176.200000113.2A440 M441 F442 P446A440-A444 PolarHBondContact O-N 3.19Å; M441-A444 PolarHBondContact O-N 3.41Å; F442-A444 VanDerWaalsContact C-N 3.26Å; F442-A444 PolarHBondContact O-N 3.21Å; A444-P446 WeakPolarHBondContact O-CD 3.33Å
445I98.7Very high98.7Very high4 Ų421.3 Ų21.32%0.02113%0.128CC..SBendtrans-76119.6177.9-62.6176.3000109.7Y402 L405 A409 F442 R443 T447 S448 L472 K543Y402-I445 HydrophobicContact CE2-CD1 4.17Å; Y402-I445 HydrophobicContact CE2-CG1 4.06Å; L405-I445 HydrophobicContact CB-CD1 3.72Å; A409-I445 HydrophobicContact CB-CG2 3.52Å; F442-I445 HydrophobicContact CD1-CD1 3.96Å; F442-I445 HydrophobicContact CE1-CD1 4.39Å; F442-I445 WeakPolarHBondContact O-CB 3.39Å; F442-I445 PolarHBondContact O-N 2.9Å; F442-I445 VanDerWaalsContact O-N 3.09Å; R443-I445 PolarHBondContact O-N 3.4Å; I445-T447 PolarHBondContact O-N 2.82Å; I445-S448 WeakPolarHBondContact O-CB 3.5Å; I445-S448 PolarHBondContact O-N 2.53Å; I445-S448 PolarHBondContact O-OG 2.88Å; I445-L472 HydrophobicContact CD1-CD1 4.15Å; I445-L472 HydrophobicContact CD1-CD2 4.46Å; I445-L472 HydrophobicContact CG2-CD1 4.38Å; I445-K543 PolarHBondContact O-NZ 2.84Å
446P97.9Very high98.7Very high111 Ų11121.3 Ų21.372%0.72113%0.128SC*.THydrogen-bonded Turntrans-58.7-43.3-168.8-28.436000115A444 S448 K543A444-P446 WeakPolarHBondContact O-CD 3.33Å; P446-S448 VanDerWaalsContact C-N 3.27Å; P446-S448 PolarHBondContact O-N 2.73Å; P446-K543 PolarHBondContact O-NZ 2.9Å
447T98.2Very high98.7Very high54 Ų5421.2 Ų21.233%0.33113%0.128SC..THydrogen-bonded Turntrans-86.810.1-175.359.50000113.6A409 I445 L472A409-T447 HydrophobicContact CB-CG2 4.46Å; A409-T447 VanDerWaalsContact CB-OG1 3.31Å; A409-T447 WeakPolarHBondContact CB-OG1 3.45Å; I445-T447 PolarHBondContact O-N 2.82Å; T447-L472 PolarHBondContact O-N 3.06Å
448S98.7Very high98.7Very high5 Ų517.3 Ų17.34%0.03511%0.109CC..EExtended strand (participates in β ladder)trans-77.9139-171.871.10000113.5F442 I445 P446 L472 K543F442-S448 VanDerWaalsContact O-CB 3.32Å; F442-S448 WeakPolarHBondContact O-CB 3.49Å; F442-S448 PolarHBondContact O-OG 2.96Å; I445-S448 WeakPolarHBondContact O-CB 3.5Å; I445-S448 PolarHBondContact O-N 2.53Å; I445-S448 PolarHBondContact O-OG 2.88Å; P446-S448 VanDerWaalsContact C-N 3.27Å; P446-S448 PolarHBondContact O-N 2.73Å; S448-L472 CarbonylContact C-O 3.54Å; S448-L472 WeakPolarHBondContact CA-O 3.42Å; S448-K543 WeakPolarHBondContact O-CE 3.25Å; S448-K543 WeakPolarHBondContact OG-CD 3.5Å; S448-K543 VanDerWaalsContact OG-CE 3.31Å; S448-K543 WeakPolarHBondContact OG-CE 3.38Å; S448-K543 PolarHBondContact OG-NZ 2.84Å
449T98.9Very high98.7Very high15 Ų1517.2 Ų17.29%0.09211%0.109CC..EExtended strand (participates in β ladder)trans-110129.8158.3-59.70000108.9F451 T469 L472 C473 F474 V494 K543T449-F451 HydrophobicContact CG2-CD2 4.2Å; T449-F451 HydrophobicContact CG2-CE1 4.39Å; T449-F451 HydrophobicContact CG2-CE2 3.56Å; T449-F451 HydrophobicContact CG2-CZ 3.67Å; T449-T469 HydrophobicContact CG2-CG2 4.48Å; T449-L472 PolarHBondContact N-O 3.36Å; T449-C473 CarbonylContact O-C 3.57Å; T449-C473 WeakPolarHBondContact O-CA 3.37Å; T449-F474 PolarHBondContact O-N 3.19Å; T449-V494 HydrophobicContact CG2-CG1 3.71Å; T449-V494 HydrophobicContact CG2-CG2 4.31Å; T449-K543 CarbonylContact C-O 3.59Å; T449-K543 WeakPolarHBondContact CA-O 3.39Å
450I98.9Very high98.7Very high0 Ų017.5 Ų17.50%011%0.11CC..EExtended strand (participates in β ladder)trans-119.1108.5-173.7-59.8168.6000109.4L439 F442 R443 F474 T541 I542 K543L439-I450 HydrophobicContact CD2-CG2 3.83Å; F442-I450 HydrophobicContact CB-CD1 3.71Å; F442-I450 HydrophobicContact CB-CG1 4.02Å; R443-I450 HydrophobicContact CB-CD1 4.06Å; R443-I450 HydrophobicContact CG-CD1 3.33Å; I450-F474 CarbonylContact C-O 3.55Å; I450-F474 WeakPolarHBondContact CA-O 3.32Å; I450-F474 HydrophobicContact CG1-CB 4.41Å; I450-F474 HydrophobicContact CG2-CD1 4Å; I450-T541 CarbonylContact O-C 3.49Å; I450-T541 WeakPolarHBondContact O-CA 3.33Å; I450-T541 WeakPolarHBondContact O-CB 3.27Å; I450-I542 HydrophobicContact CB-CB 4.33Å; I450-I542 HydrophobicContact CG2-CB 3.97Å; I450-I542 HydrophobicContact CG2-CG1 4.17Å; I450-I542 PolarHBondContact O-N 2.91Å; I450-K543 HydrophobicContact CB-CB 4.21Å; I450-K543 HydrophobicContact CD1-CB 3.95Å; I450-K543 HydrophobicContact CD1-CD 4.43Å; I450-K543 HydrophobicContact CG1-CB 4.19Å; I450-K543 PolarHBondContact N-O 3.1Å
451F98.9Very high98.7Very high0 Ų018 Ų180%011%0.107CC..EExtended strand (participates in β ladder)trans-90.5133171.2-56.8-89.6000109.3T449 A462 L465 A466 C473 F474 I475 R476 V494 F540 T541T449-F451 HydrophobicContact CG2-CD2 4.2Å; T449-F451 HydrophobicContact CG2-CE1 4.39Å; T449-F451 HydrophobicContact CG2-CE2 3.56Å; T449-F451 HydrophobicContact CG2-CZ 3.67Å; F451-A462 HydrophobicContact CB-CB 3.82Å; F451-A462 HydrophobicContact CD1-CB 3.83Å; F451-A462 HydrophobicContact CG-CB 3.89Å; F451-L465 HydrophobicContact CE1-CB 3.87Å; F451-L465 HydrophobicContact CE1-CD1 4.11Å; F451-L465 HydrophobicContact CZ-CB 3.89Å; F451-A466 HydrophobicContact CD2-CB 4.49Å; F451-A466 HydrophobicContact CE2-CB 3.95Å; F451-C473 HydrophobicContact CE2-CB 4.15Å; F451-F474 PolarHBondContact N-O 3.21Å; F451-I475 HydrophobicContact CB-CG1 4.26Å; F451-I475 HydrophobicContact CB-CG2 4.47Å; F451-I475 HydrophobicContact CD2-CG1 4.09Å; F451-I475 HydrophobicContact CG-CG1 4.49Å; F451-R476 PolarHBondContact O-N 2.89Å; F451-V494 HydrophobicContact CE1-CG2 3.84Å; F451-V494 HydrophobicContact CZ-CG2 3.74Å; F451-F540 HydrophobicContact CD1-CE1 4.07Å; F451-F540 HydrophobicContact CD1-CE2 4.46Å; F451-F540 AromaticContact CD1-CZ 3.89Å; F451-F540 HydrophobicContact CD1-CZ 3.89Å; F451-F540 HydrophobicContact CE1-CE1 4.17Å; F451-F540 HydrophobicContact CE1-CZ 4.21Å; F451-T541 HydrophobicContact CD1-CG2 3.55Å; F451-T541 HydrophobicContact CE1-CG2 3.79Å; F451-T541 HydrophobicContact CG-CG2 4.23Å
452Y98.9Very high98.7Very high2 Ų217.2 Ų17.21%0.00810%0.103CC..  trans-128.477.4168.4-168-174.5000109.1R476 A513 F540 I542Y452-R476 HydrophobicContact CD2-CB 3.78Å; Y452-R476 HydrophobicContact CD2-CG 4.01Å; Y452-R476 WeakPolarHBondContact CD2-O 3.36Å; Y452-R476 HydrophobicContact CE2-CB 4.3Å; Y452-R476 HydrophobicContact CE2-CG 4.03Å; Y452-R476 HydrophobicContact CG-CB 4.11Å; Y452-R476 HydrophobicContact CG-CG 4.44Å; Y452-R476 PolarHBondContact OH-NH1 3.28Å; Y452-A513 HydrophobicContact CD1-CB 3.32Å; Y452-A513 HydrophobicContact CE1-CB 3.57Å; Y452-A513 HydrophobicContact CG-CB 3.9Å; Y452-A513 PolarHBondContact OH-O 2.73Å; Y452-F540 PolarHBondContact N-O 3.2Å; Y452-I542 HydrophobicContact CD1-CD1 4.26Å; Y452-I542 HydrophobicContact CD1-CG1 4.44Å
453P98.8Very high98.7Very high0 Ų017.2 Ų17.20%010%0.103CC..  trans-66.4141.2-178.528.9-36.7000111.8S458 T459 A462 I475 R476P453-S458 WeakPolarHBondContact CB-OG 3.21Å; P453-T459 WeakPolarHBondContact CB-OG1 3.34Å; P453-T459 HydrophobicContact CG-CG2 4.31Å; P453-T459 WeakPolarHBondContact CG-OG1 3.37Å; P453-A462 HydrophobicContact CG-CB 4.45Å; P453-I475 HydrophobicContact CG-CG2 4.06Å; P453-R476 WeakPolarHBondContact CD-O 3.14Å
454S98.8Very high98.6Very high0 Ų015.5 Ų15.50%010%0.098CC..  trans-100.1-11.2-175.2-56.30000114.4S458 G514 L517 D538S454-S458 PolarHBondContact N-OG 2.72Å; S454-S458 VanDerWaalsContact N-OG 3.14Å; S454-G514 PolarHBondContact OG-N 3.01Å; S454-L517 WeakPolarHBondContact OG-CD2 3.44Å; S454-D538 WeakPolarHBondContact CB-OD2 3.24Å; S454-D538 VanDerWaalsContact OG-CG 3.27Å; S454-D538 PolarHBondContact OG-OD1 3.02Å; S454-D538 PolarHBondContact OG-OD2 3.47Å
455D98.7Very high98.6Very high0 Ų013.6 Ų13.60%08%0.078CC..SBendtrans-153.3-175.517877.1-4.6000113.3V457 S458 T459 I485 Y486D455-V457 PolarHBondContact OD1-N 3.31Å; D455-S458 PolarHBondContact N-OG 3.07Å; D455-S458 PolarHBondContact O-OG 2.92Å; D455-S458 VanDerWaalsContact O-OG 3.08Å; D455-S458 WeakPolarHBondContact OD1-CB 3.29Å; D455-S458 PolarHBondContact OD1-N 3.38Å; D455-S458 PolarHBondContact OD1-OG 2.89Å; D455-T459 WeakPolarHBondContact O-CB 3.38Å; D455-T459 PolarHBondContact O-N 3.49Å; D455-T459 PolarHBondContact O-OG1 3.24Å; D455-I485 PolarHBondContact OD2-N 2.97Å; D455-Y486 WeakPolarHBondContact OD2-CD2 3.34Å; D455-Y486 PolarHBondContact OD2-N 2.97Å; D455-Y486 VanDerWaalsContact OD2-N 3.13Å
456G98.6Very high98.6Very high0 Ų013.4 Ų13.40%08%0.078CC..Hα-helixtrans-63.7-39.6-179.100000114.5Y314 T459 E460Y314-G456 VanDerWaalsContact CE2-C 3.49Å; Y314-G456 VanDerWaalsContact CE2-O 3.32Å; Y314-G456 WeakPolarHBondContact CE2-O 3.49Å; G456-T459 PolarHBondContact O-N 3.47Å; G456-E460 PolarHBondContact O-N 2.62Å; G456-E460 VanDerWaalsContact O-N 3.1Å
457V98.7Very high98.6Very high0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-66.9-52.1-179.2173.80000110.4P312 Y314 D455 T459 E460 K461 V484 F492P312-V457 HydrophobicContact CB-CG2 4.36Å; P312-V457 HydrophobicContact CG-CG1 4.28Å; Y314-V457 HydrophobicContact CD2-CG2 3.86Å; Y314-V457 HydrophobicContact CG-CG2 4.33Å; D455-V457 PolarHBondContact OD1-N 3.31Å; V457-T459 PolarHBondContact O-N 3.44Å; V457-E460 PolarHBondContact O-N 3.38Å; V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.36Å; V457-K461 VanDerWaalsContact O-N 3.1Å; V457-V484 HydrophobicContact CG2-CG1 3.93Å; V457-F492 HydrophobicContact CG1-CE2 4.18Å
458S98.8Very high98.5Very high0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-61.5-33.3177.754.20000111.7P453 S454 D455 K461 A462P453-S458 WeakPolarHBondContact CB-OG 3.21Å; S454-S458 PolarHBondContact N-OG 2.72Å; S454-S458 VanDerWaalsContact N-OG 3.14Å; D455-S458 PolarHBondContact N-OG 3.07Å; D455-S458 PolarHBondContact O-OG 2.92Å; D455-S458 VanDerWaalsContact O-OG 3.08Å; D455-S458 WeakPolarHBondContact OD1-CB 3.29Å; D455-S458 PolarHBondContact OD1-N 3.38Å; D455-S458 PolarHBondContact OD1-OG 2.89Å; S458-K461 PolarHBondContact O-N 3.41Å; S458-A462 WeakPolarHBondContact O-CB 3.36Å; S458-A462 PolarHBondContact O-N 3.03Å
459T98.9Very high98.4Very high0 Ų012.1 Ų12.10%06%0.064CC..Hα-helixtrans-65.8-47.3175.6-57.40000112.2T322 A325 P453 D455 G456 V457 K461 A462 V463T322-T459 VanDerWaalsContact CB-OG1 3.27Å; T322-T459 WeakPolarHBondContact CB-OG1 3.34Å; T322-T459 WeakPolarHBondContact CG2-OG1 3.4Å; T322-T459 WeakPolarHBondContact O-CG2 3.47Å; A325-T459 HydrophobicContact CB-CG2 4Å; P453-T459 WeakPolarHBondContact CB-OG1 3.34Å; P453-T459 HydrophobicContact CG-CG2 4.31Å; P453-T459 WeakPolarHBondContact CG-OG1 3.37Å; D455-T459 WeakPolarHBondContact O-CB 3.38Å; D455-T459 PolarHBondContact O-N 3.49Å; D455-T459 PolarHBondContact O-OG1 3.24Å; G456-T459 PolarHBondContact O-N 3.47Å; V457-T459 PolarHBondContact O-N 3.44Å; T459-K461 VanDerWaalsContact C-N 3.26Å; T459-K461 PolarHBondContact O-N 2.98Å; T459-A462 WeakPolarHBondContact O-CB 3.41Å; T459-A462 PolarHBondContact O-N 3.45Å; T459-V463 PolarHBondContact O-N 3.17Å
460E98.7Very high98.3Very high7 Ų719.8 Ų19.83%0.03310%0.096CC..Hα-helixtrans-62.2-38178.8-172.8172.9142.600111.5M308 P312 Y314 A329 K332 G456 V457 V463 E464M308-E460 HydrophobicContact CE-CG 3.94Å; M308-E460 HydrophobicContact SD-CG 4.45Å; P312-E460 WeakPolarHBondContact CA-OE1 3.23Å; P312-E460 HydrophobicContact CB-CB 4.47Å; P312-E460 HydrophobicContact CG-CB 4.11Å; P312-E460 HydrophobicContact CG-CG 4.15Å; Y314-E460 HydrophobicContact CE2-CB 4.48Å; A329-E460 HydrophobicContact CB-CB 4.03Å; A329-E460 HydrophobicContact CB-CG 3.83Å; K332-E460 IonicContact NZ-OE1 2.65Å; K332-E460 PolarHBondContact NZ-OE1 3.06Å; G456-E460 PolarHBondContact O-N 2.62Å; G456-E460 VanDerWaalsContact O-N 3.1Å; V457-E460 PolarHBondContact O-N 3.38Å; E460-V463 PolarHBondContact O-N 3.41Å; E460-E464 PolarHBondContact O-N 3.04Å; E460-E464 VanDerWaalsContact O-N 3.08Å
461K98.5Very high98.3Very high37 Ų3720.2 Ų20.216%0.16110%0.101CC..Hα-helixtrans-68.1-37.9173.9-69.4-66.1-179.7-1750113.4V457 S458 T459 V463 E464 L465 F492V457-K461 WeakPolarHBondContact O-CG 3.38Å; V457-K461 PolarHBondContact O-N 3.36Å; V457-K461 VanDerWaalsContact O-N 3.1Å; S458-K461 PolarHBondContact O-N 3.41Å; T459-K461 VanDerWaalsContact C-N 3.26Å; T459-K461 PolarHBondContact O-N 2.98Å; K461-V463 VanDerWaalsContact C-N 3.33Å; K461-V463 PolarHBondContact O-N 3.35Å; K461-E464 IonicContact NZ-OE2 3.46Å; K461-E464 PolarHBondContact NZ-OE2 3.39Å; K461-E464 PolarHBondContact O-N 2.96Å; K461-L465 WeakPolarHBondContact O-CB 3.34Å; K461-L465 VanDerWaalsContact O-CG 3.3Å; K461-L465 WeakPolarHBondContact O-CG 3.41Å; K461-L465 PolarHBondContact O-N 3.41Å; K461-F492 HydrophobicContact CB-CB 3.94Å; K461-F492 HydrophobicContact CB-CD2 4.04Å; K461-F492 HydrophobicContact CB-CG 4.1Å; K461-F492 HydrophobicContact CG-CB 4.31Å; K461-F492 HydrophobicContact CG-CD2 3.79Å; K461-F492 HydrophobicContact CG-CG 4.32Å
462A98.8Very high98.2Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-61.5-40.9173.200000111.7F451 P453 S458 T459 L465 A466 I475 F540F451-A462 HydrophobicContact CB-CB 3.82Å; F451-A462 HydrophobicContact CD1-CB 3.83Å; F451-A462 HydrophobicContact CG-CB 3.89Å; P453-A462 HydrophobicContact CG-CB 4.45Å; S458-A462 WeakPolarHBondContact O-CB 3.36Å; S458-A462 PolarHBondContact O-N 3.03Å; T459-A462 WeakPolarHBondContact O-CB 3.41Å; T459-A462 PolarHBondContact O-N 3.45Å; A462-L465 PolarHBondContact O-N 3.15Å; A462-A466 WeakPolarHBondContact O-CB 3.46Å; A462-A466 PolarHBondContact O-N 2.9Å; A462-I475 HydrophobicContact CB-CG2 4.32Å; A462-F540 HydrophobicContact CB-CE2 4.22Å; A462-F540 HydrophobicContact CB-CZ 4.34Å
463V98.8Very high98.2Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-63.6-45.6175.5171.90000111.6M308 Y326 A329 L330 L333 F390 T459 E460 K461 A467 I475M308-V463 HydrophobicContact CE-CB 4.24Å; M308-V463 HydrophobicContact CE-CG1 3.91Å; Y326-V463 HydrophobicContact CD2-CG2 3.6Å; Y326-V463 HydrophobicContact CE2-CG2 4.09Å; A329-V463 HydrophobicContact CB-CB 4.04Å; A329-V463 HydrophobicContact CB-CG1 4.2Å; A329-V463 HydrophobicContact CB-CG2 3.96Å; L330-V463 HydrophobicContact CD2-CG1 4.02Å; L333-V463 HydrophobicContact CD2-CG1 4.15Å; F390-V463 HydrophobicContact CE1-CG1 4.19Å; F390-V463 HydrophobicContact CZ-CG1 4.11Å; T459-V463 PolarHBondContact O-N 3.17Å; E460-V463 PolarHBondContact O-N 3.41Å; K461-V463 VanDerWaalsContact C-N 3.33Å; K461-V463 PolarHBondContact O-N 3.35Å; V463-A467 PolarHBondContact O-N 2.96Å; V463-A467 VanDerWaalsContact O-N 3.11Å; V463-I475 HydrophobicContact CG2-CD1 3.99Å
464E97.8Very high98.2Very high26 Ų2620.1 Ų20.112%0.12110%0.1CC..Hα-helixtrans-59.2-48.6176.3-179.5170.8-141.500111.9M308 E460 K461 A467M308-E464 HydrophobicContact CE-CB 4.19Å; M308-E464 HydrophobicContact CG-CB 3.83Å; M308-E464 HydrophobicContact CG-CG 3.99Å; M308-E464 PolarHBondContact N-OE1 3.17Å; E460-E464 PolarHBondContact O-N 3.04Å; E460-E464 VanDerWaalsContact O-N 3.08Å; K461-E464 IonicContact NZ-OE2 3.46Å; K461-E464 PolarHBondContact NZ-OE2 3.39Å; K461-E464 PolarHBondContact O-N 2.96Å; E464-A467 PolarHBondContact O-N 3.19Å
465L98.3Very high98.2Very high24 Ų2420.1 Ų20.113%0.12610%0.1CC..Hα-helixtrans-67.8-41.8-179.5-70.5171.3000112.1F451 K461 A462 A467 I468 T469 F492 V494 F540F451-L465 HydrophobicContact CE1-CB 3.87Å; F451-L465 HydrophobicContact CE1-CD1 4.11Å; F451-L465 HydrophobicContact CZ-CB 3.89Å; K461-L465 WeakPolarHBondContact O-CB 3.34Å; K461-L465 VanDerWaalsContact O-CG 3.3Å; K461-L465 WeakPolarHBondContact O-CG 3.41Å; K461-L465 PolarHBondContact O-N 3.41Å; A462-L465 PolarHBondContact O-N 3.15Å; L465-A467 VanDerWaalsContact C-N 3.29Å; L465-A467 PolarHBondContact O-N 2.77Å; L465-I468 HydrophobicContact CD2-CD1 4.47Å; L465-I468 VanDerWaalsContact O-CG1 3.24Å; L465-I468 WeakPolarHBondContact O-CG1 3.44Å; L465-I468 PolarHBondContact O-N 2.74Å; L465-T469 WeakPolarHBondContact O-CB 3.46Å; L465-T469 PolarHBondContact O-N 3.16Å; L465-T469 PolarHBondContact O-OG1 2.99Å; L465-F492 HydrophobicContact CD1-CB 4.3Å; L465-V494 HydrophobicContact CB-CG2 4.42Å; L465-V494 HydrophobicContact CD1-CG2 4.46Å; L465-F540 HydrophobicContact CD1-CE1 3.68Å; L465-F540 HydrophobicContact CD1-CZ 3.76Å
466A98.6Very high98.3Very high0 Ų020.1 Ų20.10%010%0.1CC..Hα-helixtrans-58.2-44176.900000110.7F390 N416 F451 A462 I468 T469 C473 I475F390-A466 HydrophobicContact CE1-CB 4.27Å; N416-A466 WeakPolarHBondContact OD1-CB 3.41Å; N416-A466 PolarHBondContact OD1-O 3.32Å; F451-A466 HydrophobicContact CD2-CB 4.49Å; F451-A466 HydrophobicContact CE2-CB 3.95Å; A462-A466 WeakPolarHBondContact O-CB 3.46Å; A462-A466 PolarHBondContact O-N 2.9Å; A466-I468 PolarHBondContact O-N 3.49Å; A466-T469 PolarHBondContact O-N 2.57Å; A466-C473 HydrophobicContact CB-CB 3.81Å; A466-I475 HydrophobicContact CB-CD1 3.98Å; A466-I475 HydrophobicContact CB-CG1 4.47Å
467A97.7Very high98.3Very high10 Ų1020.1 Ų20.18%0.08310%0.1CC..Hα-helixtrans-57.6-24.3179.600000114.7I306 L333 V388 F390 V463 E464 L465I306-A467 HydrophobicContact CG2-CB 3.89Å; L333-A467 HydrophobicContact CD2-CB 3.85Å; V388-A467 HydrophobicContact CG1-CB 4.06Å; F390-A467 HydrophobicContact CE2-CB 4.2Å; F390-A467 HydrophobicContact CZ-CB 3.97Å; V463-A467 PolarHBondContact O-N 2.96Å; V463-A467 VanDerWaalsContact O-N 3.11Å; E464-A467 PolarHBondContact O-N 3.19Å; L465-A467 VanDerWaalsContact C-N 3.29Å; L465-A467 PolarHBondContact O-N 2.77Å
468I95.8Very high98.3Very high98 Ų9820.1 Ų20.150%0.50310%0.1SC..Hα-helixtrans-110.3-2179.362.2172000113.8I306 L465 A466I306-I468 HydrophobicContact CB-CG2 3.74Å; I306-I468 HydrophobicContact CG1-CG2 4.44Å; I306-I468 VanDerWaalsContact O-CG2 3.26Å; I306-I468 WeakPolarHBondContact O-CG2 3.16Å; L465-I468 HydrophobicContact CD2-CD1 4.47Å; L465-I468 VanDerWaalsContact O-CG1 3.24Å; L465-I468 WeakPolarHBondContact O-CG1 3.44Å; L465-I468 PolarHBondContact O-N 2.74Å; A466-I468 PolarHBondContact O-N 3.49Å
469T97.4Very high98.3Very high36 Ų3623.8 Ų23.822%0.22111%0.114CC..  trans-94.8127.3-178-61.80000109.6T449 L465 A466T449-T469 HydrophobicContact CG2-CG2 4.48Å; L465-T469 WeakPolarHBondContact O-CB 3.46Å; L465-T469 PolarHBondContact O-N 3.16Å; L465-T469 PolarHBondContact O-OG1 2.99Å; A466-T469 PolarHBondContact O-N 2.57Å
470K96.5Very high98.2Very high176 Ų17625.3 Ų25.377%0.76512%0.124SC*.  trans-71.3157.5176.7-68.5-169.2177.1-171.40111.8N414N414-K470 WeakPolarHBondContact OD1-CA 3.23Å; N414-K470 WeakPolarHBondContact OD1-CB 3.33Å
471G97.6Very high98.2Very high9 Ų930.6 Ų30.69%0.09315%0.149CC..SBendtrans84.2-154.8-17900000112.2S413 N414 I415S413-G471 CarbonylContact O-C 3.57Å; S413-G471 WeakPolarHBondContact O-CA 3.18Å; N414-G471 WeakPolarHBondContact CA-O 2.91Å; N414-G471 PolarHBondContact OD1-N 2.9Å; I415-G471 PolarHBondContact N-O 3.23Å
472L98.3Very high98Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-95.9110.2-174.5-174.8152.5000109.6L405 A408 I415 L417 F442 I445 T447 S448 T449L405-L472 HydrophobicContact CB-CD1 4.33Å; L405-L472 HydrophobicContact CD2-CD1 4.05Å; A408-L472 HydrophobicContact CB-CD1 4.31Å; I415-L472 HydrophobicContact CD1-CD1 4.41Å; I415-L472 HydrophobicContact CG1-CG 4.41Å; I415-L472 WeakPolarHBondContact O-CA 3.45Å; L417-L472 HydrophobicContact CD1-CD1 3.94Å; L417-L472 HydrophobicContact CD1-CD2 3.8Å; L417-L472 HydrophobicContact CD1-CG 3.81Å; F442-L472 HydrophobicContact CD1-CD2 3.59Å; F442-L472 HydrophobicContact CE1-CD2 3.76Å; I445-L472 HydrophobicContact CD1-CD1 4.15Å; I445-L472 HydrophobicContact CD1-CD2 4.46Å; I445-L472 HydrophobicContact CG2-CD1 4.38Å; T447-L472 PolarHBondContact O-N 3.06Å; S448-L472 CarbonylContact C-O 3.54Å; S448-L472 WeakPolarHBondContact CA-O 3.42Å; T449-L472 PolarHBondContact N-O 3.36Å
473C98.9Very high98Very high0 Ų033 Ų330%016%0.163CC..EExtended strand (participates in β ladder)trans-95.9125.7176.5-66.80000110.1I415 N416 L417 T449 F451 A466I415-C473 PolarHBondContact O-N 3.06Å; N416-C473 CarbonylContact C-O 3.52Å; N416-C473 WeakPolarHBondContact CA-O 3.43Å; N416-C473 HydrophobicContact CB-CB 4.48Å; N416-C473 WeakPolarHBondContact OD1-CB 3.23Å; L417-C473 PolarHBondContact N-O 3.11Å; T449-C473 CarbonylContact O-C 3.57Å; T449-C473 WeakPolarHBondContact O-CA 3.37Å; F451-C473 HydrophobicContact CE2-CB 4.15Å; A466-C473 HydrophobicContact CB-CB 3.81Å
474F98.9Very high98Very high0 Ų033.1 Ų33.10%016%0.164CC..EExtended strand (participates in β ladder)trans-110.7128.8172.4178.3-122000110.3A395 F398 L417 D438 F442 T449 I450 F451 R476A395-F474 HydrophobicContact CB-CZ 4.24Å; F398-F474 HydrophobicContact CD2-CE2 4.23Å; F398-F474 HydrophobicContact CE2-CE2 4.37Å; L417-F474 HydrophobicContact CB-CD2 4.21Å; L417-F474 CarbonylContact O-C 3.57Å; L417-F474 WeakPolarHBondContact O-CA 3.41Å; D438-F474 HydrophobicContact CB-CE1 4.37Å; D438-F474 HydrophobicContact CB-CZ 4.24Å; D438-F474 WeakPolarHBondContact OD2-CE1 3.44Å; D438-F474 WeakPolarHBondContact OD2-CZ 3.45Å; F442-F474 HydrophobicContact CB-CB 4.27Å; F442-F474 HydrophobicContact CB-CD1 4.02Å; F442-F474 HydrophobicContact CB-CG 4.29Å; F442-F474 HydrophobicContact CD1-CB 3.77Å; F442-F474 HydrophobicContact CD1-CD1 4.49Å; F442-F474 HydrophobicContact CD1-CD2 4.34Å; F442-F474 AromaticContact CD1-CG 3.97Å; F442-F474 HydrophobicContact CD1-CG 3.97Å; F442-F474 HydrophobicContact CD2-CB 4.12Å; F442-F474 AromaticContact CD2-CD1 3.34Å; F442-F474 HydrophobicContact CD2-CD1 3.34Å; F442-F474 AromaticContact CD2-CD2 3.65Å; F442-F474 HydrophobicContact CD2-CD2 3.65Å; F442-F474 AromaticContact CD2-CE1 3.52Å; F442-F474 HydrophobicContact CD2-CE1 3.52Å; F442-F474 AromaticContact CD2-CE2 3.81Å; F442-F474 HydrophobicContact CD2-CE2 3.81Å; F442-F474 AromaticContact CD2-CG 3.42Å; F442-F474 HydrophobicContact CD2-CG 3.42Å; F442-F474 VanDerWaalsContact CD2-CG 3.42Å; F442-F474 AromaticContact CD2-CZ 3.76Å; F442-F474 HydrophobicContact CD2-CZ 3.76Å; F442-F474 HydrophobicContact CE1-CB 4.11Å; F442-F474 HydrophobicContact CE1-CD2 4.05Å; F442-F474 HydrophobicContact CE1-CG 4.15Å; F442-F474 HydrophobicContact CE2-CB 4.44Å; F442-F474 AromaticContact CE2-CD1 3.9Å; F442-F474 HydrophobicContact CE2-CD1 3.9Å; F442-F474 AromaticContact CE2-CD2 3.3Å; F442-F474 HydrophobicContact CE2-CD2 3.3Å; F442-F474 AromaticContact CE2-CE1 3.9Å; F442-F474 HydrophobicContact CE2-CE1 3.9Å; F442-F474 AromaticContact CE2-CE2 3.29Å; F442-F474 HydrophobicContact CE2-CE2 3.29Å; F442-F474 AromaticContact CE2-CG 3.62Å; F442-F474 HydrophobicContact CE2-CG 3.62Å; F442-F474 AromaticContact CE2-CZ 3.62Å; F442-F474 HydrophobicContact CE2-CZ 3.62Å; F442-F474 HydrophobicContact CG-CB 3.79Å; F442-F474 AromaticContact CG-CD1 3.7Å; F442-F474 HydrophobicContact CG-CD1 3.7Å; F442-F474 HydrophobicContact CG-CD2 4.18Å; F442-F474 HydrophobicContact CG-CE1 4.33Å; F442-F474 AromaticContact CG-CG 3.62Å; F442-F474 HydrophobicContact CG-CG 3.62Å; F442-F474 HydrophobicContact CZ-CB 4.43Å; F442-F474 AromaticContact CZ-CD2 3.52Å; F442-F474 HydrophobicContact CZ-CD2 3.52Å; F442-F474 AromaticContact CZ-CE2 3.86Å; F442-F474 HydrophobicContact CZ-CE2 3.86Å; F442-F474 AromaticContact CZ-CG 3.98Å; F442-F474 HydrophobicContact CZ-CG 3.98Å; T449-F474 PolarHBondContact O-N 3.19Å; I450-F474 CarbonylContact C-O 3.55Å; I450-F474 WeakPolarHBondContact CA-O 3.32Å; I450-F474 HydrophobicContact CG1-CB 4.41Å; I450-F474 HydrophobicContact CG2-CD1 4Å; F451-F474 PolarHBondContact N-O 3.21Å; F474-R476 HydrophobicContact CE1-CB 3.8Å; F474-R476 HydrophobicContact CE1-CG 4.21Å; F474-R476 HydrophobicContact CZ-CB 4.14Å; F474-R476 HydrophobicContact CZ-CG 4.36Å
475I98.9Very high98Very high0 Ų034.3 Ų34.30%017%0.171CC..EExtended strand (participates in β ladder)trans-114.8109.5176.1-52.8171.5000107.6Y326 F390 L417 C418 G419 F451 P453 A462 V463 A466 T477Y326-I475 HydrophobicContact CE2-CD1 4.49Å; F390-I475 HydrophobicContact CE1-CD1 4.34Å; L417-I475 PolarHBondContact O-N 3.36Å; C418-I475 WeakPolarHBondContact CA-O 3.48Å; G419-I475 PolarHBondContact N-O 3.29Å; F451-I475 HydrophobicContact CB-CG1 4.26Å; F451-I475 HydrophobicContact CB-CG2 4.47Å; F451-I475 HydrophobicContact CD2-CG1 4.09Å; F451-I475 HydrophobicContact CG-CG1 4.49Å; P453-I475 HydrophobicContact CG-CG2 4.06Å; A462-I475 HydrophobicContact CB-CG2 4.32Å; V463-I475 HydrophobicContact CG2-CD1 3.99Å; A466-I475 HydrophobicContact CB-CD1 3.98Å; A466-I475 HydrophobicContact CB-CG1 4.47Å; I475-T477 HydrophobicContact CG2-CG2 4.02Å
476R98.9Very high98Very high0 Ų033.9 Ų33.90%017%0.167CC..EExtended strand (participates in β ladder)trans-85.4115.1178.2-167.6-177.9-158.5-117.88.1109.9C422 G435 D438 F451 Y452 P453 F474 D566C422-R476 HydrophobicContact CB-CG 3.62Å; G435-R476 PolarHBondContact O-NH2 2.95Å; D438-R476 IonicContact OD1-CZ 3.15Å; D438-R476 IonicContact OD1-NE 3.45Å; D438-R476 PolarHBondContact OD1-NE 3.08Å; D438-R476 IonicContact OD1-NH2 2.67Å; D438-R476 PolarHBondContact OD1-NH2 3.49Å; D438-R476 VanDerWaalsContact OD2-CD 3.27Å; D438-R476 WeakPolarHBondContact OD2-CD 3.43Å; D438-R476 WeakPolarHBondContact OD2-CG 3.35Å; D438-R476 IonicContact OD2-CZ 3.8Å; D438-R476 IonicContact OD2-NE 3Å; D438-R476 PolarHBondContact OD2-NE 2.89Å; D438-R476 IonicContact OD2-NH2 2.97Å; F451-R476 PolarHBondContact O-N 2.89Å; Y452-R476 HydrophobicContact CD2-CB 3.78Å; Y452-R476 HydrophobicContact CD2-CG 4.01Å; Y452-R476 WeakPolarHBondContact CD2-O 3.36Å; Y452-R476 HydrophobicContact CE2-CB 4.3Å; Y452-R476 HydrophobicContact CE2-CG 4.03Å; Y452-R476 HydrophobicContact CG-CB 4.11Å; Y452-R476 HydrophobicContact CG-CG 4.44Å; Y452-R476 PolarHBondContact OH-NH1 3.28Å; P453-R476 WeakPolarHBondContact CD-O 3.14Å; F474-R476 HydrophobicContact CE1-CB 3.8Å; F474-R476 HydrophobicContact CE1-CG 4.21Å; F474-R476 HydrophobicContact CZ-CB 4.14Å; F474-R476 HydrophobicContact CZ-CG 4.36Å; R476-D566 PolarHBondContact NH1-O 3.39Å; R476-D566 PolarHBondContact NH2-O 3.25Å
477T98.9Very high97.9Very high0 Ų038.6 Ų38.60%019%0.193CC..  trans-116.6149.4-179.461.70000112.5G419 S420 H421 C422 I475G419-T477 PolarHBondContact O-N 2.79Å; G419-T477 PolarHBondContact O-OG1 3.48Å; S420-T477 CarbonylContact C-O 3.59Å; S420-T477 WeakPolarHBondContact CA-O 3.37Å; S420-T477 VanDerWaalsContact CA-OG1 3.25Å; S420-T477 WeakPolarHBondContact CA-OG1 3.41Å; S420-T477 WeakPolarHBondContact CB-OG1 3.39Å; H421-T477 PolarHBondContact N-O 2.91Å; C422-T477 PolarHBondContact N-O 3.11Å; C422-T477 PolarHBondContact SG-O 3.37Å; C422-T477 VanDerWaalsContact SG-O 3.4Å; I475-T477 HydrophobicContact CG2-CG2 4.02Å
478S98.8Very high97.8Very high0 Ų040.1 Ų40.10%020%0.202CC..  trans-109.5151-169.8-50.70000111.7T322 R323 C422T322-S478 PolarHBondContact OG1-N 3.47Å; R323-S478 WeakPolarHBondContact CG-O 3.03Å; C422-S478 PolarHBondContact SG-OG 2.94Å
479R98.6Very high97.7Very high76 Ų7641.7 Ų41.729%0.28721%0.212SC..SBendtrans-74.1-47.1-179.2172.8162.4-168.5-82.91114.3A321 R323 V426 E428A321-R479 WeakPolarHBondContact CB-O 3.45Å; R323-R479 PolarHBondContact NE-O 3.22Å; V426-R479 WeakPolarHBondContact O-CD 3.45Å; V426-R479 PolarHBondContact O-NH1 2.96Å; E428-R479 IonicContact OE2-NH1 2.83Å
480P98.1Very high97.7Very high32 Ų3242.9 Ų42.921%0.20822%0.215CC..SBendtrans-67.1154.6-177.3-21.333.9000113.3A321 S425 V515A321-P480 VanDerWaalsContact CA-O 3.3Å; A321-P480 WeakPolarHBondContact CA-O 3.41Å; A321-P480 VanDerWaalsContact CB-O 3.29Å; A321-P480 WeakPolarHBondContact CB-O 3.22Å; S425-P480 VanDerWaalsContact O-CG 3.32Å; S425-P480 WeakPolarHBondContact O-CG 3.16Å; P480-V515 HydrophobicContact CG-CG1 4.11Å
481E98.3Very high97.7Very high119 Ų11938.8 Ų38.856%0.55620%0.201SC*.  trans-78.9127.1166.6-61.7-175155.100110.2K319 A321K319-E481 HydrophobicContact CB-CB 4.3Å; A321-E481 HydrophobicContact CB-CG 4.24Å
482N95.2Very high97.8Very high21 Ų2138.6 Ų38.611%0.11220%0.198CC..EExtended strand (participates in β ladder)trans-115.8161176.4-73.5-26.5000110.1K319 I320 Q518K319-N482 WeakPolarHBondContact CA-O 3.29Å; I320-N482 PolarHBondContact N-O 3.26Å; I320-N482 PolarHBondContact O-N 3.34Å; I320-N482 VanDerWaalsContact O-N 3.1Å; N482-Q518 HydrophobicContact CB-CG 3.85Å
483N97.6Very high97.8Very high66 Ų6642.5 Ų42.535%0.35322%0.216SC..EExtended strand (participates in β ladder)trans-69.6137.3174.7-63.3-26.4000110.1D318 K319 I485 Q518D318-N483 CarbonylContact O-C 3.53Å; D318-N483 WeakPolarHBondContact O-CA 3.48Å; K319-N483 VanDerWaalsContact CE-OD1 3.28Å; K319-N483 WeakPolarHBondContact CE-OD1 3.47Å; K319-N483 WeakPolarHBondContact CG-OD1 3.4Å; N483-I485 PolarHBondContact O-N 3.13Å; N483-Q518 PolarHBondContact O-NE2 2.91Å
484V98.3Very high97.8Very high3 Ų345 Ų452%0.01823%0.231CC..  trans-68.3126.3164.6176.20000108.4K315 P316 G317 D318 I320 V457K315-V484 WeakPolarHBondContact O-CB 3.44Å; P316-V484 CarbonylContact C-O 3.23Å; P316-V484 WeakPolarHBondContact CA-O 3.32Å; G317-V484 PolarHBondContact N-O 3.42Å; D318-V484 HydrophobicContact CB-CB 4.43Å; D318-V484 HydrophobicContact CB-CG2 4.06Å; D318-V484 PolarHBondContact O-N 2.93Å; I320-V484 HydrophobicContact CG2-CG2 3.94Å; V457-V484 HydrophobicContact CG2-CG1 3.93Å
485I98Very high97.7Very high51 Ų5146 Ų4626%0.26224%0.241SC..  trans-114-25.5-17761.7171.8000112.2D455 N483 V500 L517 L521D455-I485 PolarHBondContact OD2-N 2.97Å; N483-I485 PolarHBondContact O-N 3.13Å; I485-V500 HydrophobicContact CD1-CB 4.48Å; I485-V500 HydrophobicContact CD1-CG1 4.1Å; I485-L517 HydrophobicContact CD1-CD2 3.6Å; I485-L521 HydrophobicContact CD1-CD1 4.32Å; I485-L521 HydrophobicContact CG2-CD1 4.1Å
486Y98.3Very high97.7Very high14 Ų1449.3 Ų49.36%0.05526%0.257CS..SBendtrans-90.6150.1-179.8-64.3-70.6000112.3D455 E490 F492 K498 V500 D538D455-Y486 WeakPolarHBondContact OD2-CD2 3.34Å; D455-Y486 PolarHBondContact OD2-N 2.97Å; D455-Y486 VanDerWaalsContact OD2-N 3.13Å; Y486-E490 HydrophobicContact CD1-CB 4.42Å; Y486-E490 HydrophobicContact CD1-CG 3.78Å; Y486-E490 HydrophobicContact CE1-CG 4.45Å; Y486-E490 HydrophobicContact CG-CG 4.36Å; Y486-F492 HydrophobicContact CD1-CZ 4.02Å; Y486-F492 HydrophobicContact CD2-CE2 4.48Å; Y486-F492 AromaticContact CD2-CZ 3.69Å; Y486-F492 HydrophobicContact CD2-CZ 3.69Å; Y486-F492 HydrophobicContact CE1-CZ 4.08Å; Y486-F492 HydrophobicContact CE2-CE1 4.29Å; Y486-F492 AromaticContact CE2-CZ 3.76Å; Y486-F492 HydrophobicContact CE2-CZ 3.76Å; Y486-F492 HydrophobicContact CG-CE2 4.31Å; Y486-F492 AromaticContact CG-CZ 3.82Å; Y486-F492 HydrophobicContact CG-CZ 3.82Å; Y486-F492 AromaticContact CZ-CZ 3.94Å; Y486-K498 HydrophobicContact CE1-CB 4.02Å; Y486-K498 HydrophobicContact CE1-CG 3.97Å; Y486-K498 VanDerWaalsContact OH-CB 3.28Å; Y486-K498 WeakPolarHBondContact OH-CB 3.42Å; Y486-V500 HydrophobicContact CE1-CG1 3.84Å; Y486-V500 WeakPolarHBondContact OH-CG1 3.48Å; Y486-D538 VanDerWaalsContact OH-CB 3.29Å; Y486-D538 WeakPolarHBondContact OH-CB 3.31Å; Y486-D538 PolarHBondContact OH-OD2 3.13Å
487N96.9Very high97.7Very high99 Ų9949.6 Ų49.653%0.52926%0.26SS..  trans-71.7149.2165.9-65.9-55.8000109.7N489 E490N487-N489 PolarHBondContact O-N 3.25Å; N487-N489 VanDerWaalsContact O-N 3.09Å; N487-E490 VanDerWaalsContact O-CB 3.24Å; N487-E490 WeakPolarHBondContact O-CB 3.33Å; N487-E490 PolarHBondContact O-N 2.9Å
488C95.4Very high97.7Very high42 Ų4250.9 Ų50.928%0.28427%0.265SS..THydrogen-bonded Turntrans-56.9-26.917852.20000114.6P312P312-C488 WeakPolarHBondContact CD-O 3.34Å; P312-C488 WeakPolarHBondContact O-CB 3.5Å
489N94.2Very high97.7Very high131 Ų13153.3 Ų53.370%0.70128%0.28SS*.THydrogen-bonded Turntrans-956.7179.8-60.5-31.5000113.3N487 D491N487-N489 PolarHBondContact O-N 3.25Å; N487-N489 VanDerWaalsContact O-N 3.09Å; N489-D491 PolarHBondContact O-N 3.02Å
490E97.3Very high97.7Very high61 Ų6151.8 Ų51.829%0.28528%0.279SS..  trans-60.8131.3174.4-174.466.3-150.700109.7Y486 N487 F492 K498Y486-E490 HydrophobicContact CD1-CB 4.42Å; Y486-E490 HydrophobicContact CD1-CG 3.78Å; Y486-E490 HydrophobicContact CE1-CG 4.45Å; Y486-E490 HydrophobicContact CG-CG 4.36Å; N487-E490 VanDerWaalsContact O-CB 3.24Å; N487-E490 WeakPolarHBondContact O-CB 3.33Å; N487-E490 PolarHBondContact O-N 2.9Å; E490-F492 HydrophobicContact CB-CD2 4.45Å; E490-F492 HydrophobicContact CB-CE2 3.85Å; E490-F492 HydrophobicContact CG-CD2 4.18Å; E490-F492 HydrophobicContact CG-CE2 3.56Å; E490-F492 HydrophobicContact CG-CZ 4.06Å; E490-F492 WeakPolarHBondContact O-CD2 3.44Å; E490-K498 WeakPolarHBondContact OE1-CE 3.48Å; E490-K498 IonicContact OE1-NZ 2.86Å; E490-K498 PolarHBondContact OE1-NZ 3.08Å
491D96.6Very high97.7Very high91 Ų9152.3 Ų52.349%0.48728%0.277SS..  trans-85.4143.3-179.7-163.813.7000110.9N489 H493 K498N489-D491 PolarHBondContact O-N 3.02Å; D491-H493 VanDerWaalsContact CG-CE1 3.49Å; D491-H493 IonicContact OD1-CE1 3.87Å; D491-H493 PolarHBondContact OD1-CE1 3.25Å; D491-H493 IonicContact OD1-ND1 3.82Å; D491-H493 IonicContact OD2-CE1 3.46Å; D491-H493 PolarHBondContact OD2-CE1 2.85Å; D491-H493 IonicContact OD2-NE2 3.83Å; D491-H493 PolarHBondContact OD2-NE2 3.22Å; D491-H493 VanDerWaalsContact OD2-NE2 3.14Å; D491-K498 WeakPolarHBondContact O-CE 3.39Å; D491-K498 PolarHBondContact O-NZ 2.98Å
492F98.4Very high97.6Very high4 Ų453.3 Ų53.32%0.01828%0.279CS..  trans-136136.5-178.5-78.5-92.3000110.3V457 K461 L465 Y486 E490 K498 F540V457-F492 HydrophobicContact CG1-CE2 4.18Å; K461-F492 HydrophobicContact CB-CB 3.94Å; K461-F492 HydrophobicContact CB-CD2 4.04Å; K461-F492 HydrophobicContact CB-CG 4.1Å; K461-F492 HydrophobicContact CG-CB 4.31Å; K461-F492 HydrophobicContact CG-CD2 3.79Å; K461-F492 HydrophobicContact CG-CG 4.32Å; L465-F492 HydrophobicContact CD1-CB 4.3Å; Y486-F492 HydrophobicContact CD1-CZ 4.02Å; Y486-F492 HydrophobicContact CD2-CE2 4.48Å; Y486-F492 AromaticContact CD2-CZ 3.69Å; Y486-F492 HydrophobicContact CD2-CZ 3.69Å; Y486-F492 HydrophobicContact CE1-CZ 4.08Å; Y486-F492 HydrophobicContact CE2-CE1 4.29Å; Y486-F492 AromaticContact CE2-CZ 3.76Å; Y486-F492 HydrophobicContact CE2-CZ 3.76Å; Y486-F492 HydrophobicContact CG-CE2 4.31Å; Y486-F492 AromaticContact CG-CZ 3.82Å; Y486-F492 HydrophobicContact CG-CZ 3.82Å; Y486-F492 AromaticContact CZ-CZ 3.94Å; E490-F492 HydrophobicContact CB-CD2 4.45Å; E490-F492 HydrophobicContact CB-CE2 3.85Å; E490-F492 HydrophobicContact CG-CD2 4.18Å; E490-F492 HydrophobicContact CG-CE2 3.56Å; E490-F492 HydrophobicContact CG-CZ 4.06Å; E490-F492 WeakPolarHBondContact O-CD2 3.44Å; F492-K498 HydrophobicContact CE1-CG 4.19Å; F492-F540 HydrophobicContact CB-CE1 3.91Å; F492-F540 HydrophobicContact CB-CE2 4.45Å; F492-F540 HydrophobicContact CB-CZ 3.86Å; F492-F540 HydrophobicContact CD1-CB 4.34Å; F492-F540 AromaticContact CD1-CD1 3.79Å; F492-F540 HydrophobicContact CD1-CD1 3.79Å; F492-F540 AromaticContact CD1-CD2 3.45Å; F492-F540 HydrophobicContact CD1-CD2 3.45Å; F492-F540 VanDerWaalsContact CD1-CD2 3.45Å; F492-F540 AromaticContact CD1-CE1 3.86Å; F492-F540 HydrophobicContact CD1-CE1 3.86Å; F492-F540 AromaticContact CD1-CE2 3.52Å; F492-F540 HydrophobicContact CD1-CE2 3.52Å; F492-F540 AromaticContact CD1-CG 3.59Å; F492-F540 HydrophobicContact CD1-CG 3.59Å; F492-F540 AromaticContact CD1-CZ 3.72Å; F492-F540 HydrophobicContact CD1-CZ 3.72Å; F492-F540 HydrophobicContact CE1-CB 4.42Å; F492-F540 AromaticContact CE1-CD2 3.67Å; F492-F540 HydrophobicContact CE1-CD2 3.67Å; F492-F540 HydrophobicContact CE1-CE2 4.03Å; F492-F540 HydrophobicContact CE1-CG 4.01Å; F492-F540 HydrophobicContact CG-CE1 4.34Å; F492-F540 HydrophobicContact CG-CE2 4.2Å; F492-F540 HydrophobicContact CG-CZ 4.1Å
493H98.4Very high97.7Very high83 Ų8354 Ų5438%0.38428%0.284SS..  trans-133.6149.6176.9-57.2-39.5000110.4D491 G495 Q496 F540D491-H493 VanDerWaalsContact CG-CE1 3.49Å; D491-H493 IonicContact OD1-CE1 3.87Å; D491-H493 PolarHBondContact OD1-CE1 3.25Å; D491-H493 IonicContact OD1-ND1 3.82Å; D491-H493 IonicContact OD2-CE1 3.46Å; D491-H493 PolarHBondContact OD2-CE1 2.85Å; D491-H493 IonicContact OD2-NE2 3.83Å; D491-H493 PolarHBondContact OD2-NE2 3.22Å; D491-H493 VanDerWaalsContact OD2-NE2 3.14Å; H493-G495 PolarHBondContact O-N 3.45Å; H493-Q496 HydrophobicContact CB-CB 4.06Å; H493-Q496 PolarHBondContact CD2-OE1 2.82Å; H493-Q496 VanDerWaalsContact CD2-OE1 3.31Å; H493-Q496 PolarHBondContact O-N 3.26Å; H493-F540 WeakPolarHBondContact O-CD1 2.97Å
494V98.8Very high97.4Very high52 Ų5259.5 Ų59.532%0.31531%0.314SS..THydrogen-bonded Turntrans-59.5129.9171176.40000109.1T449 F451 L465 T541 P544T449-V494 HydrophobicContact CG2-CG1 3.71Å; T449-V494 HydrophobicContact CG2-CG2 4.31Å; F451-V494 HydrophobicContact CE1-CG2 3.84Å; F451-V494 HydrophobicContact CZ-CG2 3.74Å; L465-V494 HydrophobicContact CB-CG2 4.42Å; L465-V494 HydrophobicContact CD1-CG2 4.46Å; V494-T541 HydrophobicContact CG1-CG2 4.47Å; V494-P544 HydrophobicContact CG1-CG 3.71Å
495G98.5Very high97.3Very high21 Ų2163.4 Ų63.422%0.21633%0.334CS..THydrogen-bonded Turntrans78.514.8179.400000115H493 T541 D546H493-G495 PolarHBondContact O-N 3.45Å; G495-T541 VanDerWaalsContact CA-OG1 3.27Å; G495-T541 WeakPolarHBondContact CA-OG1 3.26Å; G495-T541 PolarHBondContact N-OG1 3.23Å; G495-D546 VanDerWaalsContact O-CB 3.24Å; G495-D546 WeakPolarHBondContact O-CB 3.5Å
496Q98.8Very high97.2Very high69 Ų6961.1 Ų61.132%0.32232%0.323SS..  trans-117.7115.6177.4-173-175.851.200110.9H493H493-Q496 HydrophobicContact CB-CB 4.06Å; H493-Q496 PolarHBondContact CD2-OE1 2.82Å; H493-Q496 VanDerWaalsContact CD2-OE1 3.31Å; H493-Q496 PolarHBondContact O-N 3.26Å
497A98.8Very high97.1Very high7 Ų761.6 Ų61.66%0.05833%0.326CS..  trans-84.6166.5175.800000111.5I537 D538 P539 D546 T549A497-I537 HydrophobicContact CB-CG2 3.92Å; A497-D538 CarbonylContact C-O 3.5Å; A497-D538 WeakPolarHBondContact CA-O 3.28Å; A497-D538 WeakPolarHBondContact CB-O 3.34Å; A497-P539 WeakPolarHBondContact CA-O 3.38Å; A497-D546 HydrophobicContact CB-CB 3.63Å; A497-D546 PolarHBondContact N-OD2 3.5Å; A497-T549 HydrophobicContact CB-CG2 4.25Å
498K98.8Very high97.2Very high27 Ų2756.9 Ų56.912%0.11730%0.3CS..EExtended strand (participates in β ladder)trans-122.9124.7178.7-61.7-65-178.3170.40110.6Y486 E490 D491 F492 V500 I537 D538Y486-K498 HydrophobicContact CE1-CB 4.02Å; Y486-K498 HydrophobicContact CE1-CG 3.97Å; Y486-K498 VanDerWaalsContact OH-CB 3.28Å; Y486-K498 WeakPolarHBondContact OH-CB 3.42Å; E490-K498 WeakPolarHBondContact OE1-CE 3.48Å; E490-K498 IonicContact OE1-NZ 2.86Å; E490-K498 PolarHBondContact OE1-NZ 3.08Å; D491-K498 WeakPolarHBondContact O-CE 3.39Å; D491-K498 PolarHBondContact O-NZ 2.98Å; F492-K498 HydrophobicContact CE1-CG 4.19Å; K498-V500 HydrophobicContact CB-CG1 4.03Å; K498-V500 PolarHBondContact O-N 3.22Å; K498-I537 CarbonylContact O-C 3.55Å; K498-I537 WeakPolarHBondContact O-CA 3.31Å; K498-D538 HydrophobicContact CB-CB 4.46Å; K498-D538 PolarHBondContact N-O 3.45Å; K498-D538 PolarHBondContact O-N 3.44Å
499V98.6Very high97.4Very high51 Ų5154.9 Ų54.931%0.30929%0.287SS..EExtended strand (participates in β ladder)trans-80.996.3166.3-1760000107.8K502 R535 V536 I537 T549V499-K502 HydrophobicContact CG1-CB 3.9Å; V499-K502 HydrophobicContact CG1-CD 4.09Å; V499-K502 HydrophobicContact CG1-CG 4.25Å; V499-R535 HydrophobicContact CG1-CG 3.69Å; V499-V536 CarbonylContact C-O 3.52Å; V499-I537 HydrophobicContact CG2-CG1 4.28Å; V499-T549 HydrophobicContact CG2-CG2 3.87Å
500V98.2Very high97.6Very high43 Ų4348.7 Ų48.726%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-84.2-21.6-172.4-640000113.4I485 Y486 K498 L517 L521 V536 D538I485-V500 HydrophobicContact CD1-CB 4.48Å; I485-V500 HydrophobicContact CD1-CG1 4.1Å; Y486-V500 HydrophobicContact CE1-CG1 3.84Å; Y486-V500 WeakPolarHBondContact OH-CG1 3.48Å; K498-V500 HydrophobicContact CB-CG1 4.03Å; K498-V500 PolarHBondContact O-N 3.22Å; V500-L517 HydrophobicContact CG2-CD1 3.97Å; V500-L521 HydrophobicContact CG2-CD2 3.99Å; V500-V536 HydrophobicContact CG2-CB 3.96Å; V500-V536 HydrophobicContact CG2-CG1 3.79Å; V500-V536 WeakPolarHBondContact CG2-O 3.36Å; V500-V536 PolarHBondContact N-O 3.15Å; V500-D538 HydrophobicContact CG1-CB 4.08Å
501Y98.1Very high97.7Very high44 Ų4445.8 Ų45.817%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-144.9131.8174.4-178.3-92.1000109.8T503 A524 I534 R535 V536Y501-T503 HydrophobicContact CE1-CG2 4.22Å; Y501-A524 HydrophobicContact CD1-CB 4.08Å; Y501-A524 HydrophobicContact CE1-CB 3.94Å; Y501-I534 WeakPolarHBondContact CD1-O 3.49Å; Y501-I534 VanDerWaalsContact CE1-O 3.28Å; Y501-I534 WeakPolarHBondContact CE1-O 3.44Å; Y501-R535 CarbonylContact O-C 3.49Å; Y501-R535 WeakPolarHBondContact O-CA 3.45Å; Y501-V536 HydrophobicContact CD1-CG2 4.37Å; Y501-V536 PolarHBondContact N-O 3.16Å; Y501-V536 PolarHBondContact O-N 3.22Å
502K97.5Very high97.8Very high140 Ų14041.4 Ų41.461%0.60922%0.217SC*.  trans-155.1155176.464.3176.9-177.1-179.20111.3V499 D506 R535V499-K502 HydrophobicContact CG1-CB 3.9Å; V499-K502 HydrophobicContact CG1-CD 4.09Å; V499-K502 HydrophobicContact CG1-CG 4.25Å; K502-D506 WeakPolarHBondContact CA-OD2 3.44Å; K502-D506 WeakPolarHBondContact CB-OD2 3.46Å; K502-R535 HydrophobicContact CB-CG 4.32Å
503T95.8Very high97.8Very high35 Ų3541.2 Ų41.222%0.21522%0.216CC..  trans-127.6-178.5168.477.30000109.9Y501 D505 D506 N533Y501-T503 HydrophobicContact CE1-CG2 4.22Å; T503-D505 VanDerWaalsContact C-N 3.32Å; T503-D505 PolarHBondContact OG1-N 2.7Å; T503-D506 WeakPolarHBondContact CA-OD1 3.49Å; T503-D506 WeakPolarHBondContact CB-OD1 3.31Å; T503-D506 VanDerWaalsContact N-CG 3.3Å; T503-D506 PolarHBondContact N-OD1 2.66Å; T503-D506 PolarHBondContact N-OD2 2.94Å; T503-D506 VanDerWaalsContact O-OD2 3.14Å; T503-D506 PolarHBondContact OG1-OD1 2.92Å; T503-N533 HydrophobicContact CG2-CB 4.06Å; T503-N533 WeakPolarHBondContact OG1-CB 3.48Å
504N92.4Very high97.8Very high181 Ų18137.3 Ų37.397%0.96820%0.198SC*.SBendtrans-80.8-12.2175.3-68.2-20.2000113.3
505D94.5Very high97.8Very high85 Ų8535 Ų3546%0.45518%0.184SC..SBendtrans-134.856.3-178-172.632.1000110.4T503 H507 N533 R558T503-D505 VanDerWaalsContact C-N 3.32Å; T503-D505 PolarHBondContact OG1-N 2.7Å; D505-H507 IonicContact OD1-CD2 2.93Å; D505-H507 IonicContact OD1-NE2 3.72Å; D505-H507 IonicContact OD2-NE2 3.58Å; D505-N533 WeakPolarHBondContact O-CB 3.44Å; D505-N533 PolarHBondContact O-ND2 3.28Å; D505-R558 IonicContact OD1-NH2 3.77Å; D505-R558 PolarHBondContact OD1-NH2 3.23Å
506D97.3Very high97.8Very high4 Ų434 Ų342%0.02117%0.174CC..  trans-76134177.2-65.1-30.1000110.6K502 T503 R535 T557K502-D506 WeakPolarHBondContact CA-OD2 3.44Å; K502-D506 WeakPolarHBondContact CB-OD2 3.46Å; T503-D506 WeakPolarHBondContact CA-OD1 3.49Å; T503-D506 WeakPolarHBondContact CB-OD1 3.31Å; T503-D506 VanDerWaalsContact N-CG 3.3Å; T503-D506 PolarHBondContact N-OD1 2.66Å; T503-D506 PolarHBondContact N-OD2 2.94Å; T503-D506 VanDerWaalsContact O-OD2 3.14Å; T503-D506 PolarHBondContact OG1-OD1 2.92Å; D506-R535 HydrophobicContact CB-CB 4.1Å; D506-R535 IonicContact OD2-CZ 2.9Å; D506-R535 IonicContact OD2-NE 2.76Å; D506-R535 PolarHBondContact OD2-NE 2.96Å; D506-R535 IonicContact OD2-NH2 3.85Å; D506-R535 PolarHBondContact OD2-NH2 3Å; D506-T557 HydrophobicContact CB-CG2 3.57Å
507H96.7Very high97.8Very high24 Ų2430.8 Ų30.811%0.11116%0.158CC..  trans-100.4-24.6-174.9-64152.2000115D505 N533 R558 R560 L625D505-H507 IonicContact OD1-CD2 2.93Å; D505-H507 IonicContact OD1-NE2 3.72Å; D505-H507 IonicContact OD2-NE2 3.58Å; H507-N533 WeakPolarHBondContact CB-O 3.32Å; H507-N533 PolarHBondContact N-O 2.93Å; H507-R558 PolarHBondContact CD2-NH2 3.4Å; H507-R558 PolarHBondContact NE2-NH2 3.38Å; H507-R558 VanDerWaalsContact NE2-NH2 3.19Å; H507-R560 WeakPolarHBondContact O-CD 3.29Å; H507-R560 PolarHBondContact O-NH1 3.13Å; H507-L625 HydrophobicContact CB-CD1 4.45Å; H507-L625 HydrophobicContact CB-CD2 3.73Å
508V98.4Very high97.8Very high0 Ų031.3 Ų31.30%016%0.16CC..  trans-146.8138.5-178.5-176.90000108.8V510 I534 R535 R560 I562 V621 L625V508-V510 HydrophobicContact CG1-CG2 4.44Å; V508-I534 HydrophobicContact CB-CG2 4.21Å; V508-I534 WeakPolarHBondContact O-CA 3.46Å; V508-R535 PolarHBondContact O-N 3.15Å; V508-R560 HydrophobicContact CB-CB 4.39Å; V508-R560 HydrophobicContact CG1-CB 4.16Å; V508-R560 HydrophobicContact CG2-CB 4.12Å; V508-I562 HydrophobicContact CG1-CB 4.35Å; V508-I562 HydrophobicContact CG1-CD1 3.74Å; V508-I562 HydrophobicContact CG1-CG1 3.71Å; V508-V621 HydrophobicContact CG2-CG1 4.1Å; V508-L625 HydrophobicContact CG2-CD2 3.96Å
509T98.8Very high97.8Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-89.5119.6168.2-70.80000108.9V511 R535 I537 S553 T557 R560 I561 I562T509-V511 HydrophobicContact CG2-CG2 4.07Å; T509-R535 CarbonylContact C-O 3.19Å; T509-I537 HydrophobicContact CG2-CD1 3.46Å; T509-I537 VanDerWaalsContact CG2-CD1 3.46Å; T509-I537 HydrophobicContact CG2-CG1 3.99Å; T509-S553 VanDerWaalsContact OG1-C 3.3Å; T509-S553 PolarHBondContact OG1-O 3.25Å; T509-T557 WeakPolarHBondContact CB-OG1 3.33Å; T509-T557 PolarHBondContact N-OG1 3.39Å; T509-T557 VanDerWaalsContact N-OG1 3.1Å; T509-T557 WeakPolarHBondContact OG1-CG2 3.26Å; T509-T557 PolarHBondContact OG1-OG1 2.95Å; T509-R560 PolarHBondContact N-O 3.09Å; T509-I561 CarbonylContact O-C 3.6Å; T509-I561 VanDerWaalsContact O-CA 3.32Å; T509-I561 WeakPolarHBondContact O-CA 3.41Å; T509-I562 PolarHBondContact O-N 2.98Å
510V98.9Very high97.8Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-103.5124.1174-176.40000108.7V508 A520 I534 R535 V536 I537 I562 V564 I617 V621V508-V510 HydrophobicContact CG1-CG2 4.44Å; V510-A520 HydrophobicContact CG1-CB 3.8Å; V510-I534 HydrophobicContact CB-CD1 4.41Å; V510-I534 HydrophobicContact CG2-CB 4.25Å; V510-I534 HydrophobicContact CG2-CD1 3.74Å; V510-I534 HydrophobicContact CG2-CG2 4.5Å; V510-R535 PolarHBondContact N-O 3.24Å; V510-V536 CarbonylContact O-C 3.39Å; V510-V536 WeakPolarHBondContact O-CA 3.28Å; V510-I537 PolarHBondContact O-N 3.28Å; V510-I562 CarbonylContact C-O 3.52Å; V510-I562 VanDerWaalsContact CA-O 3.28Å; V510-I562 WeakPolarHBondContact CA-O 3.47Å; V510-I562 HydrophobicContact CG2-CB 4.34Å; V510-V564 HydrophobicContact CG1-CG1 4.09Å; V510-I617 HydrophobicContact CG1-CG2 4.17Å; V510-I617 HydrophobicContact CG2-CG2 4.47Å; V510-V621 HydrophobicContact CG2-CG2 4.25Å
511V98.9Very high97.8Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-111116.8177.3-168.20000108.1T509 I537 P539 I561 I562 T563 V564 L573T509-V511 HydrophobicContact CG2-CG2 4.07Å; V511-I537 HydrophobicContact CG1-CB 4.4Å; V511-I537 HydrophobicContact CG1-CG2 4.43Å; V511-I537 HydrophobicContact CG2-CB 4.3Å; V511-I537 HydrophobicContact CG2-CD1 4.48Å; V511-P539 HydrophobicContact CG1-CG 3.59Å; V511-I561 HydrophobicContact CG2-CG2 4.23Å; V511-I562 PolarHBondContact N-O 3.37Å; V511-T563 HydrophobicContact CB-CG2 4.32Å; V511-T563 WeakPolarHBondContact O-CA 3.44Å; V511-V564 PolarHBondContact O-N 3.26Å; V511-L573 HydrophobicContact CG1-CD1 4.2Å; V511-L573 HydrophobicContact CG1-CD2 4.25Å
512G98.8Very high97.8Very high0 Ų028.5 Ų28.50%015%0.147CC..EExtended strand (participates in β ladder)trans-139.1161.6179.800000110.9L517 I537 P539G512-L517 WeakPolarHBondContact O-CD1 3.41Å; G512-I537 PolarHBondContact N-O 2.83Å; G512-I537 VanDerWaalsContact N-O 3.15Å; G512-P539 WeakPolarHBondContact O-CD 3.36Å
513A98.8Very high97.8Very high0 Ų021.9 Ų21.90%012%0.118CC..  trans-147.6147.4-177.300000110.9Y452 V515 T516Y452-A513 HydrophobicContact CD1-CB 3.32Å; Y452-A513 HydrophobicContact CE1-CB 3.57Å; Y452-A513 HydrophobicContact CG-CB 3.9Å; Y452-A513 PolarHBondContact OH-O 2.73Å; A513-V515 PolarHBondContact O-N 3.48Å; A513-T516 PolarHBondContact N-OG1 2.94Å; A513-T516 VanDerWaalsContact N-OG1 3.09Å; A513-T516 PolarHBondContact O-N 3.49Å; A513-T516 PolarHBondContact O-OG1 3.28Å
514G98.4Very high98Very high0 Ų020.2 Ų20.20%011%0.108CC..THydrogen-bonded Turntrans61.8-127.2-17600000111.5S454 T516 L517S454-G514 PolarHBondContact OG-N 3.01Å; G514-T516 VanDerWaalsContact C-N 3.3Å; G514-T516 PolarHBondContact O-N 3.09Å; G514-L517 PolarHBondContact O-N 2.98Å
515V98.6Very high98.2Very high5 Ų516.1 Ų16.13%0.038%0.083CC..Hα-helixtrans-62.2-34.6179.5-630000113P480 A513 L517 Q518 E519 D566 L607P480-V515 HydrophobicContact CG-CG1 4.11Å; A513-V515 PolarHBondContact O-N 3.48Å; V515-L517 VanDerWaalsContact C-N 3.3Å; V515-L517 PolarHBondContact O-N 3.37Å; V515-Q518 PolarHBondContact O-N 2.87Å; V515-E519 PolarHBondContact O-N 2.99Å; V515-D566 HydrophobicContact CG2-CB 3.86Å; V515-L607 HydrophobicContact CG2-CD2 4.27Å
516T98.9Very high98.3Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-75.6-20.5-176.5650000112.7A513 G514 A520 V564 D566A513-T516 PolarHBondContact N-OG1 2.94Å; A513-T516 VanDerWaalsContact N-OG1 3.09Å; A513-T516 PolarHBondContact O-N 3.49Å; A513-T516 PolarHBondContact O-OG1 3.28Å; G514-T516 VanDerWaalsContact C-N 3.3Å; G514-T516 PolarHBondContact O-N 3.09Å; T516-A520 WeakPolarHBondContact O-CB 3.32Å; T516-A520 PolarHBondContact O-N 2.92Å; T516-V564 WeakPolarHBondContact CB-O 3.5Å; T516-V564 HydrophobicContact CG2-CG2 4.03Å; T516-V564 PolarHBondContact OG1-O 3.09Å; T516-D566 HydrophobicContact CG2-CB 4.11Å
517L98.8Very high98.3Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-65.5-42.9170.5-174.872.5000111.2S454 I485 V500 G512 G514 V515 A520 L521 V536 D538S454-L517 WeakPolarHBondContact OG-CD2 3.44Å; I485-L517 HydrophobicContact CD1-CD2 3.6Å; V500-L517 HydrophobicContact CG2-CD1 3.97Å; G512-L517 WeakPolarHBondContact O-CD1 3.41Å; G514-L517 PolarHBondContact O-N 2.98Å; V515-L517 VanDerWaalsContact C-N 3.3Å; V515-L517 PolarHBondContact O-N 3.37Å; L517-A520 PolarHBondContact O-N 3.32Å; L517-L521 WeakPolarHBondContact O-CG 3.47Å; L517-L521 PolarHBondContact O-N 2.84Å; L517-V536 HydrophobicContact CD1-CG1 3.63Å; L517-D538 HydrophobicContact CD1-CB 3.91Å; L517-D538 HydrophobicContact CD2-CB 3.68Å; L517-D538 WeakPolarHBondContact CD2-OD2 3.45Å; L517-D538 HydrophobicContact CG-CB 4.46Å
518Q98Very high98.3Very high18 Ų1817.8 Ų17.88%0.0849%0.089CC..Hα-helixtrans-67.1-39.9178.3-61.9-69.4-28.700111.4N482 N483 V515 A520 L521 T522N482-Q518 HydrophobicContact CB-CG 3.85Å; N483-Q518 PolarHBondContact O-NE2 2.91Å; V515-Q518 PolarHBondContact O-N 2.87Å; Q518-A520 VanDerWaalsContact C-N 3.33Å; Q518-L521 PolarHBondContact O-N 2.89Å; Q518-T522 WeakPolarHBondContact O-CB 3.46Å; Q518-T522 PolarHBondContact O-N 3.48Å; Q518-T522 PolarHBondContact O-OG1 3.14Å
519E98.8Very high98.2Very high24 Ų2426.2 Ų26.211%0.11213%0.126CC..Hα-helixtrans-64-37.8173-67.7-61.7133.100111.4V515 T522 A523 L607 R614 I617V515-E519 PolarHBondContact O-N 2.99Å; E519-T522 PolarHBondContact O-N 3.25Å; E519-A523 WeakPolarHBondContact O-CB 3.12Å; E519-A523 PolarHBondContact O-N 2.87Å; E519-L607 HydrophobicContact CG-CD1 4.29Å; E519-R614 HydrophobicContact CB-CB 4.49Å; E519-R614 WeakPolarHBondContact O-CB 3.05Å; E519-R614 IonicContact OE1-CZ 2.74Å; E519-R614 IonicContact OE1-NE 3.11Å; E519-R614 IonicContact OE1-NH2 3.95Å; E519-R614 PolarHBondContact OE1-NH2 3.2Å; E519-R614 VanDerWaalsContact OE2-CB 3.26Å; E519-R614 WeakPolarHBondContact OE2-CB 3.5Å; E519-R614 IonicContact OE2-CZ 2.91Å; E519-R614 PolarHBondContact OE2-N 2.94Å; E519-R614 IonicContact OE2-NE 3.14Å; E519-R614 PolarHBondContact OE2-NE 2.79Å; E519-R614 IonicContact OE2-NH2 3.4Å; E519-R614 PolarHBondContact OE2-NH2 3.15Å; E519-I617 HydrophobicContact CB-CD1 3.96Å
520A98.9Very high98Very high0 Ų030.4 Ų30.40%015%0.146CC..Hα-helixtrans-66.6-42.1174.800000113.2V510 T516 L517 Q518 T522 A523 A524 V536 I617V510-A520 HydrophobicContact CG1-CB 3.8Å; T516-A520 WeakPolarHBondContact O-CB 3.32Å; T516-A520 PolarHBondContact O-N 2.92Å; L517-A520 PolarHBondContact O-N 3.32Å; Q518-A520 VanDerWaalsContact C-N 3.33Å; A520-T522 VanDerWaalsContact C-N 3.31Å; A520-T522 PolarHBondContact O-N 3.46Å; A520-A523 PolarHBondContact O-N 3.38Å; A520-A524 PolarHBondContact O-N 3.49Å; A520-V536 HydrophobicContact CB-CG1 3.91Å; A520-I617 HydrophobicContact CB-CD1 4.16Å
521L98.6Very high97.8Very high35 Ų3540.9 Ų40.918%0.18319%0.185CC..Hα-helixtrans-61.8-40.8172.9-71.9172.7000111.2I485 V500 L517 Q518 A524 E525 V536I485-L521 HydrophobicContact CD1-CD1 4.32Å; I485-L521 HydrophobicContact CG2-CD1 4.1Å; V500-L521 HydrophobicContact CG2-CD2 3.99Å; L517-L521 WeakPolarHBondContact O-CG 3.47Å; L517-L521 PolarHBondContact O-N 2.84Å; Q518-L521 PolarHBondContact O-N 2.89Å; L521-A524 WeakPolarHBondContact O-CB 3.32Å; L521-A524 PolarHBondContact O-N 3.04Å; L521-E525 PolarHBondContact O-N 3.49Å; L521-V536 HydrophobicContact CD2-CB 4.28Å; L521-V536 HydrophobicContact CD2-CG1 4.29Å; L521-V536 HydrophobicContact CD2-CG2 4.39Å; L521-V536 HydrophobicContact CG-CG1 4.48Å
522T98.1Very high97.8Very high48 Ų4842 Ų4229%0.29419%0.191SC..Hα-helixtrans-67.4-39.2176.2-53.40000111.8Q518 E519 A520 A524 E525 T526 R614Q518-T522 WeakPolarHBondContact O-CB 3.46Å; Q518-T522 PolarHBondContact O-N 3.48Å; Q518-T522 PolarHBondContact O-OG1 3.14Å; E519-T522 PolarHBondContact O-N 3.25Å; A520-T522 VanDerWaalsContact C-N 3.31Å; A520-T522 PolarHBondContact O-N 3.46Å; T522-A524 VanDerWaalsContact C-N 3.28Å; T522-A524 PolarHBondContact O-N 3.02Å; T522-E525 PolarHBondContact O-N 3.19Å; T522-T526 PolarHBondContact O-N 2.95Å; T522-T526 PolarHBondContact O-OG1 3.5Å; T522-R614 HydrophobicContact CG2-CB 4.36Å
523A98.6Very high97.7Very high0 Ų043.6 Ų43.60%020%0.199CC..Hα-helixtrans-61.5-37.3173.500000111.6E519 A520 E525 T526 L527 R614 I617E519-A523 WeakPolarHBondContact O-CB 3.12Å; E519-A523 PolarHBondContact O-N 2.87Å; A520-A523 PolarHBondContact O-N 3.38Å; A523-E525 PolarHBondContact O-N 2.94Å; A523-T526 PolarHBondContact O-N 3.03Å; A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 VanDerWaalsContact O-CG 3.29Å; A523-L527 WeakPolarHBondContact O-CG 3.35Å; A523-L527 PolarHBondContact O-N 3.42Å; A523-R614 HydrophobicContact CB-CB 4.26Å; A523-R614 WeakPolarHBondContact CB-O 3.15Å; A523-I617 HydrophobicContact CB-CB 3.97Å; A523-I617 HydrophobicContact CB-CG2 3.71Å
524A98.3Very high97.7Very high1 Ų143.7 Ų43.71%0.00820%0.2CC..Hα-helixtrans-59.4-44.4175.700000111.9Y501 A520 L521 T522 T526 L527 K528 I534 V536Y501-A524 HydrophobicContact CD1-CB 4.08Å; Y501-A524 HydrophobicContact CE1-CB 3.94Å; A520-A524 PolarHBondContact O-N 3.49Å; L521-A524 WeakPolarHBondContact O-CB 3.32Å; L521-A524 PolarHBondContact O-N 3.04Å; T522-A524 VanDerWaalsContact C-N 3.28Å; T522-A524 PolarHBondContact O-N 3.02Å; A524-T526 VanDerWaalsContact C-N 3.35Å; A524-T526 PolarHBondContact O-N 3.22Å; A524-L527 PolarHBondContact O-N 2.67Å; A524-K528 VanDerWaalsContact O-CB 3.28Å; A524-K528 WeakPolarHBondContact O-CB 3.45Å; A524-K528 PolarHBondContact O-N 2.85Å; A524-I534 HydrophobicContact CB-CD1 3.8Å; A524-I534 HydrophobicContact CB-CG1 3.67Å; A524-V536 HydrophobicContact CB-CG2 4.44Å
525E96.9Very high97.7Very high95 Ų9545.5 Ų45.544%0.44421%0.207SC..Hα-helixtrans-65.5-35.7176.9-69.9-56.814200112.9L521 T522 A523L521-E525 PolarHBondContact O-N 3.49Å; T522-E525 PolarHBondContact O-N 3.19Å; A523-E525 PolarHBondContact O-N 2.94Å
526T96.6Very high97.7Very high43 Ų4345.2 Ų45.226%0.26421%0.205SC..Hα-helixtrans-67-50.3174-62.30000111.3T522 A523 A524 K528 K529T522-T526 PolarHBondContact O-N 2.95Å; T522-T526 PolarHBondContact O-OG1 3.5Å; A523-T526 PolarHBondContact O-N 3.03Å; A524-T526 VanDerWaalsContact C-N 3.35Å; A524-T526 PolarHBondContact O-N 3.22Å; T526-K528 VanDerWaalsContact C-N 3.29Å; T526-K528 PolarHBondContact O-N 3.34Å; T526-K529 WeakPolarHBondContact O-CB 3.42Å; T526-K529 PolarHBondContact O-N 3.36Å
527L97.8Very high97.7Very high0 Ų045.2 Ų45.20%021%0.205CC..Hα-helixtrans-65.2-30.8-178.6-72.9165.9000112.9A523 A524 K529 E530 R531 I532 I534 A618 V621 R622A523-L527 WeakPolarHBondContact O-CB 3.46Å; A523-L527 VanDerWaalsContact O-CG 3.29Å; A523-L527 WeakPolarHBondContact O-CG 3.35Å; A523-L527 PolarHBondContact O-N 3.42Å; A524-L527 PolarHBondContact O-N 2.67Å; L527-K529 PolarHBondContact O-N 2.99Å; L527-E530 CarbonylContact O-C 3.6Å; L527-E530 WeakPolarHBondContact O-CA 3.46Å; L527-E530 WeakPolarHBondContact O-CB 3.45Å; L527-E530 PolarHBondContact O-N 3.17Å; L527-R531 PolarHBondContact O-N 3.04Å; L527-I532 CarbonylContact C-O 3.4Å; L527-I532 HydrophobicContact CB-CB 4.12Å; L527-I532 HydrophobicContact CB-CG2 4.28Å; L527-I532 WeakPolarHBondContact CB-O 3.38Å; L527-I532 HydrophobicContact CD2-CB 4.28Å; L527-I532 HydrophobicContact CD2-CD1 4.19Å; L527-I532 HydrophobicContact CD2-CG2 4.19Å; L527-I532 PolarHBondContact O-N 2.82Å; L527-I534 HydrophobicContact CD1-CD1 4.08Å; L527-I534 HydrophobicContact CD1-CG1 4.44Å; L527-I534 HydrophobicContact CD1-CG2 3.92Å; L527-A618 HydrophobicContact CD1-CB 4.37Å; L527-A618 HydrophobicContact CD2-CB 4.06Å; L527-A618 HydrophobicContact CG-CB 4.07Å; L527-V621 HydrophobicContact CD1-CB 3.91Å; L527-V621 HydrophobicContact CD1-CG1 3.86Å; L527-V621 HydrophobicContact CD1-CG2 3.89Å; L527-V621 HydrophobicContact CD2-CB 4.42Å; L527-V621 HydrophobicContact CD2-CG1 4.22Å; L527-R622 HydrophobicContact CD2-CG 4.3Å
528K96.3Very high97.7Very high105 Ų10545.2 Ų45.246%0.45721%0.205SC..Hα-helixtrans-58.9-34.9174.6-175.1178-178.5178.10112.6A524 T526 E530 R531 I532A524-K528 VanDerWaalsContact O-CB 3.28Å; A524-K528 WeakPolarHBondContact O-CB 3.45Å; A524-K528 PolarHBondContact O-N 2.85Å; T526-K528 VanDerWaalsContact C-N 3.29Å; T526-K528 PolarHBondContact O-N 3.34Å; K528-E530 PolarHBondContact O-N 2.9Å; K528-R531 PolarHBondContact O-N 3.39Å; K528-I532 PolarHBondContact N-O 3.21Å
529K95.9Very high97.8Very high177 Ų17744.4 Ų44.477%0.7720%0.201SC*.Hα-helixtrans-64.3-24.4174.6-60.4172.2-174.5172.90112.2T526 L527T526-K529 WeakPolarHBondContact O-CB 3.42Å; T526-K529 PolarHBondContact O-N 3.36Å; L527-K529 PolarHBondContact O-N 2.99Å
530E95.3Very high97.8Very high88 Ų8843.2 Ų43.241%0.41120%0.196SC..THydrogen-bonded Turntrans-94.47.3175.5-61.4172.2-154.700112.6L527 K528 I532 R622L527-E530 CarbonylContact O-C 3.6Å; L527-E530 WeakPolarHBondContact O-CA 3.46Å; L527-E530 WeakPolarHBondContact O-CB 3.45Å; L527-E530 PolarHBondContact O-N 3.17Å; K528-E530 PolarHBondContact O-N 2.9Å; E530-I532 HydrophobicContact CB-CD1 4.23Å; E530-I532 HydrophobicContact CB-CG1 4.44Å; E530-I532 PolarHBondContact O-N 3.26Å; E530-R622 IonicContact OE1-CZ 3.69Å; E530-R622 IonicContact OE1-NE 3.33Å; E530-R622 IonicContact OE1-NH2 3.75Å; E530-R622 PolarHBondContact OE1-NH2 3.16Å; E530-R622 IonicContact OE2-CZ 3.5Å; E530-R622 IonicContact OE2-NE 3.52Å; E530-R622 PolarHBondContact OE2-NE 3.05Å; E530-R622 IonicContact OE2-NH2 2.85Å; E530-R622 PolarHBondContact OE2-NH2 3.42Å
531R95.8Very high97.8Very high219 Ų21943.2 Ų43.283%0.82620%0.196SC*.THydrogen-bonded Turntrans59.430.4-174.7-52178.7179173.7-1113.2L527 K528L527-R531 PolarHBondContact O-N 3.04Å; K528-R531 PolarHBondContact O-N 3.39Å
532I97.3Very high97.8Very high25 Ų2541.7 Ų41.713%0.12819%0.188CC..  trans-106.1111.9171.8-63.5166.8000107.6L527 K528 E530 V621 R622 L625L527-I532 CarbonylContact C-O 3.4Å; L527-I532 HydrophobicContact CB-CB 4.12Å; L527-I532 HydrophobicContact CB-CG2 4.28Å; L527-I532 WeakPolarHBondContact CB-O 3.38Å; L527-I532 HydrophobicContact CD2-CB 4.28Å; L527-I532 HydrophobicContact CD2-CD1 4.19Å; L527-I532 HydrophobicContact CD2-CG2 4.19Å; L527-I532 PolarHBondContact O-N 2.82Å; K528-I532 PolarHBondContact N-O 3.21Å; E530-I532 HydrophobicContact CB-CD1 4.23Å; E530-I532 HydrophobicContact CB-CG1 4.44Å; E530-I532 PolarHBondContact O-N 3.26Å; I532-V621 HydrophobicContact CG2-CG1 3.73Å; I532-R622 HydrophobicContact CD1-CG 4.28Å; I532-L625 HydrophobicContact CB-CD1 4.5Å; I532-L625 HydrophobicContact CD1-CD1 4.01Å; I532-L625 HydrophobicContact CG1-CD1 4.02Å; I532-L625 HydrophobicContact CG2-CD1 3.68Å
533N97.8Very high97.8Very high33 Ų3341.8 Ų41.818%0.17618%0.184CC..  trans-93140.4173.4-51.2-50.9000110T503 D505 H507T503-N533 HydrophobicContact CG2-CB 4.06Å; T503-N533 WeakPolarHBondContact OG1-CB 3.48Å; D505-N533 WeakPolarHBondContact O-CB 3.44Å; D505-N533 PolarHBondContact O-ND2 3.28Å; H507-N533 WeakPolarHBondContact CB-O 3.32Å; H507-N533 PolarHBondContact N-O 2.93Å
534I98.6Very high97.8Very high1 Ų144.8 Ų44.81%0.00520%0.203CC..  trans-122.9152.2171.259.3168000109.3Y501 V508 V510 A524 L527 V536 V621Y501-I534 WeakPolarHBondContact CD1-O 3.49Å; Y501-I534 VanDerWaalsContact CE1-O 3.28Å; Y501-I534 WeakPolarHBondContact CE1-O 3.44Å; V508-I534 HydrophobicContact CB-CG2 4.21Å; V508-I534 WeakPolarHBondContact O-CA 3.46Å; V510-I534 HydrophobicContact CB-CD1 4.41Å; V510-I534 HydrophobicContact CG2-CB 4.25Å; V510-I534 HydrophobicContact CG2-CD1 3.74Å; V510-I534 HydrophobicContact CG2-CG2 4.5Å; A524-I534 HydrophobicContact CB-CD1 3.8Å; A524-I534 HydrophobicContact CB-CG1 3.67Å; L527-I534 HydrophobicContact CD1-CD1 4.08Å; L527-I534 HydrophobicContact CD1-CG1 4.44Å; L527-I534 HydrophobicContact CD1-CG2 3.92Å; I534-V536 HydrophobicContact CD1-CG2 4.03Å; I534-V536 HydrophobicContact CG1-CG2 4.24Å; I534-V621 HydrophobicContact CG2-CG1 3.8Å; I534-V621 HydrophobicContact CG2-CG2 3.89Å
535R98.7Very high97.9Very high38 Ų3846 Ų4614%0.14321%0.21CC..EExtended strand (participates in β ladder)trans-93.4136.4167-177.8161.7-67.1-173.45.2108.7V499 Y501 K502 D506 V508 T509 V510 T557V499-R535 HydrophobicContact CG1-CG 3.69Å; Y501-R535 CarbonylContact O-C 3.49Å; Y501-R535 WeakPolarHBondContact O-CA 3.45Å; K502-R535 HydrophobicContact CB-CG 4.32Å; D506-R535 HydrophobicContact CB-CB 4.1Å; D506-R535 IonicContact OD2-CZ 2.9Å; D506-R535 IonicContact OD2-NE 2.76Å; D506-R535 PolarHBondContact OD2-NE 2.96Å; D506-R535 IonicContact OD2-NH2 3.85Å; D506-R535 PolarHBondContact OD2-NH2 3Å; V508-R535 PolarHBondContact O-N 3.15Å; T509-R535 CarbonylContact C-O 3.19Å; V510-R535 PolarHBondContact N-O 3.24Å; R535-T557 HydrophobicContact CB-CG2 3.84Å
536V98.9Very high97.9Very high0 Ų042.4 Ų42.40%019%0.193CC..EExtended strand (participates in β ladder)trans-116.7129.3178.1-1730000109.8V499 V500 Y501 V510 L517 A520 L521 A524 I534V499-V536 CarbonylContact C-O 3.52Å; V500-V536 HydrophobicContact CG2-CB 3.96Å; V500-V536 HydrophobicContact CG2-CG1 3.79Å; V500-V536 WeakPolarHBondContact CG2-O 3.36Å; V500-V536 PolarHBondContact N-O 3.15Å; Y501-V536 HydrophobicContact CD1-CG2 4.37Å; Y501-V536 PolarHBondContact N-O 3.16Å; Y501-V536 PolarHBondContact O-N 3.22Å; V510-V536 CarbonylContact O-C 3.39Å; V510-V536 WeakPolarHBondContact O-CA 3.28Å; L517-V536 HydrophobicContact CD1-CG1 3.63Å; A520-V536 HydrophobicContact CB-CG1 3.91Å; L521-V536 HydrophobicContact CD2-CB 4.28Å; L521-V536 HydrophobicContact CD2-CG1 4.29Å; L521-V536 HydrophobicContact CD2-CG2 4.39Å; L521-V536 HydrophobicContact CG-CG1 4.48Å; A524-V536 HydrophobicContact CB-CG2 4.44Å; I534-V536 HydrophobicContact CD1-CG2 4.03Å; I534-V536 HydrophobicContact CG1-CG2 4.24Å
537I98.9Very high98Very high0 Ų042.4 Ų42.40%020%0.195CC..EExtended strand (participates in β ladder)trans-117.9129.6179.4-58.3-177.8000109.6A497 K498 V499 T509 V510 V511 G512 I550 S553A497-I537 HydrophobicContact CB-CG2 3.92Å; K498-I537 CarbonylContact O-C 3.55Å; K498-I537 WeakPolarHBondContact O-CA 3.31Å; V499-I537 HydrophobicContact CG2-CG1 4.28Å; T509-I537 HydrophobicContact CG2-CD1 3.46Å; T509-I537 VanDerWaalsContact CG2-CD1 3.46Å; T509-I537 HydrophobicContact CG2-CG1 3.99Å; V510-I537 PolarHBondContact O-N 3.28Å; V511-I537 HydrophobicContact CG1-CB 4.4Å; V511-I537 HydrophobicContact CG1-CG2 4.43Å; V511-I537 HydrophobicContact CG2-CB 4.3Å; V511-I537 HydrophobicContact CG2-CD1 4.48Å; G512-I537 PolarHBondContact N-O 2.83Å; G512-I537 VanDerWaalsContact N-O 3.15Å; I537-I550 HydrophobicContact CD1-CG1 4.46Å; I537-S553 WeakPolarHBondContact CD1-OG 3.36Å
538D98.9Very high98Very high0 Ų049 Ų490%022%0.224CC..EExtended strand (participates in β ladder)trans-94.4116.8161.1-174.1-9.2000108.8S454 Y486 A497 K498 V500 L517 F540S454-D538 WeakPolarHBondContact CB-OD2 3.24Å; S454-D538 VanDerWaalsContact OG-CG 3.27Å; S454-D538 PolarHBondContact OG-OD1 3.02Å; S454-D538 PolarHBondContact OG-OD2 3.47Å; Y486-D538 VanDerWaalsContact OH-CB 3.29Å; Y486-D538 WeakPolarHBondContact OH-CB 3.31Å; Y486-D538 PolarHBondContact OH-OD2 3.13Å; A497-D538 CarbonylContact C-O 3.5Å; A497-D538 WeakPolarHBondContact CA-O 3.28Å; A497-D538 WeakPolarHBondContact CB-O 3.34Å; K498-D538 HydrophobicContact CB-CB 4.46Å; K498-D538 PolarHBondContact N-O 3.45Å; K498-D538 PolarHBondContact O-N 3.44Å; V500-D538 HydrophobicContact CG1-CB 4.08Å; L517-D538 HydrophobicContact CD1-CB 3.91Å; L517-D538 HydrophobicContact CD2-CB 3.68Å; L517-D538 WeakPolarHBondContact CD2-OD2 3.45Å; L517-D538 HydrophobicContact CG-CB 4.46Å; D538-F540 PolarHBondContact O-N 2.87Å; D538-F540 PolarHBondContact OD1-N 2.81Å
539P98.8Very high98.2Very high0 Ų045.7 Ų45.70%021%0.213CC..  trans-60-29.2176.3-24.233.7000114.4A497 V511 G512 T541 I542 L545 L573A497-P539 WeakPolarHBondContact CA-O 3.38Å; V511-P539 HydrophobicContact CG1-CG 3.59Å; G512-P539 WeakPolarHBondContact O-CD 3.36Å; P539-T541 PolarHBondContact O-N 3.01Å; P539-I542 HydrophobicContact CB-CD1 4.07Å; P539-I542 HydrophobicContact CG-CD1 4.24Å; P539-L545 HydrophobicContact CB-CD1 4.26Å; P539-L573 HydrophobicContact CB-CD1 4.5Å; P539-L573 HydrophobicContact CG-CD1 3.76Å; P539-L573 HydrophobicContact CG-CD2 4.28Å
540F98.9Very high98.3Very high0 Ų037.3 Ų37.30%018%0.176CC..SBendtrans57.9-57.1-165.4179.4-118.5000114.6F451 Y452 A462 L465 F492 H493 D538F451-F540 HydrophobicContact CD1-CE1 4.07Å; F451-F540 HydrophobicContact CD1-CE2 4.46Å; F451-F540 AromaticContact CD1-CZ 3.89Å; F451-F540 HydrophobicContact CD1-CZ 3.89Å; F451-F540 HydrophobicContact CE1-CE1 4.17Å; F451-F540 HydrophobicContact CE1-CZ 4.21Å; Y452-F540 PolarHBondContact N-O 3.2Å; A462-F540 HydrophobicContact CB-CE2 4.22Å; A462-F540 HydrophobicContact CB-CZ 4.34Å; L465-F540 HydrophobicContact CD1-CE1 3.68Å; L465-F540 HydrophobicContact CD1-CZ 3.76Å; F492-F540 HydrophobicContact CB-CE1 3.91Å; F492-F540 HydrophobicContact CB-CE2 4.45Å; F492-F540 HydrophobicContact CB-CZ 3.86Å; F492-F540 HydrophobicContact CD1-CB 4.34Å; F492-F540 AromaticContact CD1-CD1 3.79Å; F492-F540 HydrophobicContact CD1-CD1 3.79Å; F492-F540 AromaticContact CD1-CD2 3.45Å; F492-F540 HydrophobicContact CD1-CD2 3.45Å; F492-F540 VanDerWaalsContact CD1-CD2 3.45Å; F492-F540 AromaticContact CD1-CE1 3.86Å; F492-F540 HydrophobicContact CD1-CE1 3.86Å; F492-F540 AromaticContact CD1-CE2 3.52Å; F492-F540 HydrophobicContact CD1-CE2 3.52Å; F492-F540 AromaticContact CD1-CG 3.59Å; F492-F540 HydrophobicContact CD1-CG 3.59Å; F492-F540 AromaticContact CD1-CZ 3.72Å; F492-F540 HydrophobicContact CD1-CZ 3.72Å; F492-F540 HydrophobicContact CE1-CB 4.42Å; F492-F540 AromaticContact CE1-CD2 3.67Å; F492-F540 HydrophobicContact CE1-CD2 3.67Å; F492-F540 HydrophobicContact CE1-CE2 4.03Å; F492-F540 HydrophobicContact CE1-CG 4.01Å; F492-F540 HydrophobicContact CG-CE1 4.34Å; F492-F540 HydrophobicContact CG-CE2 4.2Å; F492-F540 HydrophobicContact CG-CZ 4.1Å; H493-F540 WeakPolarHBondContact O-CD1 2.97Å; D538-F540 PolarHBondContact O-N 2.87Å; D538-F540 PolarHBondContact OD1-N 2.81Å
541T98.9Very high98.4Very high0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-110.7131.1168.3540000111.5I450 F451 V494 G495 P539 P544I450-T541 CarbonylContact O-C 3.49Å; I450-T541 WeakPolarHBondContact O-CA 3.33Å; I450-T541 WeakPolarHBondContact O-CB 3.27Å; F451-T541 HydrophobicContact CD1-CG2 3.55Å; F451-T541 HydrophobicContact CE1-CG2 3.79Å; F451-T541 HydrophobicContact CG-CG2 4.23Å; V494-T541 HydrophobicContact CG1-CG2 4.47Å; G495-T541 VanDerWaalsContact CA-OG1 3.27Å; G495-T541 WeakPolarHBondContact CA-OG1 3.26Å; G495-T541 PolarHBondContact N-OG1 3.23Å; P539-T541 PolarHBondContact O-N 3.01Å; T541-P544 WeakPolarHBondContact CB-O 3.34Å; T541-P544 PolarHBondContact OG1-O 2.97Å
542I98.9Very high98.5Very high3 Ų326.5 Ų26.52%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-81.3-28.9173.5-49.9-60.9000110.5L439 I450 Y452 P539 L573L439-I542 HydrophobicContact CD2-CG1 4.09Å; I450-I542 HydrophobicContact CB-CB 4.33Å; I450-I542 HydrophobicContact CG2-CB 3.97Å; I450-I542 HydrophobicContact CG2-CG1 4.17Å; I450-I542 PolarHBondContact O-N 2.91Å; Y452-I542 HydrophobicContact CD1-CD1 4.26Å; Y452-I542 HydrophobicContact CD1-CG1 4.44Å; P539-I542 HydrophobicContact CB-CD1 4.07Å; P539-I542 HydrophobicContact CG-CD1 4.24Å; I542-L573 HydrophobicContact CD1-CB 4.42Å; I542-L573 HydrophobicContact CD1-CD1 3.94Å
543K98.8Very high98.6Very high50 Ų5025.6 Ų25.622%0.21713%0.133CC..EExtended strand (participates in β ladder)trans-144.8122.4174.6-178.9174.9167.4-1710109.6R443 I445 P446 S448 T449 I450R443-K543 HydrophobicContact CG-CB 4.45Å; R443-K543 PolarHBondContact O-NZ 2.86Å; I445-K543 PolarHBondContact O-NZ 2.84Å; P446-K543 PolarHBondContact O-NZ 2.9Å; S448-K543 WeakPolarHBondContact O-CE 3.25Å; S448-K543 WeakPolarHBondContact OG-CD 3.5Å; S448-K543 VanDerWaalsContact OG-CE 3.31Å; S448-K543 WeakPolarHBondContact OG-CE 3.38Å; S448-K543 PolarHBondContact OG-NZ 2.84Å; T449-K543 CarbonylContact C-O 3.59Å; T449-K543 WeakPolarHBondContact CA-O 3.39Å; I450-K543 HydrophobicContact CB-CB 4.21Å; I450-K543 HydrophobicContact CD1-CB 3.95Å; I450-K543 HydrophobicContact CD1-CD 4.43Å; I450-K543 HydrophobicContact CG1-CB 4.19Å; I450-K543 PolarHBondContact N-O 3.1Å
544P98.8Very high98.6Very high62 Ų6224 Ų2440%0.40313%0.125SC..SBendcis-62.4148.8-11.828.2-33.9000111.8V494 T541V494-P544 HydrophobicContact CG1-CG 3.71Å; T541-P544 WeakPolarHBondContact CB-O 3.34Å; T541-P544 PolarHBondContact OG1-O 2.97Å
545L98.6Very high98.5Very high28 Ų2830.3 Ų30.315%0.14715%0.148CC..  trans-91.8139.7176.8-169.971.7000109.7P539 S547 I550 L573 A576 V577 A580P539-L545 HydrophobicContact CB-CD1 4.26Å; L545-S547 PolarHBondContact O-N 3Å; L545-I550 HydrophobicContact CD1-CD1 3.94Å; L545-I550 HydrophobicContact CD2-CD1 3.78Å; L545-I550 HydrophobicContact CG-CD1 3.75Å; L545-L573 HydrophobicContact CD1-CD1 4.36Å; L545-A576 HydrophobicContact CD2-CB 4.19Å; L545-V577 HydrophobicContact CD2-CG2 4.03Å; L545-A580 HydrophobicContact CD2-CB 3.98Å
546D98.7Very high98.5Very high18 Ų1831 Ų3110%0.09616%0.162CC..  trans-77.274.4172.8-169.9-12.4000111.3G495 A497 K548 T549 I550G495-D546 VanDerWaalsContact O-CB 3.24Å; G495-D546 WeakPolarHBondContact O-CB 3.5Å; A497-D546 HydrophobicContact CB-CB 3.63Å; A497-D546 PolarHBondContact N-OD2 3.5Å; D546-K548 PolarHBondContact O-N 2.52Å; D546-K548 PolarHBondContact OD1-N 3.2Å; D546-T549 VanDerWaalsContact CG-CB 3.46Å; D546-T549 PolarHBondContact O-N 2.83Å; D546-T549 PolarHBondContact OD1-N 3.39Å; D546-T549 PolarHBondContact OD1-OG1 3.02Å; D546-T549 WeakPolarHBondContact OD2-CB 3.4Å; D546-T549 PolarHBondContact OD2-OG1 2.81Å; D546-I550 WeakPolarHBondContact O-CG1 3.45Å; D546-I550 PolarHBondContact O-N 2.9Å
547S98.1Very high98.4Very high44 Ų4431 Ų3131%0.30816%0.162SC..Hα-helixtrans-57.2-33.9179.4-55.20000111.9L545 I550 I551 A580L545-S547 PolarHBondContact O-N 3Å; S547-I550 PolarHBondContact O-N 2.72Å; S547-I551 VanDerWaalsContact O-CB 3.29Å; S547-I551 WeakPolarHBondContact O-CB 3.19Å; S547-I551 WeakPolarHBondContact O-CD1 3.42Å; S547-I551 WeakPolarHBondContact O-CG1 3.24Å; S547-I551 PolarHBondContact O-N 3.01Å; S547-A580 WeakPolarHBondContact OG-CB 3.26Å
548K98.4Very high98.2Very high139 Ų13937.4 Ų37.460%0.60419%0.187SC*.Hα-helixtrans-64.1-53.6-178.1178.3173.817146.60111.1D546 I550 I551 D552D546-K548 PolarHBondContact O-N 2.52Å; D546-K548 PolarHBondContact OD1-N 3.2Å; K548-I550 VanDerWaalsContact C-N 3.26Å; K548-I550 PolarHBondContact O-N 3.32Å; K548-I551 PolarHBondContact O-N 3.4Å; K548-D552 IonicContact NZ-OD2 3.74Å; K548-D552 PolarHBondContact NZ-OD2 3.23Å; K548-D552 WeakPolarHBondContact O-CB 3.21Å; K548-D552 PolarHBondContact O-N 3.27Å
549T98.6Very high98.1Very high35 Ų3537.6 Ų37.622%0.21519%0.189CC..Hα-helixtrans-62-37.2-179.3-65.50000111.7A497 V499 D546 S553A497-T549 HydrophobicContact CB-CG2 4.25Å; V499-T549 HydrophobicContact CG2-CG2 3.87Å; D546-T549 VanDerWaalsContact CG-CB 3.46Å; D546-T549 PolarHBondContact O-N 2.83Å; D546-T549 PolarHBondContact OD1-N 3.39Å; D546-T549 PolarHBondContact OD1-OG1 3.02Å; D546-T549 WeakPolarHBondContact OD2-CB 3.4Å; D546-T549 PolarHBondContact OD2-OG1 2.81Å; T549-S553 WeakPolarHBondContact O-CB 3.39Å; T549-S553 PolarHBondContact O-N 2.75Å; T549-S553 PolarHBondContact O-OG 3.4Å
550I98.5Very high98.1Very high0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-66-49177.3-67169.2000110.8I537 L545 D546 S547 K548 S553 A554 I561 V577 V581I537-I550 HydrophobicContact CD1-CG1 4.46Å; L545-I550 HydrophobicContact CD1-CD1 3.94Å; L545-I550 HydrophobicContact CD2-CD1 3.78Å; L545-I550 HydrophobicContact CG-CD1 3.75Å; D546-I550 WeakPolarHBondContact O-CG1 3.45Å; D546-I550 PolarHBondContact O-N 2.9Å; S547-I550 PolarHBondContact O-N 2.72Å; K548-I550 VanDerWaalsContact C-N 3.26Å; K548-I550 PolarHBondContact O-N 3.32Å; I550-S553 PolarHBondContact O-N 3.39Å; I550-A554 VanDerWaalsContact O-CB 3.32Å; I550-A554 WeakPolarHBondContact O-CB 3.34Å; I550-A554 PolarHBondContact O-N 3.36Å; I550-I561 HydrophobicContact CG2-CD1 4.34Å; I550-V577 HydrophobicContact CD1-CG2 4.19Å; I550-V577 HydrophobicContact CG2-CG1 4.25Å; I550-V581 HydrophobicContact CG2-CG1 4.24Å
551I98.4Very high98.1Very high17 Ų1739.2 Ų39.29%0.08720%0.195CC..Hα-helixtrans-62.3-47.7178.9-72.1167.5000110.9S547 K548 S553 A554 R555 V581 E584 F587S547-I551 VanDerWaalsContact O-CB 3.29Å; S547-I551 WeakPolarHBondContact O-CB 3.19Å; S547-I551 WeakPolarHBondContact O-CD1 3.42Å; S547-I551 WeakPolarHBondContact O-CG1 3.24Å; S547-I551 PolarHBondContact O-N 3.01Å; K548-I551 PolarHBondContact O-N 3.4Å; I551-S553 VanDerWaalsContact C-N 3.28Å; I551-S553 PolarHBondContact O-N 2.67Å; I551-A554 PolarHBondContact O-N 2.9Å; I551-R555 WeakPolarHBondContact O-CG 3.45Å; I551-R555 PolarHBondContact O-N 3.28Å; I551-V581 HydrophobicContact CG1-CG1 4.04Å; I551-E584 HydrophobicContact CD1-CG 3.97Å; I551-E584 HydrophobicContact CG1-CG 4.34Å; I551-F587 HydrophobicContact CB-CE2 4.38Å; I551-F587 HydrophobicContact CG1-CE2 4.16Å; I551-F587 HydrophobicContact CG2-CE2 3.96Å; I551-F587 HydrophobicContact CG2-CZ 3.98Å
552D98.2Very high98.1Very high64 Ų6439.2 Ų39.234%0.34220%0.195SC..Hα-helixtrans-64-36-179.4-71.9-19.7000111.3K548 R555 A556K548-D552 IonicContact NZ-OD2 3.74Å; K548-D552 PolarHBondContact NZ-OD2 3.23Å; K548-D552 WeakPolarHBondContact O-CB 3.21Å; K548-D552 PolarHBondContact O-N 3.27Å; D552-R555 IonicContact OD1-NH1 3.23Å; D552-R555 PolarHBondContact OD1-NH1 3.17Å; D552-A556 PolarHBondContact O-N 3.38Å
553S98.4Very high98.1Very high5 Ų539.1 Ų39.14%0.03519%0.194CC..Hα-helixtrans-70-42.9173.3-65.40000112.6T509 I537 T549 I550 I551 R555 A556 T557T509-S553 VanDerWaalsContact OG1-C 3.3Å; T509-S553 PolarHBondContact OG1-O 3.25Å; I537-S553 WeakPolarHBondContact CD1-OG 3.36Å; T549-S553 WeakPolarHBondContact O-CB 3.39Å; T549-S553 PolarHBondContact O-N 2.75Å; T549-S553 PolarHBondContact O-OG 3.4Å; I550-S553 PolarHBondContact O-N 3.39Å; I551-S553 VanDerWaalsContact C-N 3.28Å; I551-S553 PolarHBondContact O-N 2.67Å; S553-R555 VanDerWaalsContact C-N 3.31Å; S553-R555 PolarHBondContact O-N 2.89Å; S553-A556 CarbonylContact O-C 3.52Å; S553-A556 WeakPolarHBondContact O-CB 3.47Å; S553-A556 PolarHBondContact O-N 3.06Å; S553-A556 VanDerWaalsContact O-N 3.1Å; S553-T557 WeakPolarHBondContact O-CG2 3.28Å; S553-T557 PolarHBondContact O-N 3.48Å; S553-T557 PolarHBondContact O-OG1 3.36Å
554A97.5Very high98.1Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-59.8-41.6176.800000111.5I550 I551 A556 T557 R558 G559 I561 F587I550-A554 VanDerWaalsContact O-CB 3.32Å; I550-A554 WeakPolarHBondContact O-CB 3.34Å; I550-A554 PolarHBondContact O-N 3.36Å; I551-A554 PolarHBondContact O-N 2.9Å; A554-A556 VanDerWaalsContact C-N 3.34Å; A554-A556 PolarHBondContact O-N 3.42Å; A554-T557 CarbonylContact O-C 3.55Å; A554-T557 VanDerWaalsContact O-C 3.27Å; A554-T557 PolarHBondContact O-N 2.96Å; A554-T557 VanDerWaalsContact O-N 3.08Å; A554-T557 PolarHBondContact O-OG1 3.09Å; A554-R558 PolarHBondContact O-N 3.24Å; A554-G559 VanDerWaalsContact O-CA 3.28Å; A554-G559 WeakPolarHBondContact O-CA 3.31Å; A554-G559 PolarHBondContact O-N 2.73Å; A554-I561 HydrophobicContact CB-CD1 3.59Å; A554-I561 HydrophobicContact CB-CG1 3.61Å; A554-F587 HydrophobicContact CB-CD1 4.29Å; A554-F587 HydrophobicContact CB-CE1 4.03Å; A554-F587 HydrophobicContact CB-CE2 4.48Å; A554-F587 HydrophobicContact CB-CZ 4.14Å
555R97.2Very high98.1Very high133 Ų13333.9 Ų33.950%0.50217%0.165SC..Hα-helixtrans-58.4-46173-70.4173.8-177.9150.1-2.3111.4I551 D552 S553 T557 R558 E584 F587I551-R555 WeakPolarHBondContact O-CG 3.45Å; I551-R555 PolarHBondContact O-N 3.28Å; D552-R555 IonicContact OD1-NH1 3.23Å; D552-R555 PolarHBondContact OD1-NH1 3.17Å; S553-R555 VanDerWaalsContact C-N 3.31Å; S553-R555 PolarHBondContact O-N 2.89Å; R555-T557 PolarHBondContact O-N 3.22Å; R555-R558 PolarHBondContact O-N 3.23Å; R555-E584 IonicContact CZ-OE2 3.04Å; R555-E584 IonicContact NH2-OE2 2.82Å; R555-E584 PolarHBondContact NH2-OE2 3.39Å; R555-F587 HydrophobicContact CG-CE1 3.85Å; R555-F587 HydrophobicContact CG-CZ 3.69Å
556A97.4Very high98.1Very high53 Ų5332.5 Ų32.544%0.43816%0.158SC..Hα-helixtrans-64.1-25.1176.700000113D552 S553 A554D552-A556 PolarHBondContact O-N 3.38Å; S553-A556 CarbonylContact O-C 3.52Å; S553-A556 WeakPolarHBondContact O-CB 3.47Å; S553-A556 PolarHBondContact O-N 3.06Å; S553-A556 VanDerWaalsContact O-N 3.1Å; A554-A556 VanDerWaalsContact C-N 3.34Å; A554-A556 PolarHBondContact O-N 3.42Å
557T97.4Very high98.1Very high0 Ų031.7 Ų31.70%015%0.153CC..THydrogen-bonded Turntrans-107.738.6179.766.30000113.2D506 T509 R535 S553 A554 R555 G559 R560D506-T557 HydrophobicContact CB-CG2 3.57Å; T509-T557 WeakPolarHBondContact CB-OG1 3.33Å; T509-T557 PolarHBondContact N-OG1 3.39Å; T509-T557 VanDerWaalsContact N-OG1 3.1Å; T509-T557 WeakPolarHBondContact OG1-CG2 3.26Å; T509-T557 PolarHBondContact OG1-OG1 2.95Å; R535-T557 HydrophobicContact CB-CG2 3.84Å; S553-T557 WeakPolarHBondContact O-CG2 3.28Å; S553-T557 PolarHBondContact O-N 3.48Å; S553-T557 PolarHBondContact O-OG1 3.36Å; A554-T557 CarbonylContact O-C 3.55Å; A554-T557 VanDerWaalsContact O-C 3.27Å; A554-T557 PolarHBondContact O-N 2.96Å; A554-T557 VanDerWaalsContact O-N 3.08Å; A554-T557 PolarHBondContact O-OG1 3.09Å; R555-T557 PolarHBondContact O-N 3.22Å; T557-G559 PolarHBondContact O-N 3.14Å; T557-G559 VanDerWaalsContact O-N 3.15Å; T557-R560 PolarHBondContact O-N 3.14Å; T557-R560 VanDerWaalsContact O-N 3.15Å; T557-R560 PolarHBondContact OG1-O 3.15Å
558R95.9Very high98.2Very high135 Ų13532 Ų3251%0.50915%0.148SC..THydrogen-bonded Turntrans5832.8171.5-49.5176.7-171.8172.88.6113.3D505 H507 A554 R555 R560D505-R558 IonicContact OD1-NH2 3.77Å; D505-R558 PolarHBondContact OD1-NH2 3.23Å; H507-R558 PolarHBondContact CD2-NH2 3.4Å; H507-R558 PolarHBondContact NE2-NH2 3.38Å; H507-R558 VanDerWaalsContact NE2-NH2 3.19Å; A554-R558 PolarHBondContact O-N 3.24Å; R555-R558 PolarHBondContact O-N 3.23Å; R558-R560 VanDerWaalsContact C-N 3.27Å; R558-R560 PolarHBondContact O-N 2.94Å
559G96.6Very high98.2Very high4 Ų428.4 Ų28.44%0.04113%0.131CC..THydrogen-bonded Turntrans71.312.5178.100000115.6A554 T557 G586 F587 T588A554-G559 VanDerWaalsContact O-CA 3.28Å; A554-G559 WeakPolarHBondContact O-CA 3.31Å; A554-G559 PolarHBondContact O-N 2.73Å; T557-G559 PolarHBondContact O-N 3.14Å; T557-G559 VanDerWaalsContact O-N 3.15Å; G559-G586 WeakPolarHBondContact CA-O 3.49Å; G559-F587 CarbonylContact O-C 3.48Å; G559-F587 VanDerWaalsContact O-CA 3.27Å; G559-F587 WeakPolarHBondContact O-CA 3.48Å; G559-T588 PolarHBondContact O-N 3.07Å; G559-T588 PolarHBondContact O-OG1 2.91Å
560R98.1Very high98.2Very high31 Ų3132.7 Ų32.712%0.11715%0.149CC..EExtended strand (participates in β ladder)trans-99.3122.2-176.7-62.8167.8-170.4151.7-6110.8H507 V508 T509 T557 R558 S628H507-R560 WeakPolarHBondContact O-CD 3.29Å; H507-R560 PolarHBondContact O-NH1 3.13Å; V508-R560 HydrophobicContact CB-CB 4.39Å; V508-R560 HydrophobicContact CG1-CB 4.16Å; V508-R560 HydrophobicContact CG2-CB 4.12Å; T509-R560 PolarHBondContact N-O 3.09Å; T557-R560 PolarHBondContact O-N 3.14Å; T557-R560 VanDerWaalsContact O-N 3.15Å; T557-R560 PolarHBondContact OG1-O 3.15Å; R558-R560 VanDerWaalsContact C-N 3.27Å; R558-R560 PolarHBondContact O-N 2.94Å; R560-S628 PolarHBondContact NE-OG 2.86Å; R560-S628 PolarHBondContact NH2-OG 3.44Å
561I98.8Very high98.2Very high2 Ų233.2 Ų33.21%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-121.5131.7178.4-51.9174.8000108.7T509 V511 I550 A554 T563 V577 V581 T588 V589 H590T509-I561 CarbonylContact O-C 3.6Å; T509-I561 VanDerWaalsContact O-CA 3.32Å; T509-I561 WeakPolarHBondContact O-CA 3.41Å; V511-I561 HydrophobicContact CG2-CG2 4.23Å; I550-I561 HydrophobicContact CG2-CD1 4.34Å; A554-I561 HydrophobicContact CB-CD1 3.59Å; A554-I561 HydrophobicContact CB-CG1 3.61Å; I561-T563 HydrophobicContact CG2-CG2 4.27Å; I561-V577 HydrophobicContact CG2-CG1 4.07Å; I561-V581 HydrophobicContact CD1-CG1 4.07Å; I561-V581 HydrophobicContact CD1-CG2 4.3Å; I561-T588 PolarHBondContact N-O 3.02Å; I561-V589 HydrophobicContact CB-CG2 4.28Å; I561-V589 HydrophobicContact CD1-CG2 4.26Å; I561-V589 HydrophobicContact CG2-CG1 4.42Å; I561-V589 CarbonylContact O-C 3.41Å; I561-V589 WeakPolarHBondContact O-CA 3.34Å; I561-H590 PolarHBondContact O-N 3.22Å
562I98.9Very high98.2Very high1 Ų132.4 Ų32.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-116.7127.7165.2-62.8175.8000107.1V508 T509 V510 V511 H590 L592 A620 V621V508-I562 HydrophobicContact CG1-CB 4.35Å; V508-I562 HydrophobicContact CG1-CD1 3.74Å; V508-I562 HydrophobicContact CG1-CG1 3.71Å; T509-I562 PolarHBondContact O-N 2.98Å; V510-I562 CarbonylContact C-O 3.52Å; V510-I562 VanDerWaalsContact CA-O 3.28Å; V510-I562 WeakPolarHBondContact CA-O 3.47Å; V510-I562 HydrophobicContact CG2-CB 4.34Å; V511-I562 PolarHBondContact N-O 3.37Å; I562-H590 CarbonylContact C-O 3.44Å; I562-H590 VanDerWaalsContact CA-O 3.31Å; I562-H590 WeakPolarHBondContact CA-O 3.39Å; I562-H590 HydrophobicContact CG1-CB 4.17Å; I562-L592 HydrophobicContact CG2-CD1 4.26Å; I562-L592 HydrophobicContact CG2-CG 4.38Å; I562-A620 HydrophobicContact CD1-CB 3.94Å; I562-V621 HydrophobicContact CD1-CB 4.27Å; I562-V621 HydrophobicContact CD1-CG2 3.6Å
563T98.9Very high98.2Very high0 Ų029.5 Ų29.50%014%0.135CC..EExtended strand (participates in β ladder)trans-104.4139.3169.255.40000108.4V511 I561 G574 V577 V589 H590 R591 L592V511-T563 HydrophobicContact CB-CG2 4.32Å; V511-T563 WeakPolarHBondContact O-CA 3.44Å; I561-T563 HydrophobicContact CG2-CG2 4.27Å; T563-G574 WeakPolarHBondContact OG1-CA 3.36Å; T563-V577 HydrophobicContact CG2-CB 3.77Å; T563-V577 HydrophobicContact CG2-CG1 3.8Å; T563-V577 HydrophobicContact CG2-CG2 3.79Å; T563-V589 HydrophobicContact CG2-CG1 4.26Å; T563-H590 PolarHBondContact N-O 3.07Å; T563-H590 PolarHBondContact OG1-O 3.31Å; T563-R591 WeakPolarHBondContact OG1-CG 3.29Å; T563-L592 PolarHBondContact O-N 3.19Å
564V98.9Very high98.3Very high0 Ų029.2 Ų29.20%013%0.133CC..EExtended strand (participates in β ladder)trans-136.1122.2177.158.30000110.6V510 V511 T516 L592 I612 I617V510-V564 HydrophobicContact CG1-CG1 4.09Å; V511-V564 PolarHBondContact O-N 3.26Å; T516-V564 WeakPolarHBondContact CB-O 3.5Å; T516-V564 HydrophobicContact CG2-CG2 4.03Å; T516-V564 PolarHBondContact OG1-O 3.09Å; V564-L592 VanDerWaalsContact CA-O 3.3Å; V564-L592 WeakPolarHBondContact CA-O 3.45Å; V564-L592 HydrophobicContact CB-CB 4.13Å; V564-L592 HydrophobicContact CG2-CB 3.97Å; V564-L592 HydrophobicContact CG2-CD1 4.4Å; V564-I612 HydrophobicContact CG2-CB 3.95Å; V564-I612 HydrophobicContact CG2-CG2 4.22Å; V564-I617 HydrophobicContact CB-CD1 4.34Å; V564-I617 HydrophobicContact CB-CG1 4.18Å; V564-I617 HydrophobicContact CG1-CD1 3.86Å; V564-I617 HydrophobicContact CG1-CG1 4.12Å; V564-I617 HydrophobicContact CG2-CD1 3.98Å; V564-I617 HydrophobicContact CG2-CG1 3.91Å
565E98.9Very high98.3Very high2 Ų232.3 Ų32.31%0.00915%0.147CC..EExtended strand (participates in β ladder)trans-140.9142.1-174.764.6-174.1119.900113.7H567 G572 L573 G574 L592 A593E565-H567 HydrophobicContact CB-CB 4.38Å; E565-H567 HydrophobicContact CG-CB 4.08Å; E565-H567 PolarHBondContact O-N 2.94Å; E565-H567 VanDerWaalsContact O-N 3.16Å; E565-H567 WeakPolarHBondContact OE2-CB 3.49Å; E565-H567 IonicContact OE2-CG 2.67Å; E565-H567 IonicContact OE2-ND1 3.43Å; E565-G572 VanDerWaalsContact OE2-CA 3.22Å; E565-G572 WeakPolarHBondContact OE2-CA 3.37Å; E565-L573 HydrophobicContact CB-CB 4.26Å; E565-L573 VanDerWaalsContact CD-N 3.35Å; E565-L573 PolarHBondContact OE1-N 2.86Å; E565-L573 PolarHBondContact OE2-N 3.22Å; E565-G574 WeakPolarHBondContact OE1-CA 3.33Å; E565-G574 PolarHBondContact OE1-N 3.46Å; E565-L592 PolarHBondContact N-O 3.38Å; E565-A593 HydrophobicContact CG-CB 3.8Å
566D98.8Very high98.4Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-87.667170.8-165.64000109.6G423 V424 S425 R476 V515 T516 I612G423-D566 WeakPolarHBondContact CA-OD1 3.26Å; G423-D566 WeakPolarHBondContact CA-OD2 3.33Å; V424-D566 WeakPolarHBondContact CG2-OD1 3.32Å; V424-D566 VanDerWaalsContact N-CG 3.31Å; V424-D566 PolarHBondContact N-OD1 2.83Å; V424-D566 PolarHBondContact N-OD2 3.35Å; S425-D566 VanDerWaalsContact CB-OD2 3.22Å; S425-D566 WeakPolarHBondContact CB-OD2 3.16Å; S425-D566 PolarHBondContact N-OD2 3.22Å; S425-D566 PolarHBondContact OG-OD2 2.89Å; R476-D566 PolarHBondContact NH1-O 3.39Å; R476-D566 PolarHBondContact NH2-O 3.25Å; V515-D566 HydrophobicContact CG2-CB 3.86Å; T516-D566 HydrophobicContact CG2-CB 4.11Å; D566-I612 HydrophobicContact CB-CD1 3.86Å
567H98.9Very high98.5Very high0 Ų023.9 Ų23.90%011%0.106CC..EExtended strand (participates in β ladder)trans-161163.5-174.3-175-84.3000108.4L436 E437 D438 L439 A440 E565 E570 A593 V594L436-H567 VanDerWaalsContact C-CD2 3.42Å; L436-H567 PolarHBondContact O-CD2 2.81Å; L436-H567 PolarHBondContact O-CE1 2.82Å; L436-H567 PolarHBondContact O-ND1 2.92Å; L436-H567 PolarHBondContact O-NE2 2.97Å; L436-H567 VanDerWaalsContact O-NE2 3.09Å; E437-H567 VanDerWaalsContact C-NE2 3.3Å; E437-H567 VanDerWaalsContact CA-NE2 3.31Å; E437-H567 WeakPolarHBondContact CA-NE2 3.39Å; D438-H567 PolarHBondContact N-NE2 2.94Å; D438-H567 IonicContact OD1-CD2 2.66Å; L439-H567 WeakPolarHBondContact CB-NE2 3.35Å; L439-H567 HydrophobicContact CD1-CB 4.27Å; L439-H567 PolarHBondContact N-NE2 3.35Å; L439-H567 VanDerWaalsContact N-NE2 3.19Å; A440-H567 PolarHBondContact N-NE2 2.86Å; E565-H567 HydrophobicContact CB-CB 4.38Å; E565-H567 HydrophobicContact CG-CB 4.08Å; E565-H567 PolarHBondContact O-N 2.94Å; E565-H567 VanDerWaalsContact O-N 3.16Å; E565-H567 WeakPolarHBondContact OE2-CB 3.49Å; E565-H567 IonicContact OE2-CG 2.67Å; E565-H567 IonicContact OE2-ND1 3.43Å; H567-E570 PolarHBondContact CE1-O 2.76Å; H567-A593 WeakPolarHBondContact O-CB 3.29Å; H567-V594 WeakPolarHBondContact O-CB 3.27Å; H567-V594 PolarHBondContact O-N 3.35Å
568Y98.9Very high98.5Very high51 Ų5125.8 Ų25.820%0.212%0.119CC..EExtended strand (participates in β ladder)trans-65.1164.1170.1-67.7-50.2000112.5L436 E437 E570 V594L436-Y568 HydrophobicContact CB-CD1 4.38Å; L436-Y568 HydrophobicContact CB-CD2 3.58Å; L436-Y568 HydrophobicContact CB-CE1 4.23Å; L436-Y568 HydrophobicContact CB-CE2 3.39Å; L436-Y568 HydrophobicContact CB-CG 4.07Å; L436-Y568 HydrophobicContact CD1-CE1 4.12Å; L436-Y568 HydrophobicContact CD1-CE2 4.33Å; L436-Y568 HydrophobicContact CG-CE2 4.49Å; L436-Y568 WeakPolarHBondContact O-CB 3.41Å; L436-Y568 WeakPolarHBondContact O-CD2 3.37Å; L436-Y568 PolarHBondContact O-N 3.39Å; E437-Y568 HydrophobicContact CB-CD2 4.39Å; Y568-E570 VanDerWaalsContact C-N 3.34Å; Y568-E570 PolarHBondContact O-N 3.02Å; Y568-V594 WeakPolarHBondContact CA-O 3.43Å; Y568-V594 HydrophobicContact CD1-CB 4.21Å; Y568-V594 HydrophobicContact CD1-CG1 4.12Å; Y568-V594 WeakPolarHBondContact CD1-O 3.38Å; Y568-V594 HydrophobicContact CE1-CG1 3.97Å
569Y98.8Very high98.6Very high63 Ų6323.3 Ų23.325%0.24712%0.123CC..SBendtrans-63.5-38.6-179.5-87.4-85.6000113.3R591 A593Y569-R591 HydrophobicContact CD1-CB 4.15Å; Y569-R591 HydrophobicContact CE1-CB 3.77Å; Y569-R591 WeakPolarHBondContact CE1-O 3.34Å; Y569-R591 PolarHBondContact O-NH1 3.43Å; Y569-R591 PolarHBondContact OH-O 2.9Å; Y569-R591 VanDerWaalsContact OH-O 3.05Å; Y569-A593 HydrophobicContact CD1-CB 3.9Å; Y569-A593 HydrophobicContact CD2-CB 3.78Å; Y569-A593 HydrophobicContact CE1-CB 3.98Å; Y569-A593 HydrophobicContact CE2-CB 3.84Å; Y569-A593 VanDerWaalsContact CE2-O 3.23Å; Y569-A593 WeakPolarHBondContact CE2-O 2.95Å; Y569-A593 HydrophobicContact CG-CB 3.81Å
570E98.8Very high98.6Very high126 Ų12624.4 Ų24.459%0.58913%0.131SC*.THydrogen-bonded Turntrans-80.7129.8-172.1-6274.2-164.800110.9H567 Y568 G572H567-E570 PolarHBondContact CE1-O 2.76Å; Y568-E570 VanDerWaalsContact C-N 3.34Å; Y568-E570 PolarHBondContact O-N 3.02Å; E570-G572 PolarHBondContact O-N 3.24Å; E570-G572 VanDerWaalsContact O-N 3.14Å
571G98.5Very high98.6Very high11 Ų1123.2 Ų23.211%0.11313%0.127CC..THydrogen-bonded Turntrans69.15.8174.200000116A440 R443 E575A440-G571 WeakPolarHBondContact CA-O 3.44Å; A440-G571 PolarHBondContact N-O 2.79Å; R443-G571 VanDerWaalsContact CD-O 3.27Å; R443-G571 WeakPolarHBondContact CD-O 3.33Å; R443-G571 VanDerWaalsContact NH1-C 3.33Å; R443-G571 PolarHBondContact NH1-O 3.16Å; G571-E575 WeakPolarHBondContact CA-OE2 3.47Å; G571-E575 VanDerWaalsContact N-CD 3.33Å; G571-E575 PolarHBondContact N-OE2 2.93Å
572G98.6Very high98.5Very high0 Ų028.2 Ų28.20%016%0.158CC..SBendtrans-83.6-162179.700000115.8E565 E570 A576E565-G572 VanDerWaalsContact OE2-CA 3.22Å; E565-G572 WeakPolarHBondContact OE2-CA 3.37Å; E570-G572 PolarHBondContact O-N 3.24Å; E570-G572 VanDerWaalsContact O-N 3.14Å; G572-A576 PolarHBondContact O-N 3.41Å; G572-A576 VanDerWaalsContact O-N 3.09Å
573L98.8Very high98.3Very high2 Ų235.2 Ų35.21%0.0120%0.195CC..Hα-helixtrans-58.4-46174.2169.561.1000111.4V511 P539 I542 L545 E565 E575 A576 V577V511-L573 HydrophobicContact CG1-CD1 4.2Å; V511-L573 HydrophobicContact CG1-CD2 4.25Å; P539-L573 HydrophobicContact CB-CD1 4.5Å; P539-L573 HydrophobicContact CG-CD1 3.76Å; P539-L573 HydrophobicContact CG-CD2 4.28Å; I542-L573 HydrophobicContact CD1-CB 4.42Å; I542-L573 HydrophobicContact CD1-CD1 3.94Å; L545-L573 HydrophobicContact CD1-CD1 4.36Å; E565-L573 HydrophobicContact CB-CB 4.26Å; E565-L573 VanDerWaalsContact CD-N 3.35Å; E565-L573 PolarHBondContact OE1-N 2.86Å; E565-L573 PolarHBondContact OE2-N 3.22Å; L573-E575 VanDerWaalsContact C-N 3.33Å; L573-E575 PolarHBondContact O-N 2.93Å; L573-A576 WeakPolarHBondContact O-CB 3.45Å; L573-A576 PolarHBondContact O-N 3.37Å; L573-A576 VanDerWaalsContact O-N 3.15Å; L573-V577 HydrophobicContact CD1-CG2 3.86Å; L573-V577 HydrophobicContact CG-CG2 4.43Å; L573-V577 WeakPolarHBondContact O-CG2 3.32Å; L573-V577 PolarHBondContact O-N 3.08Å
574G98.8Very high98Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-59.1-43-178.400000112.1T563 E565 C578T563-G574 WeakPolarHBondContact OG1-CA 3.36Å; E565-G574 WeakPolarHBondContact OE1-CA 3.33Å; E565-G574 PolarHBondContact OE1-N 3.46Å; G574-C578 WeakPolarHBondContact O-CB 3.46Å; G574-C578 PolarHBondContact O-N 3.07Å; G574-C578 PolarHBondContact O-SG 3.36Å
575E98.8Very high97.8Very high64 Ų6443.9 Ų43.930%0.29925%0.246SC..Hα-helixtrans-70-39173.6-74.5-164.717100113.2G571 L573 V577 C578 S579 R591G571-E575 WeakPolarHBondContact CA-OE2 3.47Å; G571-E575 VanDerWaalsContact N-CD 3.33Å; G571-E575 PolarHBondContact N-OE2 2.93Å; L573-E575 VanDerWaalsContact C-N 3.33Å; L573-E575 PolarHBondContact O-N 2.93Å; E575-V577 VanDerWaalsContact C-N 3.28Å; E575-V577 PolarHBondContact O-N 3.42Å; E575-C578 PolarHBondContact O-N 3.29Å; E575-S579 PolarHBondContact O-N 3.09Å; E575-S579 PolarHBondContact O-OG 2.72Å; E575-S579 VanDerWaalsContact O-OG 3.11Å; E575-R591 IonicContact OE1-NH1 3.87Å; E575-R591 PolarHBondContact OE1-NH1 2.91Å
576A98.8Very high97.5Very high10 Ų1047 Ų478%0.08328%0.278CS..Hα-helixtrans-58.2-43174.800000111.6L545 G572 L573 A580L545-A576 HydrophobicContact CD2-CB 4.19Å; G572-A576 PolarHBondContact O-N 3.41Å; G572-A576 VanDerWaalsContact O-N 3.09Å; L573-A576 WeakPolarHBondContact O-CB 3.45Å; L573-A576 PolarHBondContact O-N 3.37Å; L573-A576 VanDerWaalsContact O-N 3.15Å; A576-A580 WeakPolarHBondContact O-CB 3.43Å; A576-A580 PolarHBondContact O-N 2.98Å
577V98.8Very high97.4Very high0 Ų048.8 Ų48.80%029%0.286CS..Hα-helixtrans-67.3-46.7175.9173.70000111.1L545 I550 I561 T563 L573 E575 S579 A580 V581 V589L545-V577 HydrophobicContact CD2-CG2 4.03Å; I550-V577 HydrophobicContact CD1-CG2 4.19Å; I550-V577 HydrophobicContact CG2-CG1 4.25Å; I561-V577 HydrophobicContact CG2-CG1 4.07Å; T563-V577 HydrophobicContact CG2-CB 3.77Å; T563-V577 HydrophobicContact CG2-CG1 3.8Å; T563-V577 HydrophobicContact CG2-CG2 3.79Å; L573-V577 HydrophobicContact CD1-CG2 3.86Å; L573-V577 HydrophobicContact CG-CG2 4.43Å; L573-V577 WeakPolarHBondContact O-CG2 3.32Å; L573-V577 PolarHBondContact O-N 3.08Å; E575-V577 VanDerWaalsContact C-N 3.28Å; E575-V577 PolarHBondContact O-N 3.42Å; V577-S579 VanDerWaalsContact C-N 3.33Å; V577-S579 PolarHBondContact O-N 2.81Å; V577-A580 WeakPolarHBondContact O-CB 3.36Å; V577-A580 PolarHBondContact O-N 2.75Å; V577-A580 VanDerWaalsContact O-N 3.07Å; V577-V581 WeakPolarHBondContact O-CG2 3.24Å; V577-V581 PolarHBondContact O-N 3.32Å; V577-V581 VanDerWaalsContact O-N 3.11Å; V577-V589 HydrophobicContact CG1-CG1 4.47Å
578C98.6Very high97.3Very high39 Ų3952.9 Ų52.926%0.26431%0.311SS..Hα-helixtrans-54.3-49.2175.3-76.10000111.5G574 E575 A580 V581 V582G574-C578 WeakPolarHBondContact O-CB 3.46Å; G574-C578 PolarHBondContact O-N 3.07Å; G574-C578 PolarHBondContact O-SG 3.36Å; E575-C578 PolarHBondContact O-N 3.29Å; C578-A580 VanDerWaalsContact C-N 3.26Å; C578-A580 PolarHBondContact O-N 3.48Å; C578-V581 PolarHBondContact O-N 2.7Å; C578-V582 WeakPolarHBondContact O-CB 3.26Å; C578-V582 PolarHBondContact O-N 3.32Å
579S97.9Very high97.2Very high84 Ų8452.7 Ų52.759%0.58732%0.315SS*.Hα-helixtrans-61.1-34.4177.2-60.80000112.9E575 V577 V581E575-S579 PolarHBondContact O-N 3.09Å; E575-S579 PolarHBondContact O-OG 2.72Å; E575-S579 VanDerWaalsContact O-OG 3.11Å; V577-S579 VanDerWaalsContact C-N 3.33Å; V577-S579 PolarHBondContact O-N 2.81Å; S579-V581 VanDerWaalsContact C-N 3.34Å
580A96.7Very high97.2Very high27 Ų2753.2 Ų53.222%0.22332%0.32CS..Hα-helixtrans-70.7-27.3178.500000113.6L545 S547 A576 V577 C578L545-A580 HydrophobicContact CD2-CB 3.98Å; S547-A580 WeakPolarHBondContact OG-CB 3.26Å; A576-A580 WeakPolarHBondContact O-CB 3.43Å; A576-A580 PolarHBondContact O-N 2.98Å; V577-A580 WeakPolarHBondContact O-CB 3.36Å; V577-A580 PolarHBondContact O-N 2.75Å; V577-A580 VanDerWaalsContact O-N 3.07Å; C578-A580 VanDerWaalsContact C-N 3.26Å; C578-A580 PolarHBondContact O-N 3.48Å
581V97.4Very high97.2Very high5 Ų550.9 Ų50.93%0.0331%0.306CS..Hα-helixtrans-115.7-8.3-171-52.60000114.7I550 I551 I561 V577 C578 S579 N583 E584 F587 V589I550-V581 HydrophobicContact CG2-CG1 4.24Å; I551-V581 HydrophobicContact CG1-CG1 4.04Å; I561-V581 HydrophobicContact CD1-CG1 4.07Å; I561-V581 HydrophobicContact CD1-CG2 4.3Å; V577-V581 WeakPolarHBondContact O-CG2 3.24Å; V577-V581 PolarHBondContact O-N 3.32Å; V577-V581 VanDerWaalsContact O-N 3.11Å; C578-V581 PolarHBondContact O-N 2.7Å; S579-V581 VanDerWaalsContact C-N 3.34Å; V581-N583 PolarHBondContact O-N 2.84Å; V581-N583 VanDerWaalsContact O-N 3.09Å; V581-E584 WeakPolarHBondContact O-CB 3.2Å; V581-E584 PolarHBondContact O-N 3.16Å; V581-F587 HydrophobicContact CB-CD2 3.97Å; V581-F587 HydrophobicContact CG1-CD2 4.5Å; V581-V589 HydrophobicContact CG2-CG2 3.54Å
582V96.8Very high97.2Very high107 Ų10751.2 Ų51.265%0.64831%0.305SS*.THydrogen-bonded Turntrans-58.1-27.9-173.167.50000114.3C578C578-V582 WeakPolarHBondContact O-CB 3.26Å; C578-V582 PolarHBondContact O-N 3.32Å
583N93.8Very high97.2Very high149 Ų14951.3 Ų51.380%0.79731%0.305SS*.THydrogen-bonded Turntrans-90.9-0.2179.8-64.2-37.6000113.4V581V581-N583 PolarHBondContact O-N 2.84Å; V581-N583 VanDerWaalsContact O-N 3.09Å
584E94.6Very high97.2Very high68 Ų6851.2 Ų51.232%0.31831%0.305SS..SBendtrans-95.7131.2179.1-67.2-75.9147.100110.7I551 R555 V581 F587I551-E584 HydrophobicContact CD1-CG 3.97Å; I551-E584 HydrophobicContact CG1-CG 4.34Å; R555-E584 IonicContact CZ-OE2 3.04Å; R555-E584 IonicContact NH2-OE2 2.82Å; R555-E584 PolarHBondContact NH2-OE2 3.39Å; V581-E584 WeakPolarHBondContact O-CB 3.2Å; V581-E584 PolarHBondContact O-N 3.16Å; E584-F587 HydrophobicContact CB-CD2 3.42Å; E584-F587 VanDerWaalsContact CB-CD2 3.42Å; E584-F587 HydrophobicContact CB-CE2 3.33Å; E584-F587 HydrophobicContact CB-CG 4.44Å; E584-F587 HydrophobicContact CB-CZ 4.28Å; E584-F587 HydrophobicContact CG-CD2 4.28Å; E584-F587 HydrophobicContact CG-CE2 3.83Å
585P93.5Very high97.2Very high114 Ų11455.2 Ų55.274%0.7433%0.333SS*.THydrogen-bonded Turntrans-72.9148.6-179.730.1-34.7000112F587P585-F587 VanDerWaalsContact C-N 3.35Å; P585-F587 PolarHBondContact O-N 2.89Å
586G92.9Very high97.1Very high67 Ų6758 Ų5869%0.69135%0.346SS*.THydrogen-bonded Turntrans79.513.2170.100000115G559G559-G586 WeakPolarHBondContact CA-O 3.49Å
587F96.4Very high97.1Very high37 Ų3762.4 Ų62.416%0.16237%0.371CS..  trans-102.5144.7176.5-62.7-18.5000113.3I551 A554 R555 G559 V581 E584 P585I551-F587 HydrophobicContact CB-CE2 4.38Å; I551-F587 HydrophobicContact CG1-CE2 4.16Å; I551-F587 HydrophobicContact CG2-CE2 3.96Å; I551-F587 HydrophobicContact CG2-CZ 3.98Å; A554-F587 HydrophobicContact CB-CD1 4.29Å; A554-F587 HydrophobicContact CB-CE1 4.03Å; A554-F587 HydrophobicContact CB-CE2 4.48Å; A554-F587 HydrophobicContact CB-CZ 4.14Å; R555-F587 HydrophobicContact CG-CE1 3.85Å; R555-F587 HydrophobicContact CG-CZ 3.69Å; G559-F587 CarbonylContact O-C 3.48Å; G559-F587 VanDerWaalsContact O-CA 3.27Å; G559-F587 WeakPolarHBondContact O-CA 3.48Å; V581-F587 HydrophobicContact CB-CD2 3.97Å; V581-F587 HydrophobicContact CG1-CD2 4.5Å; E584-F587 HydrophobicContact CB-CD2 3.42Å; E584-F587 VanDerWaalsContact CB-CD2 3.42Å; E584-F587 HydrophobicContact CB-CE2 3.33Å; E584-F587 HydrophobicContact CB-CG 4.44Å; E584-F587 HydrophobicContact CB-CZ 4.28Å; E584-F587 HydrophobicContact CG-CD2 4.28Å; E584-F587 HydrophobicContact CG-CE2 3.83Å; P585-F587 VanDerWaalsContact C-N 3.35Å; P585-F587 PolarHBondContact O-N 2.89Å
588T96.6Very high97.1Very high87 Ų8762.9 Ų62.953%0.53438%0.375SS..EExtended strand (participates in β ladder)trans-127.1132.5171.753.90000108.4G559 I561G559-T588 PolarHBondContact O-N 3.07Å; G559-T588 PolarHBondContact O-OG1 2.91Å; I561-T588 PolarHBondContact N-O 3.02Å
589V98.1Very high97.1Very high46 Ų4669 Ų6928%0.27939%0.392SS..EExtended strand (participates in β ladder)trans-117.2120.2177.3-1710000109.1I561 T563 V577 V581 R591I561-V589 HydrophobicContact CB-CG2 4.28Å; I561-V589 HydrophobicContact CD1-CG2 4.26Å; I561-V589 HydrophobicContact CG2-CG1 4.42Å; I561-V589 CarbonylContact O-C 3.41Å; I561-V589 WeakPolarHBondContact O-CA 3.34Å; T563-V589 HydrophobicContact CG2-CG1 4.26Å; V577-V589 HydrophobicContact CG1-CG1 4.47Å; V581-V589 HydrophobicContact CG2-CG2 3.54Å; V589-R591 HydrophobicContact CG1-CG 4.26Å
590H98.3Very high97.1Very high75 Ų7568.2 Ų68.235%0.34739%0.386SS..EExtended strand (participates in β ladder)trans-104133.4168.5-167.670.1000109.2I561 I562 T563I561-H590 PolarHBondContact O-N 3.22Å; I562-H590 CarbonylContact C-O 3.44Å; I562-H590 VanDerWaalsContact CA-O 3.31Å; I562-H590 WeakPolarHBondContact CA-O 3.39Å; I562-H590 HydrophobicContact CG1-CB 4.17Å; T563-H590 PolarHBondContact N-O 3.07Å; T563-H590 PolarHBondContact OG1-O 3.31Å
591R98.6Very high97.2Very high77 Ų7767.7 Ų67.729%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-113.8123.7-175.2-59.6-172.3-66168-0.8110.4T563 Y569 E575 V589T563-R591 WeakPolarHBondContact OG1-CG 3.29Å; Y569-R591 HydrophobicContact CD1-CB 4.15Å; Y569-R591 HydrophobicContact CE1-CB 3.77Å; Y569-R591 WeakPolarHBondContact CE1-O 3.34Å; Y569-R591 PolarHBondContact O-NH1 3.43Å; Y569-R591 PolarHBondContact OH-O 2.9Å; Y569-R591 VanDerWaalsContact OH-O 3.05Å; E575-R591 IonicContact OE1-NH1 3.87Å; E575-R591 PolarHBondContact OE1-NH1 2.91Å; V589-R591 HydrophobicContact CG1-CG 4.26Å
592L98.9Very high97.3Very high18 Ų1872.6 Ų72.69%0.09441%0.405CS..EExtended strand (participates in β ladder)trans-108.5117.3168.3-58.1-178.6000107.9I562 T563 V564 E565 I612 I617 A620I562-L592 HydrophobicContact CG2-CD1 4.26Å; I562-L592 HydrophobicContact CG2-CG 4.38Å; T563-L592 PolarHBondContact O-N 3.19Å; V564-L592 VanDerWaalsContact CA-O 3.3Å; V564-L592 WeakPolarHBondContact CA-O 3.45Å; V564-L592 HydrophobicContact CB-CB 4.13Å; V564-L592 HydrophobicContact CG2-CB 3.97Å; V564-L592 HydrophobicContact CG2-CD1 4.4Å; E565-L592 PolarHBondContact N-O 3.38Å; L592-I612 HydrophobicContact CB-CG2 4.31Å; L592-I617 HydrophobicContact CD1-CG1 4.08Å; L592-A620 HydrophobicContact CD1-CB 3.88Å; L592-A620 HydrophobicContact CD2-CB 4.24Å; L592-A620 HydrophobicContact CG-CB 4.38Å
593A98.9Very high97.3Very high2 Ų269 Ų692%0.01738%0.383CS..EExtended strand (participates in β ladder)trans-152167.8-178.600000108.8E565 H567 Y569 S595E565-A593 HydrophobicContact CG-CB 3.8Å; H567-A593 WeakPolarHBondContact O-CB 3.29Å; Y569-A593 HydrophobicContact CD1-CB 3.9Å; Y569-A593 HydrophobicContact CD2-CB 3.78Å; Y569-A593 HydrophobicContact CE1-CB 3.98Å; Y569-A593 HydrophobicContact CE2-CB 3.84Å; Y569-A593 VanDerWaalsContact CE2-O 3.23Å; Y569-A593 WeakPolarHBondContact CE2-O 2.95Å; Y569-A593 HydrophobicContact CG-CB 3.81Å; A593-S595 PolarHBondContact O-N 3.37Å
594V98.8Very high97.5Very high0 Ų067.3 Ų67.30%037%0.37CS..EExtended strand (participates in β ladder)trans-68.2124.6176.2-178.40000108.5V424 L436 H567 Y568 Q596 P598 F610 I612V424-V594 HydrophobicContact CG1-CG1 4.28Å; V424-V594 HydrophobicContact CG1-CG2 3.97Å; L436-V594 HydrophobicContact CD2-CB 4.18Å; L436-V594 HydrophobicContact CD2-CG1 4.38Å; L436-V594 HydrophobicContact CD2-CG2 3.87Å; H567-V594 WeakPolarHBondContact O-CB 3.27Å; H567-V594 PolarHBondContact O-N 3.35Å; Y568-V594 WeakPolarHBondContact CA-O 3.43Å; Y568-V594 HydrophobicContact CD1-CB 4.21Å; Y568-V594 HydrophobicContact CD1-CG1 4.12Å; Y568-V594 WeakPolarHBondContact CD1-O 3.38Å; Y568-V594 HydrophobicContact CE1-CG1 3.97Å; V594-Q596 WeakPolarHBondContact CG1-O 3.33Å; V594-P598 HydrophobicContact CG1-CG 3.81Å; V594-F610 HydrophobicContact CG1-CB 4.39Å; V594-F610 HydrophobicContact CG1-CD1 3.93Å; V594-F610 HydrophobicContact CG1-CG 4.13Å; V594-F610 HydrophobicContact CG2-CB 4.26Å; V594-I612 HydrophobicContact CG2-CD1 3.93Å
595S97.2Very high97.7Very high83 Ų8368.2 Ų68.258%0.5838%0.375SS*.  trans-96.6-13.4-170.556.40000115.2A593A593-S595 PolarHBondContact O-N 3.37Å
596Q98Very high98Very high124 Ų12463 Ų6358%0.57934%0.34SS*.SBendtrans-157.3166.2-174.165.4-17625.700110.6V594 P598 F610V594-Q596 WeakPolarHBondContact CG1-O 3.33Å; Q596-P598 VanDerWaalsContact O-CD 3.22Å; Q596-P598 WeakPolarHBondContact O-CD 3.36Å; Q596-F610 HydrophobicContact CG-CD1 4.43Å; Q596-F610 HydrophobicContact CG-CE1 3.88Å
597V98.7Very high98.3Very high102 Ų10260.3 Ų60.362%0.61831%0.31SS*.  trans-53.8124.3175.41800000110.1P431P431-V597 HydrophobicContact CB-CG1 3.92Å; P431-V597 HydrophobicContact CG-CG1 4.2Å
598P98.5Very high98.4Very high10 Ų1066.8 Ų66.87%0.06533%0.333CS..  trans-75.3-169.2-176.4-27.340.8000115.6V424 P431 M434 L436 V594 Q596 F610V424-P598 HydrophobicContact CG1-CB 3.77Å; V424-P598 HydrophobicContact CG1-CG 3.44Å; V424-P598 VanDerWaalsContact CG1-CG 3.44Å; P431-P598 WeakPolarHBondContact CG-O 3.47Å; M434-P598 HydrophobicContact SD-CB 3.66Å; M434-P598 HydrophobicContact SD-CG 4.07Å; L436-P598 HydrophobicContact CD1-CG 3.49Å; L436-P598 VanDerWaalsContact CD1-CG 3.49Å; V594-P598 HydrophobicContact CG1-CG 3.81Å; Q596-P598 VanDerWaalsContact O-CD 3.22Å; Q596-P598 WeakPolarHBondContact O-CD 3.36Å; P598-F610 HydrophobicContact CB-CD2 4.41Å; P598-F610 HydrophobicContact CB-CE1 4.29Å; P598-F610 HydrophobicContact CB-CE2 3.63Å; P598-F610 HydrophobicContact CB-CZ 3.6Å; P598-F610 HydrophobicContact CG-CE1 4.4Å; P598-F610 HydrophobicContact CG-CE2 4.27Å; P598-F610 HydrophobicContact CG-CZ 4.16Å
599R98.4Very high98.5Very high167 Ų16767.6 Ų67.663%0.6333%0.334SS*.  trans-142.3168.4176.166.2179.8-56.6171.68.2110.6L606 L609R599-L606 HydrophobicContact CG-CD2 4.18Å; R599-L606 WeakPolarHBondContact O-CD1 3.41Å; R599-L606 VanDerWaalsContact O-CD2 3.25Å; R599-L606 WeakPolarHBondContact O-CD2 3.22Å; R599-L609 HydrophobicContact CG-CD2 4.1Å
600S98.8Very high98.5Very high67 Ų6766.1 Ų66.147%0.46932%0.324SS..  trans-67.7144.1170.5-57.70000112.2E428 G430E428-S600 WeakPolarHBondContact O-CB 3.38Å; E428-S600 PolarHBondContact O-OG 3.21Å; G430-S600 WeakPolarHBondContact CA-OG 3.31Å
601G98.4Very high98.5Very high16 Ų1663.8 Ų63.817%0.16532%0.32CS..SBendtrans173174.8176.500000110G427 E428G427-G601 CarbonylContact C-O 3.44Å; G427-G601 WeakPolarHBondContact CA-O 3.39Å; E428-G601 PolarHBondContact N-O 3.22Å
602K98.6Very high98.5Very high109 Ų10960.1 Ų60.147%0.47431%0.306SS..  trans-67.2147175.3-63178.5-175.9166.20109.5H604 E605 L606K602-H604 VanDerWaalsContact C-N 3.32Å; K602-H604 PolarHBondContact O-N 3.19Å; K602-H604 VanDerWaalsContact O-N 3.13Å; K602-E605 HydrophobicContact CB-CB 4.46Å; K602-E605 HydrophobicContact CB-CG 4.04Å; K602-E605 WeakPolarHBondContact CB-OE2 3.43Å; K602-E605 PolarHBondContact N-OE2 3.13Å; K602-E605 WeakPolarHBondContact O-CB 3.31Å; K602-E605 PolarHBondContact O-N 3.21Å; K602-L606 PolarHBondContact O-N 3.29Å; K602-L606 VanDerWaalsContact O-N 3.07Å
603P98.3Very high98.5Very high31 Ų3159.9 Ų59.920%0.20131%0.305CS..Hα-helixtrans-47.9-47.9-177.1-32.936.6000114.7S425 E605 L606 L607S425-P603 WeakPolarHBondContact O-CB 3.47Å; S425-P603 WeakPolarHBondContact O-CG 3.33Å; P603-E605 PolarHBondContact O-N 2.8Å; P603-L606 PolarHBondContact O-N 2.84Å; P603-L607 WeakPolarHBondContact O-CG 3.4Å; P603-L607 PolarHBondContact O-N 3.44Å
604H98Very high98.5Very high113 Ų11364.2 Ų64.252%0.52332%0.321SS..Hα-helixtrans-68.4-32.3-179.867.7-83.7000113.7K602 L606 R608K602-H604 VanDerWaalsContact C-N 3.32Å; K602-H604 PolarHBondContact O-N 3.19Å; K602-H604 VanDerWaalsContact O-N 3.13Å; H604-L606 VanDerWaalsContact C-N 3.31Å; H604-R608 WeakPolarHBondContact O-CB 3.12Å; H604-R608 PolarHBondContact O-N 3.44Å
605E98.6Very high98.5Very high88 Ų8868.1 Ų68.141%0.41134%0.342SS..Hα-helixtrans-67.2-38.7175.4-63.7168.7166.900110K602 P603 L609K602-E605 HydrophobicContact CB-CB 4.46Å; K602-E605 HydrophobicContact CB-CG 4.04Å; K602-E605 WeakPolarHBondContact CB-OE2 3.43Å; K602-E605 PolarHBondContact N-OE2 3.13Å; K602-E605 WeakPolarHBondContact O-CB 3.31Å; K602-E605 PolarHBondContact O-N 3.21Å; P603-E605 PolarHBondContact O-N 2.8Å; E605-L609 VanDerWaalsContact O-CB 3.24Å; E605-L609 WeakPolarHBondContact O-CB 3.49Å; E605-L609 PolarHBondContact O-N 3.41Å
606L98.8Very high98.6Very high3 Ų364.8 Ų64.82%0.01632%0.32CS..Hα-helixtrans-71.6-45178.4-60.3-179000112V424 M434 R599 K602 P603 H604 R608 L609 F610V424-L606 HydrophobicContact CB-CB 3.96Å; V424-L606 HydrophobicContact CB-CD1 4.36Å; V424-L606 HydrophobicContact CG2-CB 3.84Å; V424-L606 VanDerWaalsContact O-CD1 3.3Å; V424-L606 WeakPolarHBondContact O-CD1 3.27Å; M434-L606 HydrophobicContact CE-CD1 3.67Å; R599-L606 HydrophobicContact CG-CD2 4.18Å; R599-L606 WeakPolarHBondContact O-CD1 3.41Å; R599-L606 VanDerWaalsContact O-CD2 3.25Å; R599-L606 WeakPolarHBondContact O-CD2 3.22Å; K602-L606 PolarHBondContact O-N 3.29Å; K602-L606 VanDerWaalsContact O-N 3.07Å; P603-L606 PolarHBondContact O-N 2.84Å; H604-L606 VanDerWaalsContact C-N 3.31Å; L606-R608 PolarHBondContact O-N 2.98Å; L606-L609 HydrophobicContact CD2-CD2 4.43Å; L606-L609 PolarHBondContact O-N 3.45Å; L606-L609 VanDerWaalsContact O-N 3.13Å; L606-F610 HydrophobicContact CB-CD2 4.36Å; L606-F610 HydrophobicContact CB-CE2 4.48Å; L606-F610 HydrophobicContact CD2-CE2 4.17Å; L606-F610 WeakPolarHBondContact O-CD2 3.33Å; L606-F610 PolarHBondContact O-N 2.86Å
607L98.8Very high98.6Very high11 Ų1158.9 Ų58.96%0.05829%0.292CS..Hα-helixtrans-54.9-41.7174.7-68.3174.9000111.4V424 V515 E519 P603 G611 I612 D613V424-L607 HydrophobicContact CG2-CD2 3.99Å; V515-L607 HydrophobicContact CG2-CD2 4.27Å; E519-L607 HydrophobicContact CG-CD1 4.29Å; P603-L607 WeakPolarHBondContact O-CG 3.4Å; P603-L607 PolarHBondContact O-N 3.44Å; L607-G611 PolarHBondContact O-N 2.9Å; L607-I612 HydrophobicContact CB-CG1 4.39Å; L607-I612 HydrophobicContact CD2-CD1 3.58Å; L607-I612 HydrophobicContact CD2-CG1 3.79Å; L607-I612 WeakPolarHBondContact O-CG1 3.4Å; L607-I612 PolarHBondContact O-N 3.21Å; L607-D613 HydrophobicContact CB-CB 3.95Å; L607-D613 PolarHBondContact O-N 2.9Å
608R98.7Very high98.6Very high173 Ų17354.1 Ų54.165%0.65326%0.263SS*.Hα-helixtrans-67.5-47.3175-174.5173.9178.4-175.82112.5H604 L606 F610 G611 D613H604-R608 WeakPolarHBondContact O-CB 3.12Å; H604-R608 PolarHBondContact O-N 3.44Å; L606-R608 PolarHBondContact O-N 2.98Å; R608-F610 VanDerWaalsContact C-N 3.26Å; R608-F610 PolarHBondContact O-N 3.4Å; R608-G611 PolarHBondContact O-N 3.11Å; R608-G611 VanDerWaalsContact O-N 3.13Å; R608-D613 WeakPolarHBondContact CA-OD2 3.25Å; R608-D613 HydrophobicContact CB-CB 4.48Å; R608-D613 VanDerWaalsContact CB-OD2 3.24Å; R608-D613 WeakPolarHBondContact CB-OD2 3.33Å; R608-D613 WeakPolarHBondContact CG-OD2 3.41Å
609L98.7Very high98.6Very high105 Ų10560.1 Ų60.155%0.5529%0.291SS..Hα-helixtrans-59-38.6-179.3179.562.4000112R599 E605 L606R599-L609 HydrophobicContact CG-CD2 4.1Å; E605-L609 VanDerWaalsContact O-CB 3.24Å; E605-L609 WeakPolarHBondContact O-CB 3.49Å; E605-L609 PolarHBondContact O-N 3.41Å; L606-L609 HydrophobicContact CD2-CD2 4.43Å; L606-L609 PolarHBondContact O-N 3.45Å; L606-L609 VanDerWaalsContact O-N 3.13Å
610F98.7Very high98.6Very high14 Ų1452.5 Ų52.56%0.06126%0.263CS..THydrogen-bonded Turntrans-948.9179.9-64.3-70.9000113.7V424 V594 Q596 P598 L606 R608 I612V424-F610 HydrophobicContact CB-CD2 4.31Å; V424-F610 HydrophobicContact CG1-CD2 3.91Å; V424-F610 HydrophobicContact CG1-CE2 4.32Å; V424-F610 HydrophobicContact CG1-CG 4.5Å; V424-F610 HydrophobicContact CG2-CD2 4.23Å; V594-F610 HydrophobicContact CG1-CB 4.39Å; V594-F610 HydrophobicContact CG1-CD1 3.93Å; V594-F610 HydrophobicContact CG1-CG 4.13Å; V594-F610 HydrophobicContact CG2-CB 4.26Å; Q596-F610 HydrophobicContact CG-CD1 4.43Å; Q596-F610 HydrophobicContact CG-CE1 3.88Å; P598-F610 HydrophobicContact CB-CD2 4.41Å; P598-F610 HydrophobicContact CB-CE1 4.29Å; P598-F610 HydrophobicContact CB-CE2 3.63Å; P598-F610 HydrophobicContact CB-CZ 3.6Å; P598-F610 HydrophobicContact CG-CE1 4.4Å; P598-F610 HydrophobicContact CG-CE2 4.27Å; P598-F610 HydrophobicContact CG-CZ 4.16Å; L606-F610 HydrophobicContact CB-CD2 4.36Å; L606-F610 HydrophobicContact CB-CE2 4.48Å; L606-F610 HydrophobicContact CD2-CE2 4.17Å; L606-F610 WeakPolarHBondContact O-CD2 3.33Å; L606-F610 PolarHBondContact O-N 2.86Å; R608-F610 VanDerWaalsContact C-N 3.26Å; R608-F610 PolarHBondContact O-N 3.4Å; F610-I612 PolarHBondContact O-N 3.28Å
611G98.6Very high98.6Very high26 Ų2649.3 Ų49.327%0.26824%0.241SC..THydrogen-bonded Turntrans68.933.7168.400000114.9L607 R608 A616L607-G611 PolarHBondContact O-N 2.9Å; R608-G611 PolarHBondContact O-N 3.11Å; R608-G611 VanDerWaalsContact O-N 3.13Å; G611-A616 WeakPolarHBondContact O-CB 3.29Å
612I98.9Very high98.6Very high0 Ų052.9 Ų52.90%025%0.249CC..  trans-126.113.1-179.257.7168.4000113.1V424 V564 D566 L592 V594 L607 F610V424-I612 HydrophobicContact CG2-CD1 4.19Å; V564-I612 HydrophobicContact CG2-CB 3.95Å; V564-I612 HydrophobicContact CG2-CG2 4.22Å; D566-I612 HydrophobicContact CB-CD1 3.86Å; L592-I612 HydrophobicContact CB-CG2 4.31Å; V594-I612 HydrophobicContact CG2-CD1 3.93Å; L607-I612 HydrophobicContact CB-CG1 4.39Å; L607-I612 HydrophobicContact CD2-CD1 3.58Å; L607-I612 HydrophobicContact CD2-CG1 3.79Å; L607-I612 WeakPolarHBondContact O-CG1 3.4Å; L607-I612 PolarHBondContact O-N 3.21Å; F610-I612 PolarHBondContact O-N 3.28Å
613D98.8Very high98.4Very high13 Ų1354.2 Ų54.27%0.0726%0.255CS..SBendtrans-86.6176.7173.876.6-15.5000112.9L607 R608 D615 A616 I617L607-D613 HydrophobicContact CB-CB 3.95Å; L607-D613 PolarHBondContact O-N 2.9Å; R608-D613 WeakPolarHBondContact CA-OD2 3.25Å; R608-D613 HydrophobicContact CB-CB 4.48Å; R608-D613 VanDerWaalsContact CB-OD2 3.24Å; R608-D613 WeakPolarHBondContact CB-OD2 3.33Å; R608-D613 WeakPolarHBondContact CG-OD2 3.41Å; D613-D615 PolarHBondContact O-N 3.29Å; D613-D615 PolarHBondContact OD1-N 2.8Å; D613-A616 PolarHBondContact O-N 3.1Å; D613-A616 WeakPolarHBondContact OD1-CB 3.5Å; D613-A616 PolarHBondContact OD1-N 3.05Å; D613-I617 WeakPolarHBondContact O-CD1 3.37Å; D613-I617 VanDerWaalsContact O-CG1 3.26Å; D613-I617 WeakPolarHBondContact O-CG1 3.15Å; D613-I617 PolarHBondContact O-N 3.12Å
614R98.7Very high98.2Very high93 Ų9353.7 Ų53.735%0.35125%0.253SS..Hα-helixtrans-52.8-36.4177.968.5-164.973.3177.94.5113.8E519 T522 A523 A618E519-R614 HydrophobicContact CB-CB 4.49Å; E519-R614 WeakPolarHBondContact O-CB 3.05Å; E519-R614 IonicContact OE1-CZ 2.74Å; E519-R614 IonicContact OE1-NE 3.11Å; E519-R614 IonicContact OE1-NH2 3.95Å; E519-R614 PolarHBondContact OE1-NH2 3.2Å; E519-R614 VanDerWaalsContact OE2-CB 3.26Å; E519-R614 WeakPolarHBondContact OE2-CB 3.5Å; E519-R614 IonicContact OE2-CZ 2.91Å; E519-R614 PolarHBondContact OE2-N 2.94Å; E519-R614 IonicContact OE2-NE 3.14Å; E519-R614 PolarHBondContact OE2-NE 2.79Å; E519-R614 IonicContact OE2-NH2 3.4Å; E519-R614 PolarHBondContact OE2-NH2 3.15Å; T522-R614 HydrophobicContact CG2-CB 4.36Å; A523-R614 HydrophobicContact CB-CB 4.26Å; A523-R614 WeakPolarHBondContact CB-O 3.15Å; R614-A618 WeakPolarHBondContact O-CB 3.46Å; R614-A618 PolarHBondContact O-N 2.98Å
615D98.6Very high98Very high82 Ų8250 Ų5044%0.43924%0.237SC..Hα-helixtrans-75.2-42.2-175.4-72.4-21.7000110.1D613 A618 Q619D613-D615 PolarHBondContact O-N 3.29Å; D613-D615 PolarHBondContact OD1-N 2.8Å; D615-A618 PolarHBondContact O-N 3.31Å; D615-Q619 WeakPolarHBondContact O-CB 3.28Å; D615-Q619 PolarHBondContact O-N 2.65Å
616A98.8Very high97.4Very high14 Ų1449.2 Ų49.212%0.11624%0.241CC..Hα-helixtrans-62.1-42.4172.500000112G611 D613 Q619 A620G611-A616 WeakPolarHBondContact O-CB 3.29Å; D613-A616 PolarHBondContact O-N 3.1Å; D613-A616 WeakPolarHBondContact OD1-CB 3.5Å; D613-A616 PolarHBondContact OD1-N 3.05Å; A616-Q619 PolarHBondContact O-N 2.9Å; A616-A620 WeakPolarHBondContact O-CB 3.39Å; A616-A620 PolarHBondContact O-N 3.22Å
617I98.8Very high95.8Very high0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-60.5-49.6174.6-64.9162000110.3V510 E519 A520 A523 V564 L592 D613 Q619 A620 V621V510-I617 HydrophobicContact CG1-CG2 4.17Å; V510-I617 HydrophobicContact CG2-CG2 4.47Å; E519-I617 HydrophobicContact CB-CD1 3.96Å; A520-I617 HydrophobicContact CB-CD1 4.16Å; A523-I617 HydrophobicContact CB-CB 3.97Å; A523-I617 HydrophobicContact CB-CG2 3.71Å; V564-I617 HydrophobicContact CB-CD1 4.34Å; V564-I617 HydrophobicContact CB-CG1 4.18Å; V564-I617 HydrophobicContact CG1-CD1 3.86Å; V564-I617 HydrophobicContact CG1-CG1 4.12Å; V564-I617 HydrophobicContact CG2-CD1 3.98Å; V564-I617 HydrophobicContact CG2-CG1 3.91Å; L592-I617 HydrophobicContact CD1-CG1 4.08Å; D613-I617 WeakPolarHBondContact O-CD1 3.37Å; D613-I617 VanDerWaalsContact O-CG1 3.26Å; D613-I617 WeakPolarHBondContact O-CG1 3.15Å; D613-I617 PolarHBondContact O-N 3.12Å; I617-Q619 VanDerWaalsContact C-N 3.32Å; I617-Q619 PolarHBondContact O-N 2.79Å; I617-A620 PolarHBondContact O-N 2.87Å; I617-V621 WeakPolarHBondContact O-CG2 3.33Å; I617-V621 PolarHBondContact O-N 3.26Å
618A98.6Very high93.8Very high1 Ų154 Ų541%0.00828%0.276CS..Hα-helixtrans-61.5-40178.700000112L527 R614 D615 V621 R622L527-A618 HydrophobicContact CD1-CB 4.37Å; L527-A618 HydrophobicContact CD2-CB 4.06Å; L527-A618 HydrophobicContact CG-CB 4.07Å; R614-A618 WeakPolarHBondContact O-CB 3.46Å; R614-A618 PolarHBondContact O-N 2.98Å; D615-A618 PolarHBondContact O-N 3.31Å; A618-V621 PolarHBondContact O-N 2.89Å; A618-R622 WeakPolarHBondContact O-CG 3.48Å; A618-R622 PolarHBondContact O-N 3.46Å; A618-R622 PolarHBondContact O-NH1 3.22Å
619Q98.5Very high91.4Very high137 Ų13749.1 Ų49.164%0.6427%0.273SS*.Hα-helixtrans-63.5-44.2175.2-172.6178.414.600112D615 A616 I617 V621 R622 K623D615-Q619 WeakPolarHBondContact O-CB 3.28Å; D615-Q619 PolarHBondContact O-N 2.65Å; A616-Q619 PolarHBondContact O-N 2.9Å; I617-Q619 VanDerWaalsContact C-N 3.32Å; I617-Q619 PolarHBondContact O-N 2.79Å; Q619-V621 VanDerWaalsContact C-N 3.34Å; Q619-V621 PolarHBondContact O-N 3.32Å; Q619-R622 PolarHBondContact O-N 3.32Å; Q619-K623 WeakPolarHBondContact O-CB 3.39Å; Q619-K623 PolarHBondContact O-N 3.41Å
620A98.4Very high88.6Confident7 Ų751.5 Ų51.56%0.05829%0.286CS..Hα-helixtrans-62.9-40.4177.100000112I562 L592 A616 I617 K623 A624I562-A620 HydrophobicContact CD1-CB 3.94Å; L592-A620 HydrophobicContact CD1-CB 3.88Å; L592-A620 HydrophobicContact CD2-CB 4.24Å; L592-A620 HydrophobicContact CG-CB 4.38Å; A616-A620 WeakPolarHBondContact O-CB 3.39Å; A616-A620 PolarHBondContact O-N 3.22Å; I617-A620 PolarHBondContact O-N 2.87Å; A620-K623 PolarHBondContact O-N 2.95Å; A620-A624 WeakPolarHBondContact O-CB 3.18Å; A620-A624 PolarHBondContact O-N 3.15Å
621V98.4Very high86Confident0 Ų055 Ų550%032%0.317CS..Hα-helixtrans-59.2-52.7173.3171.60000110.4V508 V510 L527 I532 I534 I562 I617 A618 Q619 K623 A624 L625V508-V621 HydrophobicContact CG2-CG1 4.1Å; V510-V621 HydrophobicContact CG2-CG2 4.25Å; L527-V621 HydrophobicContact CD1-CB 3.91Å; L527-V621 HydrophobicContact CD1-CG1 3.86Å; L527-V621 HydrophobicContact CD1-CG2 3.89Å; L527-V621 HydrophobicContact CD2-CB 4.42Å; L527-V621 HydrophobicContact CD2-CG1 4.22Å; I532-V621 HydrophobicContact CG2-CG1 3.73Å; I534-V621 HydrophobicContact CG2-CG1 3.8Å; I534-V621 HydrophobicContact CG2-CG2 3.89Å; I562-V621 HydrophobicContact CD1-CB 4.27Å; I562-V621 HydrophobicContact CD1-CG2 3.6Å; I617-V621 WeakPolarHBondContact O-CG2 3.33Å; I617-V621 PolarHBondContact O-N 3.26Å; A618-V621 PolarHBondContact O-N 2.89Å; Q619-V621 VanDerWaalsContact C-N 3.34Å; Q619-V621 PolarHBondContact O-N 3.32Å; V621-K623 VanDerWaalsContact C-N 3.28Å; V621-K623 PolarHBondContact O-N 3.08Å; V621-A624 PolarHBondContact O-N 3.48Å; V621-A624 VanDerWaalsContact O-N 3.14Å; V621-L625 HydrophobicContact CG1-CD1 4.34Å; V621-L625 WeakPolarHBondContact O-CG 3.45Å; V621-L625 PolarHBondContact O-N 3.44Å; V621-L625 VanDerWaalsContact O-N 3.1Å
622R97.6Very high82.9Confident91 Ų9165.8 Ų65.834%0.34336%0.357SS..Hα-helixtrans-56.3-43.7178.9-68.9-179.1-160.9103.7-6.2111.7L527 E530 I532 A618 Q619 L625 S626L527-R622 HydrophobicContact CD2-CG 4.3Å; E530-R622 IonicContact OE1-CZ 3.69Å; E530-R622 IonicContact OE1-NE 3.33Å; E530-R622 IonicContact OE1-NH2 3.75Å; E530-R622 PolarHBondContact OE1-NH2 3.16Å; E530-R622 IonicContact OE2-CZ 3.5Å; E530-R622 IonicContact OE2-NE 3.52Å; E530-R622 PolarHBondContact OE2-NE 3.05Å; E530-R622 IonicContact OE2-NH2 2.85Å; E530-R622 PolarHBondContact OE2-NH2 3.42Å; I532-R622 HydrophobicContact CD1-CG 4.28Å; A618-R622 WeakPolarHBondContact O-CG 3.48Å; A618-R622 PolarHBondContact O-N 3.46Å; A618-R622 PolarHBondContact O-NH1 3.22Å; Q619-R622 PolarHBondContact O-N 3.32Å; R622-L625 PolarHBondContact O-N 2.97Å; R622-S626 PolarHBondContact O-N 3.22Å; R622-S626 PolarHBondContact O-OG 3.31Å
623K96.1Very high82.1Confident137 Ų13769.1 Ų69.160%0.59638%0.375SS*.Hα-helixtrans-61.5-44.4177.4-173.6177.6179.4179.60112.2Q619 A620 V621 L625 S626 S627Q619-K623 WeakPolarHBondContact O-CB 3.39Å; Q619-K623 PolarHBondContact O-N 3.41Å; A620-K623 PolarHBondContact O-N 2.95Å; V621-K623 VanDerWaalsContact C-N 3.28Å; V621-K623 PolarHBondContact O-N 3.08Å; K623-L625 VanDerWaalsContact C-N 3.27Å; K623-L625 PolarHBondContact O-N 3.45Å; K623-S626 WeakPolarHBondContact CA-OG 3.27Å; K623-S626 PolarHBondContact O-N 2.79Å; K623-S626 PolarHBondContact O-OG 3.5Å; K623-S627 PolarHBondContact O-N 3.2Å; K623-S627 PolarHBondContact O-OG 2.84Å
624A94.1Very high81.2Confident19 Ų1972.1 Ų72.116%0.15739%0.391CS..Hα-helixtrans-61.9-34.9178.200000112.3A620 V621 S627A620-A624 WeakPolarHBondContact O-CB 3.18Å; A620-A624 PolarHBondContact O-N 3.15Å; V621-A624 PolarHBondContact O-N 3.48Å; V621-A624 VanDerWaalsContact O-N 3.14Å; A624-S627 PolarHBondContact O-OG 3.47Å
625L92.8Very high80.3Confident37 Ų3770.9 Ų70.919%0.19439%0.393CS..Hα-helixtrans-72.7-40.9175.8-59.2-177.4000112.4H507 V508 I532 V621 R622 K623 S628H507-L625 HydrophobicContact CB-CD1 4.45Å; H507-L625 HydrophobicContact CB-CD2 3.73Å; V508-L625 HydrophobicContact CG2-CD2 3.96Å; I532-L625 HydrophobicContact CB-CD1 4.5Å; I532-L625 HydrophobicContact CD1-CD1 4.01Å; I532-L625 HydrophobicContact CG1-CD1 4.02Å; I532-L625 HydrophobicContact CG2-CD1 3.68Å; V621-L625 HydrophobicContact CG1-CD1 4.34Å; V621-L625 WeakPolarHBondContact O-CG 3.45Å; V621-L625 PolarHBondContact O-N 3.44Å; V621-L625 VanDerWaalsContact O-N 3.1Å; R622-L625 PolarHBondContact O-N 2.97Å; K623-L625 VanDerWaalsContact C-N 3.27Å; K623-L625 PolarHBondContact O-N 3.45Å; L625-S628 PolarHBondContact O-N 2.66Å
626S85.8Confident79.2Confident70 Ų7070.2 Ų70.249%0.4939%0.39SS..Hα-helixtrans-68.7-36.8179.759.70000113R622 K623 S628 A629R622-S626 PolarHBondContact O-N 3.22Å; R622-S626 PolarHBondContact O-OG 3.31Å; K623-S626 WeakPolarHBondContact CA-OG 3.27Å; K623-S626 PolarHBondContact O-N 2.79Å; K623-S626 PolarHBondContact O-OG 3.5Å; S626-S628 PolarHBondContact O-N 3.37Å; S626-A629 PolarHBondContact O-N 3.16Å; S626-A629 VanDerWaalsContact O-N 3.08Å
627S65.5Low78Confident72 Ų7273.8 Ų73.850%0.50341%0.408SS..Hα-helixtrans-63.3-26.6178.641.40000113.5K623 A624K623-S627 PolarHBondContact O-N 3.2Å; K623-S627 PolarHBondContact O-OG 2.84Å; A624-S627 PolarHBondContact O-OG 3.47Å
628S56.3Low76.6Confident44 Ų4478.7 Ų78.731%0.30844%0.435SS..Hα-helixtrans-81.6-18.1175-58.20000114R560 L625 S626R560-S628 PolarHBondContact NE-OG 2.86Å; R560-S628 PolarHBondContact NH2-OG 3.44Å; L625-S628 PolarHBondContact O-N 2.66Å; S626-S628 PolarHBondContact O-N 3.37Å
629A48.9Very low75Confident70 Ų7084.2 Ų84.258%0.57947%0.465SS*.Hα-helixtrans-75.9-27.5177.300000112.1S626S626-A629 PolarHBondContact O-N 3.16Å; S626-A629 VanDerWaalsContact O-N 3.08Å
630N39.4Very low73.2Confident154 Ų15480.2 Ų80.282%0.82445%0.452SS*.THydrogen-bonded Turntrans-90.3-1.4178.2-71-9.5000114
631A44.1Very low71.1Confident87 Ų8786.3 Ų86.372%0.71949%0.485SS*.THydrogen-bonded Turntrans-108.212.2-178.700000113.2
632K34.3Very low68.6Low254 Ų25494.1 Ų94.1100%1.10453%0.529SS*.  trans-106.60174.2-85.7-167.3174.8-172.40111.5

Retrieved 632 of 632 residues in 1454.1 ms (Link to these results)

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