A0A3Q0KTC8_SCHMA Loading...

ER membrane protein complex subunit 2

Part of the endoplasmic reticulum membrane protein complex (EMC) that enables the energy-independent insertion into endoplasmic reticulum membranes of newly synthesized membrane proteins.

AlphaFold DB , UniProt , Accession A0A3Q0KTC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 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
1M56.5Low71.3Confident202 Ų202122 Ų122100%0.99563%0.626SS**  0-53.30-94167.570.400112.3L3 R4M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.07Å; M1-R4 PolarHBondContact O-N 2.85Å
2Q60.7Low72.4Confident164 Ų164120 Ų12077%0.76662%0.615SS**Hα-helixtrans-51.6-35.1-174.2-70.3179.9-2400116.5I6Q2-I6 WeakPolarHBondContact O-CG1 3.49Å; Q2-I6 PolarHBondContact O-N 2.84Å
3L58.6Low73.3Confident154 Ų154123.6 Ų123.681%0.80662%0.617SS**Hα-helixtrans-69.1-31.4178.1-77.5163.6000114.2M1 S7M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-L3 VanDerWaalsContact O-N 3.07Å; L3-S7 PolarHBondContact O-N 2.87Å
4R68.8Low74.2Confident202 Ų202128 Ų12876%0.76262%0.622SS**Hα-helixtrans-71.5-38.5177.5-79.3-170.2-161-160.64.4111.5M1 I6 S7 I8M1-R4 PolarHBondContact O-N 2.85Å; R4-I6 VanDerWaalsContact C-N 3.33Å; R4-I6 PolarHBondContact O-N 2.94Å; R4-S7 PolarHBondContact O-N 3.44Å; R4-I8 WeakPolarHBondContact O-CG1 3.28Å; R4-I8 PolarHBondContact O-N 3.17Å
5D70.7Confident75.2Confident91 Ų91126.1 Ų126.149%0.48762%0.615SS.*Hα-helixtrans-65.9-36.9-179.2-62.9-31.3000111.8I8 C9D5-I8 PolarHBondContact O-N 2.8Å; D5-C9 WeakPolarHBondContact O-CB 3.43Å; D5-C9 PolarHBondContact O-N 3.4Å; D5-C9 PolarHBondContact O-SG 2.97Å; D5-C9 VanDerWaalsContact O-SG 3.33Å
6I71.9Confident76Confident115 Ų115123.4 Ų123.459%0.5961%0.608SS**Hα-helixtrans-65.4-42.9174.5-64.8166.3000110.9Q2 R4 I8 C9 S10Q2-I6 WeakPolarHBondContact O-CG1 3.49Å; Q2-I6 PolarHBondContact O-N 2.84Å; R4-I6 VanDerWaalsContact C-N 3.33Å; R4-I6 PolarHBondContact O-N 2.94Å; I6-I8 PolarHBondContact O-N 2.71Å; I6-C9 PolarHBondContact O-N 3.24Å; I6-S10 PolarHBondContact O-N 2.68Å
7S76.7Confident76.7Confident72 Ų72124.8 Ų124.850%0.50361%0.606SS.*Hα-helixtrans-63-41.8178.2-1700000111.9L3 R4 S10 E11L3-S7 PolarHBondContact O-N 2.87Å; R4-S7 PolarHBondContact O-N 3.44Å; S7-S10 WeakPolarHBondContact O-CB 3.02Å; S7-S10 PolarHBondContact O-N 3.48Å; S7-E11 PolarHBondContact O-N 3.44Å; S7-E11 VanDerWaalsContact O-N 3.09Å
8I78.9Confident77.5Confident98 Ų98119.7 Ų119.750%0.50359%0.591SS.*Hα-helixtrans-66.7-41.4177.8-67.5165.6000110.6R4 D5 I6 S10 E11 I12R4-I8 WeakPolarHBondContact O-CG1 3.28Å; R4-I8 PolarHBondContact O-N 3.17Å; D5-I8 PolarHBondContact O-N 2.8Å; I6-I8 PolarHBondContact O-N 2.71Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.5Å; I8-E11 PolarHBondContact O-N 2.62Å; I8-I12 HydrophobicContact CG2-CD1 3.83Å; I8-I12 HydrophobicContact CG2-CG1 4.45Å; I8-I12 WeakPolarHBondContact O-CG1 3.12Å; I8-I12 PolarHBondContact O-N 3.04Å
9C77.3Confident78.3Confident85 Ų85120.8 Ų120.857%0.57459%0.593SS**Hα-helixtrans-61.7-39.4174.8-75.60000112.6D5 I6 R13D5-C9 WeakPolarHBondContact O-CB 3.43Å; D5-C9 PolarHBondContact O-N 3.4Å; D5-C9 PolarHBondContact O-SG 2.97Å; D5-C9 VanDerWaalsContact O-SG 3.33Å; I6-C9 PolarHBondContact O-N 3.24Å; C9-R13 VanDerWaalsContact O-CB 3.25Å; C9-R13 WeakPolarHBondContact O-CB 3.21Å; C9-R13 PolarHBondContact O-N 3.08Å
10S81.4Confident79Confident66 Ų66120.2 Ų120.246%0.46259%0.59SS.*Hα-helixtrans-59.4-47.7174.3163.30000111.6I6 S7 I8 R13 R14I6-S10 PolarHBondContact O-N 2.68Å; S7-S10 WeakPolarHBondContact O-CB 3.02Å; S7-S10 PolarHBondContact O-N 3.48Å; I8-S10 VanDerWaalsContact C-N 3.33Å; I8-S10 PolarHBondContact O-N 3.5Å; S10-R13 PolarHBondContact O-N 2.99Å; S10-R14 PolarHBondContact O-N 3Å
11E83Confident79.6Confident93 Ų93118.8 Ų118.844%0.43559%0.588SS.*Hα-helixtrans-66.9-44.1-177.2-14062.9-149.900112S7 I8 R13 R14 I15S7-E11 PolarHBondContact O-N 3.44Å; S7-E11 VanDerWaalsContact O-N 3.09Å; I8-E11 PolarHBondContact O-N 2.62Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.32Å; E11-R14 WeakPolarHBondContact O-CB 3.38Å; E11-R14 PolarHBondContact O-N 3.31Å; E11-I15 WeakPolarHBondContact O-CG1 3.49Å; E11-I15 PolarHBondContact O-N 3.06Å
12I84.7Confident81.3Confident98 Ų98113.5 Ų113.550%0.50357%0.567SS.*Hα-helixtrans-60-45.3175.6-67.6169.2000110.4I8 R14 I15 V16I8-I12 HydrophobicContact CG2-CD1 3.83Å; I8-I12 HydrophobicContact CG2-CG1 4.45Å; I8-I12 WeakPolarHBondContact O-CG1 3.12Å; I8-I12 PolarHBondContact O-N 3.04Å; I12-R14 VanDerWaalsContact C-N 3.28Å; I12-R14 PolarHBondContact O-N 2.98Å; I12-I15 PolarHBondContact O-N 3.31Å; I12-V16 HydrophobicContact CG2-CG2 4.34Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.97Å
13R84.3Confident82.9Confident167 Ų167110.1 Ų110.163%0.6355%0.553SS**Hα-helixtrans-59.4-40.9177.8-179.6179.9-90.1-165.2-0.2111.1C9 S10 E11 V16 Y17C9-R13 VanDerWaalsContact O-CB 3.25Å; C9-R13 WeakPolarHBondContact O-CB 3.21Å; C9-R13 PolarHBondContact O-N 3.08Å; S10-R13 PolarHBondContact O-N 2.99Å; E11-R13 VanDerWaalsContact C-N 3.33Å; E11-R13 PolarHBondContact O-N 3.32Å; R13-V16 PolarHBondContact O-N 3.48Å; R13-Y17 HydrophobicContact CG-CD2 3.56Å; R13-Y17 HydrophobicContact CG-CE2 3.26Å; R13-Y17 WeakPolarHBondContact O-CD2 3.39Å; R13-Y17 PolarHBondContact O-N 3.29Å
14R86.1Confident84.4Confident185 Ų185108.3 Ų108.370%0.69854%0.544SS*.Hα-helixtrans-66.1-40.3178.1-162.2176.6173-179.2-1.8112.4S10 E11 I12 G18S10-R14 PolarHBondContact O-N 3Å; E11-R14 WeakPolarHBondContact O-CB 3.38Å; E11-R14 PolarHBondContact O-N 3.31Å; I12-R14 VanDerWaalsContact C-N 3.28Å; I12-R14 PolarHBondContact O-N 2.98Å; R14-G18 PolarHBondContact O-N 2.89Å
15I88.1Confident85.4Confident100 Ų100101.1 Ų101.151%0.51353%0.528SS..Hα-helixtrans-65-46.7175.3-66.5167.7000110.9E11 I12 Y17 G18 F19E11-I15 WeakPolarHBondContact O-CG1 3.49Å; E11-I15 PolarHBondContact O-N 3.06Å; I12-I15 PolarHBondContact O-N 3.31Å; I15-Y17 PolarHBondContact O-N 3.34Å; I15-G18 PolarHBondContact O-N 3.25Å; I15-F19 HydrophobicContact CG2-CD2 3.95Å; I15-F19 HydrophobicContact CG2-CE2 4.16Å; I15-F19 PolarHBondContact O-N 3.23Å
16V88Confident86.4Confident82 Ų82100.5 Ų100.550%0.49753%0.527SS..Hα-helixtrans-63.1-43.8179.5172.90000111.4I12 R13 G18 F19 M20I12-V16 HydrophobicContact CG2-CG2 4.34Å; I12-V16 WeakPolarHBondContact O-CG2 3.48Å; I12-V16 PolarHBondContact O-N 2.97Å; R13-V16 PolarHBondContact O-N 3.48Å; V16-G18 VanDerWaalsContact C-N 3.33Å; V16-G18 PolarHBondContact O-N 3.02Å; V16-F19 PolarHBondContact O-N 3.11Å; V16-M20 WeakPolarHBondContact O-CB 3.45Å; V16-M20 WeakPolarHBondContact O-CG 3.42Å; V16-M20 PolarHBondContact O-N 2.97Å
17Y89Confident87.1Confident148 Ų14898.5 Ų98.558%0.5852%0.52SS*.Hα-helixtrans-64.4-38.1174.8-77-56.6000112.2R13 I15 M20 T21R13-Y17 HydrophobicContact CG-CD2 3.56Å; R13-Y17 HydrophobicContact CG-CE2 3.26Å; R13-Y17 WeakPolarHBondContact O-CD2 3.39Å; R13-Y17 PolarHBondContact O-N 3.29Å; I15-Y17 PolarHBondContact O-N 3.34Å; Y17-M20 PolarHBondContact O-N 3.02Å; Y17-T21 WeakPolarHBondContact O-CG2 3.49Å; Y17-T21 PolarHBondContact O-N 3.4Å; Y17-T21 PolarHBondContact O-OG1 3.18Å; Y17-T21 VanDerWaalsContact O-OG1 3.12Å
18G91Very high87.4Confident33 Ų3398 Ų9834%0.3452%0.515SS..Hα-helixtrans-61.3-42.817400000113R14 I15 V16 T21 V22R14-G18 PolarHBondContact O-N 2.89Å; I15-G18 PolarHBondContact O-N 3.25Å; V16-G18 VanDerWaalsContact C-N 3.33Å; V16-G18 PolarHBondContact O-N 3.02Å; G18-T21 PolarHBondContact O-OG1 3.04Å; G18-V22 VanDerWaalsContact O-CG2 3.3Å; G18-V22 WeakPolarHBondContact O-CG2 3.48Å; G18-V22 PolarHBondContact O-N 3.4Å
19F92.5Very high87.5Confident140 Ų14097.8 Ų97.861%0.61452%0.515SS*.Hα-helixtrans-66.3-42.4174.1-93.9-81.6000112.1I15 V16 T21 V22 I23I15-F19 HydrophobicContact CG2-CD2 3.95Å; I15-F19 HydrophobicContact CG2-CE2 4.16Å; I15-F19 PolarHBondContact O-N 3.23Å; V16-F19 PolarHBondContact O-N 3.11Å; F19-T21 PolarHBondContact O-N 3.39Å; F19-V22 PolarHBondContact O-N 3.1Å; F19-I23 WeakPolarHBondContact O-CB 3.31Å; F19-I23 VanDerWaalsContact O-CG1 3.26Å; F19-I23 WeakPolarHBondContact O-CG1 3.47Å; F19-I23 PolarHBondContact O-N 3.43Å
20M91.4Very high87.7Confident109 Ų10998.6 Ų98.654%0.53751%0.513SS..Hα-helixtrans-62.9-40177.8-80.3-70.8-97.700112.4V16 Y17 I23 L24V16-M20 WeakPolarHBondContact O-CB 3.45Å; V16-M20 WeakPolarHBondContact O-CG 3.42Å; V16-M20 PolarHBondContact O-N 2.97Å; Y17-M20 PolarHBondContact O-N 3.02Å; M20-I23 PolarHBondContact O-N 3.01Å; M20-L24 WeakPolarHBondContact O-CB 3.33Å; M20-L24 PolarHBondContact O-N 2.99Å
21T91.5Very high87.3Confident91 Ų91100.2 Ų100.256%0.55852%0.516SS*.Hα-helixtrans-67.4-39.6177.450.90000112.1Y17 G18 F19 L24 A25Y17-T21 WeakPolarHBondContact O-CG2 3.49Å; Y17-T21 PolarHBondContact O-N 3.4Å; Y17-T21 PolarHBondContact O-OG1 3.18Å; Y17-T21 VanDerWaalsContact O-OG1 3.12Å; G18-T21 PolarHBondContact O-OG1 3.04Å; F19-T21 PolarHBondContact O-N 3.39Å; T21-L24 PolarHBondContact O-N 3.47Å; T21-A25 WeakPolarHBondContact O-CB 3.1Å; T21-A25 PolarHBondContact O-N 3.46Å
22V93.5Very high86.7Confident91 Ų91101.7 Ų101.755%0.55252%0.521SS*.Hα-helixtrans-64.5-44.4174.8174.30000111.1G18 F19 L24 A25 V26G18-V22 VanDerWaalsContact O-CG2 3.3Å; G18-V22 WeakPolarHBondContact O-CG2 3.48Å; G18-V22 PolarHBondContact O-N 3.4Å; F19-V22 PolarHBondContact O-N 3.1Å; V22-L24 PolarHBondContact O-N 2.93Å; V22-A25 PolarHBondContact O-N 3.4Å; V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.01Å
23I93.4Very high85.9Confident93 Ų93102 Ų10248%0.47752%0.523SS..Hα-helixtrans-61.9-44.3176.6-68.9167.1000110.8F19 M20 A25 V26 V27F19-I23 WeakPolarHBondContact O-CB 3.31Å; F19-I23 VanDerWaalsContact O-CG1 3.26Å; F19-I23 WeakPolarHBondContact O-CG1 3.47Å; F19-I23 PolarHBondContact O-N 3.43Å; M20-I23 PolarHBondContact O-N 3.01Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 3.49Å; I23-V26 PolarHBondContact O-N 2.78Å; I23-V27 HydrophobicContact CG2-CG2 4.34Å; I23-V27 WeakPolarHBondContact O-CG2 3.37Å; I23-V27 PolarHBondContact O-N 3.12Å
24L89.8Confident84.8Confident115 Ų11599.7 Ų99.760%0.60252%0.518SS*.Hα-helixtrans-60.8-41.5178.2-131.993.7000111.8M20 T21 V22 C28M20-L24 WeakPolarHBondContact O-CB 3.33Å; M20-L24 PolarHBondContact O-N 2.99Å; T21-L24 PolarHBondContact O-N 3.47Å; V22-L24 PolarHBondContact O-N 2.93Å; L24-C28 WeakPolarHBondContact O-CB 3.32Å; L24-C28 PolarHBondContact O-N 3.36Å; L24-C28 PolarHBondContact O-SG 2.94Å
25A89.9Confident83.5Confident52 Ų5298 Ų9843%0.4352%0.518SS..Hα-helixtrans-63.7-46.517800000111.8T21 V22 I23 V27 C28 D29T21-A25 WeakPolarHBondContact O-CB 3.1Å; T21-A25 PolarHBondContact O-N 3.46Å; V22-A25 PolarHBondContact O-N 3.4Å; I23-A25 VanDerWaalsContact C-N 3.31Å; I23-A25 PolarHBondContact O-N 3.49Å; A25-V27 PolarHBondContact O-N 2.96Å; A25-C28 WeakPolarHBondContact O-CB 3.46Å; A25-C28 PolarHBondContact O-N 3.4Å; A25-D29 PolarHBondContact O-N 3.3Å
26V91.4Very high82Confident77 Ų77100.8 Ų100.847%0.46753%0.527SS..Hα-helixtrans-63.3-42.9178.2173.20000111.6V22 I23 D29 I30V22-V26 WeakPolarHBondContact O-CG2 3.4Å; V22-V26 PolarHBondContact O-N 3.01Å; I23-V26 PolarHBondContact O-N 2.78Å; V26-D29 PolarHBondContact O-N 3.34Å; V26-I30 HydrophobicContact CG1-CD1 3.84Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.3Å; V26-I30 WeakPolarHBondContact O-CG1 3.49Å; V26-I30 PolarHBondContact O-N 2.89Å
27V88.5Confident80.4Confident73 Ų7399.7 Ų99.744%0.44252%0.523SS..Hα-helixtrans-63.5-43.2176.7171.80000111.1I23 A25 D29 I30 L31I23-V27 HydrophobicContact CG2-CG2 4.34Å; I23-V27 WeakPolarHBondContact O-CG2 3.37Å; I23-V27 PolarHBondContact O-N 3.12Å; A25-V27 PolarHBondContact O-N 2.96Å; V27-D29 VanDerWaalsContact C-N 3.33Å; V27-D29 PolarHBondContact O-N 2.98Å; V27-I30 PolarHBondContact O-N 3.39Å; V27-L31 HydrophobicContact CG1-CD1 4Å; V27-L31 HydrophobicContact CG1-CG 4.36Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 3.29Å
28C81.3Confident78.8Confident61 Ų6198 Ų9841%0.41252%0.52SS..Hα-helixtrans-59.3-42.2175-85.40000112.4L24 A25 L31 K32L24-C28 WeakPolarHBondContact O-CB 3.32Å; L24-C28 PolarHBondContact O-N 3.36Å; L24-C28 PolarHBondContact O-SG 2.94Å; A25-C28 WeakPolarHBondContact O-CB 3.46Å; A25-C28 PolarHBondContact O-N 3.4Å; C28-L31 PolarHBondContact O-N 2.78Å; C28-K32 WeakPolarHBondContact O-CB 3.21Å; C28-K32 WeakPolarHBondContact O-CG 3.32Å; C28-K32 PolarHBondContact O-N 2.93Å
29D82.4Confident77.2Confident94 Ų9498.4 Ų98.450%0.50352%0.524SS..Hα-helixtrans-69.6-38.4177.9-80.6-10.3000112.5A25 V26 V27 K32 N33A25-D29 PolarHBondContact O-N 3.3Å; V26-D29 PolarHBondContact O-N 3.34Å; V27-D29 VanDerWaalsContact C-N 3.33Å; V27-D29 PolarHBondContact O-N 2.98Å; D29-K32 PolarHBondContact O-N 2.97Å; D29-N33 WeakPolarHBondContact O-CB 3.43Å; D29-N33 PolarHBondContact O-N 3.27Å
30I80.1Confident75.6Confident103 Ų10395.9 Ų95.953%0.52852%0.523SS..Hα-helixtrans-62.4-43.6173-68.2167.2000110.6V26 V27 N33 K34V26-I30 HydrophobicContact CG1-CD1 3.84Å; V26-I30 HydrophobicContact CG1-CG1 4.46Å; V26-I30 VanDerWaalsContact O-CG1 3.3Å; V26-I30 WeakPolarHBondContact O-CG1 3.49Å; V26-I30 PolarHBondContact O-N 2.89Å; V27-I30 PolarHBondContact O-N 3.39Å; I30-N33 PolarHBondContact O-N 3.21Å; I30-K34 VanDerWaalsContact O-CB 3.31Å; I30-K34 WeakPolarHBondContact O-CB 3.4Å; I30-K34 PolarHBondContact O-N 3.47Å
31L74.5Confident74.1Confident99 Ų9995 Ų9552%0.51852%0.523SS..Hα-helixtrans-66.4-42177.8-71.2175.5000111.9V27 C28 N33 K34 Q35V27-L31 HydrophobicContact CG1-CD1 4Å; V27-L31 HydrophobicContact CG1-CG 4.36Å; V27-L31 WeakPolarHBondContact O-CB 3.47Å; V27-L31 VanDerWaalsContact O-CG 3.32Å; V27-L31 WeakPolarHBondContact O-CG 3.36Å; V27-L31 PolarHBondContact O-N 3.29Å; C28-L31 PolarHBondContact O-N 2.78Å; L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 3.24Å; L31-K34 PolarHBondContact O-N 3.04Å; L31-Q35 WeakPolarHBondContact O-CB 3.32Å; L31-Q35 WeakPolarHBondContact O-CG 3.41Å; L31-Q35 PolarHBondContact O-N 3.34Å
32K69.9Low73.5Confident125 Ų12593.5 Ų93.554%0.54352%0.517SS..Hα-helixtrans-62-41.6173.6-77.7176-177.4173.70111.8C28 D29 Q35 K36C28-K32 WeakPolarHBondContact O-CB 3.21Å; C28-K32 WeakPolarHBondContact O-CG 3.32Å; C28-K32 PolarHBondContact O-N 2.93Å; D29-K32 PolarHBondContact O-N 2.97Å; K32-Q35 PolarHBondContact O-N 3.42Å; K32-K36 WeakPolarHBondContact O-CB 3.46Å; K32-K36 WeakPolarHBondContact O-CG 3.48Å; K32-K36 PolarHBondContact O-N 3.08Å
33N66.9Low73Confident103 Ų10390.9 Ų90.955%0.55150%0.498SS*.Hα-helixtrans-67.5-38.9176.3-77.2-16.3000111.9D29 I30 L31 K36 S37D29-N33 WeakPolarHBondContact O-CB 3.43Å; D29-N33 PolarHBondContact O-N 3.27Å; I30-N33 PolarHBondContact O-N 3.21Å; L31-N33 VanDerWaalsContact C-N 3.35Å; L31-N33 PolarHBondContact O-N 3.24Å; N33-K36 PolarHBondContact O-N 3.38Å; N33-S37 WeakPolarHBondContact O-CB 3.42Å; N33-S37 PolarHBondContact O-N 3.35Å; N33-S37 PolarHBondContact O-OG 3.02Å
34K61.4Low72.6Confident120 Ų12090.4 Ų90.452%0.52249%0.494SS..Hα-helixtrans-69.4-36.5176.3-163.5179.2179.9-179.80112.3I30 L31 S37 H38I30-K34 VanDerWaalsContact O-CB 3.31Å; I30-K34 WeakPolarHBondContact O-CB 3.4Å; I30-K34 PolarHBondContact O-N 3.47Å; L31-K34 PolarHBondContact O-N 3.04Å; K34-S37 WeakPolarHBondContact CA-OG 3.36Å; K34-S37 PolarHBondContact O-N 3.35Å; K34-S37 PolarHBondContact O-OG 2.97Å; K34-H38 WeakPolarHBondContact O-CB 3.46Å; K34-H38 PolarHBondContact O-CD2 2.94Å; K34-H38 PolarHBondContact O-N 3.3Å
35Q59.6Low72.5Confident150 Ų15093.5 Ų93.570%0.70150%0.498SS*.Hα-helixtrans-67.8-42.8171.9-77.9-169.1-18.700111.6L31 K32 S37 H38 G39L31-Q35 WeakPolarHBondContact O-CB 3.32Å; L31-Q35 WeakPolarHBondContact O-CG 3.41Å; L31-Q35 PolarHBondContact O-N 3.34Å; K32-Q35 PolarHBondContact O-N 3.42Å; Q35-S37 VanDerWaalsContact C-N 3.32Å; Q35-S37 PolarHBondContact O-N 3.33Å; Q35-H38 PolarHBondContact O-N 3.5Å; Q35-G39 PolarHBondContact O-N 3.3Å
36K56Low72.5Confident157 Ų15791.2 Ų91.268%0.68348%0.478SS*.Hα-helixtrans-60.7-41172.1-79.8-179.8178.1179.10111.8K32 N33 C40K32-K36 WeakPolarHBondContact O-CB 3.46Å; K32-K36 WeakPolarHBondContact O-CG 3.48Å; K32-K36 PolarHBondContact O-N 3.08Å; N33-K36 PolarHBondContact O-N 3.38Å; K36-C40 VanDerWaalsContact O-CB 3.29Å; K36-C40 WeakPolarHBondContact O-CB 2.96Å; K36-C40 PolarHBondContact O-N 3.2Å
37S53.8Low72.4Confident60 Ų6088 Ų8842%0.4246%0.459SS..Hα-helixtrans-67.8-43177.773.90000111.6N33 K34 Q35 C40 T41N33-S37 WeakPolarHBondContact O-CB 3.42Å; N33-S37 PolarHBondContact O-N 3.35Å; N33-S37 PolarHBondContact O-OG 3.02Å; K34-S37 WeakPolarHBondContact CA-OG 3.36Å; K34-S37 PolarHBondContact O-N 3.35Å; K34-S37 PolarHBondContact O-OG 2.97Å; Q35-S37 VanDerWaalsContact C-N 3.32Å; Q35-S37 PolarHBondContact O-N 3.33Å; S37-C40 PolarHBondContact O-N 3.32Å; S37-T41 WeakPolarHBondContact O-CG2 3.23Å; S37-T41 PolarHBondContact O-N 2.97Å; S37-T41 PolarHBondContact O-OG1 3.49Å
38H57.1Low72.6Confident112 Ų11287.9 Ų87.952%0.51946%0.456SS..Hα-helixtrans-65.4-39.4174.8-85.3-64.6000112.9K34 Q35 T41 S42K34-H38 WeakPolarHBondContact O-CB 3.46Å; K34-H38 PolarHBondContact O-CD2 2.94Å; K34-H38 PolarHBondContact O-N 3.3Å; Q35-H38 PolarHBondContact O-N 3.5Å; H38-T41 WeakPolarHBondContact CA-OG1 3.44Å; H38-T41 PolarHBondContact O-N 2.96Å; H38-T41 PolarHBondContact O-OG1 3.3Å; H38-S42 VanDerWaalsContact O-CB 3.29Å; H38-S42 WeakPolarHBondContact O-CB 3.45Å; H38-S42 PolarHBondContact O-N 2.92Å
39G57.7Low73.1Confident41 Ų4187.8 Ų87.842%0.42345%0.449SS..Hα-helixtrans-65.3-41.4175.400000111.9Q35 S42 K43Q35-G39 PolarHBondContact O-N 3.3Å; G39-S42 PolarHBondContact O-N 3.48Å; G39-K43 WeakPolarHBondContact O-CB 3.3Å; G39-K43 PolarHBondContact O-N 2.9Å
40C57Low73.5Confident88 Ų8883.3 Ų83.360%0.59543%0.425SS*.Hα-helixtrans-62.8-45.7175-170.50000111.7K36 S37 K43 Q44K36-C40 VanDerWaalsContact O-CB 3.29Å; K36-C40 WeakPolarHBondContact O-CB 2.96Å; K36-C40 PolarHBondContact O-N 3.2Å; S37-C40 PolarHBondContact O-N 3.32Å; C40-K43 PolarHBondContact O-N 2.92Å; C40-Q44 PolarHBondContact O-N 3.39Å
41T61.8Low74.1Confident89 Ų8981.5 Ų81.555%0.54641%0.412SS..Hα-helixtrans-68.1-35.9177.554.90000112.6S37 H38 R45S37-T41 WeakPolarHBondContact O-CG2 3.23Å; S37-T41 PolarHBondContact O-N 2.97Å; S37-T41 PolarHBondContact O-OG1 3.49Å; H38-T41 WeakPolarHBondContact CA-OG1 3.44Å; H38-T41 PolarHBondContact O-N 2.96Å; H38-T41 PolarHBondContact O-OG1 3.3Å; T41-R45 VanDerWaalsContact O-CB 3.26Å; T41-R45 WeakPolarHBondContact O-CB 3.22Å; T41-R45 PolarHBondContact O-N 2.93Å
42S78.4Confident74.9Confident61 Ų6179.3 Ų79.343%0.42741%0.408SS..Hα-helixtrans-64-45.4174.6-166.50000111.5H38 G39 R45 A46H38-S42 VanDerWaalsContact O-CB 3.29Å; H38-S42 WeakPolarHBondContact O-CB 3.45Å; H38-S42 PolarHBondContact O-N 2.92Å; G39-S42 PolarHBondContact O-N 3.48Å; S42-R45 PolarHBondContact O-N 3.28Å; S42-A46 PolarHBondContact O-N 3.45Å
43K82.3Confident75.9Confident35 Ų3573.8 Ų73.815%0.15238%0.384CS..Hα-helixtrans-61.8-49.8177.2-179.7-178.3172.1-173.40111.4G39 C40 R45 A46 L47 L72 K78G39-K43 WeakPolarHBondContact O-CB 3.3Å; G39-K43 PolarHBondContact O-N 2.9Å; C40-K43 PolarHBondContact O-N 2.92Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 2.92Å; K43-A46 PolarHBondContact O-N 3.43Å; K43-L47 HydrophobicContact CG-CD1 4.41Å; K43-L47 WeakPolarHBondContact O-CG 3.37Å; K43-L47 PolarHBondContact O-N 3.41Å; K43-L72 HydrophobicContact CG-CD2 3.91Å; K43-K78 VanDerWaalsContact NZ-C 3.3Å; K43-K78 VanDerWaalsContact NZ-CB 3.34Å; K43-K78 PolarHBondContact NZ-O 3.3Å
44Q84.8Confident77Confident84 Ų8470.3 Ų70.339%0.39336%0.363SS..Hα-helixtrans-61.1-42.5-178.9-17357.342.500111.3C40 A46 L47 D48C40-Q44 PolarHBondContact O-N 3.39Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 3.02Å; Q44-L47 WeakPolarHBondContact O-CB 3.34Å; Q44-L47 PolarHBondContact O-N 3.31Å; Q44-L47 VanDerWaalsContact O-N 3.16Å; Q44-D48 PolarHBondContact NE2-OD1 3.46Å; Q44-D48 PolarHBondContact O-N 3.02Å
45R88.1Confident78.4Confident180 Ų18072.1 Ų72.168%0.67937%0.374SS*.Hα-helixtrans-59.1-43.1175.3-177.1178.1177169.11112.3T41 S42 K43 L47 D48 E49T41-R45 VanDerWaalsContact O-CB 3.26Å; T41-R45 WeakPolarHBondContact O-CB 3.22Å; T41-R45 PolarHBondContact O-N 2.93Å; S42-R45 PolarHBondContact O-N 3.28Å; K43-R45 VanDerWaalsContact C-N 3.3Å; K43-R45 PolarHBondContact O-N 2.92Å; R45-L47 VanDerWaalsContact C-N 3.32Å; R45-L47 PolarHBondContact O-N 3.1Å; R45-D48 PolarHBondContact O-N 3.34Å; R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 3.29Å
46A89.5Confident79.8Confident3 Ų367.9 Ų67.93%0.02536%0.36CS..Hα-helixtrans-63.3-38.4176.700000112.2S42 K43 Q44 E49 L50 L67 L72S42-A46 PolarHBondContact O-N 3.45Å; K43-A46 PolarHBondContact O-N 3.43Å; Q44-A46 VanDerWaalsContact C-N 3.33Å; Q44-A46 PolarHBondContact O-N 3.02Å; A46-E49 PolarHBondContact O-N 3.13Å; A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.82Å; A46-L67 HydrophobicContact CB-CD2 4Å; A46-L72 HydrophobicContact CB-CD2 4.32Å; A46-L72 HydrophobicContact CB-CG 4.48Å
47L90.7Very high81Confident11 Ų1162 Ų626%0.05834%0.344CS..Hα-helixtrans-65.6-45175.7-64.1175.1000112.1K43 Q44 R45 E49 L50 R51 L72 L79 I86K43-L47 HydrophobicContact CG-CD1 4.41Å; K43-L47 WeakPolarHBondContact O-CG 3.37Å; K43-L47 PolarHBondContact O-N 3.41Å; Q44-L47 WeakPolarHBondContact O-CB 3.34Å; Q44-L47 PolarHBondContact O-N 3.31Å; Q44-L47 VanDerWaalsContact O-N 3.16Å; R45-L47 VanDerWaalsContact C-N 3.32Å; R45-L47 PolarHBondContact O-N 3.1Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 2.99Å; L47-L50 PolarHBondContact O-N 3.12Å; L47-R51 WeakPolarHBondContact O-CG 3.26Å; L47-R51 PolarHBondContact O-N 3.35Å; L47-L72 HydrophobicContact CD2-CD1 4.17Å; L47-L72 HydrophobicContact CD2-CD2 3.9Å; L47-L72 HydrophobicContact CG-CD2 4.26Å; L47-L79 HydrophobicContact CD2-CD2 3.71Å; L47-I86 HydrophobicContact CD2-CD1 3.35Å
48D91Very high82.5Confident70 Ų7064.1 Ų64.137%0.37435%0.35SS..Hα-helixtrans-63.2-37.5178.4-61.3-24.1000110.9Q44 R45 R51 A52Q44-D48 PolarHBondContact NE2-OD1 3.46Å; Q44-D48 PolarHBondContact O-N 3.02Å; R45-D48 PolarHBondContact O-N 3.34Å; D48-R51 PolarHBondContact O-N 2.96Å; D48-R51 IonicContact OD1-CZ 2.79Å; D48-R51 IonicContact OD1-NH1 2.81Å; D48-R51 PolarHBondContact OD1-NH1 3.05Å; D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 3Å
49E91.8Very high83.8Confident58 Ų5864.6 Ų64.627%0.27135%0.348SS..Hα-helixtrans-70.1-40.8176.5-166.6159.4-157.600112.4R45 A46 L47 R51 A52 I53 K63 L67R45-E49 WeakPolarHBondContact O-CB 3.49Å; R45-E49 PolarHBondContact O-N 3.29Å; A46-E49 PolarHBondContact O-N 3.13Å; L47-E49 VanDerWaalsContact C-N 3.26Å; L47-E49 PolarHBondContact O-N 2.99Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.18Å; E49-A52 PolarHBondContact O-N 3.44Å; E49-I53 HydrophobicContact CG-CD1 4.48Å; E49-I53 VanDerWaalsContact O-CG1 3.28Å; E49-I53 WeakPolarHBondContact O-CG1 3.37Å; E49-I53 PolarHBondContact O-N 3.22Å; E49-K63 WeakPolarHBondContact OE1-CE 3.34Å; E49-K63 IonicContact OE1-NZ 3.89Å; E49-K63 PolarHBondContact OE1-NZ 3.36Å; E49-L67 HydrophobicContact CB-CD1 3.96Å; E49-L67 HydrophobicContact CG-CD1 3.78Å
50L92Very high85.4Confident0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-62.8-38.6172.7-74.7177.6000112.3A46 L47 I53 R54 V64 L67 L72 I86 Q89A46-L50 WeakPolarHBondContact O-CG 3.34Å; A46-L50 PolarHBondContact O-N 2.82Å; L47-L50 PolarHBondContact O-N 3.12Å; L50-I53 PolarHBondContact O-N 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.03Å; L50-V64 HydrophobicContact CD2-CB 4.16Å; L50-V64 HydrophobicContact CD2-CG1 3.93Å; L50-V64 HydrophobicContact CD2-CG2 3.98Å; L50-L67 HydrophobicContact CD2-CB 4.33Å; L50-L67 HydrophobicContact CD2-CD1 3.96Å; L50-L67 HydrophobicContact CG-CB 4.43Å; L50-L67 HydrophobicContact CG-CD1 4.07Å; L50-L72 HydrophobicContact CD1-CD1 3.33Å; L50-I86 HydrophobicContact CD1-CG1 4.39Å; L50-I86 HydrophobicContact CD1-CG2 3.89Å; L50-Q89 PolarHBondContact O-NE2 3.06Å; L50-Q89 VanDerWaalsContact O-NE2 3.1Å; L50-Q89 PolarHBondContact O-OE1 3.33Å
51R92.3Very high87.1Confident66 Ų6663 Ų6325%0.24932%0.321CS..Hα-helixtrans-61.5-48.9172.5-75179.2-151.9139.52.6111.3L47 D48 E49 I53 R54 E55 E82L47-R51 WeakPolarHBondContact O-CG 3.26Å; L47-R51 PolarHBondContact O-N 3.35Å; D48-R51 PolarHBondContact O-N 2.96Å; D48-R51 IonicContact OD1-CZ 2.79Å; D48-R51 IonicContact OD1-NH1 2.81Å; D48-R51 PolarHBondContact OD1-NH1 3.05Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.18Å; R51-I53 PolarHBondContact O-N 2.67Å; R51-R54 PolarHBondContact O-N 2.95Å; R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 WeakPolarHBondContact O-CG 3.27Å; R51-E55 PolarHBondContact O-N 3.03Å; R51-E82 IonicContact CZ-OE1 3Å; R51-E82 IonicContact CZ-OE2 3.46Å; R51-E82 VanDerWaalsContact NE-CD 3.32Å; R51-E82 IonicContact NE-OE1 2.73Å; R51-E82 PolarHBondContact NE-OE1 3.13Å; R51-E82 IonicContact NE-OE2 2.68Å; R51-E82 PolarHBondContact NE-OE2 3.41Å; R51-E82 IonicContact NH2-OE1 3.64Å; R51-E82 PolarHBondContact NH2-OE1 2.9Å; R51-E82 IonicContact NH2-OE2 2.9Å
52A92.2Very high88.6Confident52 Ų5265 Ų6543%0.4333%0.325SS..Hα-helixtrans-57.6-40.3177.800000111.6D48 E49 E55 S56D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 3Å; E49-A52 PolarHBondContact O-N 3.44Å; A52-E55 PolarHBondContact O-N 2.84Å; A52-S56 VanDerWaalsContact O-CB 3.23Å; A52-S56 WeakPolarHBondContact O-CB 3.48Å; A52-S56 PolarHBondContact O-N 3.18Å; A52-S56 PolarHBondContact O-OG 3.18Å
53I90.2Very high89.3Confident10 Ų1065.7 Ų65.75%0.05132%0.32CS..Hα-helixtrans-62-48.4174.6-66.8165.3000110.6E49 L50 R51 E55 S56 G57 E60 K63 V64 L67E49-I53 HydrophobicContact CG-CD1 4.48Å; E49-I53 VanDerWaalsContact O-CG1 3.28Å; E49-I53 WeakPolarHBondContact O-CG1 3.37Å; E49-I53 PolarHBondContact O-N 3.22Å; L50-I53 PolarHBondContact O-N 3.32Å; R51-I53 PolarHBondContact O-N 2.67Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.35Å; I53-S56 PolarHBondContact O-N 3.33Å; I53-S56 PolarHBondContact O-OG 2.95Å; I53-G57 PolarHBondContact O-N 3.43Å; I53-E60 HydrophobicContact CD1-CB 4.22Å; I53-E60 HydrophobicContact CG1-CB 4.35Å; I53-E60 WeakPolarHBondContact CG1-OE2 3.07Å; I53-E60 HydrophobicContact CG2-CB 4.24Å; I53-K63 HydrophobicContact CD1-CD 4.09Å; I53-K63 HydrophobicContact CD1-CG 4.4Å; I53-V64 HydrophobicContact CD1-CG2 3.97Å; I53-V64 HydrophobicContact CG2-CG2 3.95Å; I53-L67 HydrophobicContact CD1-CD1 4.29Å
54R90Very high89.9Confident30 Ų3064.1 Ų64.111%0.11331%0.313CS..Hα-helixtrans-59.4-43.2177.4-68-169.2-59.8-94.510.9112.7L50 R51 G57 E82 Q89 T445L50-R54 WeakPolarHBondContact O-CG 3.34Å; L50-R54 PolarHBondContact O-N 3.03Å; R51-R54 PolarHBondContact O-N 2.95Å; R54-G57 PolarHBondContact O-N 3.45Å; R54-E82 IonicContact NH2-OE2 3.19Å; R54-E82 PolarHBondContact NH2-OE2 3.38Å; R54-Q89 HydrophobicContact CG-CG 4.16Å; R54-Q89 VanDerWaalsContact CG-OE1 3.26Å; R54-T445 HydrophobicContact CG-CG2 4.34Å
55E90.1Very high90.4Very high158 Ų15860.6 Ų60.674%0.73830%0.297SS*.Hα-helixtrans-71.7-33.6-178.3-71.4170.5-168.400112.4R51 A52 I53 G57R51-E55 WeakPolarHBondContact O-CB 3.45Å; R51-E55 WeakPolarHBondContact O-CG 3.27Å; R51-E55 PolarHBondContact O-N 3.03Å; A52-E55 PolarHBondContact O-N 2.84Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 3.35Å; E55-G57 VanDerWaalsContact C-N 3.29Å; E55-G57 PolarHBondContact O-N 2.79Å
56S89.4Confident90.6Very high60 Ų6055.7 Ų55.742%0.4228%0.284SS..Hα-helixtrans-72.4-21.8177.971.80000113.7A52 I53 L58A52-S56 VanDerWaalsContact O-CB 3.23Å; A52-S56 WeakPolarHBondContact O-CB 3.48Å; A52-S56 PolarHBondContact O-N 3.18Å; A52-S56 PolarHBondContact O-OG 3.18Å; I53-S56 PolarHBondContact O-N 3.33Å; I53-S56 PolarHBondContact O-OG 2.95Å; S56-L58 PolarHBondContact O-N 2.92Å; S56-L58 WeakPolarHBondContact OG-CB 3.13Å; S56-L58 WeakPolarHBondContact OG-CG 3.43Å; S56-L58 PolarHBondContact OG-N 3.19Å
57G81.1Confident90.7Very high34 Ų3456.7 Ų56.735%0.35129%0.289SS..THydrogen-bonded Turntrans66.57.4-171.800000114.3I53 R54 E55I53-G57 PolarHBondContact O-N 3.43Å; R54-G57 PolarHBondContact O-N 3.45Å; E55-G57 VanDerWaalsContact C-N 3.29Å; E55-G57 PolarHBondContact O-N 2.79Å
58L84.4Confident90.8Very high104 Ų10456.3 Ų56.355%0.54529%0.287SS..  trans-76.3138.7179-63.6173.4000111S56 E60S56-L58 PolarHBondContact O-N 2.92Å; S56-L58 WeakPolarHBondContact OG-CB 3.13Å; S56-L58 WeakPolarHBondContact OG-CG 3.43Å; S56-L58 PolarHBondContact OG-N 3.19Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 HydrophobicContact CB-CG 4.17Å; L58-E60 PolarHBondContact O-N 3.3Å
59R85.3Confident90.8Very high123 Ų12358 Ų5846%0.46429%0.291SS..  trans-84.870.8-179.8-161.7172.4-168171.55.2111.6N61 D96 D438R59-N61 WeakPolarHBondContact CG-ND2 3.35Å; R59-N61 WeakPolarHBondContact CG-OD1 3.38Å; R59-N61 PolarHBondContact O-N 2.84Å; R59-D96 IonicContact CZ-OD1 3.65Å; R59-D96 IonicContact CZ-OD2 2.92Å; R59-D96 IonicContact NE-OD2 2.62Å; R59-D96 PolarHBondContact NE-OD2 3.22Å; R59-D96 IonicContact NH2-OD1 2.67Å; R59-D96 PolarHBondContact NH2-OD1 2.97Å; R59-D96 IonicContact NH2-OD2 3.13Å; R59-D96 PolarHBondContact NH2-OD2 2.75Å; R59-D438 IonicContact CZ-OD1 3.66Å; R59-D438 IonicContact NH1-OD1 2.51Å; R59-D438 PolarHBondContact NH1-OD1 3.22Å; R59-D438 IonicContact NH1-OD2 3.75Å; R59-D438 PolarHBondContact NH1-OD2 2.81Å; R59-D438 IonicContact NH2-OD1 3.43Å
60E91Very high90.6Very high68 Ų6861.9 Ų61.932%0.31831%0.313SS..  trans-91.753.8-179.8-61.4-166.2165.600113.2I53 L58 E62 K63 V64I53-E60 HydrophobicContact CD1-CB 4.22Å; I53-E60 HydrophobicContact CG1-CB 4.35Å; I53-E60 WeakPolarHBondContact CG1-OE2 3.07Å; I53-E60 HydrophobicContact CG2-CB 4.24Å; L58-E60 VanDerWaalsContact C-N 3.34Å; L58-E60 HydrophobicContact CB-CG 4.17Å; L58-E60 PolarHBondContact O-N 3.3Å; E60-E62 PolarHBondContact O-N 3Å; E60-K63 HydrophobicContact CB-CB 4.29Å; E60-K63 HydrophobicContact CB-CD 4.46Å; E60-K63 PolarHBondContact O-N 3.45Å; E60-K63 WeakPolarHBondContact OE2-CD 3.4Å; E60-K63 IonicContact OE2-NZ 3.01Å; E60-K63 PolarHBondContact OE2-NZ 2.85Å; E60-V64 WeakPolarHBondContact O-CG2 3.23Å; E60-V64 PolarHBondContact O-N 3.43Å
61N92.5Very high90.2Very high27 Ų2763 Ų6314%0.14432%0.321CS..Hα-helixtrans-61.4-44.7-166.9-61.6-20.4000115R59 K63 V64 I65 A93 D96 M97R59-N61 WeakPolarHBondContact CG-ND2 3.35Å; R59-N61 WeakPolarHBondContact CG-OD1 3.38Å; R59-N61 PolarHBondContact O-N 2.84Å; N61-K63 VanDerWaalsContact C-N 3.28Å; N61-K63 PolarHBondContact O-N 2.8Å; N61-V64 PolarHBondContact O-N 3.47Å; N61-I65 PolarHBondContact O-N 2.75Å; N61-A93 HydrophobicContact CB-CB 4Å; N61-D96 WeakPolarHBondContact ND2-CB 3.43Å; N61-D96 VanDerWaalsContact ND2-CG 3.33Å; N61-D96 PolarHBondContact ND2-OD2 3.37Å; N61-M97 HydrophobicContact CB-CG 4.08Å; N61-M97 HydrophobicContact CB-SD 4.28Å
62E94.1Very high89.9Confident132 Ų13259.9 Ų59.962%0.61731%0.309SS*.Hα-helixtrans-57.3-46178.4-176.4176.7-167.800110.5E60 I65 D66 M97E60-E62 PolarHBondContact O-N 3Å; E62-I65 PolarHBondContact O-N 3.15Å; E62-D66 PolarHBondContact O-N 3.43Å; E62-M97 HydrophobicContact CB-CE 4.41Å
63K93.6Very high89.5Confident74 Ų7459.5 Ų59.532%0.32230%0.303SS..Hα-helixtrans-67.8-38.8179.3-171.8-176.5172.8-168.90112.7E49 I53 E60 N61 I65 D66 L67E49-K63 WeakPolarHBondContact OE1-CE 3.34Å; E49-K63 IonicContact OE1-NZ 3.89Å; E49-K63 PolarHBondContact OE1-NZ 3.36Å; I53-K63 HydrophobicContact CD1-CD 4.09Å; I53-K63 HydrophobicContact CD1-CG 4.4Å; E60-K63 HydrophobicContact CB-CB 4.29Å; E60-K63 HydrophobicContact CB-CD 4.46Å; E60-K63 PolarHBondContact O-N 3.45Å; E60-K63 WeakPolarHBondContact OE2-CD 3.4Å; E60-K63 IonicContact OE2-NZ 3.01Å; E60-K63 PolarHBondContact OE2-NZ 2.85Å; N61-K63 VanDerWaalsContact C-N 3.28Å; N61-K63 PolarHBondContact O-N 2.8Å; K63-I65 VanDerWaalsContact C-N 3.31Å; K63-I65 PolarHBondContact O-N 3.47Å; K63-D66 PolarHBondContact O-N 2.86Å; K63-L67 HydrophobicContact CG-CD1 4.28Å; K63-L67 WeakPolarHBondContact O-CB 3.31Å; K63-L67 VanDerWaalsContact O-CG 3.23Å; K63-L67 WeakPolarHBondContact O-CG 3.5Å; K63-L67 PolarHBondContact O-N 3.48Å
64V94.6Very high89.2Confident3 Ų365.7 Ų65.72%0.01834%0.336CS..Hα-helixtrans-58-46173.6168.80000110.5L50 I53 E60 N61 W68 Q89 V90 A93L50-V64 HydrophobicContact CD2-CB 4.16Å; L50-V64 HydrophobicContact CD2-CG1 3.93Å; L50-V64 HydrophobicContact CD2-CG2 3.98Å; I53-V64 HydrophobicContact CD1-CG2 3.97Å; I53-V64 HydrophobicContact CG2-CG2 3.95Å; E60-V64 WeakPolarHBondContact O-CG2 3.23Å; E60-V64 PolarHBondContact O-N 3.43Å; N61-V64 PolarHBondContact O-N 3.47Å; V64-W68 WeakPolarHBondContact O-CB 3.39Å; V64-W68 PolarHBondContact O-N 3.47Å; V64-Q89 HydrophobicContact CG1-CG 4.05Å; V64-Q89 HydrophobicContact CG2-CG 4.38Å; V64-V90 HydrophobicContact CG1-CG2 4.01Å; V64-A93 HydrophobicContact CB-CB 3.93Å; V64-A93 HydrophobicContact CG1-CB 3.69Å
65I94.1Very high88.9Confident10 Ų1068.1 Ų68.15%0.05135%0.348CS..Hα-helixtrans-68-40.3179-72.4159.2000111.4N61 E62 K63 W68 K69 A93 M97 L102N61-I65 PolarHBondContact O-N 2.75Å; E62-I65 PolarHBondContact O-N 3.15Å; K63-I65 VanDerWaalsContact C-N 3.31Å; K63-I65 PolarHBondContact O-N 3.47Å; I65-W68 WeakPolarHBondContact O-CB 3.35Å; I65-W68 PolarHBondContact O-N 3Å; I65-K69 HydrophobicContact CG2-CD 3.71Å; I65-K69 HydrophobicContact CG2-CG 4.22Å; I65-K69 WeakPolarHBondContact O-CB 3.35Å; I65-K69 WeakPolarHBondContact O-CG 3.18Å; I65-K69 PolarHBondContact O-N 3.15Å; I65-A93 HydrophobicContact CD1-CB 4.12Å; I65-A93 HydrophobicContact CG1-CB 4.03Å; I65-M97 HydrophobicContact CD1-CB 3.74Å; I65-M97 HydrophobicContact CD1-CG 3.4Å; I65-L102 HydrophobicContact CG1-CD2 4.24Å; I65-L102 HydrophobicContact CG2-CD2 4.3Å
66D93.1Very high88.6Confident77 Ų7760.9 Ų60.941%0.41231%0.314SS..Hα-helixtrans-62.2-46.8176.4-77.6-13.9000111.6E62 K63 W68 K69 L70E62-D66 PolarHBondContact O-N 3.43Å; K63-D66 PolarHBondContact O-N 2.86Å; D66-W68 VanDerWaalsContact C-N 3.27Å; D66-W68 PolarHBondContact O-N 3.45Å; D66-K69 PolarHBondContact O-N 3.37Å; D66-L70 VanDerWaalsContact O-CB 3.22Å; D66-L70 WeakPolarHBondContact O-CB 3.2Å; D66-L70 VanDerWaalsContact O-CG 3.24Å; D66-L70 WeakPolarHBondContact O-CG 3.49Å; D66-L70 PolarHBondContact O-N 3.05Å
67L91.9Very high88.3Confident23 Ų2364.2 Ų64.212%0.1233%0.327CS..Hα-helixtrans-59.6-40.4175.7-71172.4000111.4A46 E49 L50 I53 K63 S71A46-L67 HydrophobicContact CB-CD2 4Å; E49-L67 HydrophobicContact CB-CD1 3.96Å; E49-L67 HydrophobicContact CG-CD1 3.78Å; L50-L67 HydrophobicContact CD2-CB 4.33Å; L50-L67 HydrophobicContact CD2-CD1 3.96Å; L50-L67 HydrophobicContact CG-CB 4.43Å; L50-L67 HydrophobicContact CG-CD1 4.07Å; I53-L67 HydrophobicContact CD1-CD1 4.29Å; K63-L67 HydrophobicContact CG-CD1 4.28Å; K63-L67 WeakPolarHBondContact O-CB 3.31Å; K63-L67 VanDerWaalsContact O-CG 3.23Å; K63-L67 WeakPolarHBondContact O-CG 3.5Å; K63-L67 PolarHBondContact O-N 3.48Å; L67-S71 WeakPolarHBondContact O-CB 3.3Å; L67-S71 PolarHBondContact O-N 2.72Å; L67-S71 VanDerWaalsContact O-N 3.11Å
68W93Very high88.5Confident4 Ų469.8 Ų69.82%0.01534%0.342CS..Iπ-helixtrans-62.7-55.3175.8178.3-105.7000112.3V64 I65 D66 L70 L72 C73 I76 L79 I86 L87 V90V64-W68 WeakPolarHBondContact O-CB 3.39Å; V64-W68 PolarHBondContact O-N 3.47Å; I65-W68 WeakPolarHBondContact O-CB 3.35Å; I65-W68 PolarHBondContact O-N 3Å; D66-W68 VanDerWaalsContact C-N 3.27Å; D66-W68 PolarHBondContact O-N 3.45Å; W68-L70 PolarHBondContact O-N 3.02Å; W68-L72 HydrophobicContact CD2-CB 4.42Å; W68-L72 HydrophobicContact CE3-CB 3.69Å; W68-L72 HydrophobicContact CE3-CD1 4.2Å; W68-L72 HydrophobicContact CZ3-CB 4.09Å; W68-L72 PolarHBondContact O-N 3.46Å; W68-C73 PolarHBondContact O-N 3.27Å; W68-I76 HydrophobicContact CH2-CD1 3.61Å; W68-I76 HydrophobicContact CH2-CG1 3.5Å; W68-I76 HydrophobicContact CZ2-CD1 3.47Å; W68-I76 VanDerWaalsContact CZ2-CD1 3.47Å; W68-I76 HydrophobicContact CZ2-CG1 3.87Å; W68-I76 HydrophobicContact CZ3-CG1 4.28Å; W68-L79 HydrophobicContact CZ3-CD1 4.09Å; W68-I86 HydrophobicContact CE3-CG2 3.83Å; W68-I86 HydrophobicContact CZ3-CG2 3.65Å; W68-L87 HydrophobicContact CH2-CD2 3.52Å; W68-L87 HydrophobicContact CH2-CG 4.31Å; W68-L87 HydrophobicContact CZ2-CD2 3.9Å; W68-L87 HydrophobicContact CZ3-CD2 4.46Å; W68-V90 HydrophobicContact CB-CG1 4.19Å; W68-V90 HydrophobicContact CB-CG2 3.86Å; W68-V90 HydrophobicContact CD2-CB 4.4Å; W68-V90 HydrophobicContact CD2-CG1 3.99Å; W68-V90 HydrophobicContact CD2-CG2 3.81Å; W68-V90 HydrophobicContact CE3-CG2 3.72Å; W68-V90 HydrophobicContact CG-CB 4.47Å; W68-V90 HydrophobicContact CG-CG1 3.75Å; W68-V90 HydrophobicContact CG-CG2 3.89Å; W68-V90 HydrophobicContact CZ3-CG2 4.45Å
69K90.8Very high88.5Confident104 Ų10465.6 Ų65.645%0.45232%0.32SS..Iπ-helixtrans-66.5-33.3-175.8-72.5179.3178.5171.10112.8I65 D66 C73 D99I65-K69 HydrophobicContact CG2-CD 3.71Å; I65-K69 HydrophobicContact CG2-CG 4.22Å; I65-K69 WeakPolarHBondContact O-CB 3.35Å; I65-K69 WeakPolarHBondContact O-CG 3.18Å; I65-K69 PolarHBondContact O-N 3.15Å; D66-K69 PolarHBondContact O-N 3.37Å; K69-C73 PolarHBondContact O-SG 3Å; K69-D99 IonicContact NZ-OD2 2.73Å; K69-D99 PolarHBondContact NZ-OD2 2.89Å
70L87Confident88.6Confident141 Ų14162.1 Ų62.174%0.73832%0.323SS*.Iπ-helixtrans-88.1-29.3-176.7-66.1173.6000114D66 W68D66-L70 VanDerWaalsContact O-CB 3.22Å; D66-L70 WeakPolarHBondContact O-CB 3.2Å; D66-L70 VanDerWaalsContact O-CG 3.24Å; D66-L70 WeakPolarHBondContact O-CG 3.49Å; D66-L70 PolarHBondContact O-N 3.05Å; W68-L70 PolarHBondContact O-N 3.02Å
71S84.4Confident88.2Confident24 Ų2468.7 Ų68.717%0.16835%0.346CS..Iπ-helixtrans-128.4-22.6-166.3-60.50000115.6L67L67-S71 WeakPolarHBondContact O-CB 3.3Å; L67-S71 PolarHBondContact O-N 2.72Å; L67-S71 VanDerWaalsContact O-N 3.11Å
72L84.9Confident88Confident0 Ų070 Ų700%035%0.351CS..Iπ-helixtrans-121.6-31-164.7-55.8178.7000114.7K43 A46 L47 L50 W68 D74 H75 I76 L79 I86K43-L72 HydrophobicContact CG-CD2 3.91Å; A46-L72 HydrophobicContact CB-CD2 4.32Å; A46-L72 HydrophobicContact CB-CG 4.48Å; L47-L72 HydrophobicContact CD2-CD1 4.17Å; L47-L72 HydrophobicContact CD2-CD2 3.9Å; L47-L72 HydrophobicContact CG-CD2 4.26Å; L50-L72 HydrophobicContact CD1-CD1 3.33Å; W68-L72 HydrophobicContact CD2-CB 4.42Å; W68-L72 HydrophobicContact CE3-CB 3.69Å; W68-L72 HydrophobicContact CE3-CD1 4.2Å; W68-L72 HydrophobicContact CZ3-CB 4.09Å; W68-L72 PolarHBondContact O-N 3.46Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.48Å; L72-H75 CarbonylContact O-C 3.58Å; L72-H75 PolarHBondContact O-N 2.96Å; L72-I76 WeakPolarHBondContact O-CG1 3.3Å; L72-I76 PolarHBondContact O-N 2.65Å; L72-L79 HydrophobicContact CD2-CD2 3.96Å; L72-I86 HydrophobicContact CD1-CG2 4.29Å
73C84.9Confident87.9Confident44 Ų4465.3 Ų65.330%0.29733%0.329SS..G310 helixtrans-55.9-39-175.961.40000113.5W68 K69 H75 I76W68-C73 PolarHBondContact O-N 3.27Å; K69-C73 PolarHBondContact O-SG 3Å; C73-H75 PolarHBondContact O-N 3.27Å; C73-I76 VanDerWaalsContact O-CD1 3.23Å; C73-I76 WeakPolarHBondContact O-CD1 3.32Å; C73-I76 VanDerWaalsContact O-CG1 3.24Å; C73-I76 WeakPolarHBondContact O-CG1 3.42Å
74D83.7Confident87.9Confident140 Ų14064.1 Ų64.175%0.74932%0.323SS*.G310 helixtrans-76.1-11179.1-67.2-29.6000113.6L72L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.48Å
75H82.4Confident87.8Confident80 Ų8065.8 Ų65.837%0.3733%0.334SS..G310 helixtrans-129.624.1-168.9-64.3-25.8000113.2L72 C73 D77 K78L72-H75 CarbonylContact O-C 3.58Å; L72-H75 PolarHBondContact O-N 2.96Å; C73-H75 PolarHBondContact O-N 3.27Å; H75-D77 VanDerWaalsContact C-N 3.26Å; H75-D77 PolarHBondContact O-N 3.18Å; H75-K78 WeakPolarHBondContact O-CA 3.29Å; H75-K78 WeakPolarHBondContact O-CB 3.38Å; H75-K78 PolarHBondContact O-N 3.28Å
76I84.1Confident87.8Confident6 Ų665.3 Ų65.33%0.03133%0.332CS..G310 helixtrans-54.3-42-175.8-66.3168.8000111.8W68 L72 C73 K78 L79 K83 R109W68-I76 HydrophobicContact CH2-CD1 3.61Å; W68-I76 HydrophobicContact CH2-CG1 3.5Å; W68-I76 HydrophobicContact CZ2-CD1 3.47Å; W68-I76 VanDerWaalsContact CZ2-CD1 3.47Å; W68-I76 HydrophobicContact CZ2-CG1 3.87Å; W68-I76 HydrophobicContact CZ3-CG1 4.28Å; L72-I76 WeakPolarHBondContact O-CG1 3.3Å; L72-I76 PolarHBondContact O-N 2.65Å; C73-I76 VanDerWaalsContact O-CD1 3.23Å; C73-I76 WeakPolarHBondContact O-CD1 3.32Å; C73-I76 VanDerWaalsContact O-CG1 3.24Å; C73-I76 WeakPolarHBondContact O-CG1 3.42Å; I76-K78 PolarHBondContact O-N 3.05Å; I76-L79 HydrophobicContact CB-CD1 4.42Å; I76-L79 HydrophobicContact CG2-CD1 4.35Å; I76-L79 VanDerWaalsContact O-CB 3.3Å; I76-L79 WeakPolarHBondContact O-CB 3.36Å; I76-L79 VanDerWaalsContact O-CG 3.31Å; I76-L79 WeakPolarHBondContact O-CG 3.26Å; I76-L79 PolarHBondContact O-N 3.43Å; I76-L79 VanDerWaalsContact O-N 3.16Å; I76-K83 HydrophobicContact CG2-CD 4.06Å; I76-K83 VanDerWaalsContact CG2-CE 3.48Å; I76-K83 HydrophobicContact CG2-CG 4.16Å; I76-R109 VanDerWaalsContact CD1-CZ 3.49Å; I76-R109 VanDerWaalsContact CD1-NH1 3.32Å
77D84.3Confident87.9Confident130 Ų13061.7 Ų61.770%0.69531%0.312SS*.G310 helixtrans-72-17.5-178.2-59.7-38.9000113.6H75 K83H75-D77 VanDerWaalsContact C-N 3.26Å; H75-D77 PolarHBondContact O-N 3.18Å; D77-K83 IonicContact OD1-NZ 2.58Å; D77-K83 PolarHBondContact OD1-NZ 3.47Å
78K84Confident88Confident152 Ų15261 Ų6166%0.66131%0.309SS*.G310 helixtrans-91.85.7175.5-60.3177.9-176.2170.50112.5K43 H75 I76 G80K43-K78 VanDerWaalsContact NZ-C 3.3Å; K43-K78 VanDerWaalsContact NZ-CB 3.34Å; K43-K78 PolarHBondContact NZ-O 3.3Å; H75-K78 WeakPolarHBondContact O-CA 3.29Å; H75-K78 WeakPolarHBondContact O-CB 3.38Å; H75-K78 PolarHBondContact O-N 3.28Å; I76-K78 PolarHBondContact O-N 3.05Å; K78-G80 VanDerWaalsContact C-N 3.29Å
79L85.1Confident88.1Confident15 Ų1561.4 Ų61.48%0.07931%0.311CS..SBendtrans-75.5-17.7180-67.5173.7000113L47 W68 L72 I76 K83 I86L47-L79 HydrophobicContact CD2-CD2 3.71Å; W68-L79 HydrophobicContact CZ3-CD1 4.09Å; L72-L79 HydrophobicContact CD2-CD2 3.96Å; I76-L79 HydrophobicContact CB-CD1 4.42Å; I76-L79 HydrophobicContact CG2-CD1 4.35Å; I76-L79 VanDerWaalsContact O-CB 3.3Å; I76-L79 WeakPolarHBondContact O-CB 3.36Å; I76-L79 VanDerWaalsContact O-CG 3.31Å; I76-L79 WeakPolarHBondContact O-CG 3.26Å; I76-L79 PolarHBondContact O-N 3.43Å; I76-L79 VanDerWaalsContact O-N 3.16Å; L79-K83 HydrophobicContact CB-CB 3.85Å; L79-K83 HydrophobicContact CB-CG 4.42Å; L79-K83 HydrophobicContact CD1-CG 4.45Å; L79-I86 HydrophobicContact CD1-CD1 4.44Å; L79-I86 HydrophobicContact CD2-CD1 4.19Å
80G86.5Confident88.3Confident50 Ų5056.5 Ų56.552%0.51529%0.289SS..G310 helixtrans66.2-140.3179.900000112.2K78 E82 K83K78-G80 VanDerWaalsContact C-N 3.29Å; G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 PolarHBondContact O-N 3.06Å; G80-K83 VanDerWaalsContact O-CB 3.24Å; G80-K83 WeakPolarHBondContact O-CB 3.45Å; G80-K83 PolarHBondContact O-N 3.23Å
81Y84.3Confident88.8Confident207 Ų20749.8 Ų49.881%0.81225%0.254SS*.G310 helixtrans-64.7-28.7-174.4-58.8-76.4000113.8K83Y81-K83 PolarHBondContact O-N 3.28Å
82E87.7Confident89.3Confident54 Ų5449.1 Ų49.125%0.25225%0.249SC..G310 helixtrans-78.9-5.9-179.9-69.4-176.5-134.100113.7R51 R54 G80 Y84 S85 I86R51-E82 IonicContact CZ-OE1 3Å; R51-E82 IonicContact CZ-OE2 3.46Å; R51-E82 VanDerWaalsContact NE-CD 3.32Å; R51-E82 IonicContact NE-OE1 2.73Å; R51-E82 PolarHBondContact NE-OE1 3.13Å; R51-E82 IonicContact NE-OE2 2.68Å; R51-E82 PolarHBondContact NE-OE2 3.41Å; R51-E82 IonicContact NH2-OE1 3.64Å; R51-E82 PolarHBondContact NH2-OE1 2.9Å; R51-E82 IonicContact NH2-OE2 2.9Å; R54-E82 IonicContact NH2-OE2 3.19Å; R54-E82 PolarHBondContact NH2-OE2 3.38Å; G80-E82 VanDerWaalsContact C-N 3.29Å; G80-E82 PolarHBondContact O-N 3.06Å; E82-Y84 VanDerWaalsContact C-N 3.27Å; E82-Y84 PolarHBondContact O-N 3.25Å; E82-S85 PolarHBondContact O-N 2.96Å; E82-I86 HydrophobicContact CB-CD1 3.96Å; E82-I86 HydrophobicContact CB-CG1 4.47Å; E82-I86 WeakPolarHBondContact O-CG1 3.3Å; E82-I86 PolarHBondContact O-N 3.14Å
83K92.4Very high89.8Confident34 Ų3449.1 Ų49.115%0.14825%0.249CC..Hα-helixtrans-47.1-50.1-176.6176.9171.9169.9166.90112.2I76 D77 L79 G80 Y81 L87I76-K83 HydrophobicContact CG2-CD 4.06Å; I76-K83 VanDerWaalsContact CG2-CE 3.48Å; I76-K83 HydrophobicContact CG2-CG 4.16Å; D77-K83 IonicContact OD1-NZ 2.58Å; D77-K83 PolarHBondContact OD1-NZ 3.47Å; L79-K83 HydrophobicContact CB-CB 3.85Å; L79-K83 HydrophobicContact CB-CG 4.42Å; L79-K83 HydrophobicContact CD1-CG 4.45Å; G80-K83 VanDerWaalsContact O-CB 3.24Å; G80-K83 WeakPolarHBondContact O-CB 3.45Å; G80-K83 PolarHBondContact O-N 3.23Å; Y81-K83 PolarHBondContact O-N 3.28Å; K83-L87 HydrophobicContact CG-CD1 4.14Å; K83-L87 VanDerWaalsContact O-CG 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 3.03Å
84Y93.5Very high90.3Very high49 Ų4947 Ų4719%0.19224%0.235CC..Hα-helixtrans-78.8-38.4-173-56.7-71000112.5E82 I86 L87 E88 L110 K113 F114E82-Y84 VanDerWaalsContact C-N 3.27Å; E82-Y84 PolarHBondContact O-N 3.25Å; Y84-I86 PolarHBondContact O-N 2.79Å; Y84-L87 HydrophobicContact CD1-CD1 4.01Å; Y84-L87 HydrophobicContact CE1-CD1 4.49Å; Y84-L87 PolarHBondContact O-N 3.34Å; Y84-L87 VanDerWaalsContact O-N 3.14Å; Y84-E88 VanDerWaalsContact O-CG 3.32Å; Y84-E88 WeakPolarHBondContact O-CG 3.41Å; Y84-E88 PolarHBondContact O-N 2.95Å; Y84-L110 HydrophobicContact CD1-CD2 4.08Å; Y84-K113 HydrophobicContact CE1-CB 3.86Å; Y84-K113 HydrophobicContact CE1-CG 3.93Å; Y84-K113 HydrophobicContact CE2-CG 4.21Å; Y84-F114 HydrophobicContact CD1-CD2 4.46Å; Y84-F114 AromaticContact CD1-CE2 3.77Å; Y84-F114 HydrophobicContact CD1-CE2 3.77Å; Y84-F114 AromaticContact CD2-CE2 3.74Å; Y84-F114 HydrophobicContact CD2-CE2 3.74Å; Y84-F114 AromaticContact CD2-CZ 3.98Å; Y84-F114 HydrophobicContact CD2-CZ 3.98Å; Y84-F114 HydrophobicContact CE1-CE2 4.12Å; Y84-F114 HydrophobicContact CE2-CE2 4.1Å; Y84-F114 HydrophobicContact CE2-CZ 4.2Å; Y84-F114 AromaticContact CG-CE2 3.57Å; Y84-F114 HydrophobicContact CG-CE2 3.57Å; Y84-F114 HydrophobicContact CG-CZ 4.26Å
85S92.7Very high90.9Very high38 Ų3841.6 Ų41.627%0.26621%0.206SC..Hα-helixtrans-60.2-36.6173.3-52.50000112.1E82 Q89E82-S85 PolarHBondContact O-N 2.96Å; S85-Q89 PolarHBondContact O-N 3.05Å; S85-Q89 VanDerWaalsContact O-N 3.09Å
86I92.9Very high91.4Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-69.9-44.8174-66.4163.7000110.7L47 L50 W68 L72 L79 E82 Y84 E88 Q89 V90L47-I86 HydrophobicContact CD2-CD1 3.35Å; L50-I86 HydrophobicContact CD1-CG1 4.39Å; L50-I86 HydrophobicContact CD1-CG2 3.89Å; W68-I86 HydrophobicContact CE3-CG2 3.83Å; W68-I86 HydrophobicContact CZ3-CG2 3.65Å; L72-I86 HydrophobicContact CD1-CG2 4.29Å; L79-I86 HydrophobicContact CD1-CD1 4.44Å; L79-I86 HydrophobicContact CD2-CD1 4.19Å; E82-I86 HydrophobicContact CB-CD1 3.96Å; E82-I86 HydrophobicContact CB-CG1 4.47Å; E82-I86 WeakPolarHBondContact O-CG1 3.3Å; E82-I86 PolarHBondContact O-N 3.14Å; Y84-I86 PolarHBondContact O-N 2.79Å; I86-E88 PolarHBondContact O-N 3Å; I86-Q89 PolarHBondContact O-N 3.17Å; I86-V90 HydrophobicContact CG2-CG2 4.09Å; I86-V90 WeakPolarHBondContact O-CB 3.45Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.49Å; I86-V90 PolarHBondContact O-N 3Å
87L95.3Very high91.9Very high0 Ų045.1 Ų45.10%023%0.225CC..Hα-helixtrans-57.6-39.3176.4-77.5169.8000111.9W68 K83 Y84 F91 C106 R109 L110W68-L87 HydrophobicContact CH2-CD2 3.52Å; W68-L87 HydrophobicContact CH2-CG 4.31Å; W68-L87 HydrophobicContact CZ2-CD2 3.9Å; W68-L87 HydrophobicContact CZ3-CD2 4.46Å; K83-L87 HydrophobicContact CG-CD1 4.14Å; K83-L87 VanDerWaalsContact O-CG 3.31Å; K83-L87 WeakPolarHBondContact O-CG 3.47Å; K83-L87 PolarHBondContact O-N 3.03Å; Y84-L87 HydrophobicContact CD1-CD1 4.01Å; Y84-L87 HydrophobicContact CE1-CD1 4.49Å; Y84-L87 PolarHBondContact O-N 3.34Å; Y84-L87 VanDerWaalsContact O-N 3.14Å; L87-F91 WeakPolarHBondContact O-CB 3.46Å; L87-F91 PolarHBondContact O-N 3.15Å; L87-C106 HydrophobicContact CD2-CB 4.27Å; L87-R109 HydrophobicContact CD1-CB 4.04Å; L87-L110 HydrophobicContact CB-CD1 4.36Å; L87-L110 HydrophobicContact CB-CD2 4.09Å; L87-L110 HydrophobicContact CB-CG 4.18Å
88E95.1Very high92.3Very high9 Ų941.4 Ų41.44%0.04222%0.218CC..Hα-helixtrans-67.6-43.7175.5-65.9-179.6-16400112.5Y84 I86 V90 F91 I92 L110 R119 L123Y84-E88 VanDerWaalsContact O-CG 3.32Å; Y84-E88 WeakPolarHBondContact O-CG 3.41Å; Y84-E88 PolarHBondContact O-N 2.95Å; I86-E88 PolarHBondContact O-N 3Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 3.1Å; E88-F91 WeakPolarHBondContact O-CB 3.27Å; E88-F91 PolarHBondContact O-N 3.4Å; E88-I92 WeakPolarHBondContact O-CD1 3.47Å; E88-I92 VanDerWaalsContact O-CG1 3.32Å; E88-I92 WeakPolarHBondContact O-CG1 3.46Å; E88-I92 PolarHBondContact O-N 2.77Å; E88-L110 HydrophobicContact CG-CD1 3.79Å; E88-L110 HydrophobicContact CG-CD2 3.79Å; E88-L110 HydrophobicContact CG-CG 4.48Å; E88-R119 IonicContact OE1-CZ 3.64Å; E88-R119 IonicContact OE1-NE 2.85Å; E88-R119 PolarHBondContact OE1-NE 3.44Å; E88-R119 IonicContact OE1-NH2 3.53Å; E88-R119 IonicContact OE2-CZ 3.92Å; E88-R119 IonicContact OE2-NE 2.69Å; E88-R119 PolarHBondContact OE2-NE 2.51Å; E88-R119 IonicContact OE2-NH2 3.99Å; E88-R119 PolarHBondContact OE2-NH2 2.96Å; E88-L123 HydrophobicContact CB-CD1 4.19Å; E88-L123 HydrophobicContact CG-CD1 3.61Å
89Q94.5Very high92.9Very high13 Ų1336 Ų366%0.06120%0.196CC..Hα-helixtrans-61.2-43176.1-175.2-178.79.100111.6L50 R54 V64 S85 I86 A93L50-Q89 PolarHBondContact O-NE2 3.06Å; L50-Q89 VanDerWaalsContact O-NE2 3.1Å; L50-Q89 PolarHBondContact O-OE1 3.33Å; R54-Q89 HydrophobicContact CG-CG 4.16Å; R54-Q89 VanDerWaalsContact CG-OE1 3.26Å; V64-Q89 HydrophobicContact CG1-CG 4.05Å; V64-Q89 HydrophobicContact CG2-CG 4.38Å; S85-Q89 PolarHBondContact O-N 3.05Å; S85-Q89 VanDerWaalsContact O-N 3.09Å; I86-Q89 PolarHBondContact O-N 3.17Å; Q89-A93 WeakPolarHBondContact O-CB 3.43Å; Q89-A93 PolarHBondContact O-N 2.72Å
90V95.4Very high93.4Very high0 Ų038.2 Ų38.20%021%0.208CC..Hα-helixtrans-69-39.9177.1174.90000110.9V64 W68 I86 E88 I92 A93 A94 L102V64-V90 HydrophobicContact CG1-CG2 4.01Å; W68-V90 HydrophobicContact CB-CG1 4.19Å; W68-V90 HydrophobicContact CB-CG2 3.86Å; W68-V90 HydrophobicContact CD2-CB 4.4Å; W68-V90 HydrophobicContact CD2-CG1 3.99Å; W68-V90 HydrophobicContact CD2-CG2 3.81Å; W68-V90 HydrophobicContact CE3-CG2 3.72Å; W68-V90 HydrophobicContact CG-CB 4.47Å; W68-V90 HydrophobicContact CG-CG1 3.75Å; W68-V90 HydrophobicContact CG-CG2 3.89Å; W68-V90 HydrophobicContact CZ3-CG2 4.45Å; I86-V90 HydrophobicContact CG2-CG2 4.09Å; I86-V90 WeakPolarHBondContact O-CB 3.45Å; I86-V90 VanDerWaalsContact O-CG2 3.28Å; I86-V90 WeakPolarHBondContact O-CG2 3.49Å; I86-V90 PolarHBondContact O-N 3Å; E88-V90 VanDerWaalsContact C-N 3.34Å; E88-V90 PolarHBondContact O-N 3.1Å; V90-I92 PolarHBondContact O-N 2.97Å; V90-A93 PolarHBondContact O-N 3.02Å; V90-A94 WeakPolarHBondContact O-CB 3.42Å; V90-A94 PolarHBondContact O-N 3.24Å; V90-L102 HydrophobicContact CG1-CD1 4.19Å; V90-L102 HydrophobicContact CG1-CD2 3.92Å; V90-L102 HydrophobicContact CG1-CG 4.13Å
91F96.2Very high93.8Very high0 Ų042.5 Ų42.50%022%0.219CC..Hα-helixtrans-57.2-49.2174.1168.4-99.6000111.6L87 E88 A94 L95 A103 C106 L107 L123 Y127L87-F91 WeakPolarHBondContact O-CB 3.46Å; L87-F91 PolarHBondContact O-N 3.15Å; E88-F91 WeakPolarHBondContact O-CB 3.27Å; E88-F91 PolarHBondContact O-N 3.4Å; F91-A94 WeakPolarHBondContact O-CB 3.33Å; F91-A94 PolarHBondContact O-N 3.06Å; F91-L95 HydrophobicContact CD1-CD1 4.29Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.19Å; F91-L95 HydrophobicContact CE2-CD1 4.18Å; F91-L95 HydrophobicContact CE2-CD2 4.24Å; F91-L95 HydrophobicContact CE2-CG 4.14Å; F91-L95 HydrophobicContact CZ-CD1 3.47Å; F91-L95 VanDerWaalsContact CZ-CD1 3.47Å; F91-L95 HydrophobicContact CZ-CD2 4.25Å; F91-L95 HydrophobicContact CZ-CG 3.93Å; F91-L95 WeakPolarHBondContact O-CG 3.23Å; F91-L95 PolarHBondContact O-N 2.93Å; F91-A103 HydrophobicContact CD2-CB 4.07Å; F91-A103 VanDerWaalsContact CD2-O 3.27Å; F91-A103 WeakPolarHBondContact CD2-O 3.38Å; F91-A103 HydrophobicContact CE2-CB 4.12Å; F91-C106 HydrophobicContact CB-CB 3.85Å; F91-C106 HydrophobicContact CD2-CB 4.43Å; F91-L107 HydrophobicContact CD2-CB 4.07Å; F91-L107 HydrophobicContact CE2-CB 3.87Å; F91-L107 HydrophobicContact CE2-CD1 4.33Å; F91-L107 HydrophobicContact CE2-CD2 4.09Å; F91-L107 HydrophobicContact CE2-CG 4.34Å; F91-L107 HydrophobicContact CZ-CD1 4.45Å; F91-L107 HydrophobicContact CZ-CD2 4.48Å; F91-L123 HydrophobicContact CD1-CB 4.17Å; F91-L123 HydrophobicContact CD1-CD1 4.31Å; F91-L123 HydrophobicContact CD1-CD2 3.89Å; F91-L123 HydrophobicContact CD1-CG 4.34Å; F91-L123 HydrophobicContact CE1-CB 3.64Å; F91-L123 HydrophobicContact CE1-CD2 3.78Å; F91-L123 HydrophobicContact CE1-CG 4.18Å; F91-L123 HydrophobicContact CZ-CB 4.18Å; F91-L123 VanDerWaalsContact CZ-O 3.26Å; F91-L123 WeakPolarHBondContact CZ-O 3.28Å; F91-Y127 HydrophobicContact CE2-CD2 4.38Å
92I94.9Very high94.4Very high10 Ų1033.2 Ų33.25%0.05118%0.183CC..Hα-helixtrans-58.7-49.8176.8-74.2159.7000110.6E88 V90 A94 L95 D96 I441E88-I92 WeakPolarHBondContact O-CD1 3.47Å; E88-I92 VanDerWaalsContact O-CG1 3.32Å; E88-I92 WeakPolarHBondContact O-CG1 3.46Å; E88-I92 PolarHBondContact O-N 2.77Å; V90-I92 PolarHBondContact O-N 2.97Å; I92-A94 VanDerWaalsContact C-N 3.27Å; I92-A94 PolarHBondContact O-N 3.48Å; I92-L95 PolarHBondContact O-N 3.44Å; I92-D96 PolarHBondContact O-N 2.9Å; I92-D96 VanDerWaalsContact O-N 3.11Å; I92-I441 HydrophobicContact CB-CG2 4.18Å; I92-I441 HydrophobicContact CD1-CG2 3.6Å; I92-I441 HydrophobicContact CG1-CG2 3.92Å; I92-I441 HydrophobicContact CG2-CD1 4.35Å; I92-I441 HydrophobicContact CG2-CG2 3.22Å
93A95.2Very high94.8Very high1 Ų130.6 Ų30.61%0.00817%0.171CC..Hα-helixtrans-61.4-38.3178.700000111.9N61 V64 I65 Q89 V90 D96 M97N61-A93 HydrophobicContact CB-CB 4Å; V64-A93 HydrophobicContact CB-CB 3.93Å; V64-A93 HydrophobicContact CG1-CB 3.69Å; I65-A93 HydrophobicContact CD1-CB 4.12Å; I65-A93 HydrophobicContact CG1-CB 4.03Å; Q89-A93 WeakPolarHBondContact O-CB 3.43Å; Q89-A93 PolarHBondContact O-N 2.72Å; V90-A93 PolarHBondContact O-N 3.02Å; A93-D96 PolarHBondContact O-N 3.41Å; A93-M97 WeakPolarHBondContact O-CB 3.28Å; A93-M97 WeakPolarHBondContact O-CG 3.21Å; A93-M97 PolarHBondContact O-N 2.91Å
94A96.6Very high95Very high0 Ų030.8 Ų30.80%018%0.176CC..Hα-helixtrans-64.8-44.1177.900000111.8V90 F91 I92 D96 M97 G98 D99 L102 A103V90-A94 WeakPolarHBondContact O-CB 3.42Å; V90-A94 PolarHBondContact O-N 3.24Å; F91-A94 WeakPolarHBondContact O-CB 3.33Å; F91-A94 PolarHBondContact O-N 3.06Å; I92-A94 VanDerWaalsContact C-N 3.27Å; I92-A94 PolarHBondContact O-N 3.48Å; A94-D96 VanDerWaalsContact C-N 3.32Å; A94-D96 PolarHBondContact O-N 3.2Å; A94-M97 PolarHBondContact O-N 3.38Å; A94-G98 PolarHBondContact O-N 3.01Å; A94-D99 HydrophobicContact CB-CB 4.3Å; A94-D99 PolarHBondContact O-N 2.96Å; A94-L102 HydrophobicContact CB-CB 4.1Å; A94-L102 HydrophobicContact CB-CD2 4.04Å; A94-L102 HydrophobicContact CB-CG 3.94Å; A94-A103 HydrophobicContact CB-CB 3.97Å
95L95.4Very high95.1Very high26 Ų2632.1 Ų32.114%0.13618%0.184CC..Hα-helixtrans-57.7-45.7173.3-71.8-174.6000111.7F91 I92 M97 G98 A103 M126 Y127 S130F91-L95 HydrophobicContact CD1-CD1 4.29Å; F91-L95 HydrophobicContact CE1-CD1 3.51Å; F91-L95 HydrophobicContact CE1-CG 4.19Å; F91-L95 HydrophobicContact CE2-CD1 4.18Å; F91-L95 HydrophobicContact CE2-CD2 4.24Å; F91-L95 HydrophobicContact CE2-CG 4.14Å; F91-L95 HydrophobicContact CZ-CD1 3.47Å; F91-L95 VanDerWaalsContact CZ-CD1 3.47Å; F91-L95 HydrophobicContact CZ-CD2 4.25Å; F91-L95 HydrophobicContact CZ-CG 3.93Å; F91-L95 WeakPolarHBondContact O-CG 3.23Å; F91-L95 PolarHBondContact O-N 2.93Å; I92-L95 PolarHBondContact O-N 3.44Å; L95-M97 VanDerWaalsContact C-N 3.3Å; L95-M97 PolarHBondContact O-N 2.87Å; L95-G98 PolarHBondContact O-N 3.44Å; L95-G98 VanDerWaalsContact O-N 3.15Å; L95-A103 HydrophobicContact CD2-CB 3.79Å; L95-A103 HydrophobicContact CG-CB 4.32Å; L95-M126 HydrophobicContact CD1-CB 4.03Å; L95-M126 HydrophobicContact CD1-CE 4.23Å; L95-Y127 HydrophobicContact CD2-CD2 4.09Å; L95-S130 WeakPolarHBondContact CD2-OG 3.5Å
96D92.7Very high95.2Very high57 Ų5730.3 Ų30.331%0.30517%0.172SC..Hα-helixtrans-66.6-32.6-178.7-71.1-15.5000113.2R59 N61 I92 A93 A94 G98R59-D96 IonicContact CZ-OD1 3.65Å; R59-D96 IonicContact CZ-OD2 2.92Å; R59-D96 IonicContact NE-OD2 2.62Å; R59-D96 PolarHBondContact NE-OD2 3.22Å; R59-D96 IonicContact NH2-OD1 2.67Å; R59-D96 PolarHBondContact NH2-OD1 2.97Å; R59-D96 IonicContact NH2-OD2 3.13Å; R59-D96 PolarHBondContact NH2-OD2 2.75Å; N61-D96 WeakPolarHBondContact ND2-CB 3.43Å; N61-D96 VanDerWaalsContact ND2-CG 3.33Å; N61-D96 PolarHBondContact ND2-OD2 3.37Å; I92-D96 PolarHBondContact O-N 2.9Å; I92-D96 VanDerWaalsContact O-N 3.11Å; A93-D96 PolarHBondContact O-N 3.41Å; A94-D96 VanDerWaalsContact C-N 3.32Å; A94-D96 PolarHBondContact O-N 3.2Å; D96-G98 VanDerWaalsContact C-N 3.32Å
97M94.7Very high95.4Very high103 Ų10330.5 Ų30.551%0.50717%0.172SC..Hα-helixtrans-85.5-4.2176.3-67.2-61-70.500113.2N61 E62 I65 A93 A94 L95 D99N61-M97 HydrophobicContact CB-CG 4.08Å; N61-M97 HydrophobicContact CB-SD 4.28Å; E62-M97 HydrophobicContact CB-CE 4.41Å; I65-M97 HydrophobicContact CD1-CB 3.74Å; I65-M97 HydrophobicContact CD1-CG 3.4Å; A93-M97 WeakPolarHBondContact O-CB 3.28Å; A93-M97 WeakPolarHBondContact O-CG 3.21Å; A93-M97 PolarHBondContact O-N 2.91Å; A94-M97 PolarHBondContact O-N 3.38Å; L95-M97 VanDerWaalsContact C-N 3.3Å; L95-M97 PolarHBondContact O-N 2.87Å; M97-D99 PolarHBondContact O-N 3.28Å
98G93.6Very high95.5Very high52 Ų5235.1 Ų35.154%0.53620%0.197SC..THydrogen-bonded Turntrans67.221.1-173.900000114A94 L95 D96 D100A94-G98 PolarHBondContact O-N 3.01Å; L95-G98 PolarHBondContact O-N 3.44Å; L95-G98 VanDerWaalsContact O-N 3.15Å; D96-G98 VanDerWaalsContact C-N 3.32Å; G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.71Å
99D95.7Very high95.5Very high39 Ų3938.7 Ų38.721%0.20921%0.21CC..  trans-81.576.2174.3-166.2-21.5000109.2K69 A94 M97 D101 L102 A103K69-D99 IonicContact NZ-OD2 2.73Å; K69-D99 PolarHBondContact NZ-OD2 2.89Å; A94-D99 HydrophobicContact CB-CB 4.3Å; A94-D99 PolarHBondContact O-N 2.96Å; M97-D99 PolarHBondContact O-N 3.28Å; D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 3.15Å; D99-L102 HydrophobicContact CB-CB 4.22Å; D99-L102 VanDerWaalsContact CG-CB 3.49Å; D99-L102 PolarHBondContact O-N 2.77Å; D99-L102 WeakPolarHBondContact OD1-CB 3.43Å; D99-L102 PolarHBondContact OD1-N 2.95Å; D99-A103 WeakPolarHBondContact O-CB 3.48Å; D99-A103 PolarHBondContact O-N 3.11Å
100D95.2Very high95.5Very high61 Ų6138.1 Ų38.133%0.32621%0.207SC..Hα-helixtrans-60.2-37.4-174.7-82.3-29000113.7G98 A103 C104 K131G98-D100 VanDerWaalsContact C-N 3.26Å; G98-D100 PolarHBondContact O-N 2.71Å; D100-A103 PolarHBondContact O-N 3.11Å; D100-C104 WeakPolarHBondContact O-CB 3.06Å; D100-C104 PolarHBondContact O-N 3.14Å; D100-K131 VanDerWaalsContact CB-NZ 3.31Å; D100-K131 IonicContact OD1-NZ 3.2Å; D100-K131 PolarHBondContact OD1-NZ 3.12Å; D100-K131 IonicContact OD2-NZ 4Å; D100-K131 PolarHBondContact OD2-NZ 3.04Å
101D96.1Very high95.6Very high140 Ų14040 Ų4075%0.74922%0.217SC*.Hα-helixtrans-65.8-46.4-179.8-67.7-30000110.2D99 C104 E105D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 3.15Å; D101-C104 PolarHBondContact O-N 2.99Å; D101-E105 PolarHBondContact O-N 3.22Å
102L95.8Very high95.5Very high11 Ų1144.3 Ų44.36%0.05825%0.253CS..Hα-helixtrans-66.8-39.3176.918059.1000112I65 V90 A94 D99 E105 C106I65-L102 HydrophobicContact CG1-CD2 4.24Å; I65-L102 HydrophobicContact CG2-CD2 4.3Å; V90-L102 HydrophobicContact CG1-CD1 4.19Å; V90-L102 HydrophobicContact CG1-CD2 3.92Å; V90-L102 HydrophobicContact CG1-CG 4.13Å; A94-L102 HydrophobicContact CB-CB 4.1Å; A94-L102 HydrophobicContact CB-CD2 4.04Å; A94-L102 HydrophobicContact CB-CG 3.94Å; D99-L102 HydrophobicContact CB-CB 4.22Å; D99-L102 VanDerWaalsContact CG-CB 3.49Å; D99-L102 PolarHBondContact O-N 2.77Å; D99-L102 WeakPolarHBondContact OD1-CB 3.43Å; D99-L102 PolarHBondContact OD1-N 2.95Å; L102-E105 PolarHBondContact O-N 3.43Å; L102-C106 WeakPolarHBondContact O-CB 3.44Å; L102-C106 PolarHBondContact O-N 2.96Å; L102-C106 PolarHBondContact O-SG 3.47Å
103A96.8Very high95.5Very high0 Ų049.8 Ų49.80%028%0.276CS..Hα-helixtrans-61.2-46.6175.500000111.1F91 A94 L95 D99 D100 E105 C106 L107 Y127F91-A103 HydrophobicContact CD2-CB 4.07Å; F91-A103 VanDerWaalsContact CD2-O 3.27Å; F91-A103 WeakPolarHBondContact CD2-O 3.38Å; F91-A103 HydrophobicContact CE2-CB 4.12Å; A94-A103 HydrophobicContact CB-CB 3.97Å; L95-A103 HydrophobicContact CD2-CB 3.79Å; L95-A103 HydrophobicContact CG-CB 4.32Å; D99-A103 WeakPolarHBondContact O-CB 3.48Å; D99-A103 PolarHBondContact O-N 3.11Å; D100-A103 PolarHBondContact O-N 3.11Å; A103-E105 PolarHBondContact O-N 3.39Å; A103-C106 PolarHBondContact O-N 3.17Å; A103-L107 VanDerWaalsContact O-CB 3.26Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 3.27Å; A103-Y127 HydrophobicContact CB-CD2 4.34Å; A103-Y127 HydrophobicContact CB-CE2 4.39Å
104C96.8Very high95.4Very high37 Ų3752.2 Ų52.225%0.2529%0.287CS..Hα-helixtrans-60.6-46.4176.8-166.40000111.5D100 D101 C106 L107 D108 Y127D100-C104 WeakPolarHBondContact O-CB 3.06Å; D100-C104 PolarHBondContact O-N 3.14Å; D101-C104 PolarHBondContact O-N 2.99Å; C104-C106 VanDerWaalsContact C-N 3.35Å; C104-C106 PolarHBondContact O-N 2.76Å; C104-L107 PolarHBondContact O-N 2.71Å; C104-D108 WeakPolarHBondContact O-CB 3.49Å; C104-D108 PolarHBondContact O-N 3.27Å; C104-Y127 HydrophobicContact CB-CE2 4.31Å
105E95.7Very high95.2Very high78 Ų7861.7 Ų61.736%0.36432%0.323SS..Hα-helixtrans-58.8-45.4178.8-168.9-164.7155.200112.2D101 L102 A103 R109D101-E105 PolarHBondContact O-N 3.22Å; L102-E105 PolarHBondContact O-N 3.43Å; A103-E105 PolarHBondContact O-N 3.39Å; E105-R109 WeakPolarHBondContact O-CG 3.33Å; E105-R109 PolarHBondContact O-N 2.93Å; E105-R109 IonicContact OE1-CZ 3.08Å; E105-R109 VanDerWaalsContact OE1-CZ 3.3Å; E105-R109 IonicContact OE1-NE 2.62Å; E105-R109 PolarHBondContact OE1-NE 3.2Å; E105-R109 IonicContact OE1-NH2 2.94Å; E105-R109 PolarHBondContact OE1-NH2 2.9Å
106C95.7Very high95Very high0 Ų067.9 Ų67.90%036%0.356CS..Hα-helixtrans-65.7-43.1179.3-66.40000111.2L87 F91 L102 A103 C104 R109 L110L87-C106 HydrophobicContact CD2-CB 4.27Å; F91-C106 HydrophobicContact CB-CB 3.85Å; F91-C106 HydrophobicContact CD2-CB 4.43Å; L102-C106 WeakPolarHBondContact O-CB 3.44Å; L102-C106 PolarHBondContact O-N 2.96Å; L102-C106 PolarHBondContact O-SG 3.47Å; A103-C106 PolarHBondContact O-N 3.17Å; C104-C106 VanDerWaalsContact C-N 3.35Å; C104-C106 PolarHBondContact O-N 2.76Å; C106-R109 PolarHBondContact O-N 2.85Å; C106-L110 VanDerWaalsContact O-CG 3.29Å; C106-L110 WeakPolarHBondContact O-CG 3.22Å; C106-L110 PolarHBondContact O-N 3.22Å; C106-L110 VanDerWaalsContact O-N 3.09Å
107L96.7Very high95Very high3 Ų366.8 Ų66.82%0.01635%0.353CS..Hα-helixtrans-65.1-43-179.5-17659.2000112.5F91 A103 C104 R109 L110 L111 L123 F124 Y127F91-L107 HydrophobicContact CD2-CB 4.07Å; F91-L107 HydrophobicContact CE2-CB 3.87Å; F91-L107 HydrophobicContact CE2-CD1 4.33Å; F91-L107 HydrophobicContact CE2-CD2 4.09Å; F91-L107 HydrophobicContact CE2-CG 4.34Å; F91-L107 HydrophobicContact CZ-CD1 4.45Å; F91-L107 HydrophobicContact CZ-CD2 4.48Å; A103-L107 VanDerWaalsContact O-CB 3.26Å; A103-L107 WeakPolarHBondContact O-CB 3.38Å; A103-L107 PolarHBondContact O-N 3.27Å; C104-L107 PolarHBondContact O-N 2.71Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.26Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-L110 VanDerWaalsContact O-N 3.13Å; L107-L111 HydrophobicContact CD1-CD1 4.12Å; L107-L111 HydrophobicContact CD1-CG 4.23Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.45Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 PolarHBondContact O-N 2.99Å; L107-L123 HydrophobicContact CD1-CB 4.23Å; L107-F124 HydrophobicContact CD1-CB 4.23Å; L107-F124 HydrophobicContact CD2-CD2 4.02Å; L107-Y127 HydrophobicContact CD2-CD1 3.74Å; L107-Y127 HydrophobicContact CD2-CD2 4.23Å; L107-Y127 HydrophobicContact CD2-CG 3.57Å
108D96.7Very high94.8Very high97 Ų9765.4 Ų65.452%0.51935%0.353SS..Hα-helixtrans-60-43.2177.5-76.3-21.7000111.3C104 L110 L111 A112C104-D108 WeakPolarHBondContact O-CB 3.49Å; C104-D108 PolarHBondContact O-N 3.27Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 2.96Å; D108-L111 PolarHBondContact O-N 3.03Å; D108-A112 VanDerWaalsContact O-CB 3.25Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 3.19Å
109R95Very high94.8Very high85 Ų8565.6 Ų65.632%0.32134%0.337SS..Hα-helixtrans-64-37.6176-68.3171.3-176.1-114.510.9112I76 L87 E105 C106 L107I76-R109 VanDerWaalsContact CD1-CZ 3.49Å; I76-R109 VanDerWaalsContact CD1-NH1 3.32Å; L87-R109 HydrophobicContact CD1-CB 4.04Å; E105-R109 WeakPolarHBondContact O-CG 3.33Å; E105-R109 PolarHBondContact O-N 2.93Å; E105-R109 IonicContact OE1-CZ 3.08Å; E105-R109 VanDerWaalsContact OE1-CZ 3.3Å; E105-R109 IonicContact OE1-NE 2.62Å; E105-R109 PolarHBondContact OE1-NE 3.2Å; E105-R109 IonicContact OE1-NH2 2.94Å; E105-R109 PolarHBondContact OE1-NH2 2.9Å; C106-R109 PolarHBondContact O-N 2.85Å; L107-R109 VanDerWaalsContact C-N 3.31Å; L107-R109 PolarHBondContact O-N 3.26Å
110L95.5Very high94.7Very high0 Ų063.8 Ų63.80%033%0.327CS..Hα-helixtrans-69.5-46.5177.3-71164.7000111.5Y84 L87 E88 C106 L107 D108 K113 F114 V120 L123Y84-L110 HydrophobicContact CD1-CD2 4.08Å; L87-L110 HydrophobicContact CB-CD1 4.36Å; L87-L110 HydrophobicContact CB-CD2 4.09Å; L87-L110 HydrophobicContact CB-CG 4.18Å; E88-L110 HydrophobicContact CG-CD1 3.79Å; E88-L110 HydrophobicContact CG-CD2 3.79Å; E88-L110 HydrophobicContact CG-CG 4.48Å; C106-L110 VanDerWaalsContact O-CG 3.29Å; C106-L110 WeakPolarHBondContact O-CG 3.22Å; C106-L110 PolarHBondContact O-N 3.22Å; C106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-L110 VanDerWaalsContact O-N 3.13Å; D108-L110 VanDerWaalsContact C-N 3.33Å; D108-L110 PolarHBondContact O-N 2.96Å; L110-K113 PolarHBondContact O-N 3.4Å; L110-F114 PolarHBondContact O-N 3.12Å; L110-V120 HydrophobicContact CB-CG1 3.79Å; L110-V120 HydrophobicContact CB-CG2 4.24Å; L110-L123 HydrophobicContact CD1-CD1 3.99Å
111L96Very high94.7Very high39 Ų3962.8 Ų62.820%0.20432%0.322CS..Hα-helixtrans-66.4-36.8179.1-76.6169.6000112.5L107 D108 K113 F114 R115 V120 F124L107-L111 HydrophobicContact CD1-CD1 4.12Å; L107-L111 HydrophobicContact CD1-CG 4.23Å; L107-L111 HydrophobicContact CG-CD1 3.92Å; L107-L111 HydrophobicContact CG-CG 4.45Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 PolarHBondContact O-N 2.99Å; D108-L111 PolarHBondContact O-N 3.03Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.41Å; L111-F114 PolarHBondContact O-N 3.44Å; L111-R115 WeakPolarHBondContact O-CA 3.05Å; L111-R115 PolarHBondContact O-N 3.34Å; L111-R115 VanDerWaalsContact O-N 3.15Å; L111-V120 HydrophobicContact CD2-CG1 3.66Å; L111-V120 HydrophobicContact CG-CG1 3.87Å; L111-F124 HydrophobicContact CD1-CD2 3.98Å; L111-F124 HydrophobicContact CD1-CG 4.47Å
112A95.1Very high94.7Very high91 Ų9156.3 Ų56.375%0.75229%0.287SS*.Hα-helixtrans-60.4-36.317600000112.2D108D108-A112 VanDerWaalsContact O-CB 3.25Å; D108-A112 WeakPolarHBondContact O-CB 3.49Å; D108-A112 PolarHBondContact O-N 3.19Å
113K94.4Very high94.7Very high125 Ų12555.8 Ų55.854%0.54328%0.284SS..Hα-helixtrans-86.4-37.6178.6-176.462.5179172.20113.1Y84 L110 L111Y84-K113 HydrophobicContact CE1-CB 3.86Å; Y84-K113 HydrophobicContact CE1-CG 3.93Å; Y84-K113 HydrophobicContact CE2-CG 4.21Å; L110-K113 PolarHBondContact O-N 3.4Å; L111-K113 VanDerWaalsContact C-N 3.26Å; L111-K113 PolarHBondContact O-N 3.41Å
114F94.3Very high94.6Very high52 Ų5258.9 Ų58.923%0.22830%0.298CS..  trans-130.452.5-166.8-58.6-70.2000113Y84 L110 L111 N116 S117 V120 M451Y84-F114 HydrophobicContact CD1-CD2 4.46Å; Y84-F114 AromaticContact CD1-CE2 3.77Å; Y84-F114 HydrophobicContact CD1-CE2 3.77Å; Y84-F114 AromaticContact CD2-CE2 3.74Å; Y84-F114 HydrophobicContact CD2-CE2 3.74Å; Y84-F114 AromaticContact CD2-CZ 3.98Å; Y84-F114 HydrophobicContact CD2-CZ 3.98Å; Y84-F114 HydrophobicContact CE1-CE2 4.12Å; Y84-F114 HydrophobicContact CE2-CE2 4.1Å; Y84-F114 HydrophobicContact CE2-CZ 4.2Å; Y84-F114 AromaticContact CG-CE2 3.57Å; Y84-F114 HydrophobicContact CG-CE2 3.57Å; Y84-F114 HydrophobicContact CG-CZ 4.26Å; L110-F114 PolarHBondContact O-N 3.12Å; L111-F114 PolarHBondContact O-N 3.44Å; F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 3.12Å; F114-N116 VanDerWaalsContact O-N 3.12Å; F114-S117 WeakPolarHBondContact O-CB 3.36Å; F114-S117 PolarHBondContact O-N 3.23Å; F114-V120 HydrophobicContact CB-CB 4.45Å; F114-V120 HydrophobicContact CB-CG2 3.83Å; F114-V120 HydrophobicContact CD2-CG2 4.36Å; F114-V120 HydrophobicContact CG-CG2 4.48Å; F114-M451 HydrophobicContact CE1-SD 4.14Å; F114-M451 HydrophobicContact CZ-CE 4.16Å; F114-M451 HydrophobicContact CZ-SD 4.12Å
115R91.5Very high94.6Very high199 Ų19957.1 Ų57.175%0.75129%0.286SS*.THydrogen-bonded Turntrans-52.2-37.6-174.6-165.5176.8-170-161.22115L111 N121L111-R115 WeakPolarHBondContact O-CA 3.05Å; L111-R115 PolarHBondContact O-N 3.34Å; L111-R115 VanDerWaalsContact O-N 3.15Å; R115-N121 PolarHBondContact O-ND2 3.4Å
116N90.2Very high94.6Very high156 Ų15653.9 Ų53.983%0.83427%0.271SS*.THydrogen-bonded Turntrans-102.211.2-177.4-65.4-10.7000113.3F114 C118F114-N116 VanDerWaalsContact C-N 3.26Å; F114-N116 PolarHBondContact O-N 3.12Å; F114-N116 VanDerWaalsContact O-N 3.12Å; N116-C118 PolarHBondContact O-N 3.49Å
117S93Very high94.6Very high35 Ų3555.8 Ų55.825%0.24528%0.279CS..  trans-74.4127.3178.5172.70000110.6F114 R119 V120 N121F114-S117 WeakPolarHBondContact O-CB 3.36Å; F114-S117 PolarHBondContact O-N 3.23Å; S117-R119 PolarHBondContact O-N 2.94Å; S117-R119 PolarHBondContact OG-N 3.13Å; S117-V120 PolarHBondContact O-N 3.01Å; S117-V120 PolarHBondContact OG-N 2.82Å; S117-N121 WeakPolarHBondContact O-CB 3.37Å; S117-N121 PolarHBondContact O-N 3.31Å; S117-N121 PolarHBondContact O-ND2 2.98Å
118C91.6Very high94.6Very high74 Ų7456.5 Ų56.550%0.528%0.282SS..Hα-helixtrans-58.2-37.6174.3590000111.6N116 R122 L144N116-C118 PolarHBondContact O-N 3.49Å; C118-R122 WeakPolarHBondContact O-CB 3.44Å; C118-R122 PolarHBondContact O-N 3.05Å; C118-L144 HydrophobicContact CB-CD2 3.98Å
119R92.2Very high94.4Very high55 Ų5553.3 Ų53.321%0.20826%0.264CS..Hα-helixtrans-61.6-51.3177.3-176.7-178.6177.9107.21.8111.6E88 S117 R122 L123 D444E88-R119 IonicContact OE1-CZ 3.64Å; E88-R119 IonicContact OE1-NE 2.85Å; E88-R119 PolarHBondContact OE1-NE 3.44Å; E88-R119 IonicContact OE1-NH2 3.53Å; E88-R119 IonicContact OE2-CZ 3.92Å; E88-R119 IonicContact OE2-NE 2.69Å; E88-R119 PolarHBondContact OE2-NE 2.51Å; E88-R119 IonicContact OE2-NH2 3.99Å; E88-R119 PolarHBondContact OE2-NH2 2.96Å; S117-R119 PolarHBondContact O-N 2.94Å; S117-R119 PolarHBondContact OG-N 3.13Å; R119-R122 PolarHBondContact O-N 2.82Å; R119-L123 PolarHBondContact O-N 2.94Å; R119-D444 PolarHBondContact NH1-O 3.12Å; R119-D444 VanDerWaalsContact NH2-C 3.34Å; R119-D444 PolarHBondContact NH2-O 2.92Å
120V94.7Very high94.4Very high1 Ų152 Ų521%0.00627%0.268CS..Hα-helixtrans-71.3-36.6-179.5179.40000111.8L110 L111 F114 S117 R122 L123 F124L110-V120 HydrophobicContact CB-CG1 3.79Å; L110-V120 HydrophobicContact CB-CG2 4.24Å; L111-V120 HydrophobicContact CD2-CG1 3.66Å; L111-V120 HydrophobicContact CG-CG1 3.87Å; F114-V120 HydrophobicContact CB-CB 4.45Å; F114-V120 HydrophobicContact CB-CG2 3.83Å; F114-V120 HydrophobicContact CD2-CG2 4.36Å; F114-V120 HydrophobicContact CG-CG2 4.48Å; S117-V120 PolarHBondContact O-N 3.01Å; S117-V120 PolarHBondContact OG-N 2.82Å; V120-R122 VanDerWaalsContact C-N 3.26Å; V120-R122 PolarHBondContact O-N 3.1Å; V120-L123 WeakPolarHBondContact O-CB 3.46Å; V120-L123 PolarHBondContact O-N 3.01Å; V120-L123 VanDerWaalsContact O-N 3.12Å; V120-F124 PolarHBondContact O-N 3.1Å
121N95.5Very high94.3Very high40 Ų4055.9 Ų55.921%0.21429%0.285CS..Hα-helixtrans-64.3-32.3174.4-80.3-67.9000112.3R115 S117 F124 G125 V140 L144R115-N121 PolarHBondContact O-ND2 3.4Å; S117-N121 WeakPolarHBondContact O-CB 3.37Å; S117-N121 PolarHBondContact O-N 3.31Å; S117-N121 PolarHBondContact O-ND2 2.98Å; N121-F124 WeakPolarHBondContact O-CB 3.17Å; N121-F124 PolarHBondContact O-N 2.76Å; N121-G125 PolarHBondContact O-N 3.08Å; N121-V140 VanDerWaalsContact O-CG1 3.29Å; N121-V140 WeakPolarHBondContact O-CG1 3.4Å; N121-L144 HydrophobicContact CB-CD1 4.22Å; N121-L144 HydrophobicContact CB-CD2 3.96Å; N121-L144 HydrophobicContact CB-CG 4.49Å
122R95Very high94.1Very high4 Ų455.8 Ų55.82%0.01529%0.294CS..Hα-helixtrans-67.2-39172.1-170.817846.859.322111.6C118 R119 V120 F124 G125 M126 Y141 L144 D444C118-R122 WeakPolarHBondContact O-CB 3.44Å; C118-R122 PolarHBondContact O-N 3.05Å; R119-R122 PolarHBondContact O-N 2.82Å; V120-R122 VanDerWaalsContact C-N 3.26Å; V120-R122 PolarHBondContact O-N 3.1Å; R122-F124 VanDerWaalsContact C-N 3.32Å; R122-G125 PolarHBondContact O-N 3.26Å; R122-M126 WeakPolarHBondContact O-CG 3.42Å; R122-M126 PolarHBondContact O-N 2.94Å; R122-Y141 HydrophobicContact CB-CE1 4.46Å; R122-Y141 HydrophobicContact CG-CD1 4.46Å; R122-Y141 HydrophobicContact CG-CE1 3.82Å; R122-L144 HydrophobicContact CB-CD1 3.99Å; R122-D444 VanDerWaalsContact CZ-CG 3.4Å; R122-D444 IonicContact CZ-OD1 2.71Å; R122-D444 IonicContact CZ-OD2 3.74Å; R122-D444 IonicContact NE-OD1 3.01Å; R122-D444 IonicContact NH1-OD1 3.91Å; R122-D444 IonicContact NH1-OD2 3.63Å; R122-D444 PolarHBondContact NH1-OD2 3.11Å; R122-D444 IonicContact NH2-OD1 3.21Å; R122-D444 PolarHBondContact NH2-OD1 2.96Å; R122-D444 IonicContact NH2-OD2 3.3Å; R122-D444 PolarHBondContact NH2-OD2 3.2Å
123L95.7Very high94.1Very high0 Ų055.1 Ų55.10%028%0.278CS..Hα-helixtrans-62.9-38.9172-61.5177.4000111.8E88 F91 L107 L110 R119 V120 G125 M126 Y127E88-L123 HydrophobicContact CB-CD1 4.19Å; E88-L123 HydrophobicContact CG-CD1 3.61Å; F91-L123 HydrophobicContact CD1-CB 4.17Å; F91-L123 HydrophobicContact CD1-CD1 4.31Å; F91-L123 HydrophobicContact CD1-CD2 3.89Å; F91-L123 HydrophobicContact CD1-CG 4.34Å; F91-L123 HydrophobicContact CE1-CB 3.64Å; F91-L123 HydrophobicContact CE1-CD2 3.78Å; F91-L123 HydrophobicContact CE1-CG 4.18Å; F91-L123 HydrophobicContact CZ-CB 4.18Å; F91-L123 VanDerWaalsContact CZ-O 3.26Å; F91-L123 WeakPolarHBondContact CZ-O 3.28Å; L107-L123 HydrophobicContact CD1-CB 4.23Å; L110-L123 HydrophobicContact CD1-CD1 3.99Å; R119-L123 PolarHBondContact O-N 2.94Å; V120-L123 WeakPolarHBondContact O-CB 3.46Å; V120-L123 PolarHBondContact O-N 3.01Å; V120-L123 VanDerWaalsContact O-N 3.12Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.26Å; L123-M126 HydrophobicContact CD2-SD 4.02Å; L123-M126 WeakPolarHBondContact O-CB 3.42Å; L123-M126 PolarHBondContact O-N 3.14Å; L123-M126 VanDerWaalsContact O-N 3.16Å; L123-Y127 PolarHBondContact O-N 3.22Å
124F96.4Very high94.1Very high66 Ų6652 Ų5229%0.28926%0.264SS..Hα-helixtrans-60.7-42.5172177.9-111.3000112L107 L111 V120 N121 R122 M126 Y127 L128 V140L107-F124 HydrophobicContact CD1-CB 4.23Å; L107-F124 HydrophobicContact CD2-CD2 4.02Å; L111-F124 HydrophobicContact CD1-CD2 3.98Å; L111-F124 HydrophobicContact CD1-CG 4.47Å; V120-F124 PolarHBondContact O-N 3.1Å; N121-F124 WeakPolarHBondContact O-CB 3.17Å; N121-F124 PolarHBondContact O-N 2.76Å; R122-F124 VanDerWaalsContact C-N 3.32Å; F124-M126 VanDerWaalsContact C-N 3.34Å; F124-M126 PolarHBondContact O-N 3.16Å; F124-Y127 PolarHBondContact O-N 2.86Å; F124-L128 HydrophobicContact CD1-CD1 4.06Å; F124-L128 HydrophobicContact CE1-CD1 3.61Å; F124-L128 HydrophobicContact CE1-CG 4.39Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.34Å; F124-L128 HydrophobicContact CZ-CG 4.24Å; F124-L128 WeakPolarHBondContact O-CG 3.28Å; F124-L128 PolarHBondContact O-N 2.9Å; F124-V140 HydrophobicContact CD1-CG1 4.4Å; F124-V140 HydrophobicContact CD1-CG2 3.85Å; F124-V140 HydrophobicContact CE1-CG2 3.86Å
125G95.7Very high94.1Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-57.6-43.4170.800000113N121 R122 L123 Y127 L128 E129N121-G125 PolarHBondContact O-N 3.08Å; R122-G125 PolarHBondContact O-N 3.26Å; L123-G125 VanDerWaalsContact C-N 3.34Å; L123-G125 PolarHBondContact O-N 3.26Å; G125-Y127 VanDerWaalsContact C-N 3.32Å; G125-Y127 PolarHBondContact O-N 3.24Å; G125-L128 WeakPolarHBondContact O-CB 3.09Å; G125-L128 PolarHBondContact O-N 3Å; G125-L128 VanDerWaalsContact O-N 3.16Å; G125-E129 WeakPolarHBondContact O-CG 3.29Å; G125-E129 PolarHBondContact O-N 3.28Å
126M95.5Very high94.4Very high10 Ų1050.7 Ų50.75%0.04927%0.27CS..Hα-helixtrans-65.3-34.8178.2-69.8172.256.400112.5L95 R122 L123 F124 E129 S130 Y141 R157 I441L95-M126 HydrophobicContact CD1-CB 4.03Å; L95-M126 HydrophobicContact CD1-CE 4.23Å; R122-M126 WeakPolarHBondContact O-CG 3.42Å; R122-M126 PolarHBondContact O-N 2.94Å; L123-M126 HydrophobicContact CD2-SD 4.02Å; L123-M126 WeakPolarHBondContact O-CB 3.42Å; L123-M126 PolarHBondContact O-N 3.14Å; L123-M126 VanDerWaalsContact O-N 3.16Å; F124-M126 VanDerWaalsContact C-N 3.34Å; F124-M126 PolarHBondContact O-N 3.16Å; M126-E129 WeakPolarHBondContact O-CB 3.5Å; M126-E129 PolarHBondContact O-N 3.39Å; M126-S130 PolarHBondContact O-N 3.36Å; M126-Y141 PolarHBondContact N-OH 3.39Å; M126-R157 VanDerWaalsContact CE-NH2 3.34Å; M126-I441 HydrophobicContact CE-CG1 4.29Å
127Y96.2Very high94.6Very high40 Ų4043.3 Ų43.316%0.15723%0.23CC..Hα-helixtrans-66.3-40.7172.4179.7-105.9000111.7F91 L95 A103 C104 L107 L123 F124 G125 E129 S130 K131F91-Y127 HydrophobicContact CE2-CD2 4.38Å; L95-Y127 HydrophobicContact CD2-CD2 4.09Å; A103-Y127 HydrophobicContact CB-CD2 4.34Å; A103-Y127 HydrophobicContact CB-CE2 4.39Å; C104-Y127 HydrophobicContact CB-CE2 4.31Å; L107-Y127 HydrophobicContact CD2-CD1 3.74Å; L107-Y127 HydrophobicContact CD2-CD2 4.23Å; L107-Y127 HydrophobicContact CD2-CG 3.57Å; L123-Y127 PolarHBondContact O-N 3.22Å; F124-Y127 PolarHBondContact O-N 2.86Å; G125-Y127 VanDerWaalsContact C-N 3.32Å; G125-Y127 PolarHBondContact O-N 3.24Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.35Å; Y127-S130 PolarHBondContact O-N 2.88Å; Y127-S130 PolarHBondContact O-OG 3.37Å; Y127-K131 HydrophobicContact CE1-CG 4.31Å; Y127-K131 VanDerWaalsContact CZ-CE 3.4Å; Y127-K131 WeakPolarHBondContact O-CG 3.4Å; Y127-K131 PolarHBondContact O-N 3.42Å; Y127-K131 VanDerWaalsContact O-N 3.13Å; Y127-K131 WeakPolarHBondContact OH-CE 3.28Å
128L96.2Very high94.8Very high18 Ų1844 Ų449%0.09423%0.23CC..Hα-helixtrans-63.8-38.1174.1-67.9169.4000111.9F124 G125 K131 G132 N133 D136 A137 V140F124-L128 HydrophobicContact CD1-CD1 4.06Å; F124-L128 HydrophobicContact CE1-CD1 3.61Å; F124-L128 HydrophobicContact CE1-CG 4.39Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.34Å; F124-L128 HydrophobicContact CZ-CG 4.24Å; F124-L128 WeakPolarHBondContact O-CG 3.28Å; F124-L128 PolarHBondContact O-N 2.9Å; G125-L128 WeakPolarHBondContact O-CB 3.09Å; G125-L128 PolarHBondContact O-N 3Å; G125-L128 VanDerWaalsContact O-N 3.16Å; L128-K131 PolarHBondContact O-N 2.92Å; L128-G132 PolarHBondContact O-N 3.45Å; L128-N133 HydrophobicContact CB-CB 4.38Å; L128-N133 HydrophobicContact CD2-CB 4.25Å; L128-N133 PolarHBondContact O-N 2.95Å; L128-D136 HydrophobicContact CD1-CB 3.86Å; L128-D136 HydrophobicContact CD2-CB 4.25Å; L128-A137 HydrophobicContact CB-CB 3.84Å; L128-V140 HydrophobicContact CD1-CG2 3.95Å
129E93.8Very high95Very high29 Ų2945.4 Ų45.414%0.13623%0.232CC..Hα-helixtrans-58.5-46.7171.7-71.7173.5-152.100112G125 M126 Y127 K131 G132 A137 Y141 R157 I161G125-E129 WeakPolarHBondContact O-CG 3.29Å; G125-E129 PolarHBondContact O-N 3.28Å; M126-E129 WeakPolarHBondContact O-CB 3.5Å; M126-E129 PolarHBondContact O-N 3.39Å; Y127-E129 VanDerWaalsContact C-N 3.32Å; Y127-E129 PolarHBondContact O-N 3.35Å; E129-K131 PolarHBondContact O-N 3.44Å; E129-G132 PolarHBondContact O-N 3.25Å; E129-A137 HydrophobicContact CG-CB 3.98Å; E129-Y141 HydrophobicContact CG-CE2 4.4Å; E129-Y141 WeakPolarHBondContact OE1-CE2 3.39Å; E129-Y141 PolarHBondContact OE1-OH 2.99Å; E129-R157 WeakPolarHBondContact OE1-CD 3.48Å; E129-R157 IonicContact OE2-NH1 2.74Å; E129-I161 HydrophobicContact CG-CD1 3.85Å; E129-I161 HydrophobicContact CG-CG1 3.85Å
130S93.3Very high95.2Very high58 Ų5844 Ų4441%0.40623%0.229SC..Hα-helixtrans-64.7-29.8-179.176.90000112.3L95 M126 Y127 G132L95-S130 WeakPolarHBondContact CD2-OG 3.5Å; M126-S130 PolarHBondContact O-N 3.36Å; Y127-S130 PolarHBondContact O-N 2.88Å; Y127-S130 PolarHBondContact O-OG 3.37Å; S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 2.99Å
131K93.8Very high95.3Very high81 Ų8143.9 Ų43.935%0.35223%0.229SC..THydrogen-bonded Turntrans-77.3-7.3172.5-62.4-57.6-179177.30114.2D100 Y127 L128 E129 N133D100-K131 VanDerWaalsContact CB-NZ 3.31Å; D100-K131 IonicContact OD1-NZ 3.2Å; D100-K131 PolarHBondContact OD1-NZ 3.12Å; D100-K131 IonicContact OD2-NZ 4Å; D100-K131 PolarHBondContact OD2-NZ 3.04Å; Y127-K131 HydrophobicContact CE1-CG 4.31Å; Y127-K131 VanDerWaalsContact CZ-CE 3.4Å; Y127-K131 WeakPolarHBondContact O-CG 3.4Å; Y127-K131 PolarHBondContact O-N 3.42Å; Y127-K131 VanDerWaalsContact O-N 3.13Å; Y127-K131 WeakPolarHBondContact OH-CE 3.28Å; L128-K131 PolarHBondContact O-N 2.92Å; E129-K131 PolarHBondContact O-N 3.44Å; K131-N133 VanDerWaalsContact C-N 3.26Å
132G92Very high95.3Very high38 Ų3845 Ų4539%0.39224%0.24SC..THydrogen-bonded Turntrans78.47.3-175.100000114.1L128 E129 S130 F134L128-G132 PolarHBondContact O-N 3.45Å; E129-G132 PolarHBondContact O-N 3.25Å; S130-G132 VanDerWaalsContact C-N 3.26Å; S130-G132 PolarHBondContact O-N 2.99Å; G132-F134 WeakPolarHBondContact O-CD2 3.31Å; G132-F134 PolarHBondContact O-N 3.39Å
133N95.1Very high95.3Very high77 Ų7751.4 Ų51.441%0.41227%0.268SS..  trans-81.864.6177.4-72.519000110.3L128 K131 E135 D136 A137L128-N133 HydrophobicContact CB-CB 4.38Å; L128-N133 HydrophobicContact CD2-CB 4.25Å; L128-N133 PolarHBondContact O-N 2.95Å; K131-N133 VanDerWaalsContact C-N 3.26Å; N133-E135 VanDerWaalsContact C-N 3.32Å; N133-E135 PolarHBondContact O-N 3.04Å; N133-D136 HydrophobicContact CB-CB 4.35Å; N133-D136 PolarHBondContact ND2-OD2 3.38Å; N133-D136 PolarHBondContact O-N 3.2Å; N133-A137 PolarHBondContact O-N 3.44Å
134F94.6Very high95.3Very high58 Ų5852 Ų5225%0.25427%0.271SS..Hα-helixtrans-64-33.9-173.5-61.5-58000113.8G132 A137 Q138 I161 A164 Q165G132-F134 WeakPolarHBondContact O-CD2 3.31Å; G132-F134 PolarHBondContact O-N 3.39Å; F134-A137 PolarHBondContact O-N 3.25Å; F134-Q138 WeakPolarHBondContact O-CB 3.09Å; F134-Q138 WeakPolarHBondContact O-CG 3.39Å; F134-Q138 PolarHBondContact O-N 3.37Å; F134-I161 HydrophobicContact CB-CG2 3.89Å; F134-I161 HydrophobicContact CD1-CG1 4.31Å; F134-I161 HydrophobicContact CD1-CG2 3.89Å; F134-I161 HydrophobicContact CG-CG2 4.12Å; F134-A164 HydrophobicContact CE1-CB 4.26Å; F134-A164 HydrophobicContact CZ-CB 4.35Å; F134-Q165 HydrophobicContact CD2-CG 4.03Å; F134-Q165 HydrophobicContact CE2-CG 4.41Å; F134-Q165 HydrophobicContact CG-CG 4.27Å
135E95.1Very high95.2Very high149 Ų14949.9 Ų49.970%0.69626%0.263SS*.Hα-helixtrans-68.2-44.2-179.2-166.8166.3-16800111.2N133 Q138 N139N133-E135 VanDerWaalsContact C-N 3.32Å; N133-E135 PolarHBondContact O-N 3.04Å; E135-Q138 PolarHBondContact O-N 3.18Å; E135-N139 PolarHBondContact O-N 3.07Å; E135-N139 PolarHBondContact O-ND2 3.31Å
136D96.5Very high95.2Very high76 Ų7658.2 Ų58.241%0.40630%0.299SS..Hα-helixtrans-63.6-42.9173.5-64-32.1000111.3L128 N133 Q138 N139 V140L128-D136 HydrophobicContact CD1-CB 3.86Å; L128-D136 HydrophobicContact CD2-CB 4.25Å; N133-D136 HydrophobicContact CB-CB 4.35Å; N133-D136 PolarHBondContact ND2-OD2 3.38Å; N133-D136 PolarHBondContact O-N 3.2Å; D136-Q138 VanDerWaalsContact C-N 3.34Å; D136-Q138 PolarHBondContact O-N 3.1Å; D136-N139 WeakPolarHBondContact O-CB 3.48Å; D136-N139 PolarHBondContact O-N 3.39Å; D136-V140 WeakPolarHBondContact O-CG2 3.18Å; D136-V140 PolarHBondContact O-N 3.37Å
137A95.8Very high95.1Very high0 Ų063.1 Ų63.10%033%0.325CS..Hα-helixtrans-60.5-43.6176.200000111.6L128 E129 N133 F134 N139 V140 Y141 I161L128-A137 HydrophobicContact CB-CB 3.84Å; E129-A137 HydrophobicContact CG-CB 3.98Å; N133-A137 PolarHBondContact O-N 3.44Å; F134-A137 PolarHBondContact O-N 3.25Å; A137-N139 VanDerWaalsContact C-N 3.33Å; A137-N139 PolarHBondContact O-N 2.94Å; A137-V140 WeakPolarHBondContact O-CB 3.4Å; A137-V140 PolarHBondContact O-N 3.04Å; A137-Y141 HydrophobicContact CB-CE2 4.11Å; A137-Y141 WeakPolarHBondContact O-CD2 3.33Å; A137-Y141 PolarHBondContact O-N 3.26Å; A137-I161 HydrophobicContact CB-CD1 3.75Å
138Q95.8Very high95Very high50 Ų5064.3 Ų64.323%0.23433%0.334CS..Hα-helixtrans-60.7-40.8175.5-77.7174.32.300112.1F134 E135 D136 V140 Y141 S142 I161F134-Q138 WeakPolarHBondContact O-CB 3.09Å; F134-Q138 WeakPolarHBondContact O-CG 3.39Å; F134-Q138 PolarHBondContact O-N 3.37Å; E135-Q138 PolarHBondContact O-N 3.18Å; D136-Q138 VanDerWaalsContact C-N 3.34Å; D136-Q138 PolarHBondContact O-N 3.1Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.48Å; Q138-Y141 PolarHBondContact O-N 2.93Å; Q138-S142 WeakPolarHBondContact O-CB 3.45Å; Q138-S142 PolarHBondContact O-N 2.85Å; Q138-I161 HydrophobicContact CG-CD1 4.03Å; Q138-I161 HydrophobicContact CG-CG2 4.12Å; Q138-I161 VanDerWaalsContact NE2-CG2 3.29Å
139N96.9Very high94.7Very high103 Ų10367.1 Ų67.155%0.55135%0.353SS*.Hα-helixtrans-62.2-42175.8-70.8-33.9000111.7E135 D136 A137 K143E135-N139 PolarHBondContact O-N 3.07Å; E135-N139 PolarHBondContact O-ND2 3.31Å; D136-N139 WeakPolarHBondContact O-CB 3.48Å; D136-N139 PolarHBondContact O-N 3.39Å; A137-N139 VanDerWaalsContact C-N 3.33Å; A137-N139 PolarHBondContact O-N 2.94Å; N139-K143 PolarHBondContact O-N 3.42Å; N139-K143 VanDerWaalsContact O-N 3.12Å
140V95.7Very high94.6Very high25 Ų2570.2 Ų70.215%0.15238%0.375CS..Hα-helixtrans-61.4-49.8175.6173.80000110.8N121 F124 L128 D136 A137 Q138 K143 L144N121-V140 VanDerWaalsContact O-CG1 3.29Å; N121-V140 WeakPolarHBondContact O-CG1 3.4Å; F124-V140 HydrophobicContact CD1-CG1 4.4Å; F124-V140 HydrophobicContact CD1-CG2 3.85Å; F124-V140 HydrophobicContact CE1-CG2 3.86Å; L128-V140 HydrophobicContact CD1-CG2 3.95Å; D136-V140 WeakPolarHBondContact O-CG2 3.18Å; D136-V140 PolarHBondContact O-N 3.37Å; A137-V140 WeakPolarHBondContact O-CB 3.4Å; A137-V140 PolarHBondContact O-N 3.04Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.48Å; V140-K143 PolarHBondContact O-N 2.89Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 2.94Å; V140-L144 VanDerWaalsContact O-N 3.1Å
141Y96Very high94.5Very high0 Ų068.3 Ų68.30%036%0.36CS..Hα-helixtrans-69-37.3-179.6-60.3-48.3000113.5R122 M126 E129 A137 Q138 K143 L144 I145 A154 R157 M158 I161R122-Y141 HydrophobicContact CB-CE1 4.46Å; R122-Y141 HydrophobicContact CG-CD1 4.46Å; R122-Y141 HydrophobicContact CG-CE1 3.82Å; M126-Y141 PolarHBondContact N-OH 3.39Å; E129-Y141 HydrophobicContact CG-CE2 4.4Å; E129-Y141 WeakPolarHBondContact OE1-CE2 3.39Å; E129-Y141 PolarHBondContact OE1-OH 2.99Å; A137-Y141 HydrophobicContact CB-CE2 4.11Å; A137-Y141 WeakPolarHBondContact O-CD2 3.33Å; A137-Y141 PolarHBondContact O-N 3.26Å; Q138-Y141 PolarHBondContact O-N 2.93Å; Y141-K143 VanDerWaalsContact C-N 3.27Å; Y141-K143 PolarHBondContact O-N 3.38Å; Y141-L144 HydrophobicContact CD1-CD1 4.17Å; Y141-L144 PolarHBondContact O-N 3.13Å; Y141-L144 VanDerWaalsContact O-N 3.12Å; Y141-I145 WeakPolarHBondContact O-CD1 3.18Å; Y141-I145 VanDerWaalsContact O-CG1 3.3Å; Y141-I145 WeakPolarHBondContact O-CG1 3.34Å; Y141-I145 PolarHBondContact O-N 3.39Å; Y141-A154 HydrophobicContact CD1-CB 4.39Å; Y141-R157 HydrophobicContact CD1-CB 4.22Å; Y141-R157 HydrophobicContact CD2-CB 4.01Å; Y141-R157 HydrophobicContact CE1-CB 3.9Å; Y141-R157 HydrophobicContact CE1-CG 4.06Å; Y141-R157 HydrophobicContact CE2-CB 3.64Å; Y141-R157 HydrophobicContact CE2-CG 4.4Å; Y141-R157 HydrophobicContact CG-CB 4.28Å; Y141-M158 HydrophobicContact CD2-CG 4.28Å; Y141-M158 HydrophobicContact CG-CG 4.3Å; Y141-I161 HydrophobicContact CD2-CD1 3.86Å; Y141-I161 HydrophobicContact CE2-CD1 3.66Å
142S95.9Very high94.4Very high64 Ų6466.6 Ų66.645%0.44836%0.356SS..Hα-helixtrans-59.6-41.4175.8175.70000111Q138 I145 K146Q138-S142 WeakPolarHBondContact O-CB 3.45Å; Q138-S142 PolarHBondContact O-N 2.85Å; S142-I145 PolarHBondContact O-N 3.07Å; S142-K146 WeakPolarHBondContact O-CB 3.43Å; S142-K146 PolarHBondContact O-N 3.23Å
143K96.1Very high94.4Very high138 Ų13866.2 Ų66.260%0.635%0.345SS*.Hα-helixtrans-61.8-47.9172.8-173.6-179.1176.4-174.30111.5N139 V140 Y141 I145 K146 D147N139-K143 PolarHBondContact O-N 3.42Å; N139-K143 VanDerWaalsContact O-N 3.12Å; V140-K143 PolarHBondContact O-N 2.89Å; Y141-K143 VanDerWaalsContact C-N 3.27Å; Y141-K143 PolarHBondContact O-N 3.38Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 PolarHBondContact O-N 3.41Å; K143-K146 PolarHBondContact O-N 2.85Å; K143-K146 VanDerWaalsContact O-N 3.17Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.05Å
144L94.7Very high94.3Very high13 Ų1362.6 Ų62.67%0.06833%0.326CS..Hα-helixtrans-59.6-39.3178.8-69.1175.7000113.2C118 N121 R122 V140 Y141 D148 A154C118-L144 HydrophobicContact CB-CD2 3.98Å; N121-L144 HydrophobicContact CB-CD1 4.22Å; N121-L144 HydrophobicContact CB-CD2 3.96Å; N121-L144 HydrophobicContact CB-CG 4.49Å; R122-L144 HydrophobicContact CB-CD1 3.99Å; V140-L144 HydrophobicContact CG1-CD1 4.34Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 2.94Å; V140-L144 VanDerWaalsContact O-N 3.1Å; Y141-L144 HydrophobicContact CD1-CD1 4.17Å; Y141-L144 PolarHBondContact O-N 3.13Å; Y141-L144 VanDerWaalsContact O-N 3.12Å; L144-D148 PolarHBondContact O-N 3.45Å; L144-A154 HydrophobicContact CB-CB 4.09Å
145I94.7Very high94.3Very high21 Ų2162.7 Ų62.711%0.10832%0.324CS..Hα-helixtrans-73.9-32.3178.4-67.1160.5000111.5Y141 S142 K143 D148 P149 A154 R155 M158Y141-I145 WeakPolarHBondContact O-CD1 3.18Å; Y141-I145 VanDerWaalsContact O-CG1 3.3Å; Y141-I145 WeakPolarHBondContact O-CG1 3.34Å; Y141-I145 PolarHBondContact O-N 3.39Å; S142-I145 PolarHBondContact O-N 3.07Å; K143-I145 VanDerWaalsContact C-N 3.31Å; K143-I145 PolarHBondContact O-N 3.41Å; I145-D148 CarbonylContact O-C 3.56Å; I145-P149 VanDerWaalsContact O-CA 3.25Å; I145-P149 WeakPolarHBondContact O-CA 3.38Å; I145-P149 VanDerWaalsContact O-N 3.11Å; I145-A154 HydrophobicContact CD1-CB 4.25Å; I145-A154 HydrophobicContact CG1-CB 3.75Å; I145-R155 HydrophobicContact CD1-CB 4.46Å; I145-R155 HydrophobicContact CD1-CG 3.78Å; I145-R155 HydrophobicContact CG1-CG 3.89Å; I145-R155 HydrophobicContact CG2-CG 4.35Å; I145-M158 HydrophobicContact CD1-CG 4Å; I145-M158 HydrophobicContact CD1-SD 3.21Å; I145-M158 WeakPolarHBondContact CD1-SD 3.37Å
146K95.4Very high94.4Very high174 Ų17455.9 Ų55.976%0.75729%0.292SS*.Hα-helixtrans-67.9-41.8174.2-174.9-179.2177.6-176.70111.2S142 K143S142-K146 WeakPolarHBondContact O-CB 3.43Å; S142-K146 PolarHBondContact O-N 3.23Å; K143-K146 PolarHBondContact O-N 2.85Å; K143-K146 VanDerWaalsContact O-N 3.17Å
147D94.6Very high94.3Very high114 Ų11452.9 Ų52.961%0.6128%0.275SS*.Hα-helixtrans-70.1-39.5178.7-65.2-15000111.1K143K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 3.05Å
148D92.6Very high94.2Very high65 Ų6555.8 Ų55.835%0.34829%0.29SS..  trans-135.999.7172.9175.714000111.7L144 I145 T150 N151L144-D148 PolarHBondContact O-N 3.45Å; I145-D148 CarbonylContact O-C 3.56Å; D148-T150 PolarHBondContact O-N 2.71Å; D148-T150 VanDerWaalsContact O-N 3.11Å; D148-T150 WeakPolarHBondContact OD1-CA 3.2Å; D148-T150 WeakPolarHBondContact OD1-CB 3.48Å; D148-T150 PolarHBondContact OD1-N 3.25Å; D148-T150 PolarHBondContact OD1-OG1 3.08Å; D148-N151 HydrophobicContact CB-CB 4.22Å; D148-N151 VanDerWaalsContact O-CB 3.27Å; D148-N151 WeakPolarHBondContact O-CB 3.37Å; D148-N151 PolarHBondContact O-N 3.08Å; D148-N151 VanDerWaalsContact O-N 3.12Å
149P91.2Very high94.2Very high76 Ų7653.6 Ų53.649%0.49428%0.28SS..THydrogen-bonded Turntrans-61.7-19178.1-26.335.9000114.7I145 R155I145-P149 VanDerWaalsContact O-CA 3.25Å; I145-P149 WeakPolarHBondContact O-CA 3.38Å; I145-P149 VanDerWaalsContact O-N 3.11Å; P149-R155 PolarHBondContact O-NE 2.98Å; P149-R155 PolarHBondContact O-NH2 3.2Å
150T91.5Very high94.1Very high95 Ų9549.1 Ų49.158%0.58326%0.256SS*.THydrogen-bonded Turntrans-89.2-2.5-179.671.40000113.5D148 T152D148-T150 PolarHBondContact O-N 2.71Å; D148-T150 VanDerWaalsContact O-N 3.11Å; D148-T150 WeakPolarHBondContact OD1-CA 3.2Å; D148-T150 WeakPolarHBondContact OD1-CB 3.48Å; D148-T150 PolarHBondContact OD1-N 3.25Å; D148-T150 PolarHBondContact OD1-OG1 3.08Å; T150-T152 VanDerWaalsContact C-N 3.34Å; T150-T152 PolarHBondContact O-N 2.95Å
151N90.5Very high94Very high18 Ų1848 Ų4810%0.09625%0.249CC..  trans-68.587.4177.4-169.4-26.1000111.6D148 L153 A154 R155D148-N151 HydrophobicContact CB-CB 4.22Å; D148-N151 VanDerWaalsContact O-CB 3.27Å; D148-N151 WeakPolarHBondContact O-CB 3.37Å; D148-N151 PolarHBondContact O-N 3.08Å; D148-N151 VanDerWaalsContact O-N 3.12Å; N151-L153 VanDerWaalsContact C-N 3.29Å; N151-L153 PolarHBondContact O-N 3.1Å; N151-L153 PolarHBondContact OD1-N 2.93Å; N151-A154 HydrophobicContact CB-CB 4.29Å; N151-A154 PolarHBondContact O-N 3.46Å; N151-A154 PolarHBondContact OD1-N 3.2Å; N151-R155 PolarHBondContact O-N 3.04Å
152T92.6Very high94Very high45 Ų4549.2 Ų49.228%0.27626%0.255SS..Hα-helixtrans-61.4-37.9-179.7530000112.1T150 A154 R155 K156 Y178 F182T150-T152 VanDerWaalsContact C-N 3.34Å; T150-T152 PolarHBondContact O-N 2.95Å; T152-A154 PolarHBondContact O-N 3.45Å; T152-R155 PolarHBondContact O-N 3.48Å; T152-K156 WeakPolarHBondContact O-CG 3.47Å; T152-K156 PolarHBondContact O-N 3.27Å; T152-Y178 VanDerWaalsContact CB-OH 3.3Å; T152-Y178 WeakPolarHBondContact CB-OH 3.4Å; T152-Y178 HydrophobicContact CG2-CE2 4.26Å; T152-Y178 WeakPolarHBondContact CG2-OH 3.5Å; T152-F182 HydrophobicContact CG2-CD1 3.53Å; T152-F182 HydrophobicContact CG2-CD2 4.24Å; T152-F182 HydrophobicContact CG2-CE1 3.48Å; T152-F182 VanDerWaalsContact CG2-CE1 3.48Å; T152-F182 HydrophobicContact CG2-CE2 4.2Å; T152-F182 HydrophobicContact CG2-CG 3.92Å; T152-F182 HydrophobicContact CG2-CZ 3.83Å
153L91.9Very high94Very high30 Ų3047 Ų4716%0.15724%0.238CC..Hα-helixtrans-63.6-44.7-178.3-60174.8000111.8N151 K156 R157 V440 D444N151-L153 VanDerWaalsContact C-N 3.29Å; N151-L153 PolarHBondContact O-N 3.1Å; N151-L153 PolarHBondContact OD1-N 2.93Å; L153-K156 PolarHBondContact O-N 2.89Å; L153-R157 WeakPolarHBondContact O-CG 3.03Å; L153-R157 PolarHBondContact O-N 2.89Å; L153-V440 HydrophobicContact CB-CG1 4.28Å; L153-V440 HydrophobicContact CD2-CB 4.45Å; L153-V440 HydrophobicContact CD2-CG1 4.07Å; L153-D444 VanDerWaalsContact CD1-OD1 3.3Å; L153-D444 WeakPolarHBondContact CD1-OD1 3.41Å
154A92.9Very high93.8Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-64.9-39.517600000111.9Y141 L144 I145 N151 T152 R157 M158Y141-A154 HydrophobicContact CD1-CB 4.39Å; L144-A154 HydrophobicContact CB-CB 4.09Å; I145-A154 HydrophobicContact CD1-CB 4.25Å; I145-A154 HydrophobicContact CG1-CB 3.75Å; N151-A154 HydrophobicContact CB-CB 4.29Å; N151-A154 PolarHBondContact O-N 3.46Å; N151-A154 PolarHBondContact OD1-N 3.2Å; T152-A154 PolarHBondContact O-N 3.45Å; A154-R157 PolarHBondContact O-N 3.4Å; A154-M158 PolarHBondContact O-N 3.05Å; A154-M158 VanDerWaalsContact O-N 3.09Å
155R94.7Very high93.7Very high61 Ų6144.7 Ų44.723%0.2324%0.238CC..Hα-helixtrans-63.8-46.5175.3-71.1-178.9177.6-81.40.5112.3I145 P149 N151 T152 R157 M158 I159 Y178I145-R155 HydrophobicContact CD1-CB 4.46Å; I145-R155 HydrophobicContact CD1-CG 3.78Å; I145-R155 HydrophobicContact CG1-CG 3.89Å; I145-R155 HydrophobicContact CG2-CG 4.35Å; P149-R155 PolarHBondContact O-NE 2.98Å; P149-R155 PolarHBondContact O-NH2 3.2Å; N151-R155 PolarHBondContact O-N 3.04Å; T152-R155 PolarHBondContact O-N 3.48Å; R155-R157 VanDerWaalsContact C-N 3.27Å; R155-R157 PolarHBondContact O-N 3.36Å; R155-M158 PolarHBondContact O-N 3.17Å; R155-I159 WeakPolarHBondContact O-CG1 3.35Å; R155-I159 PolarHBondContact O-N 3.4Å; R155-I159 VanDerWaalsContact O-N 3.09Å; R155-Y178 HydrophobicContact CB-CD2 3.84Å; R155-Y178 HydrophobicContact CB-CE2 3.91Å
156K95.6Very high93.6Very high6 Ų650.7 Ų50.73%0.02627%0.265CS..Hα-helixtrans-59.6-37175.8-71.4-170.4170.9177.90111.8T152 L153 I159 T160 Y178 D185 E187 F436 V440T152-K156 WeakPolarHBondContact O-CG 3.47Å; T152-K156 PolarHBondContact O-N 3.27Å; L153-K156 PolarHBondContact O-N 2.89Å; K156-I159 PolarHBondContact O-N 2.93Å; K156-T160 WeakPolarHBondContact O-CB 3.33Å; K156-T160 PolarHBondContact O-N 3.48Å; K156-T160 PolarHBondContact O-OG1 3.31Å; K156-Y178 WeakPolarHBondContact CE-OH 3.38Å; K156-Y178 HydrophobicContact CG-CE2 4.48Å; K156-D185 WeakPolarHBondContact CE-OD2 3.37Å; K156-D185 IonicContact NZ-OD1 2.67Å; K156-D185 PolarHBondContact NZ-OD1 2.92Å; K156-D185 IonicContact NZ-OD2 2.98Å; K156-D185 PolarHBondContact NZ-OD2 3.26Å; K156-E187 IonicContact NZ-OE2 2.89Å; K156-E187 PolarHBondContact NZ-OE2 3.17Å; K156-F436 HydrophobicContact CB-CE1 3.94Å; K156-F436 HydrophobicContact CB-CE2 4.25Å; K156-F436 HydrophobicContact CB-CZ 3.64Å; K156-F436 HydrophobicContact CD-CD2 4.23Å; K156-F436 HydrophobicContact CD-CE2 3.73Å; K156-F436 HydrophobicContact CD-CZ 4.02Å; K156-F436 HydrophobicContact CG-CE1 4.25Å; K156-F436 HydrophobicContact CG-CE2 3.65Å; K156-F436 HydrophobicContact CG-CZ 3.47Å; K156-F436 VanDerWaalsContact CG-CZ 3.47Å; K156-F436 WeakPolarHBondContact O-CE1 3.25Å; K156-V440 HydrophobicContact CB-CG2 3.46Å; K156-V440 VanDerWaalsContact CB-CG2 3.46Å; K156-V440 HydrophobicContact CD-CG2 3.6Å; K156-V440 HydrophobicContact CG-CG2 4.16Å
157R94.4Very high93.7Very high13 Ų1346.5 Ų46.55%0.04925%0.247CC..Hα-helixtrans-63.8-44.9173.7-72.5-69.2171.2-164.7-10.9112.6M126 E129 Y141 L153 A154 R155 I159 T160 I161 V440 I441M126-R157 VanDerWaalsContact CE-NH2 3.34Å; E129-R157 WeakPolarHBondContact OE1-CD 3.48Å; E129-R157 IonicContact OE2-NH1 2.74Å; Y141-R157 HydrophobicContact CD1-CB 4.22Å; Y141-R157 HydrophobicContact CD2-CB 4.01Å; Y141-R157 HydrophobicContact CE1-CB 3.9Å; Y141-R157 HydrophobicContact CE1-CG 4.06Å; Y141-R157 HydrophobicContact CE2-CB 3.64Å; Y141-R157 HydrophobicContact CE2-CG 4.4Å; Y141-R157 HydrophobicContact CG-CB 4.28Å; L153-R157 WeakPolarHBondContact O-CG 3.03Å; L153-R157 PolarHBondContact O-N 2.89Å; A154-R157 PolarHBondContact O-N 3.4Å; R155-R157 VanDerWaalsContact C-N 3.27Å; R155-R157 PolarHBondContact O-N 3.36Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.91Å; R157-T160 WeakPolarHBondContact O-CB 3.5Å; R157-T160 PolarHBondContact O-N 3.49Å; R157-T160 VanDerWaalsContact O-N 3.12Å; R157-I161 WeakPolarHBondContact O-CG1 3.35Å; R157-I161 PolarHBondContact O-N 3.01Å; R157-V440 HydrophobicContact CG-CG1 3.93Å; R157-I441 VanDerWaalsContact NH2-CG1 3.29Å
158M94.4Very high93.7Very high60 Ų6041.9 Ų41.930%0.29622%0.222SC..Hα-helixtrans-58-44.4174.9-74.3-169.769.400112.3Y141 I145 A154 R155 T160 I161 L162Y141-M158 HydrophobicContact CD2-CG 4.28Å; Y141-M158 HydrophobicContact CG-CG 4.3Å; I145-M158 HydrophobicContact CD1-CG 4Å; I145-M158 HydrophobicContact CD1-SD 3.21Å; I145-M158 WeakPolarHBondContact CD1-SD 3.37Å; A154-M158 PolarHBondContact O-N 3.05Å; A154-M158 VanDerWaalsContact O-N 3.09Å; R155-M158 PolarHBondContact O-N 3.17Å; M158-T160 VanDerWaalsContact C-N 3.33Å; M158-T160 PolarHBondContact O-N 3.1Å; M158-I161 PolarHBondContact O-N 3.35Å; M158-L162 PolarHBondContact O-N 3.42Å
159I95.3Very high93.9Very high5 Ų542.6 Ų42.63%0.02623%0.23CC..Hα-helixtrans-62.5-43176-64.1163.9000110.3R155 K156 R157 I161 L162 I163 E174 L175 Y178 F436R155-I159 WeakPolarHBondContact O-CG1 3.35Å; R155-I159 PolarHBondContact O-N 3.4Å; R155-I159 VanDerWaalsContact O-N 3.09Å; K156-I159 PolarHBondContact O-N 2.93Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 2.91Å; I159-I161 VanDerWaalsContact C-N 3.3Å; I159-I161 PolarHBondContact O-N 3.02Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.18Å; I159-L162 VanDerWaalsContact O-N 3.1Å; I159-I163 HydrophobicContact CG2-CD1 4.12Å; I159-I163 WeakPolarHBondContact O-CG1 3.48Å; I159-I163 PolarHBondContact O-N 3.17Å; I159-E174 HydrophobicContact CG1-CB 4Å; I159-L175 HydrophobicContact CD1-CB 4.24Å; I159-L175 HydrophobicContact CD1-CD1 3.89Å; I159-L175 HydrophobicContact CG2-CB 4.24Å; I159-L175 HydrophobicContact CG2-CD1 4.49Å; I159-Y178 HydrophobicContact CD1-CG 4.27Å; I159-F436 HydrophobicContact CB-CE1 4.24Å; I159-F436 HydrophobicContact CB-CZ 4.34Å; I159-F436 HydrophobicContact CD1-CZ 4.38Å; I159-F436 HydrophobicContact CG2-CE1 4.09Å; I159-F436 HydrophobicContact CG2-CZ 4.24Å
160T94.7Very high94.2Very high8 Ų843.6 Ų43.65%0.04923%0.229CC..Hα-helixtrans-60-38.2176.7-60.10000112.4K156 R157 M158 I163 A164 K437K156-T160 WeakPolarHBondContact O-CB 3.33Å; K156-T160 PolarHBondContact O-N 3.48Å; K156-T160 PolarHBondContact O-OG1 3.31Å; R157-T160 WeakPolarHBondContact O-CB 3.5Å; R157-T160 PolarHBondContact O-N 3.49Å; R157-T160 VanDerWaalsContact O-N 3.12Å; M158-T160 VanDerWaalsContact C-N 3.33Å; M158-T160 PolarHBondContact O-N 3.1Å; T160-I163 PolarHBondContact O-N 3.49Å; T160-A164 WeakPolarHBondContact O-CB 3.4Å; T160-A164 PolarHBondContact O-N 3.49Å; T160-K437 HydrophobicContact CG2-CD 3.97Å; T160-K437 HydrophobicContact CG2-CG 3.79Å
161I94.7Very high94.5Very high1 Ų139.1 Ų39.11%0.00520%0.201CC..Hα-helixtrans-62.8-44.2174.1-70.6173.8000110.8E129 F134 A137 Q138 Y141 R157 M158 I159 I163 A164 Q165E129-I161 HydrophobicContact CG-CD1 3.85Å; E129-I161 HydrophobicContact CG-CG1 3.85Å; F134-I161 HydrophobicContact CB-CG2 3.89Å; F134-I161 HydrophobicContact CD1-CG1 4.31Å; F134-I161 HydrophobicContact CD1-CG2 3.89Å; F134-I161 HydrophobicContact CG-CG2 4.12Å; A137-I161 HydrophobicContact CB-CD1 3.75Å; Q138-I161 HydrophobicContact CG-CD1 4.03Å; Q138-I161 HydrophobicContact CG-CG2 4.12Å; Q138-I161 VanDerWaalsContact NE2-CG2 3.29Å; Y141-I161 HydrophobicContact CD2-CD1 3.86Å; Y141-I161 HydrophobicContact CE2-CD1 3.66Å; R157-I161 WeakPolarHBondContact O-CG1 3.35Å; R157-I161 PolarHBondContact O-N 3.01Å; M158-I161 PolarHBondContact O-N 3.35Å; I159-I161 VanDerWaalsContact C-N 3.3Å; I159-I161 PolarHBondContact O-N 3.02Å; I161-I163 VanDerWaalsContact C-N 3.29Å; I161-I163 PolarHBondContact O-N 3.47Å; I161-A164 PolarHBondContact O-N 3.12Å; I161-Q165 HydrophobicContact CG2-CG 4.28Å; I161-Q165 WeakPolarHBondContact O-CB 3.5Å; I161-Q165 WeakPolarHBondContact O-CG 3.43Å; I161-Q165 PolarHBondContact O-N 3.25Å
162L95.5Very high94.9Very high26 Ų2639.1 Ų39.114%0.13620%0.201CC..Hα-helixtrans-59.6-42.5177.6-66.7171.4000111.3M158 I159 Q165 Q166 K167 E170 A171 E174M158-L162 PolarHBondContact O-N 3.42Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 3.18Å; I159-L162 VanDerWaalsContact O-N 3.1Å; L162-Q165 CarbonylContact O-C 3.15Å; L162-Q165 PolarHBondContact O-N 3.1Å; L162-Q166 PolarHBondContact O-N 2.88Å; L162-K167 HydrophobicContact CB-CB 4.47Å; L162-K167 HydrophobicContact CD2-CB 4.33Å; L162-K167 HydrophobicContact CD2-CD 4.08Å; L162-K167 PolarHBondContact O-N 3.41Å; L162-E170 HydrophobicContact CD1-CB 4.37Å; L162-E170 HydrophobicContact CD2-CB 4.4Å; L162-A171 HydrophobicContact CB-CB 3.84Å; L162-E174 HydrophobicContact CD1-CB 4.23Å; L162-E174 HydrophobicContact CD1-CG 3.77Å
163I95Very high95.1Very high18 Ų1840.4 Ų40.49%0.09221%0.206CC..Hα-helixtrans-62.3-45.2174.8-61168.3000110.7I159 T160 I161 Q165 Q166 A171 E191 L195I159-I163 HydrophobicContact CG2-CD1 4.12Å; I159-I163 WeakPolarHBondContact O-CG1 3.48Å; I159-I163 PolarHBondContact O-N 3.17Å; T160-I163 PolarHBondContact O-N 3.49Å; I161-I163 VanDerWaalsContact C-N 3.29Å; I161-I163 PolarHBondContact O-N 3.47Å; I163-Q165 VanDerWaalsContact C-N 3.26Å; I163-Q165 PolarHBondContact O-N 3.34Å; I163-Q166 PolarHBondContact O-N 3.04Å; I163-A171 HydrophobicContact CG1-CB 3.72Å; I163-E191 HydrophobicContact CD1-CG 4.22Å; I163-E191 WeakPolarHBondContact CD1-OE1 3.45Å; I163-L195 HydrophobicContact CD1-CD1 4.08Å; I163-L195 HydrophobicContact CD1-CD2 4.06Å; I163-L195 HydrophobicContact CG1-CD1 4.31Å; I163-L195 HydrophobicContact CG1-CD2 3.98Å; I163-L195 HydrophobicContact CG2-CD2 4.49Å
164A92Very high95.4Very high49 Ų4943.1 Ų43.141%0.40522%0.218SC..Hα-helixtrans-62.8-33.1177.900000112.7F134 T160 I161 Q166F134-A164 HydrophobicContact CE1-CB 4.26Å; F134-A164 HydrophobicContact CZ-CB 4.35Å; T160-A164 WeakPolarHBondContact O-CB 3.4Å; T160-A164 PolarHBondContact O-N 3.49Å; I161-A164 PolarHBondContact O-N 3.12Å; A164-Q166 PolarHBondContact O-N 3.03Å
165Q92.9Very high95.6Very high54 Ų5443.1 Ų43.125%0.25222%0.218SC..THydrogen-bonded Turntrans-78.72.2174-69.2-177.6-15.200113.7F134 I161 L162 I163 K167F134-Q165 HydrophobicContact CD2-CG 4.03Å; F134-Q165 HydrophobicContact CE2-CG 4.41Å; F134-Q165 HydrophobicContact CG-CG 4.27Å; I161-Q165 HydrophobicContact CG2-CG 4.28Å; I161-Q165 WeakPolarHBondContact O-CB 3.5Å; I161-Q165 WeakPolarHBondContact O-CG 3.43Å; I161-Q165 PolarHBondContact O-N 3.25Å; L162-Q165 CarbonylContact O-C 3.15Å; L162-Q165 PolarHBondContact O-N 3.1Å; I163-Q165 VanDerWaalsContact C-N 3.26Å; I163-Q165 PolarHBondContact O-N 3.34Å; Q165-K167 HydrophobicContact CB-CD 4.2Å; Q165-K167 HydrophobicContact CB-CG 4.11Å; Q165-K167 PolarHBondContact O-N 3.36Å
166Q94.1Very high95.7Very high147 Ų14745.5 Ų45.569%0.68723%0.227SC*.THydrogen-bonded Turntrans5825.6-174.2-59-67-2.300114L162 I163 A164 I168L162-Q166 PolarHBondContact O-N 2.88Å; I163-Q166 PolarHBondContact O-N 3.04Å; A164-Q166 PolarHBondContact O-N 3.03Å; Q166-I168 PolarHBondContact O-N 3.15Å; Q166-I168 VanDerWaalsContact O-N 3.14Å
167K96Very high95.8Very high86 Ų8648.8 Ų48.837%0.37424%0.242SC..  trans-88.363.4173.2-67.8179.4-177.8165.40109.5L162 Q165 E170 A171L162-K167 HydrophobicContact CB-CB 4.47Å; L162-K167 HydrophobicContact CD2-CB 4.33Å; L162-K167 HydrophobicContact CD2-CD 4.08Å; L162-K167 PolarHBondContact O-N 3.41Å; Q165-K167 HydrophobicContact CB-CD 4.2Å; Q165-K167 HydrophobicContact CB-CG 4.11Å; Q165-K167 PolarHBondContact O-N 3.36Å; K167-E170 HydrophobicContact CB-CB 4.32Å; K167-E170 WeakPolarHBondContact CB-OE2 3.13Å; K167-E170 PolarHBondContact O-N 2.73Å; K167-A171 WeakPolarHBondContact O-CB 2.71Å; K167-A171 PolarHBondContact O-N 2.69Å
168I96.1Very high95.9Very high17 Ų1748.4 Ų48.49%0.08724%0.241CC..Hα-helixtrans-62.6-45.2-172.1-53.9-56.1000112.4Q166 E170 A171 I172 L195 E199Q166-I168 PolarHBondContact O-N 3.15Å; Q166-I168 VanDerWaalsContact O-N 3.14Å; I168-E170 VanDerWaalsContact C-N 3.33Å; I168-E170 PolarHBondContact O-N 3.41Å; I168-A171 PolarHBondContact O-N 3.01Å; I168-I172 HydrophobicContact CG2-CD1 3.94Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.29Å; I168-L195 HydrophobicContact CD1-CD2 4.27Å; I168-L195 HydrophobicContact CG2-CD2 4.33Å; I168-E199 HydrophobicContact CG2-CG 3.76Å; I168-E199 WeakPolarHBondContact CG2-OE1 3.47Å
169P96.9Very high96Very high80 Ų8045.9 Ų45.952%0.51923%0.229SC..Hα-helixtrans-60.6-40.9178.5-24.735.8000113.2I172 N173P169-I172 PolarHBondContact O-N 2.89Å; P169-N173 PolarHBondContact O-N 2.87Å
170E97.3Very high96Very high97 Ų9751.5 Ų51.545%0.45325%0.253SS..Hα-helixtrans-67.8-42.1176.4-62.688.515900111.2L162 K167 I168 I172 N173 E174L162-E170 HydrophobicContact CD1-CB 4.37Å; L162-E170 HydrophobicContact CD2-CB 4.4Å; K167-E170 HydrophobicContact CB-CB 4.32Å; K167-E170 WeakPolarHBondContact CB-OE2 3.13Å; K167-E170 PolarHBondContact O-N 2.73Å; I168-E170 VanDerWaalsContact C-N 3.33Å; I168-E170 PolarHBondContact O-N 3.41Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 2.75Å; E170-N173 PolarHBondContact O-N 2.71Å; E170-E174 PolarHBondContact O-N 3.01Å
171A97.2Very high96Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-59.9-43.4175.200000111.8L162 I163 K167 I168 E174 L175 L195L162-A171 HydrophobicContact CB-CB 3.84Å; I163-A171 HydrophobicContact CG1-CB 3.72Å; K167-A171 WeakPolarHBondContact O-CB 2.71Å; K167-A171 PolarHBondContact O-N 2.69Å; I168-A171 PolarHBondContact O-N 3.01Å; A171-E174 PolarHBondContact O-N 2.88Å; A171-L175 WeakPolarHBondContact O-CB 3.39Å; A171-L175 PolarHBondContact O-N 2.73Å; A171-L195 HydrophobicContact CB-CD1 4.13Å
172I98.2Very high96Very high18 Ų1858.1 Ų58.19%0.09229%0.285CS..Hα-helixtrans-59.5-47.3174.3-71.8169.3000110.3I168 P169 E170 L175 R176 L192 L195 Y196 E199I168-I172 HydrophobicContact CG2-CD1 3.94Å; I168-I172 HydrophobicContact CG2-CG1 4.37Å; I168-I172 WeakPolarHBondContact O-CG1 3.47Å; I168-I172 PolarHBondContact O-N 3.29Å; P169-I172 PolarHBondContact O-N 2.89Å; E170-I172 VanDerWaalsContact C-N 3.34Å; E170-I172 PolarHBondContact O-N 2.75Å; I172-L175 PolarHBondContact O-N 2.88Å; I172-R176 HydrophobicContact CG2-CG 4.42Å; I172-R176 WeakPolarHBondContact O-CB 3.49Å; I172-R176 WeakPolarHBondContact O-CG 3.47Å; I172-R176 PolarHBondContact O-N 3.34Å; I172-L192 HydrophobicContact CG2-CD1 4.12Å; I172-L195 HydrophobicContact CD1-CB 4.14Å; I172-L195 HydrophobicContact CG1-CB 3.64Å; I172-L195 HydrophobicContact CG1-CD1 4.17Å; I172-Y196 HydrophobicContact CD1-CD1 4.15Å; I172-Y196 HydrophobicContact CD1-CE1 4.41Å; I172-Y196 HydrophobicContact CG2-CD1 4.29Å; I172-Y196 HydrophobicContact CG2-CE1 3.54Å; I172-E199 HydrophobicContact CD1-CG 3.84Å
173N97.9Very high96Very high72 Ų7261.7 Ų61.739%0.38530%0.302SS..Hα-helixtrans-61.6-49.1-179.5-173.170000112P169 E170 L175 R176 E177P169-N173 PolarHBondContact O-N 2.87Å; E170-N173 PolarHBondContact O-N 2.71Å; N173-L175 VanDerWaalsContact C-N 3.34Å; N173-L175 PolarHBondContact O-N 3.38Å; N173-R176 WeakPolarHBondContact O-CB 3.5Å; N173-R176 PolarHBondContact O-N 3.24Å; N173-E177 PolarHBondContact O-N 3.28Å
174E96.8Very high95.9Very high87 Ų8765.4 Ų65.441%0.40733%0.33SS..Hα-helixtrans-63.1-39.6178.4-71.6-56.6130.400112.2I159 L162 E170 A171 E177 Y178I159-E174 HydrophobicContact CG1-CB 4Å; L162-E174 HydrophobicContact CD1-CB 4.23Å; L162-E174 HydrophobicContact CD1-CG 3.77Å; E170-E174 PolarHBondContact O-N 3.01Å; A171-E174 PolarHBondContact O-N 2.88Å; E174-E177 PolarHBondContact O-N 3.41Å; E174-Y178 VanDerWaalsContact O-CB 3.31Å; E174-Y178 WeakPolarHBondContact O-CB 3.37Å; E174-Y178 PolarHBondContact O-N 3.03Å
175L97.2Very high96.1Very high0 Ų064.1 Ų64.10%032%0.316CS..Hα-helixtrans-68.9-33.3178-172.258.3000112.3I159 A171 I172 N173 Y178 L179 A188 E191 L192 L195 F436I159-L175 HydrophobicContact CD1-CB 4.24Å; I159-L175 HydrophobicContact CD1-CD1 3.89Å; I159-L175 HydrophobicContact CG2-CB 4.24Å; I159-L175 HydrophobicContact CG2-CD1 4.49Å; A171-L175 WeakPolarHBondContact O-CB 3.39Å; A171-L175 PolarHBondContact O-N 2.73Å; I172-L175 PolarHBondContact O-N 2.88Å; N173-L175 VanDerWaalsContact C-N 3.34Å; N173-L175 PolarHBondContact O-N 3.38Å; L175-Y178 HydrophobicContact CD1-CD1 4.21Å; L175-Y178 WeakPolarHBondContact O-CB 3.5Å; L175-Y178 PolarHBondContact O-N 3.2Å; L175-L179 HydrophobicContact CG-CD1 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.47Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.25Å; L175-A188 HydrophobicContact CD1-CB 3.84Å; L175-E191 HydrophobicContact CD2-CB 4.04Å; L175-E191 HydrophobicContact CD2-CG 4.15Å; L175-L192 HydrophobicContact CB-CD1 4.33Å; L175-L192 HydrophobicContact CD2-CB 3.55Å; L175-L192 HydrophobicContact CD2-CD1 4.03Å; L175-L192 HydrophobicContact CD2-CG 4.35Å; L175-L192 HydrophobicContact CG-CB 4.01Å; L175-L192 HydrophobicContact CG-CD1 4.25Å; L175-L195 HydrophobicContact CD2-CD1 3.89Å; L175-F436 HydrophobicContact CD1-CE2 4.03Å; L175-F436 HydrophobicContact CD1-CZ 4.04Å
176R97.8Very high96.1Very high111 Ų11165.4 Ų65.442%0.41932%0.321SS..Hα-helixtrans-65.6-46.7170.6-71.3170.475.7-159.80.4111.7I172 N173 Y178 L179 K180 L192 Y196I172-R176 HydrophobicContact CG2-CG 4.42Å; I172-R176 WeakPolarHBondContact O-CB 3.49Å; I172-R176 WeakPolarHBondContact O-CG 3.47Å; I172-R176 PolarHBondContact O-N 3.34Å; N173-R176 WeakPolarHBondContact O-CB 3.5Å; N173-R176 PolarHBondContact O-N 3.24Å; R176-Y178 VanDerWaalsContact C-N 3.29Å; R176-Y178 PolarHBondContact O-N 3.19Å; R176-L179 PolarHBondContact O-N 3.34Å; R176-K180 WeakPolarHBondContact O-CG 3.49Å; R176-K180 PolarHBondContact O-N 3.44Å; R176-K180 VanDerWaalsContact O-N 3.14Å; R176-L192 HydrophobicContact CG-CD1 4.19Å; R176-L192 HydrophobicContact CG-CD2 4.01Å; R176-Y196 WeakPolarHBondContact CD-OH 3.46Å
177E96.4Very high96Very high76 Ų7659.8 Ų59.836%0.35530%0.295SS..Hα-helixtrans-62.6-38.6176.4-65.8-49.9129.400111.4N173 E174 K180N173-E177 PolarHBondContact O-N 3.28Å; E174-E177 PolarHBondContact O-N 3.41Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 3.01Å; E177-K180 WeakPolarHBondContact OE1-CE 3.46Å; E177-K180 IonicContact OE1-NZ 3.82Å; E177-K180 PolarHBondContact OE1-NZ 2.98Å; E177-K180 WeakPolarHBondContact OE2-CD 3.46Å; E177-K180 WeakPolarHBondContact OE2-CE 3.2Å; E177-K180 IonicContact OE2-NZ 2.59Å; E177-K180 PolarHBondContact OE2-NZ 3.05Å
178Y96.6Very high96Very high5 Ų555.7 Ų55.72%0.0228%0.277CS..Hα-helixtrans-57.7-51.1172.6176.1-91.2000111.9T152 R155 K156 I159 E174 L175 R176 K180 I181 F182 D185 A188T152-Y178 VanDerWaalsContact CB-OH 3.3Å; T152-Y178 WeakPolarHBondContact CB-OH 3.4Å; T152-Y178 HydrophobicContact CG2-CE2 4.26Å; T152-Y178 WeakPolarHBondContact CG2-OH 3.5Å; R155-Y178 HydrophobicContact CB-CD2 3.84Å; R155-Y178 HydrophobicContact CB-CE2 3.91Å; K156-Y178 WeakPolarHBondContact CE-OH 3.38Å; K156-Y178 HydrophobicContact CG-CE2 4.48Å; I159-Y178 HydrophobicContact CD1-CG 4.27Å; E174-Y178 VanDerWaalsContact O-CB 3.31Å; E174-Y178 WeakPolarHBondContact O-CB 3.37Å; E174-Y178 PolarHBondContact O-N 3.03Å; L175-Y178 HydrophobicContact CD1-CD1 4.21Å; L175-Y178 WeakPolarHBondContact O-CB 3.5Å; L175-Y178 PolarHBondContact O-N 3.2Å; R176-Y178 VanDerWaalsContact C-N 3.29Å; R176-Y178 PolarHBondContact O-N 3.19Å; Y178-K180 VanDerWaalsContact C-N 3.26Å; Y178-K180 PolarHBondContact O-N 3.27Å; Y178-I181 PolarHBondContact O-N 2.85Å; Y178-F182 HydrophobicContact CD1-CB 4.38Å; Y178-F182 HydrophobicContact CD1-CD2 4.38Å; Y178-F182 AromaticContact CD2-CD2 3.53Å; Y178-F182 HydrophobicContact CD2-CD2 3.53Å; Y178-F182 AromaticContact CD2-CE2 3.98Å; Y178-F182 HydrophobicContact CD2-CE2 3.98Å; Y178-F182 HydrophobicContact CE1-CB 3.84Å; Y178-F182 HydrophobicContact CE1-CD2 4.2Å; Y178-F182 HydrophobicContact CE1-CG 4.38Å; Y178-F182 HydrophobicContact CE2-CB 4.37Å; Y178-F182 AromaticContact CE2-CD2 3.31Å; Y178-F182 HydrophobicContact CE2-CD2 3.31Å; Y178-F182 AromaticContact CE2-CE2 3.79Å; Y178-F182 HydrophobicContact CE2-CE2 3.79Å; Y178-F182 HydrophobicContact CE2-CG 4.02Å; Y178-F182 HydrophobicContact CG-CD2 4.07Å; Y178-F182 AromaticContact CZ-CD2 3.67Å; Y178-F182 AromaticContact CZ-CG 3.93Å; Y178-F182 WeakPolarHBondContact O-CD2 3.39Å; Y178-F182 PolarHBondContact O-N 2.94Å; Y178-D185 HydrophobicContact CE1-CB 4.05Å; Y178-D185 WeakPolarHBondContact CE1-OD2 2.97Å; Y178-D185 PolarHBondContact OH-OD2 3.49Å; Y178-A188 HydrophobicContact CD1-CB 3.95Å; Y178-A188 HydrophobicContact CE1-CB 3.64Å
179L96.9Very high96Very high7 Ų755.8 Ų55.84%0.03728%0.276CS..Hα-helixtrans-67.7-20.6-178.2-78.3170.2000113.9L175 R176 I181 M183 A188 W189 L192L175-L179 HydrophobicContact CG-CD1 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.47Å; L175-L179 WeakPolarHBondContact O-CG 3.31Å; L175-L179 PolarHBondContact O-N 3.25Å; R176-L179 PolarHBondContact O-N 3.34Å; L179-I181 PolarHBondContact O-N 3.49Å; L179-M183 WeakPolarHBondContact O-CA 3.42Å; L179-M183 PolarHBondContact O-N 2.58Å; L179-A188 HydrophobicContact CD2-CB 3.68Å; L179-A188 HydrophobicContact CG-CB 4.15Å; L179-W189 HydrophobicContact CB-CZ2 4.5Å; L179-W189 HydrophobicContact CD1-CD2 3.85Å; L179-W189 HydrophobicContact CD1-CE3 3.91Å; L179-W189 HydrophobicContact CD1-CG 4.28Å; L179-W189 HydrophobicContact CD1-CZ2 4.49Å; L179-W189 HydrophobicContact CD1-CZ3 4.25Å; L179-W189 HydrophobicContact CD2-CD2 4.06Å; L179-W189 HydrophobicContact CD2-CG 4Å; L179-W189 HydrophobicContact CD2-CZ2 4.45Å; L179-L192 HydrophobicContact CD1-CB 4.14Å; L179-L192 HydrophobicContact CD1-CD2 3.55Å; L179-L192 HydrophobicContact CD1-CG 4.47Å
180K95.9Very high96Very high123 Ų12352.5 Ų52.554%0.53525%0.254SS..Hα-helixtrans-64-29.9169.6-70177.8-167.5170.20112.5R176 E177 Y178R176-K180 WeakPolarHBondContact O-CG 3.49Å; R176-K180 PolarHBondContact O-N 3.44Å; R176-K180 VanDerWaalsContact O-N 3.14Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 3.01Å; E177-K180 WeakPolarHBondContact OE1-CE 3.46Å; E177-K180 IonicContact OE1-NZ 3.82Å; E177-K180 PolarHBondContact OE1-NZ 2.98Å; E177-K180 WeakPolarHBondContact OE2-CD 3.46Å; E177-K180 WeakPolarHBondContact OE2-CE 3.2Å; E177-K180 IonicContact OE2-NZ 2.59Å; E177-K180 PolarHBondContact OE2-NZ 3.05Å; Y178-K180 VanDerWaalsContact C-N 3.26Å; Y178-K180 PolarHBondContact O-N 3.27Å
181I94.7Very high96Very high111 Ų11149 Ų4957%0.56924%0.238SC*.Hα-helixtrans-95.3-45-178.8-55.6169.7000109.8Y178 L179Y178-I181 PolarHBondContact O-N 2.85Å; L179-I181 PolarHBondContact O-N 3.49Å
182F94.7Very high96Very high36 Ų3649.3 Ų49.316%0.15824%0.239CC..  trans-110.358.7-174-53.7-75.7000111.9T152 Y178 S184 D185T152-F182 HydrophobicContact CG2-CD1 3.53Å; T152-F182 HydrophobicContact CG2-CD2 4.24Å; T152-F182 HydrophobicContact CG2-CE1 3.48Å; T152-F182 VanDerWaalsContact CG2-CE1 3.48Å; T152-F182 HydrophobicContact CG2-CE2 4.2Å; T152-F182 HydrophobicContact CG2-CG 3.92Å; T152-F182 HydrophobicContact CG2-CZ 3.83Å; Y178-F182 HydrophobicContact CD1-CB 4.38Å; Y178-F182 HydrophobicContact CD1-CD2 4.38Å; Y178-F182 AromaticContact CD2-CD2 3.53Å; Y178-F182 HydrophobicContact CD2-CD2 3.53Å; Y178-F182 AromaticContact CD2-CE2 3.98Å; Y178-F182 HydrophobicContact CD2-CE2 3.98Å; Y178-F182 HydrophobicContact CE1-CB 3.84Å; Y178-F182 HydrophobicContact CE1-CD2 4.2Å; Y178-F182 HydrophobicContact CE1-CG 4.38Å; Y178-F182 HydrophobicContact CE2-CB 4.37Å; Y178-F182 AromaticContact CE2-CD2 3.31Å; Y178-F182 HydrophobicContact CE2-CD2 3.31Å; Y178-F182 AromaticContact CE2-CE2 3.79Å; Y178-F182 HydrophobicContact CE2-CE2 3.79Å; Y178-F182 HydrophobicContact CE2-CG 4.02Å; Y178-F182 HydrophobicContact CG-CD2 4.07Å; Y178-F182 AromaticContact CZ-CD2 3.67Å; Y178-F182 AromaticContact CZ-CG 3.93Å; Y178-F182 WeakPolarHBondContact O-CD2 3.39Å; Y178-F182 PolarHBondContact O-N 2.94Å; F182-S184 PolarHBondContact O-N 2.79Å; F182-S184 VanDerWaalsContact O-N 3.15Å; F182-D185 HydrophobicContact CB-CB 4.41Å; F182-D185 VanDerWaalsContact O-CB 3.3Å; F182-D185 WeakPolarHBondContact O-CB 3.42Å; F182-D185 PolarHBondContact O-N 2.94Å; F182-D185 VanDerWaalsContact O-N 3.13Å
183M95.2Very high96Very high102 Ų10248.4 Ų48.450%0.50224%0.235SC..THydrogen-bonded Turntrans-64.7-20.8-171.2-160.1177.674.200114.4L179 D185 W189L179-M183 WeakPolarHBondContact O-CA 3.42Å; L179-M183 PolarHBondContact O-N 2.58Å; M183-D185 VanDerWaalsContact C-N 3.29Å; M183-W189 HydrophobicContact CG-CZ2 4.23Å; M183-W189 PolarHBondContact O-NE1 3.49Å
184S94Very high95.9Very high96 Ų9647.4 Ų47.467%0.67123%0.229SC*.THydrogen-bonded Turntrans-86.45.4178.160.30000114.1F182 F186F182-S184 PolarHBondContact O-N 2.79Å; F182-S184 VanDerWaalsContact O-N 3.15Å; S184-F186 WeakPolarHBondContact O-CD2 3.33Å; S184-F186 WeakPolarHBondContact O-CE2 3.39Å; S184-F186 PolarHBondContact O-N 3.41Å
185D94.9Very high96Very high22 Ų2243.7 Ų43.712%0.11821%0.212CC..  trans-8786.8179.3-166.3-26.4000110.8K156 Y178 F182 M183 E187 A188 W189K156-D185 WeakPolarHBondContact CE-OD2 3.37Å; K156-D185 IonicContact NZ-OD1 2.67Å; K156-D185 PolarHBondContact NZ-OD1 2.92Å; K156-D185 IonicContact NZ-OD2 2.98Å; K156-D185 PolarHBondContact NZ-OD2 3.26Å; Y178-D185 HydrophobicContact CE1-CB 4.05Å; Y178-D185 WeakPolarHBondContact CE1-OD2 2.97Å; Y178-D185 PolarHBondContact OH-OD2 3.49Å; F182-D185 HydrophobicContact CB-CB 4.41Å; F182-D185 VanDerWaalsContact O-CB 3.3Å; F182-D185 WeakPolarHBondContact O-CB 3.42Å; F182-D185 PolarHBondContact O-N 2.94Å; F182-D185 VanDerWaalsContact O-N 3.13Å; M183-D185 VanDerWaalsContact C-N 3.29Å; D185-E187 PolarHBondContact O-N 3.09Å; D185-E187 PolarHBondContact OD1-N 3.38Å; D185-A188 HydrophobicContact CB-CB 3.96Å; D185-A188 WeakPolarHBondContact O-CB 3.46Å; D185-A188 PolarHBondContact O-N 3.34Å; D185-A188 VanDerWaalsContact O-N 3.17Å; D185-A188 PolarHBondContact OD1-N 3.37Å; D185-W189 VanDerWaalsContact O-CD1 3.26Å; D185-W189 PolarHBondContact O-N 3.28Å; D185-W189 VanDerWaalsContact O-N 3.12Å
186F93.7Very high96Very high81 Ų8144.4 Ų44.436%0.35522%0.215SC..Hα-helixtrans-71.2-18.9-175-60.4-61.1000114S184 W189 N190 M212S184-F186 WeakPolarHBondContact O-CD2 3.33Å; S184-F186 WeakPolarHBondContact O-CE2 3.39Å; S184-F186 PolarHBondContact O-N 3.41Å; F186-W189 AromaticContact CD1-CD1 3.79Å; F186-W189 PolarHBondContact O-N 3.46Å; F186-N190 PolarHBondContact O-N 3.31Å; F186-M212 HydrophobicContact CB-CE 4.18Å; F186-M212 HydrophobicContact CB-SD 3.72Å; F186-M212 HydrophobicContact CD1-SD 4Å; F186-M212 HydrophobicContact CG-SD 4.3Å; F186-M212 WeakPolarHBondContact O-CE 3.44Å
187E91.3Very high96Very high28 Ų2841.4 Ų41.413%0.13121%0.207CC..Hα-helixtrans-69.8-42.2170.5-58.1172.9157.700110.4K156 D185 W189 N190 E191 T434 A439K156-E187 IonicContact NZ-OE2 2.89Å; K156-E187 PolarHBondContact NZ-OE2 3.17Å; D185-E187 PolarHBondContact O-N 3.09Å; D185-E187 PolarHBondContact OD1-N 3.38Å; E187-W189 VanDerWaalsContact C-N 3.32Å; E187-W189 PolarHBondContact O-N 2.85Å; E187-N190 PolarHBondContact O-N 2.97Å; E187-E191 PolarHBondContact O-N 3.46Å; E187-T434 PolarHBondContact OE1-OG1 3.36Å; E187-A439 HydrophobicContact CG-CB 4.39Å; E187-A439 WeakPolarHBondContact OE1-CB 3.49Å; E187-A439 WeakPolarHBondContact OE2-CB 3.36Å
188A95.6Very high96Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-63.6-37.4174.100000112L175 Y178 L179 D185 E191 L192 F436L175-A188 HydrophobicContact CD1-CB 3.84Å; Y178-A188 HydrophobicContact CD1-CB 3.95Å; Y178-A188 HydrophobicContact CE1-CB 3.64Å; L179-A188 HydrophobicContact CD2-CB 3.68Å; L179-A188 HydrophobicContact CG-CB 4.15Å; D185-A188 HydrophobicContact CB-CB 3.96Å; D185-A188 WeakPolarHBondContact O-CB 3.46Å; D185-A188 PolarHBondContact O-N 3.34Å; D185-A188 VanDerWaalsContact O-N 3.17Å; D185-A188 PolarHBondContact OD1-N 3.37Å; A188-E191 PolarHBondContact O-N 3.14Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 2.94Å; A188-F436 HydrophobicContact CB-CD2 4.41Å; A188-F436 HydrophobicContact CB-CE2 3.86Å
189W97.6Very high96Very high20 Ų2045.7 Ų45.78%0.07624%0.235CC..Hα-helixtrans-62.5-43.4172.2-79109.5000112.8L179 M183 D185 F186 E187 L192 A193 F207 C208 E211 M212L179-W189 HydrophobicContact CB-CZ2 4.5Å; L179-W189 HydrophobicContact CD1-CD2 3.85Å; L179-W189 HydrophobicContact CD1-CE3 3.91Å; L179-W189 HydrophobicContact CD1-CG 4.28Å; L179-W189 HydrophobicContact CD1-CZ2 4.49Å; L179-W189 HydrophobicContact CD1-CZ3 4.25Å; L179-W189 HydrophobicContact CD2-CD2 4.06Å; L179-W189 HydrophobicContact CD2-CG 4Å; L179-W189 HydrophobicContact CD2-CZ2 4.45Å; M183-W189 HydrophobicContact CG-CZ2 4.23Å; M183-W189 PolarHBondContact O-NE1 3.49Å; D185-W189 VanDerWaalsContact O-CD1 3.26Å; D185-W189 PolarHBondContact O-N 3.28Å; D185-W189 VanDerWaalsContact O-N 3.12Å; F186-W189 AromaticContact CD1-CD1 3.79Å; F186-W189 PolarHBondContact O-N 3.46Å; E187-W189 VanDerWaalsContact C-N 3.32Å; E187-W189 PolarHBondContact O-N 2.85Å; W189-L192 PolarHBondContact O-N 3.26Å; W189-A193 PolarHBondContact O-N 3.31Å; W189-F207 AromaticContact CH2-CE1 3.89Å; W189-F207 HydrophobicContact CH2-CE1 3.89Å; W189-F207 HydrophobicContact CZ3-CD1 4.22Å; W189-F207 AromaticContact CZ3-CE1 3.88Å; W189-F207 HydrophobicContact CZ3-CE1 3.88Å; W189-C208 HydrophobicContact CE3-CB 4.02Å; W189-E211 HydrophobicContact CD2-CB 4.11Å; W189-E211 HydrophobicContact CE3-CB 4.18Å; W189-E211 HydrophobicContact CE3-CG 4.33Å; W189-E211 HydrophobicContact CH2-CB 4.4Å; W189-E211 HydrophobicContact CH2-CG 3.81Å; W189-E211 HydrophobicContact CZ2-CB 4.32Å; W189-E211 HydrophobicContact CZ2-CG 4.05Å; W189-E211 HydrophobicContact CZ3-CB 4.32Å; W189-E211 HydrophobicContact CZ3-CG 3.96Å; W189-M212 HydrophobicContact CB-CG 4.13Å; W189-M212 HydrophobicContact CB-SD 3.59Å; W189-M212 VanDerWaalsContact CB-SD 3.59Å; W189-M212 HydrophobicContact CG-SD 4.5Å
190N96Very high96Very high11 Ų1148.9 Ų48.96%0.05926%0.258CS..Hα-helixtrans-65.3-43.5177.3-174.782.8000111.7F186 E187 L192 A193 D194 M212 R225 V433F186-N190 PolarHBondContact O-N 3.31Å; E187-N190 PolarHBondContact O-N 2.97Å; N190-L192 VanDerWaalsContact C-N 3.3Å; N190-L192 PolarHBondContact O-N 3.31Å; N190-A193 WeakPolarHBondContact O-CB 2.77Å; N190-A193 PolarHBondContact O-N 3.13Å; N190-D194 PolarHBondContact ND2-OD2 2.93Å; N190-D194 PolarHBondContact O-N 3.04Å; N190-M212 HydrophobicContact CB-CE 4.13Å; N190-R225 PolarHBondContact OD1-NH1 3.01Å; N190-V433 HydrophobicContact CB-CG1 4.39Å
191E97Very high96.1Very high24 Ų2445.5 Ų45.511%0.11225%0.245CC..Hα-helixtrans-61-41.3175.8-166.169.8-172.100111.2I163 L175 E187 A188 A193 D194 L195 F436I163-E191 HydrophobicContact CD1-CG 4.22Å; I163-E191 WeakPolarHBondContact CD1-OE1 3.45Å; L175-E191 HydrophobicContact CD2-CB 4.04Å; L175-E191 HydrophobicContact CD2-CG 4.15Å; E187-E191 PolarHBondContact O-N 3.46Å; A188-E191 PolarHBondContact O-N 3.14Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.25Å; E191-D194 PolarHBondContact O-N 3.46Å; E191-D194 VanDerWaalsContact O-N 3.12Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 2.53Å; E191-F436 HydrophobicContact CB-CB 3.77Å; E191-F436 HydrophobicContact CB-CD1 4.47Å; E191-F436 HydrophobicContact CB-CD2 3.78Å; E191-F436 HydrophobicContact CB-CE2 4.44Å; E191-F436 HydrophobicContact CB-CG 3.79Å; E191-F436 VanDerWaalsContact CD-CB 3.48Å; E191-F436 HydrophobicContact CG-CB 3.72Å; E191-F436 HydrophobicContact CG-CD1 3.91Å; E191-F436 HydrophobicContact CG-CD2 4.13Å; E191-F436 HydrophobicContact CG-CE1 4.49Å; E191-F436 HydrophobicContact CG-CG 3.69Å; E191-F436 WeakPolarHBondContact OE2-CB 3.31Å
192L97.8Very high96.2Very high5 Ų543.5 Ų43.53%0.02623%0.231CC..Hα-helixtrans-64.3-39.8177.9-175.858.9000111.6I172 L175 R176 L179 A188 W189 N190 D194 L195 Y196I172-L192 HydrophobicContact CG2-CD1 4.12Å; L175-L192 HydrophobicContact CB-CD1 4.33Å; L175-L192 HydrophobicContact CD2-CB 3.55Å; L175-L192 HydrophobicContact CD2-CD1 4.03Å; L175-L192 HydrophobicContact CD2-CG 4.35Å; L175-L192 HydrophobicContact CG-CB 4.01Å; L175-L192 HydrophobicContact CG-CD1 4.25Å; R176-L192 HydrophobicContact CG-CD1 4.19Å; R176-L192 HydrophobicContact CG-CD2 4.01Å; L179-L192 HydrophobicContact CD1-CB 4.14Å; L179-L192 HydrophobicContact CD1-CD2 3.55Å; L179-L192 HydrophobicContact CD1-CG 4.47Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 2.94Å; W189-L192 PolarHBondContact O-N 3.26Å; N190-L192 VanDerWaalsContact C-N 3.3Å; N190-L192 PolarHBondContact O-N 3.31Å; L192-D194 VanDerWaalsContact C-N 3.28Å; L192-D194 PolarHBondContact O-N 3.4Å; L192-L195 PolarHBondContact O-N 2.9Å; L192-Y196 HydrophobicContact CD1-CD2 4.02Å; L192-Y196 HydrophobicContact CD1-CE2 3.55Å; L192-Y196 HydrophobicContact CD2-CE2 3.81Å; L192-Y196 HydrophobicContact CG-CD2 3.83Å; L192-Y196 HydrophobicContact CG-CE2 3.42Å; L192-Y196 VanDerWaalsContact CG-CE2 3.42Å; L192-Y196 WeakPolarHBondContact O-CD2 3.3Å; L192-Y196 PolarHBondContact O-N 2.81Å
193A97.5Very high96.3Very high0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-58.9-42.817300000111.1W189 N190 E191 Y196 L197 C208 M209W189-A193 PolarHBondContact O-N 3.31Å; N190-A193 WeakPolarHBondContact O-CB 2.77Å; N190-A193 PolarHBondContact O-N 3.13Å; E191-A193 VanDerWaalsContact C-N 3.33Å; E191-A193 PolarHBondContact O-N 3.25Å; A193-Y196 PolarHBondContact O-N 3.12Å; A193-L197 VanDerWaalsContact O-CG 3.28Å; A193-L197 WeakPolarHBondContact O-CG 3.34Å; A193-L197 PolarHBondContact O-N 2.89Å; A193-C208 HydrophobicContact CB-CB 3.69Å; A193-M209 HydrophobicContact CB-SD 4.33Å
194D96.9Very high96.5Very high50 Ų5047.9 Ų47.927%0.26725%0.249SC..Hα-helixtrans-67.6-40179.9-77.6-30.9000113.4N190 E191 L192 L197 S198 R225N190-D194 PolarHBondContact ND2-OD2 2.93Å; N190-D194 PolarHBondContact O-N 3.04Å; E191-D194 PolarHBondContact O-N 3.46Å; E191-D194 VanDerWaalsContact O-N 3.12Å; L192-D194 VanDerWaalsContact C-N 3.28Å; L192-D194 PolarHBondContact O-N 3.4Å; D194-L197 PolarHBondContact O-N 3.09Å; D194-S198 PolarHBondContact O-N 3.35Å; D194-R225 IonicContact OD1-CZ 2.72Å; D194-R225 IonicContact OD1-NE 3.54Å; D194-R225 IonicContact OD1-NH2 2.71Å; D194-R225 PolarHBondContact OD1-NH2 3.32Å; D194-R225 IonicContact OD2-CZ 2.77Å; D194-R225 IonicContact OD2-NH1 3.65Å; D194-R225 IonicContact OD2-NH2 2.93Å; D194-R225 PolarHBondContact OD2-NH2 3.34Å
195L97.7Very high96.7Very high9 Ų943.3 Ų43.35%0.04722%0.217CC..Hα-helixtrans-65.5-38.7173.3-63.8177000112.3I163 I168 A171 I172 L175 E191 L192 L197 S198 E199I163-L195 HydrophobicContact CD1-CD1 4.08Å; I163-L195 HydrophobicContact CD1-CD2 4.06Å; I163-L195 HydrophobicContact CG1-CD1 4.31Å; I163-L195 HydrophobicContact CG1-CD2 3.98Å; I163-L195 HydrophobicContact CG2-CD2 4.49Å; I168-L195 HydrophobicContact CD1-CD2 4.27Å; I168-L195 HydrophobicContact CG2-CD2 4.33Å; A171-L195 HydrophobicContact CB-CD1 4.13Å; I172-L195 HydrophobicContact CD1-CB 4.14Å; I172-L195 HydrophobicContact CG1-CB 3.64Å; I172-L195 HydrophobicContact CG1-CD1 4.17Å; L175-L195 HydrophobicContact CD2-CD1 3.89Å; E191-L195 WeakPolarHBondContact O-CG 3.48Å; E191-L195 PolarHBondContact O-N 2.53Å; L192-L195 PolarHBondContact O-N 2.9Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-S198 PolarHBondContact O-N 3.34Å; L195-S198 PolarHBondContact O-OG 3.04Å; L195-E199 PolarHBondContact O-N 2.89Å
196Y98.5Very high96.8Very high15 Ų1542.3 Ų42.36%0.05921%0.211CC..Hα-helixtrans-66.2-37.1173.8-76.6-50000112.2I172 R176 L192 A193 S198 E199 C200 D201 H204I172-Y196 HydrophobicContact CD1-CD1 4.15Å; I172-Y196 HydrophobicContact CD1-CE1 4.41Å; I172-Y196 HydrophobicContact CG2-CD1 4.29Å; I172-Y196 HydrophobicContact CG2-CE1 3.54Å; R176-Y196 WeakPolarHBondContact CD-OH 3.46Å; L192-Y196 HydrophobicContact CD1-CD2 4.02Å; L192-Y196 HydrophobicContact CD1-CE2 3.55Å; L192-Y196 HydrophobicContact CD2-CE2 3.81Å; L192-Y196 HydrophobicContact CG-CD2 3.83Å; L192-Y196 HydrophobicContact CG-CE2 3.42Å; L192-Y196 VanDerWaalsContact CG-CE2 3.42Å; L192-Y196 WeakPolarHBondContact O-CD2 3.3Å; L192-Y196 PolarHBondContact O-N 2.81Å; A193-Y196 PolarHBondContact O-N 3.12Å; Y196-S198 VanDerWaalsContact C-N 3.34Å; Y196-E199 CarbonylContact O-C 3.43Å; Y196-E199 PolarHBondContact O-N 3.01Å; Y196-C200 PolarHBondContact O-N 3.4Å; Y196-C200 VanDerWaalsContact O-N 3.15Å; Y196-D201 HydrophobicContact CD1-CB 4.01Å; Y196-D201 PolarHBondContact O-N 3.19Å; Y196-H204 HydrophobicContact CD1-CB 3.79Å; Y196-H204 HydrophobicContact CD2-CB 3.59Å; Y196-H204 HydrophobicContact CE1-CB 3.68Å; Y196-H204 HydrophobicContact CE2-CB 3.46Å; Y196-H204 VanDerWaalsContact CE2-CB 3.46Å; Y196-H204 HydrophobicContact CG-CB 3.75Å
197L97Very high97Very high49 Ų4942.3 Ų42.326%0.25721%0.211SC..Hα-helixtrans-66.2-36175.7-70.7170.5000112.3A193 D194 L195 E199 C200 Y202 A205 I229A193-L197 VanDerWaalsContact O-CG 3.28Å; A193-L197 WeakPolarHBondContact O-CG 3.34Å; A193-L197 PolarHBondContact O-N 2.89Å; D194-L197 PolarHBondContact O-N 3.09Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L197-E199 PolarHBondContact O-N 3.18Å; L197-C200 PolarHBondContact O-N 2.7Å; L197-C200 VanDerWaalsContact O-N 3.1Å; L197-Y202 HydrophobicContact CD2-CD1 3.95Å; L197-Y202 HydrophobicContact CD2-CE1 4.37Å; L197-A205 HydrophobicContact CD2-CB 3.73Å; L197-A205 HydrophobicContact CG-CB 3.76Å; L197-I229 HydrophobicContact CD1-CD1 4.22Å; L197-I229 HydrophobicContact CD1-CG1 4.27Å; L197-I229 HydrophobicContact CD2-CD1 4.26Å; L197-I229 HydrophobicContact CD2-CG1 3.88Å; L197-I229 HydrophobicContact CD2-CG2 4.34Å
198S96Very high97.3Very high72 Ų7241 Ų4150%0.50321%0.205SC..Hα-helixtrans-64.1-31.817459.70000112.6D194 L195 Y196 C200D194-S198 PolarHBondContact O-N 3.35Å; L195-S198 PolarHBondContact O-N 3.34Å; L195-S198 PolarHBondContact O-OG 3.04Å; Y196-S198 VanDerWaalsContact C-N 3.34Å; S198-C200 VanDerWaalsContact C-N 3.3Å
199E97.1Very high97.4Very high98 Ų9841 Ų4146%0.45821%0.205SC..THydrogen-bonded Turntrans-87.66.6175.1-64.7-59.3126.700113.5I168 I172 L195 Y196 L197 D201I168-E199 HydrophobicContact CG2-CG 3.76Å; I168-E199 WeakPolarHBondContact CG2-OE1 3.47Å; I172-E199 HydrophobicContact CD1-CG 3.84Å; L195-E199 PolarHBondContact O-N 2.89Å; Y196-E199 CarbonylContact O-C 3.43Å; Y196-E199 PolarHBondContact O-N 3.01Å; L197-E199 PolarHBondContact O-N 3.18Å; E199-D201 PolarHBondContact O-N 3.35Å; E199-D201 VanDerWaalsContact O-N 3.14Å
200C97Very high97.4Very high75 Ų7541.5 Ų41.551%0.50721%0.208SC..THydrogen-bonded Turntrans56.622.6-174.9-56.80000114.2Y196 L197 S198 Y202Y196-C200 PolarHBondContact O-N 3.4Å; Y196-C200 VanDerWaalsContact O-N 3.15Å; L197-C200 PolarHBondContact O-N 2.7Å; L197-C200 VanDerWaalsContact O-N 3.1Å; S198-C200 VanDerWaalsContact C-N 3.3Å; C200-Y202 VanDerWaalsContact C-N 3.29Å; C200-Y202 HydrophobicContact CB-CE2 4.19Å; C200-Y202 WeakPolarHBondContact O-CD2 3.16Å; C200-Y202 WeakPolarHBondContact O-CE2 3.42Å; C200-Y202 PolarHBondContact O-N 2.87Å
201D97.8Very high97.5Very high52 Ų5243.3 Ų43.328%0.27822%0.216SC..  trans-85.172.2174.7-166.5-21.6000110.5Y196 E199 K203 H204 A205Y196-D201 HydrophobicContact CD1-CB 4.01Å; Y196-D201 PolarHBondContact O-N 3.19Å; E199-D201 PolarHBondContact O-N 3.35Å; E199-D201 VanDerWaalsContact O-N 3.14Å; D201-K203 PolarHBondContact O-N 3.13Å; D201-H204 PolarHBondContact O-N 2.86Å; D201-H204 IonicContact OD1-CG 2.76Å; D201-H204 PolarHBondContact OD1-N 2.55Å; D201-H204 IonicContact OD1-ND1 3.33Å; D201-H204 PolarHBondContact OD1-ND1 3.34Å; D201-H204 IonicContact OD2-CE1 2.89Å; D201-H204 IonicContact OD2-CG 2.87Å; D201-H204 IonicContact OD2-ND1 3.15Å; D201-H204 PolarHBondContact OD2-ND1 3.38Å; D201-A205 WeakPolarHBondContact O-CB 3.49Å; D201-A205 PolarHBondContact O-N 2.88Å
202Y97.8Very high97.5Very high69 Ų6942.3 Ų42.327%0.27121%0.212SC..Hα-helixtrans-61.2-28.3-175.8-52.1-61.1000113.2L197 C200 A206 I229 T232 E233L197-Y202 HydrophobicContact CD2-CD1 3.95Å; L197-Y202 HydrophobicContact CD2-CE1 4.37Å; C200-Y202 VanDerWaalsContact C-N 3.29Å; C200-Y202 HydrophobicContact CB-CE2 4.19Å; C200-Y202 WeakPolarHBondContact O-CD2 3.16Å; C200-Y202 WeakPolarHBondContact O-CE2 3.42Å; C200-Y202 PolarHBondContact O-N 2.87Å; Y202-A206 VanDerWaalsContact O-CB 3.23Å; Y202-A206 WeakPolarHBondContact O-CB 3.21Å; Y202-A206 PolarHBondContact O-N 2.89Å; Y202-I229 WeakPolarHBondContact O-CG2 3.47Å; Y202-T232 HydrophobicContact CD1-CG2 4.32Å; Y202-T232 HydrophobicContact CE1-CG2 3.69Å; Y202-E233 HydrophobicContact CD2-CB 4.41Å; Y202-E233 HydrophobicContact CD2-CG 4.49Å; Y202-E233 HydrophobicContact CG-CB 4.31Å
203K96.9Very high97.4Very high145 Ų14542.3 Ų42.363%0.6321%0.212SC*.Hα-helixtrans-68.4-50.3-178.5-71.1-179.1-179.5-179.90111D201 A206 F207 E233D201-K203 PolarHBondContact O-N 3.13Å; K203-A206 PolarHBondContact O-N 3.15Å; K203-F207 PolarHBondContact O-N 3.24Å; K203-F207 VanDerWaalsContact O-N 3.12Å; K203-E233 WeakPolarHBondContact CE-OE1 3.11Å; K203-E233 VanDerWaalsContact CG-OE1 3.26Å; K203-E233 WeakPolarHBondContact CG-OE1 3.14Å
204H97.9Very high97.3Very high85 Ų8546 Ų4639%0.39423%0.231SC..Hα-helixtrans-72.6-34178.1-65101.4000111.8Y196 D201 A206 F207 C208Y196-H204 HydrophobicContact CD1-CB 3.79Å; Y196-H204 HydrophobicContact CD2-CB 3.59Å; Y196-H204 HydrophobicContact CE1-CB 3.68Å; Y196-H204 HydrophobicContact CE2-CB 3.46Å; Y196-H204 VanDerWaalsContact CE2-CB 3.46Å; Y196-H204 HydrophobicContact CG-CB 3.75Å; D201-H204 PolarHBondContact O-N 2.86Å; D201-H204 IonicContact OD1-CG 2.76Å; D201-H204 PolarHBondContact OD1-N 2.55Å; D201-H204 IonicContact OD1-ND1 3.33Å; D201-H204 PolarHBondContact OD1-ND1 3.34Å; D201-H204 IonicContact OD2-CE1 2.89Å; D201-H204 IonicContact OD2-CG 2.87Å; D201-H204 IonicContact OD2-ND1 3.15Å; D201-H204 PolarHBondContact OD2-ND1 3.38Å; H204-A206 VanDerWaalsContact C-N 3.32Å; H204-A206 PolarHBondContact O-N 3.35Å; H204-F207 WeakPolarHBondContact O-CB 2.96Å; H204-F207 PolarHBondContact O-N 3.16Å; H204-C208 PolarHBondContact O-N 2.96Å; H204-C208 PolarHBondContact O-SG 3.38Å; H204-C208 VanDerWaalsContact O-SG 3.39Å
205A98.3Very high97.2Very high0 Ų045.8 Ų45.80%023%0.233CC..Hα-helixtrans-59.7-42.6171.600000112.1L197 D201 C208 M209 I229L197-A205 HydrophobicContact CD2-CB 3.73Å; L197-A205 HydrophobicContact CG-CB 3.76Å; D201-A205 WeakPolarHBondContact O-CB 3.49Å; D201-A205 PolarHBondContact O-N 2.88Å; A205-C208 PolarHBondContact O-N 3.43Å; A205-M209 PolarHBondContact O-N 3.11Å; A205-M209 VanDerWaalsContact O-N 3.12Å; A205-I229 HydrophobicContact CB-CD1 4.05Å; A205-I229 HydrophobicContact CB-CG2 4.32Å
206A97.9Very high97Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-62.6-41.5175.500000112.1Y202 K203 H204 C208 M209 E210 Y226 I229 K230Y202-A206 VanDerWaalsContact O-CB 3.23Å; Y202-A206 WeakPolarHBondContact O-CB 3.21Å; Y202-A206 PolarHBondContact O-N 2.89Å; K203-A206 PolarHBondContact O-N 3.15Å; H204-A206 VanDerWaalsContact C-N 3.32Å; H204-A206 PolarHBondContact O-N 3.35Å; A206-C208 PolarHBondContact O-N 3.31Å; A206-M209 CarbonylContact O-C 3.49Å; A206-M209 WeakPolarHBondContact O-CB 3.03Å; A206-M209 PolarHBondContact O-N 2.95Å; A206-M209 VanDerWaalsContact O-N 3.13Å; A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.37Å; A206-Y226 HydrophobicContact CB-CD2 4.36Å; A206-Y226 HydrophobicContact CB-CE2 3.89Å; A206-I229 HydrophobicContact CB-CG2 4Å; A206-K230 HydrophobicContact CB-CD 4.41Å
207F98Very high96.9Very high81 Ų8151.2 Ų51.236%0.35527%0.267SS..Hα-helixtrans-59.2-45.5175.1176-96.9000111.9W189 K203 H204 M209 E210 E211W189-F207 AromaticContact CH2-CE1 3.89Å; W189-F207 HydrophobicContact CH2-CE1 3.89Å; W189-F207 HydrophobicContact CZ3-CD1 4.22Å; W189-F207 AromaticContact CZ3-CE1 3.88Å; W189-F207 HydrophobicContact CZ3-CE1 3.88Å; K203-F207 PolarHBondContact O-N 3.24Å; K203-F207 VanDerWaalsContact O-N 3.12Å; H204-F207 WeakPolarHBondContact O-CB 2.96Å; H204-F207 PolarHBondContact O-N 3.16Å; F207-M209 VanDerWaalsContact C-N 3.25Å; F207-M209 PolarHBondContact O-N 3.13Å; F207-E210 WeakPolarHBondContact O-CB 3.49Å; F207-E210 PolarHBondContact O-N 2.94Å; F207-E211 HydrophobicContact CE1-CG 4.14Å; F207-E211 HydrophobicContact CZ-CG 4.12Å; F207-E211 PolarHBondContact O-N 3.05Å
208C97.9Very high96.8Very high1 Ų152.9 Ų52.91%0.00728%0.283CS..Hα-helixtrans-57.4-41174.4-65.50000111.8W189 A193 H204 A205 A206 E210 E211 M212W189-C208 HydrophobicContact CE3-CB 4.02Å; A193-C208 HydrophobicContact CB-CB 3.69Å; H204-C208 PolarHBondContact O-N 2.96Å; H204-C208 PolarHBondContact O-SG 3.38Å; H204-C208 VanDerWaalsContact O-SG 3.39Å; A205-C208 PolarHBondContact O-N 3.43Å; A206-C208 PolarHBondContact O-N 3.31Å; C208-E210 VanDerWaalsContact C-N 3.33Å; C208-E210 PolarHBondContact O-N 2.76Å; C208-E211 PolarHBondContact O-N 3.05Å; C208-M212 VanDerWaalsContact O-CG 3.28Å; C208-M212 WeakPolarHBondContact O-CG 3.44Å; C208-M212 PolarHBondContact O-N 3.27Å; C208-M212 VanDerWaalsContact O-N 3.1Å
209M97.9Very high96.6Very high0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-68.8-28.7176.7-70.8-51.6-50.100113.7A193 A205 A206 F207 M212 I213 Y222 R225 Y226 I229A193-M209 HydrophobicContact CB-SD 4.33Å; A205-M209 PolarHBondContact O-N 3.11Å; A205-M209 VanDerWaalsContact O-N 3.12Å; A206-M209 CarbonylContact O-C 3.49Å; A206-M209 WeakPolarHBondContact O-CB 3.03Å; A206-M209 PolarHBondContact O-N 2.95Å; A206-M209 VanDerWaalsContact O-N 3.13Å; F207-M209 VanDerWaalsContact C-N 3.25Å; F207-M209 PolarHBondContact O-N 3.13Å; M209-M212 HydrophobicContact CE-CB 4.17Å; M209-M212 WeakPolarHBondContact O-CB 3.43Å; M209-M212 PolarHBondContact O-N 3.47Å; M209-M212 HydrophobicContact SD-CG 4.47Å; M209-I213 VanDerWaalsContact O-CG1 3.29Å; M209-I213 WeakPolarHBondContact O-CG1 3.42Å; M209-I213 PolarHBondContact O-N 3.23Å; M209-Y222 HydrophobicContact CE-CD1 4.15Å; M209-Y222 HydrophobicContact CE-CG 4.29Å; M209-R225 HydrophobicContact CE-CB 3.8Å; M209-R225 HydrophobicContact CE-CG 4.1Å; M209-R225 HydrophobicContact CG-CG 4.43Å; M209-R225 HydrophobicContact SD-CB 4.34Å; M209-R225 HydrophobicContact SD-CG 3.97Å; M209-Y226 HydrophobicContact CB-CD2 3.87Å; M209-I229 HydrophobicContact CB-CD1 4.41Å; M209-I229 HydrophobicContact CG-CD1 3.47Å; M209-I229 VanDerWaalsContact CG-CD1 3.47Å
210E97.8Very high96.5Very high30 Ų3047.8 Ų47.814%0.1425%0.252CS..Hα-helixtrans-64.9-44.8172.8-70.8166.4-175.200110.9A206 F207 C208 M212 I213 L214 Y226A206-E210 WeakPolarHBondContact O-CG 3.37Å; A206-E210 PolarHBondContact O-N 3.37Å; F207-E210 WeakPolarHBondContact O-CB 3.49Å; F207-E210 PolarHBondContact O-N 2.94Å; C208-E210 VanDerWaalsContact C-N 3.33Å; C208-E210 PolarHBondContact O-N 2.76Å; E210-M212 VanDerWaalsContact C-N 3.29Å; E210-M212 PolarHBondContact O-N 3.02Å; E210-I213 PolarHBondContact O-N 2.8Å; E210-I213 VanDerWaalsContact O-N 3.13Å; E210-L214 WeakPolarHBondContact O-CG 3.23Å; E210-L214 PolarHBondContact O-N 3.32Å; E210-Y226 HydrophobicContact CG-CD2 4.04Å; E210-Y226 HydrophobicContact CG-CE2 3.42Å; E210-Y226 VanDerWaalsContact CG-CE2 3.42Å; E210-Y226 WeakPolarHBondContact OE1-CE2 3.36Å; E210-Y226 PolarHBondContact OE1-OH 3.42Å
211E97Very high96.5Very high50 Ų5046.1 Ų46.123%0.23424%0.238CC..Hα-helixtrans-61.7-37.6174.5-63.4-61.613500111.8W189 F207 C208 L214 S215W189-E211 HydrophobicContact CD2-CB 4.11Å; W189-E211 HydrophobicContact CE3-CB 4.18Å; W189-E211 HydrophobicContact CE3-CG 4.33Å; W189-E211 HydrophobicContact CH2-CB 4.4Å; W189-E211 HydrophobicContact CH2-CG 3.81Å; W189-E211 HydrophobicContact CZ2-CB 4.32Å; W189-E211 HydrophobicContact CZ2-CG 4.05Å; W189-E211 HydrophobicContact CZ3-CB 4.32Å; W189-E211 HydrophobicContact CZ3-CG 3.96Å; F207-E211 HydrophobicContact CE1-CG 4.14Å; F207-E211 HydrophobicContact CZ-CG 4.12Å; F207-E211 PolarHBondContact O-N 3.05Å; C208-E211 PolarHBondContact O-N 3.05Å; E211-L214 PolarHBondContact O-N 3.35Å; E211-S215 PolarHBondContact O-N 2.86Å; E211-S215 VanDerWaalsContact O-N 3.1Å
212M96.4Very high96.4Very high3 Ų345.3 Ų45.32%0.01523%0.231CC..Hα-helixtrans-64.8-39.7173.5-66.6-66.9-73.900112.4F186 W189 N190 C208 M209 E210 S215 N216 Y222F186-M212 HydrophobicContact CB-CE 4.18Å; F186-M212 HydrophobicContact CB-SD 3.72Å; F186-M212 HydrophobicContact CD1-SD 4Å; F186-M212 HydrophobicContact CG-SD 4.3Å; F186-M212 WeakPolarHBondContact O-CE 3.44Å; W189-M212 HydrophobicContact CB-CG 4.13Å; W189-M212 HydrophobicContact CB-SD 3.59Å; W189-M212 VanDerWaalsContact CB-SD 3.59Å; W189-M212 HydrophobicContact CG-SD 4.5Å; N190-M212 HydrophobicContact CB-CE 4.13Å; C208-M212 VanDerWaalsContact O-CG 3.28Å; C208-M212 WeakPolarHBondContact O-CG 3.44Å; C208-M212 PolarHBondContact O-N 3.27Å; C208-M212 VanDerWaalsContact O-N 3.1Å; M209-M212 HydrophobicContact CE-CB 4.17Å; M209-M212 WeakPolarHBondContact O-CB 3.43Å; M209-M212 PolarHBondContact O-N 3.47Å; M209-M212 HydrophobicContact SD-CG 4.47Å; E210-M212 VanDerWaalsContact C-N 3.29Å; E210-M212 PolarHBondContact O-N 3.02Å; M212-S215 PolarHBondContact O-N 3.49Å; M212-S215 PolarHBondContact O-OG 3.06Å; M212-N216 PolarHBondContact O-N 3.41Å; M212-Y222 HydrophobicContact CB-CD2 4.04Å; M212-Y222 HydrophobicContact CB-CE2 4.21Å; M212-Y222 HydrophobicContact CB-CG 4.21Å; M212-Y222 HydrophobicContact CE-CD1 4.44Å; M212-Y222 HydrophobicContact CE-CE1 3.68Å; M212-Y222 HydrophobicContact CE-CE2 4.1Å; M212-Y222 VanDerWaalsContact CE-CZ 3.47Å; M212-Y222 WeakPolarHBondContact CE-OH 3.36Å; M212-Y222 WeakPolarHBondContact O-CD2 3.28Å; M212-Y222 VanDerWaalsContact O-CE2 3.28Å; M212-Y222 WeakPolarHBondContact O-CE2 3.47Å
213I96.3Very high96.4Very high4 Ų443.1 Ų43.12%0.02122%0.223CC..Hα-helixtrans-66.9-39.5176-71.2170.8000110.8M209 E210 S215 N216 P217 Y223 Y226 Y245M209-I213 VanDerWaalsContact O-CG1 3.29Å; M209-I213 WeakPolarHBondContact O-CG1 3.42Å; M209-I213 PolarHBondContact O-N 3.23Å; E210-I213 PolarHBondContact O-N 2.8Å; E210-I213 VanDerWaalsContact O-N 3.13Å; I213-S215 VanDerWaalsContact C-N 3.28Å; I213-S215 PolarHBondContact O-N 3.03Å; I213-N216 CarbonylContact O-C 3.6Å; I213-N216 VanDerWaalsContact O-C 3.23Å; I213-N216 PolarHBondContact O-N 2.83Å; I213-P217 WeakPolarHBondContact O-CA 3.44Å; I213-P217 WeakPolarHBondContact O-CD 3.22Å; I213-P217 WeakPolarHBondContact O-CG 3.24Å; I213-P217 VanDerWaalsContact O-N 3.07Å; I213-Y223 HydrophobicContact CD1-CD1 4.19Å; I213-Y223 HydrophobicContact CD1-CE1 4.39Å; I213-Y223 HydrophobicContact CD1-CG 4.4Å; I213-Y223 HydrophobicContact CG2-CE1 3.88Å; I213-Y223 HydrophobicContact CG2-CE2 4.15Å; I213-Y223 WeakPolarHBondContact CG2-OH 3.22Å; I213-Y226 HydrophobicContact CD1-CG 4.24Å; I213-Y245 HydrophobicContact CD1-CD1 4.01Å; I213-Y245 HydrophobicContact CD1-CE1 3.7Å
214L95.9Very high96.5Very high79 Ų7937.4 Ų37.441%0.41420%0.198SC..Hα-helixtrans-62.4-35.7176.4-71.1175.6000112.3E210 E211 H314E210-L214 WeakPolarHBondContact O-CG 3.23Å; E210-L214 PolarHBondContact O-N 3.32Å; E211-L214 PolarHBondContact O-N 3.35Å; L214-H314 HydrophobicContact CD1-CB 4.4Å; L214-H314 HydrophobicContact CD2-CB 3.92Å
215S94.3Very high96.5Very high45 Ų4536.4 Ų36.432%0.31519%0.191SC..Hα-helixtrans-73.5-36179.776.50000113.6E211 M212 I213E211-S215 PolarHBondContact O-N 2.86Å; E211-S215 VanDerWaalsContact O-N 3.1Å; M212-S215 PolarHBondContact O-N 3.49Å; M212-S215 PolarHBondContact O-OG 3.06Å; I213-S215 VanDerWaalsContact C-N 3.28Å; I213-S215 PolarHBondContact O-N 3.03Å
216N94Very high96.5Very high62 Ų6236.8 Ų36.833%0.33219%0.192SC..  trans-140.485174.5-170.7-9.2000112.1M212 I213 S218 N219 Y222M212-N216 PolarHBondContact O-N 3.41Å; I213-N216 CarbonylContact O-C 3.6Å; I213-N216 VanDerWaalsContact O-C 3.23Å; I213-N216 PolarHBondContact O-N 2.83Å; N216-S218 PolarHBondContact O-N 3.35Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-S218 PolarHBondContact OD1-N 3.28Å; N216-S218 PolarHBondContact OD1-OG 3.47Å; N216-N219 HydrophobicContact CB-CB 4.2Å; N216-N219 PolarHBondContact O-N 2.89Å; N216-N219 VanDerWaalsContact O-N 3.08Å; N216-N219 PolarHBondContact OD1-N 3.44Å; N216-Y222 HydrophobicContact CB-CD2 4.44Å; N216-Y222 HydrophobicContact CB-CE2 3.94Å
217P95.8Very high96.5Very high75 Ų7536.8 Ų36.849%0.48719%0.192SC..THydrogen-bonded Turntrans-66.3-10.6-179.5-22.633.4000114.8I213 Y223I213-P217 WeakPolarHBondContact O-CA 3.44Å; I213-P217 WeakPolarHBondContact O-CD 3.22Å; I213-P217 WeakPolarHBondContact O-CG 3.24Å; I213-P217 VanDerWaalsContact O-N 3.07Å; P217-Y223 VanDerWaalsContact O-CE2 3.22Å; P217-Y223 WeakPolarHBondContact O-CE2 3.03Å; P217-Y223 PolarHBondContact O-OH 2.93Å; P217-Y223 VanDerWaalsContact O-OH 3.11Å
218S93.9Very high96.5Very high85 Ų8534.8 Ų34.859%0.59418%0.184SC*.THydrogen-bonded Turntrans-88.7-12.3176.772.90000113N216 H220N216-S218 PolarHBondContact O-N 3.35Å; N216-S218 VanDerWaalsContact O-N 3.08Å; N216-S218 PolarHBondContact OD1-N 3.28Å; N216-S218 PolarHBondContact OD1-OG 3.47Å; S218-H220 PolarHBondContact O-N 2.91Å; S218-H220 VanDerWaalsContact O-N 3.16Å
219N93.6Very high96.5Very high15 Ų1535 Ų358%0.0819%0.185CC..  trans-81.599.4-175.6-170.6-14.5000111.7N216 L221 Y222 Y223N216-N219 HydrophobicContact CB-CB 4.2Å; N216-N219 PolarHBondContact O-N 2.89Å; N216-N219 VanDerWaalsContact O-N 3.08Å; N216-N219 PolarHBondContact OD1-N 3.44Å; N219-L221 PolarHBondContact O-N 3.37Å; N219-L221 VanDerWaalsContact O-N 3.1Å; N219-L221 WeakPolarHBondContact OD1-CB 3.41Å; N219-L221 PolarHBondContact OD1-N 3.46Å; N219-Y222 HydrophobicContact CB-CD2 3.71Å; N219-Y222 HydrophobicContact CB-CE2 3.93Å; N219-Y222 HydrophobicContact CB-CG 4.1Å; N219-Y222 VanDerWaalsContact ND2-CE1 3.31Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.23Å; N219-Y222 PolarHBondContact O-N 3.28Å; N219-Y222 VanDerWaalsContact O-N 3.1Å; N219-Y223 WeakPolarHBondContact O-CD2 3.49Å
220H94.2Very high96.5Very high48 Ų4835.8 Ų35.822%0.22219%0.189CC..Hα-helixtrans-58.1-24.2179.271.784.2000114.5S218 Y222 Q224 L252 C253 N256S218-H220 PolarHBondContact O-N 2.91Å; S218-H220 VanDerWaalsContact O-N 3.16Å; H220-Y222 VanDerWaalsContact C-N 3.32Å; H220-Q224 WeakPolarHBondContact O-CB 3.39Å; H220-Q224 PolarHBondContact O-N 3.2Å; H220-L252 HydrophobicContact CB-CB 3.68Å; H220-L252 HydrophobicContact CB-CD1 4.25Å; H220-C253 HydrophobicContact CB-CB 3.93Å; H220-C253 VanDerWaalsContact CD2-CB 3.43Å; H220-C253 WeakPolarHBondContact CD2-CB 3.36Å; H220-C253 VanDerWaalsContact CG-CB 3.46Å; H220-N256 PolarHBondContact ND1-ND2 3.46Å; H220-N256 VanDerWaalsContact ND1-ND2 3.11Å
221L96.4Very high96.5Very high40 Ų4038.1 Ų38.121%0.20920%0.197CC..Hα-helixtrans-70.6-30.1179.2-63.2175.3000111.8N219 Q224 R225N219-L221 PolarHBondContact O-N 3.37Å; N219-L221 VanDerWaalsContact O-N 3.1Å; N219-L221 WeakPolarHBondContact OD1-CB 3.41Å; N219-L221 PolarHBondContact OD1-N 3.46Å; L221-Q224 PolarHBondContact O-N 3.3Å; L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 PolarHBondContact O-N 3.4Å
222Y96.9Very high96.5Very high35 Ų3539.7 Ų39.714%0.13721%0.21CC..Hα-helixtrans-71.1-41.4176.8-60-18.3000111.3M209 M212 N216 N219 H220 R225 Y226M209-Y222 HydrophobicContact CE-CD1 4.15Å; M209-Y222 HydrophobicContact CE-CG 4.29Å; M212-Y222 HydrophobicContact CB-CD2 4.04Å; M212-Y222 HydrophobicContact CB-CE2 4.21Å; M212-Y222 HydrophobicContact CB-CG 4.21Å; M212-Y222 HydrophobicContact CE-CD1 4.44Å; M212-Y222 HydrophobicContact CE-CE1 3.68Å; M212-Y222 HydrophobicContact CE-CE2 4.1Å; M212-Y222 VanDerWaalsContact CE-CZ 3.47Å; M212-Y222 WeakPolarHBondContact CE-OH 3.36Å; M212-Y222 WeakPolarHBondContact O-CD2 3.28Å; M212-Y222 VanDerWaalsContact O-CE2 3.28Å; M212-Y222 WeakPolarHBondContact O-CE2 3.47Å; N216-Y222 HydrophobicContact CB-CD2 4.44Å; N216-Y222 HydrophobicContact CB-CE2 3.94Å; N219-Y222 HydrophobicContact CB-CD2 3.71Å; N219-Y222 HydrophobicContact CB-CE2 3.93Å; N219-Y222 HydrophobicContact CB-CG 4.1Å; N219-Y222 VanDerWaalsContact ND2-CE1 3.31Å; N219-Y222 WeakPolarHBondContact ND2-CE1 3.23Å; N219-Y222 PolarHBondContact O-N 3.28Å; N219-Y222 VanDerWaalsContact O-N 3.1Å; H220-Y222 VanDerWaalsContact C-N 3.32Å; Y222-R225 PolarHBondContact O-N 2.89Å; Y222-Y226 WeakPolarHBondContact O-CB 3.46Å; Y222-Y226 PolarHBondContact O-N 3.44Å
223Y97.6Very high96.4Very high23 Ų2341.7 Ų41.79%0.0922%0.219CC..Hα-helixtrans-62.2-42.7171.8-66.7-90.9000111.9I213 P217 N219 A227 Y245 Q248 L252I213-Y223 HydrophobicContact CD1-CD1 4.19Å; I213-Y223 HydrophobicContact CD1-CE1 4.39Å; I213-Y223 HydrophobicContact CD1-CG 4.4Å; I213-Y223 HydrophobicContact CG2-CE1 3.88Å; I213-Y223 HydrophobicContact CG2-CE2 4.15Å; I213-Y223 WeakPolarHBondContact CG2-OH 3.22Å; P217-Y223 VanDerWaalsContact O-CE2 3.22Å; P217-Y223 WeakPolarHBondContact O-CE2 3.03Å; P217-Y223 PolarHBondContact O-OH 2.93Å; P217-Y223 VanDerWaalsContact O-OH 3.11Å; N219-Y223 WeakPolarHBondContact O-CD2 3.49Å; Y223-A227 VanDerWaalsContact O-CB 3.3Å; Y223-A227 WeakPolarHBondContact O-CB 3.26Å; Y223-A227 PolarHBondContact O-N 3.05Å; Y223-Y245 AromaticContact CD1-CD1 3.57Å; Y223-Y245 HydrophobicContact CD1-CD1 3.57Å; Y223-Y245 AromaticContact CD1-CE1 3.98Å; Y223-Y245 HydrophobicContact CD1-CE1 3.98Å; Y223-Y245 HydrophobicContact CE1-CD1 4.29Å; Y223-Y245 HydrophobicContact CE1-CE1 4.25Å; Y223-Y245 HydrophobicContact CG-CD1 4.44Å; Y223-Q248 HydrophobicContact CD1-CB 3.95Å; Y223-Q248 HydrophobicContact CD1-CG 3.56Å; Y223-Q248 HydrophobicContact CE1-CB 4.42Å; Y223-Q248 HydrophobicContact CE1-CG 3.6Å; Y223-Q248 HydrophobicContact CG-CG 4.14Å; Y223-L252 HydrophobicContact CD2-CD1 3.58Å; Y223-L252 HydrophobicContact CE2-CD1 3.56Å; Y223-L252 HydrophobicContact CG-CD1 4.38Å
224Q97.7Very high96.2Very high25 Ų2542.6 Ų42.612%0.11723%0.229CC..Hα-helixtrans-58.3-51.8175.2-179.3-165-58.300110.9H220 L221 A227 E228 Y246 A249 N256 R258 S259H220-Q224 WeakPolarHBondContact O-CB 3.39Å; H220-Q224 PolarHBondContact O-N 3.2Å; L221-Q224 PolarHBondContact O-N 3.3Å; Q224-A227 WeakPolarHBondContact O-CB 3.44Å; Q224-A227 PolarHBondContact O-N 2.87Å; Q224-E228 PolarHBondContact NE2-OE1 3.43Å; Q224-E228 WeakPolarHBondContact O-CG 3.38Å; Q224-E228 PolarHBondContact O-N 3.46Å; Q224-Y246 HydrophobicContact CG-CE1 4.38Å; Q224-A249 HydrophobicContact CB-CB 4.33Å; Q224-N256 PolarHBondContact OE1-ND2 2.94Å; Q224-N256 PolarHBondContact OE1-OD1 2.94Å; Q224-R258 HydrophobicContact CG-CG 4.21Å; Q224-R258 VanDerWaalsContact NE2-CG 3.26Å; Q224-S259 WeakPolarHBondContact CB-OG 3.21Å; Q224-S259 WeakPolarHBondContact CG-OG 3.46Å
225R97.7Very high96Very high64 Ų6441.1 Ų41.124%0.24223%0.233CC..Hα-helixtrans-65.7-41.9-177.3-169.6172.5-164153.316.6111.7N190 D194 M209 L221 Y222 A227 E228 I229N190-R225 PolarHBondContact OD1-NH1 3.01Å; D194-R225 IonicContact OD1-CZ 2.72Å; D194-R225 IonicContact OD1-NE 3.54Å; D194-R225 IonicContact OD1-NH2 2.71Å; D194-R225 PolarHBondContact OD1-NH2 3.32Å; D194-R225 IonicContact OD2-CZ 2.77Å; D194-R225 IonicContact OD2-NH1 3.65Å; D194-R225 IonicContact OD2-NH2 2.93Å; D194-R225 PolarHBondContact OD2-NH2 3.34Å; M209-R225 HydrophobicContact CE-CB 3.8Å; M209-R225 HydrophobicContact CE-CG 4.1Å; M209-R225 HydrophobicContact CG-CG 4.43Å; M209-R225 HydrophobicContact SD-CB 4.34Å; M209-R225 HydrophobicContact SD-CG 3.97Å; L221-R225 WeakPolarHBondContact O-CB 3.47Å; L221-R225 PolarHBondContact O-N 3.4Å; Y222-R225 PolarHBondContact O-N 2.89Å; R225-A227 VanDerWaalsContact C-N 3.32Å; R225-A227 PolarHBondContact O-N 3.2Å; R225-E228 WeakPolarHBondContact O-CB 3.47Å; R225-E228 PolarHBondContact O-N 3.22Å; R225-I229 VanDerWaalsContact O-CG1 3.3Å; R225-I229 WeakPolarHBondContact O-CG1 3.39Å; R225-I229 PolarHBondContact O-N 3.05Å
226Y98.4Very high95.8Very high7 Ų743.4 Ų43.43%0.02725%0.245CC..Hα-helixtrans-57.4-45.4172.3-177-91.6000112A206 M209 E210 I213 Y222 E228 I229 K230 Y245A206-Y226 HydrophobicContact CB-CD2 4.36Å; A206-Y226 HydrophobicContact CB-CE2 3.89Å; M209-Y226 HydrophobicContact CB-CD2 3.87Å; E210-Y226 HydrophobicContact CG-CD2 4.04Å; E210-Y226 HydrophobicContact CG-CE2 3.42Å; E210-Y226 VanDerWaalsContact CG-CE2 3.42Å; E210-Y226 WeakPolarHBondContact OE1-CE2 3.36Å; E210-Y226 PolarHBondContact OE1-OH 3.42Å; I213-Y226 HydrophobicContact CD1-CG 4.24Å; Y222-Y226 WeakPolarHBondContact O-CB 3.46Å; Y222-Y226 PolarHBondContact O-N 3.44Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.44Å; Y226-I229 PolarHBondContact O-N 3.16Å; Y226-K230 HydrophobicContact CD1-CG 4.03Å; Y226-K230 HydrophobicContact CE1-CD 4.49Å; Y226-K230 HydrophobicContact CE1-CG 3.59Å; Y226-K230 HydrophobicContact CE2-CG 4.47Å; Y226-K230 PolarHBondContact O-N 2.9Å; Y226-K230 VanDerWaalsContact OH-CE 3.29Å; Y226-K230 WeakPolarHBondContact OH-CE 3.3Å; Y226-Y245 AromaticContact CD1-CD1 3.36Å; Y226-Y245 HydrophobicContact CD1-CD1 3.36Å; Y226-Y245 AromaticContact CD1-CD2 3.71Å; Y226-Y245 HydrophobicContact CD1-CD2 3.71Å; Y226-Y245 AromaticContact CD1-CE1 3.63Å; Y226-Y245 HydrophobicContact CD1-CE1 3.63Å; Y226-Y245 AromaticContact CD1-CE2 3.93Å; Y226-Y245 HydrophobicContact CD1-CE2 3.93Å; Y226-Y245 AromaticContact CD1-CG 3.43Å; Y226-Y245 HydrophobicContact CD1-CG 3.43Å; Y226-Y245 VanDerWaalsContact CD1-CG 3.43Å; Y226-Y245 AromaticContact CD1-CZ 3.9Å; Y226-Y245 AromaticContact CE1-CD1 3.95Å; Y226-Y245 HydrophobicContact CE1-CD1 3.95Å; Y226-Y245 AromaticContact CE1-CD2 3.6Å; Y226-Y245 HydrophobicContact CE1-CD2 3.6Å; Y226-Y245 AromaticContact CE1-CE1 3.85Å; Y226-Y245 HydrophobicContact CE1-CE1 3.85Å; Y226-Y245 AromaticContact CE1-CE2 3.47Å; Y226-Y245 HydrophobicContact CE1-CE2 3.47Å; Y226-Y245 VanDerWaalsContact CE1-CE2 3.47Å; Y226-Y245 AromaticContact CE1-CG 3.85Å; Y226-Y245 HydrophobicContact CE1-CG 3.85Å; Y226-Y245 AromaticContact CE1-CZ 3.61Å; Y226-Y245 HydrophobicContact CG-CD1 4.02Å; Y226-Y245 HydrophobicContact CG-CE1 4.18Å; Y226-Y245 HydrophobicContact CG-CG 4.46Å
227A98Very high95.7Very high0 Ų047.9 Ų47.90%026%0.264CS..Hα-helixtrans-63.4-37.2177.700000112.6Y223 Q224 R225 K230 Y231 A242 Y246Y223-A227 VanDerWaalsContact O-CB 3.3Å; Y223-A227 WeakPolarHBondContact O-CB 3.26Å; Y223-A227 PolarHBondContact O-N 3.05Å; Q224-A227 WeakPolarHBondContact O-CB 3.44Å; Q224-A227 PolarHBondContact O-N 2.87Å; R225-A227 VanDerWaalsContact C-N 3.32Å; R225-A227 PolarHBondContact O-N 3.2Å; A227-K230 PolarHBondContact O-N 3.27Å; A227-Y231 VanDerWaalsContact O-CB 3.23Å; A227-Y231 WeakPolarHBondContact O-CB 3.26Å; A227-Y231 PolarHBondContact O-N 3.45Å; A227-A242 WeakPolarHBondContact O-CB 3.42Å; A227-Y246 HydrophobicContact CB-CD1 3.61Å; A227-Y246 HydrophobicContact CB-CD2 3.67Å; A227-Y246 HydrophobicContact CB-CE1 3.69Å; A227-Y246 HydrophobicContact CB-CE2 3.74Å; A227-Y246 HydrophobicContact CB-CG 3.59Å
228E98.2Very high95.6Very high39 Ų3945.7 Ų45.718%0.18225%0.249CC..Hα-helixtrans-62.5-43.7173.8-73.1172.6167.300111.8Q224 R225 Y226 Y231 T232 Y246 R258Q224-E228 PolarHBondContact NE2-OE1 3.43Å; Q224-E228 WeakPolarHBondContact O-CG 3.38Å; Q224-E228 PolarHBondContact O-N 3.46Å; R225-E228 WeakPolarHBondContact O-CB 3.47Å; R225-E228 PolarHBondContact O-N 3.22Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.44Å; E228-Y231 PolarHBondContact O-N 2.97Å; E228-T232 WeakPolarHBondContact O-CB 3.5Å; E228-T232 PolarHBondContact O-N 3.43Å; E228-T232 PolarHBondContact O-OG1 3.25Å; E228-Y246 WeakPolarHBondContact CA-OH 3.26Å; E228-Y246 HydrophobicContact CG-CE1 4.16Å; E228-Y246 WeakPolarHBondContact CG-OH 3.37Å; E228-R258 WeakPolarHBondContact OE1-CG 3.27Å; E228-R258 IonicContact OE1-CZ 3.44Å; E228-R258 IonicContact OE1-NE 3.96Å; E228-R258 PolarHBondContact OE1-NE 2.94Å; E228-R258 IonicContact OE1-NH2 3.5Å; E228-R258 PolarHBondContact OE1-NH2 3.42Å; E228-R258 VanDerWaalsContact OE1-NH2 3.15Å
229I98.4Very high95.6Very high5 Ų542.9 Ų42.93%0.02623%0.226CC..Hα-helixtrans-62.5-49177.1-62.3173000110L197 Y202 A205 A206 M209 R225 Y226 Y231 T232 E233L197-I229 HydrophobicContact CD1-CD1 4.22Å; L197-I229 HydrophobicContact CD1-CG1 4.27Å; L197-I229 HydrophobicContact CD2-CD1 4.26Å; L197-I229 HydrophobicContact CD2-CG1 3.88Å; L197-I229 HydrophobicContact CD2-CG2 4.34Å; Y202-I229 WeakPolarHBondContact O-CG2 3.47Å; A205-I229 HydrophobicContact CB-CD1 4.05Å; A205-I229 HydrophobicContact CB-CG2 4.32Å; A206-I229 HydrophobicContact CB-CG2 4Å; M209-I229 HydrophobicContact CB-CD1 4.41Å; M209-I229 HydrophobicContact CG-CD1 3.47Å; M209-I229 VanDerWaalsContact CG-CD1 3.47Å; R225-I229 VanDerWaalsContact O-CG1 3.3Å; R225-I229 WeakPolarHBondContact O-CG1 3.39Å; R225-I229 PolarHBondContact O-N 3.05Å; Y226-I229 PolarHBondContact O-N 3.16Å; I229-Y231 PolarHBondContact O-N 3Å; I229-T232 PolarHBondContact O-N 3.46Å; I229-T232 VanDerWaalsContact O-N 3.15Å; I229-E233 PolarHBondContact O-N 3.45Å
230K98Very high95.5Very high18 Ų1846.9 Ų46.98%0.07825%0.245CC..Hα-helixtrans-65.7-37.1178.9-68.5-57.1-178.8-173.80113.5A206 Y226 A227 T232 E233 G234 N238 L241 A242A206-K230 HydrophobicContact CB-CD 4.41Å; Y226-K230 HydrophobicContact CD1-CG 4.03Å; Y226-K230 HydrophobicContact CE1-CD 4.49Å; Y226-K230 HydrophobicContact CE1-CG 3.59Å; Y226-K230 HydrophobicContact CE2-CG 4.47Å; Y226-K230 PolarHBondContact O-N 2.9Å; Y226-K230 VanDerWaalsContact OH-CE 3.29Å; Y226-K230 WeakPolarHBondContact OH-CE 3.3Å; A227-K230 PolarHBondContact O-N 3.27Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 2.86Å; K230-E233 WeakPolarHBondContact CD-OE2 3.44Å; K230-E233 IonicContact NZ-OE2 2.86Å; K230-E233 PolarHBondContact NZ-OE2 3.5Å; K230-E233 PolarHBondContact O-N 2.99Å; K230-G234 PolarHBondContact O-N 3.01Å; K230-N238 HydrophobicContact CB-CB 4.4Å; K230-N238 HydrophobicContact CD-CB 4.44Å; K230-N238 WeakPolarHBondContact O-CB 3.32Å; K230-L241 HydrophobicContact CG-CB 4.41Å; K230-A242 HydrophobicContact CB-CB 4.15Å
231Y97.2Very high95.5Very high79 Ų7947.7 Ų47.731%0.3125%0.25SS..Hα-helixtrans-61-41.1172.8-179-89.8000111.3A227 E228 I229 G234 L239 L265 T266 A269A227-Y231 VanDerWaalsContact O-CB 3.23Å; A227-Y231 WeakPolarHBondContact O-CB 3.26Å; A227-Y231 PolarHBondContact O-N 3.45Å; E228-Y231 PolarHBondContact O-N 2.97Å; I229-Y231 PolarHBondContact O-N 3Å; Y231-G234 PolarHBondContact O-N 2.97Å; Y231-L239 HydrophobicContact CD2-CD2 3.6Å; Y231-L239 HydrophobicContact CE2-CD2 3.91Å; Y231-L239 HydrophobicContact CG-CD2 4.35Å; Y231-L265 HydrophobicContact CE2-CB 4.14Å; Y231-T266 HydrophobicContact CD2-CG2 4.31Å; Y231-T266 VanDerWaalsContact CD2-OG1 3.23Å; Y231-T266 WeakPolarHBondContact CD2-OG1 3.27Å; Y231-A269 HydrophobicContact CE2-CB 4.4Å
232T96.7Very high95.5Very high82 Ų8245.8 Ų45.850%0.50324%0.241SC..Hα-helixtrans-73-38.3-179.5-53.30000112.4Y202 E228 I229 K230 G234Y202-T232 HydrophobicContact CD1-CG2 4.32Å; Y202-T232 HydrophobicContact CE1-CG2 3.69Å; E228-T232 WeakPolarHBondContact O-CB 3.5Å; E228-T232 PolarHBondContact O-N 3.43Å; E228-T232 PolarHBondContact O-OG1 3.25Å; I229-T232 PolarHBondContact O-N 3.46Å; I229-T232 VanDerWaalsContact O-N 3.15Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 2.86Å; T232-G234 PolarHBondContact O-N 3.27Å
233E95.7Very high95.4Very high46 Ų4646.3 Ų46.322%0.21524%0.242CC..Hα-helixtrans-57.3-32.1174.2-167.9178.4176.700111.5Y202 K203 I229 K230 N238Y202-E233 HydrophobicContact CD2-CB 4.41Å; Y202-E233 HydrophobicContact CD2-CG 4.49Å; Y202-E233 HydrophobicContact CG-CB 4.31Å; K203-E233 WeakPolarHBondContact CE-OE1 3.11Å; K203-E233 VanDerWaalsContact CG-OE1 3.26Å; K203-E233 WeakPolarHBondContact CG-OE1 3.14Å; I229-E233 PolarHBondContact O-N 3.45Å; K230-E233 WeakPolarHBondContact CD-OE2 3.44Å; K230-E233 IonicContact NZ-OE2 2.86Å; K230-E233 PolarHBondContact NZ-OE2 3.5Å; K230-E233 PolarHBondContact O-N 2.99Å; E233-N238 WeakPolarHBondContact CG-ND2 3.46Å
234G91.5Very high95.3Very high22 Ų2245.6 Ų45.623%0.22724%0.241CC..  trans71.2-179.3173.500000113.7K230 Y231 T232 N238K230-G234 PolarHBondContact O-N 3.01Å; Y231-G234 PolarHBondContact O-N 2.97Å; T232-G234 PolarHBondContact O-N 3.27Å; G234-N238 VanDerWaalsContact O-CB 3.27Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-ND2 3.39Å
235G91.3Very high95.3Very high49 Ų4945.2 Ų45.251%0.50524%0.239SC..SBendtrans85151.1-170.400000112.6E237 N238 L239G235-E237 VanDerWaalsContact C-N 3.35Å; G235-E237 PolarHBondContact O-N 3.39Å; G235-N238 PolarHBondContact O-N 3.16Å; G235-L239 VanDerWaalsContact O-CG 3.32Å; G235-L239 WeakPolarHBondContact O-CG 3.28Å; G235-L239 PolarHBondContact O-N 2.96Å
236T90.5Very high95.3Very high92 Ų9242.5 Ų42.556%0.56423%0.229SC*.Hα-helixtrans-59.7-43.3-171-52.60000112.5L239 E240 L270T236-L239 PolarHBondContact O-N 2.62Å; T236-E240 WeakPolarHBondContact O-CG 3.38Å; T236-E240 PolarHBondContact O-N 3.01Å; T236-L270 HydrophobicContact CG2-CD2 4.21Å
237E91Very high95.1Very high157 Ų15742.3 Ų42.373%0.73423%0.228SC*.Hα-helixtrans-62.5-46.2179.5-63.1179.817800112G235 L239 E240 L241G235-E237 VanDerWaalsContact C-N 3.35Å; G235-E237 PolarHBondContact O-N 3.39Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.5Å; E237-E240 WeakPolarHBondContact O-CB 3.43Å; E237-E240 PolarHBondContact O-N 3.41Å; E237-L241 PolarHBondContact O-N 2.98Å
238N94Very high95Very high29 Ų2944.8 Ų44.816%0.15524%0.239CC..Hα-helixtrans-69.4-32.8178.7-65.8-41.1000112.1K230 E233 G234 G235 E240 L241 A242K230-N238 HydrophobicContact CB-CB 4.4Å; K230-N238 HydrophobicContact CD-CB 4.44Å; K230-N238 WeakPolarHBondContact O-CB 3.32Å; E233-N238 WeakPolarHBondContact CG-ND2 3.46Å; G234-N238 VanDerWaalsContact O-CB 3.27Å; G234-N238 WeakPolarHBondContact O-CB 3.42Å; G234-N238 PolarHBondContact O-ND2 3.39Å; G235-N238 PolarHBondContact O-N 3.16Å; N238-E240 VanDerWaalsContact C-N 3.34Å; N238-L241 PolarHBondContact O-N 3.41Å; N238-A242 WeakPolarHBondContact O-CB 3.3Å; N238-A242 PolarHBondContact O-N 2.91Å
239L93.8Very high94.8Very high25 Ų2542.9 Ų42.913%0.13123%0.231CC..Hα-helixtrans-66-37.4171.8-70.6174.3000111.6Y231 G235 T236 E237 A242 R243 T266 A269 L270Y231-L239 HydrophobicContact CD2-CD2 3.6Å; Y231-L239 HydrophobicContact CE2-CD2 3.91Å; Y231-L239 HydrophobicContact CG-CD2 4.35Å; G235-L239 VanDerWaalsContact O-CG 3.32Å; G235-L239 WeakPolarHBondContact O-CG 3.28Å; G235-L239 PolarHBondContact O-N 2.96Å; T236-L239 PolarHBondContact O-N 2.62Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.5Å; L239-A242 PolarHBondContact O-N 2.97Å; L239-R243 WeakPolarHBondContact O-CB 3.4Å; L239-R243 PolarHBondContact O-N 3.45Å; L239-T266 HydrophobicContact CB-CG2 4.25Å; L239-T266 HydrophobicContact CD2-CG2 4.26Å; L239-T266 WeakPolarHBondContact O-CG2 3.24Å; L239-A269 HydrophobicContact CD1-CB 4.02Å; L239-A269 HydrophobicContact CD2-CB 4.24Å; L239-L270 HydrophobicContact CB-CD1 4.49Å; L239-L270 HydrophobicContact CB-CD2 3.58Å; L239-L270 HydrophobicContact CB-CG 3.94Å; L239-L270 HydrophobicContact CD1-CD2 4.37Å
240E92.2Very high94.6Very high100 Ų10042.8 Ų42.847%0.46723%0.23SC..Hα-helixtrans-64.2-41.6173.3-73-178.6175.800112T236 E237 N238 R243 A244 L270T236-E240 WeakPolarHBondContact O-CG 3.38Å; T236-E240 PolarHBondContact O-N 3.01Å; E237-E240 WeakPolarHBondContact O-CB 3.43Å; E237-E240 PolarHBondContact O-N 3.41Å; N238-E240 VanDerWaalsContact C-N 3.34Å; E240-R243 PolarHBondContact O-N 3.37Å; E240-A244 PolarHBondContact O-N 3.2Å; E240-L270 HydrophobicContact CG-CD1 4.31Å; E240-L270 HydrophobicContact CG-CD2 3.93Å
241L94.7Very high94.4Very high65 Ų6546.4 Ų46.434%0.3425%0.25SC..Hα-helixtrans-61.8-48.5172-70.7174.3000111.4K230 E237 N238 R243 A244 Y245K230-L241 HydrophobicContact CG-CB 4.41Å; E237-L241 PolarHBondContact O-N 2.98Å; N238-L241 PolarHBondContact O-N 3.41Å; L241-R243 VanDerWaalsContact C-N 3.25Å; L241-R243 PolarHBondContact O-N 3.23Å; L241-A244 WeakPolarHBondContact O-CB 3.48Å; L241-A244 PolarHBondContact O-N 3.5Å; L241-Y245 HydrophobicContact CD2-CE2 4.45Å; L241-Y245 WeakPolarHBondContact O-CD2 3.35Å; L241-Y245 PolarHBondContact O-N 2.94Å
242A96.6Very high94.2Very high0 Ų045.8 Ų45.80%025%0.252CS..Hα-helixtrans-56.6-42177.400000111.3A227 K230 N238 L239 A244 Y245 Y246 T266A227-A242 WeakPolarHBondContact O-CB 3.42Å; K230-A242 HydrophobicContact CB-CB 4.15Å; N238-A242 WeakPolarHBondContact O-CB 3.3Å; N238-A242 PolarHBondContact O-N 2.91Å; L239-A242 PolarHBondContact O-N 2.97Å; A242-A244 PolarHBondContact O-N 3.24Å; A242-Y245 PolarHBondContact O-N 2.67Å; A242-Y246 HydrophobicContact CB-CD2 4.4Å; A242-Y246 HydrophobicContact CB-CE2 4.33Å; A242-Y246 WeakPolarHBondContact O-CB 3.39Å; A242-Y246 WeakPolarHBondContact O-CD2 3.5Å; A242-Y246 PolarHBondContact O-N 2.59Å; A242-T266 HydrophobicContact CB-CG2 4Å
243R95.2Very high94.1Very high45 Ų4543.4 Ų43.417%0.1724%0.238CC..Hα-helixtrans-61.5-45.4176-177.3-176.959.685.93.8110.8L239 E240 L241 S247 L263 T266 L270 N352 L355L239-R243 WeakPolarHBondContact O-CB 3.4Å; L239-R243 PolarHBondContact O-N 3.45Å; E240-R243 PolarHBondContact O-N 3.37Å; L241-R243 VanDerWaalsContact C-N 3.25Å; L241-R243 PolarHBondContact O-N 3.23Å; R243-S247 VanDerWaalsContact O-CB 3.31Å; R243-S247 WeakPolarHBondContact O-CB 3.4Å; R243-S247 PolarHBondContact O-N 3.09Å; R243-S247 PolarHBondContact O-OG 3.28Å; R243-L263 HydrophobicContact CG-CD1 4Å; R243-T266 HydrophobicContact CB-CG2 3.74Å; R243-L270 HydrophobicContact CB-CD1 4.15Å; R243-N352 WeakPolarHBondContact CD-OD1 3.41Å; R243-N352 PolarHBondContact NE-OD1 3.45Å; R243-L355 HydrophobicContact CG-CD2 3.94Å
244A95.1Very high93.9Very high8 Ų844.4 Ų44.47%0.06625%0.249CC..Hα-helixtrans-61.3-48.7178.500000111.9E240 L241 A242 S247 Q248 L307E240-A244 PolarHBondContact O-N 3.2Å; L241-A244 WeakPolarHBondContact O-CB 3.48Å; L241-A244 PolarHBondContact O-N 3.5Å; A242-A244 PolarHBondContact O-N 3.24Å; A244-S247 WeakPolarHBondContact O-CB 3.48Å; A244-S247 PolarHBondContact O-N 3.18Å; A244-Q248 PolarHBondContact O-N 3.21Å; A244-L307 HydrophobicContact CB-CD2 3.63Å
245Y96.9Very high93.8Very high17 Ų1749.3 Ų49.37%0.06727%0.27CS..Hα-helixtrans-73.2-35.6-177.6-81-103000112.9I213 Y223 Y226 L241 A242 S247 Q248 A249I213-Y245 HydrophobicContact CD1-CD1 4.01Å; I213-Y245 HydrophobicContact CD1-CE1 3.7Å; Y223-Y245 AromaticContact CD1-CD1 3.57Å; Y223-Y245 HydrophobicContact CD1-CD1 3.57Å; Y223-Y245 AromaticContact CD1-CE1 3.98Å; Y223-Y245 HydrophobicContact CD1-CE1 3.98Å; Y223-Y245 HydrophobicContact CE1-CD1 4.29Å; Y223-Y245 HydrophobicContact CE1-CE1 4.25Å; Y223-Y245 HydrophobicContact CG-CD1 4.44Å; Y226-Y245 AromaticContact CD1-CD1 3.36Å; Y226-Y245 HydrophobicContact CD1-CD1 3.36Å; Y226-Y245 AromaticContact CD1-CD2 3.71Å; Y226-Y245 HydrophobicContact CD1-CD2 3.71Å; Y226-Y245 AromaticContact CD1-CE1 3.63Å; Y226-Y245 HydrophobicContact CD1-CE1 3.63Å; Y226-Y245 AromaticContact CD1-CE2 3.93Å; Y226-Y245 HydrophobicContact CD1-CE2 3.93Å; Y226-Y245 AromaticContact CD1-CG 3.43Å; Y226-Y245 HydrophobicContact CD1-CG 3.43Å; Y226-Y245 VanDerWaalsContact CD1-CG 3.43Å; Y226-Y245 AromaticContact CD1-CZ 3.9Å; Y226-Y245 AromaticContact CE1-CD1 3.95Å; Y226-Y245 HydrophobicContact CE1-CD1 3.95Å; Y226-Y245 AromaticContact CE1-CD2 3.6Å; Y226-Y245 HydrophobicContact CE1-CD2 3.6Å; Y226-Y245 AromaticContact CE1-CE1 3.85Å; Y226-Y245 HydrophobicContact CE1-CE1 3.85Å; Y226-Y245 AromaticContact CE1-CE2 3.47Å; Y226-Y245 HydrophobicContact CE1-CE2 3.47Å; Y226-Y245 VanDerWaalsContact CE1-CE2 3.47Å; Y226-Y245 AromaticContact CE1-CG 3.85Å; Y226-Y245 HydrophobicContact CE1-CG 3.85Å; Y226-Y245 AromaticContact CE1-CZ 3.61Å; Y226-Y245 HydrophobicContact CG-CD1 4.02Å; Y226-Y245 HydrophobicContact CG-CE1 4.18Å; Y226-Y245 HydrophobicContact CG-CG 4.46Å; L241-Y245 HydrophobicContact CD2-CE2 4.45Å; L241-Y245 WeakPolarHBondContact O-CD2 3.35Å; L241-Y245 PolarHBondContact O-N 2.94Å; A242-Y245 PolarHBondContact O-N 2.67Å; Y245-S247 VanDerWaalsContact C-N 3.32Å; Y245-S247 PolarHBondContact O-N 3.11Å; Y245-Q248 PolarHBondContact O-N 2.83Å; Y245-A249 WeakPolarHBondContact O-CB 3.29Å; Y245-A249 PolarHBondContact O-N 3.31Å
246Y97.6Very high93.8Very high8 Ų847.8 Ų47.83%0.03125%0.25CC..Hα-helixtrans-63-39.7169-78.7-53.6000111.8Q224 A227 E228 A242 Q248 A249 C250 G262 T266Q224-Y246 HydrophobicContact CG-CE1 4.38Å; A227-Y246 HydrophobicContact CB-CD1 3.61Å; A227-Y246 HydrophobicContact CB-CD2 3.67Å; A227-Y246 HydrophobicContact CB-CE1 3.69Å; A227-Y246 HydrophobicContact CB-CE2 3.74Å; A227-Y246 HydrophobicContact CB-CG 3.59Å; E228-Y246 WeakPolarHBondContact CA-OH 3.26Å; E228-Y246 HydrophobicContact CG-CE1 4.16Å; E228-Y246 WeakPolarHBondContact CG-OH 3.37Å; A242-Y246 HydrophobicContact CB-CD2 4.4Å; A242-Y246 HydrophobicContact CB-CE2 4.33Å; A242-Y246 WeakPolarHBondContact O-CB 3.39Å; A242-Y246 WeakPolarHBondContact O-CD2 3.5Å; A242-Y246 PolarHBondContact O-N 2.59Å; Y246-Q248 VanDerWaalsContact C-N 3.3Å; Y246-Q248 PolarHBondContact O-N 2.84Å; Y246-A249 PolarHBondContact O-N 3.47Å; Y246-C250 WeakPolarHBondContact O-CB 3.42Å; Y246-C250 PolarHBondContact O-N 3.38Å; Y246-C250 PolarHBondContact O-SG 2.87Å; Y246-G262 VanDerWaalsContact CD2-C 3.42Å; Y246-G262 VanDerWaalsContact CZ-CA 3.46Å; Y246-T266 WeakPolarHBondContact CE2-OG1 3.5Å
247S95.2Very high93.9Very high2 Ų245.8 Ų45.81%0.01424%0.235CC..Hα-helixtrans-60.9-42.3175.3-58.70000110.9R243 A244 Y245 C250 L251 L263 Y299R243-S247 VanDerWaalsContact O-CB 3.31Å; R243-S247 WeakPolarHBondContact O-CB 3.4Å; R243-S247 PolarHBondContact O-N 3.09Å; R243-S247 PolarHBondContact O-OG 3.28Å; A244-S247 WeakPolarHBondContact O-CB 3.48Å; A244-S247 PolarHBondContact O-N 3.18Å; Y245-S247 VanDerWaalsContact C-N 3.32Å; Y245-S247 PolarHBondContact O-N 3.11Å; S247-C250 PolarHBondContact O-N 3.46Å; S247-L251 PolarHBondContact O-N 3.43Å; S247-L263 WeakPolarHBondContact OG-CD1 3.48Å; S247-Y299 WeakPolarHBondContact CA-OH 3.47Å; S247-Y299 VanDerWaalsContact CB-OH 3.3Å; S247-Y299 WeakPolarHBondContact CB-OH 3.41Å; S247-Y299 PolarHBondContact O-OH 2.89Å
248Q95.2Very high94.1Very high52 Ų5244.8 Ų44.824%0.24323%0.225CC..Hα-helixtrans-66-42.2175.8-171.863.93.200112.1Y223 A244 Y245 Y246 C250 L251 L252 I309Y223-Q248 HydrophobicContact CD1-CB 3.95Å; Y223-Q248 HydrophobicContact CD1-CG 3.56Å; Y223-Q248 HydrophobicContact CE1-CB 4.42Å; Y223-Q248 HydrophobicContact CE1-CG 3.6Å; Y223-Q248 HydrophobicContact CG-CG 4.14Å; A244-Q248 PolarHBondContact O-N 3.21Å; Y245-Q248 PolarHBondContact O-N 2.83Å; Y246-Q248 VanDerWaalsContact C-N 3.3Å; Y246-Q248 PolarHBondContact O-N 2.84Å; Q248-C250 VanDerWaalsContact C-N 3.31Å; Q248-C250 PolarHBondContact O-N 3.1Å; Q248-L251 WeakPolarHBondContact O-CB 3.22Å; Q248-L251 PolarHBondContact O-N 3.06Å; Q248-L251 VanDerWaalsContact O-N 3.14Å; Q248-L252 HydrophobicContact CG-CD1 4.43Å; Q248-L252 WeakPolarHBondContact O-CG 3.3Å; Q248-L252 PolarHBondContact O-N 3.18Å; Q248-I309 HydrophobicContact CB-CD1 4.3Å
249A95.1Very high94.2Very high0 Ų043.4 Ų43.40%022%0.217CC..Hα-helixtrans-61.7-39.2175.600000112Q224 Y245 Y246 C253 S259Q224-A249 HydrophobicContact CB-CB 4.33Å; Y245-A249 WeakPolarHBondContact O-CB 3.29Å; Y245-A249 PolarHBondContact O-N 3.31Å; Y246-A249 PolarHBondContact O-N 3.47Å; A249-C253 PolarHBondContact O-N 3.32Å; A249-S259 VanDerWaalsContact CB-OG 3.27Å; A249-S259 WeakPolarHBondContact CB-OG 3.42Å
250C94.2Very high94.3Very high2 Ų242.2 Ų42.21%0.01421%0.211CC..Hα-helixtrans-69.6-30.9174.8-63.90000112.6Y246 S247 Q248 C253 P254 S259 L260 W358Y246-C250 WeakPolarHBondContact O-CB 3.42Å; Y246-C250 PolarHBondContact O-N 3.38Å; Y246-C250 PolarHBondContact O-SG 2.87Å; S247-C250 PolarHBondContact O-N 3.46Å; Q248-C250 VanDerWaalsContact C-N 3.31Å; Q248-C250 PolarHBondContact O-N 3.1Å; C250-C253 CarbonylContact O-C 3.28Å; C250-C253 VanDerWaalsContact O-C 3.28Å; C250-P254 WeakPolarHBondContact O-CA 3.29Å; C250-P254 VanDerWaalsContact O-N 3.14Å; C250-S259 VanDerWaalsContact SG-CB 3.59Å; C250-L260 HydrophobicContact CB-CD2 4.42Å; C250-W358 HydrophobicContact CB-CH2 4.03Å; C250-W358 HydrophobicContact CB-CZ3 4.18Å
251L93.4Very high94.5Very high94 Ų9440.2 Ų40.249%0.49220%0.2SC..Hα-helixtrans-69.4-43.9175-179.464.6000111.4S247 Q248 Y299S247-L251 PolarHBondContact O-N 3.43Å; Q248-L251 WeakPolarHBondContact O-CB 3.22Å; Q248-L251 PolarHBondContact O-N 3.06Å; Q248-L251 VanDerWaalsContact O-N 3.14Å; L251-Y299 HydrophobicContact CB-CE1 4.21Å; L251-Y299 HydrophobicContact CD1-CD1 4.22Å; L251-Y299 HydrophobicContact CD1-CE1 4Å
252L93.3Very high94.5Very high67 Ų6737.2 Ų37.235%0.35119%0.185SC..Hα-helixtrans-69.4-38.1178.2-69.1172.3000112.1H220 Y223 Q248H220-L252 HydrophobicContact CB-CB 3.68Å; H220-L252 HydrophobicContact CB-CD1 4.25Å; Y223-L252 HydrophobicContact CD2-CD1 3.58Å; Y223-L252 HydrophobicContact CE2-CD1 3.56Å; Y223-L252 HydrophobicContact CG-CD1 4.38Å; Q248-L252 HydrophobicContact CG-CD1 4.43Å; Q248-L252 WeakPolarHBondContact O-CG 3.3Å; Q248-L252 PolarHBondContact O-N 3.18Å
253C93.4Very high94.4Very high32 Ų3237.2 Ų37.222%0.21619%0.185CC..  trans-137.893.8176.4-1740000110.9H220 A249 C250 N255 N256H220-C253 HydrophobicContact CB-CB 3.93Å; H220-C253 VanDerWaalsContact CD2-CB 3.43Å; H220-C253 WeakPolarHBondContact CD2-CB 3.36Å; H220-C253 VanDerWaalsContact CG-CB 3.46Å; A249-C253 PolarHBondContact O-N 3.32Å; C250-C253 CarbonylContact O-C 3.28Å; C250-C253 VanDerWaalsContact O-C 3.28Å; C253-N255 PolarHBondContact O-N 3.11Å; C253-N256 HydrophobicContact CB-CB 4.08Å; C253-N256 VanDerWaalsContact O-CB 3.28Å; C253-N256 WeakPolarHBondContact O-CB 3.44Å; C253-N256 PolarHBondContact O-N 2.97Å
254P91.1Very high94.3Very high67 Ų6735.7 Ų35.744%0.43518%0.18SC..THydrogen-bonded Turntrans-61.3-24.5-178.9-27.336.1000114.6C250 N256C250-P254 WeakPolarHBondContact O-CA 3.29Å; C250-P254 VanDerWaalsContact O-N 3.14Å; P254-N256 VanDerWaalsContact C-N 3.32Å
255N89.5Confident94.2Very high125 Ų12538.8 Ų38.867%0.66820%0.195SC*.THydrogen-bonded Turntrans-89.95.8179.2-67.2-14.8000113.2C253 L257C253-N255 PolarHBondContact O-N 3.11Å; N255-L257 PolarHBondContact O-N 3.42Å
256N91.1Very high94Very high16 Ų1638 Ų389%0.08619%0.192CC..  trans-74.792.6177-174.6-10.7000110.9H220 Q224 C253 P254 R258 S259 L260H220-N256 PolarHBondContact ND1-ND2 3.46Å; H220-N256 VanDerWaalsContact ND1-ND2 3.11Å; Q224-N256 PolarHBondContact OE1-ND2 2.94Å; Q224-N256 PolarHBondContact OE1-OD1 2.94Å; C253-N256 HydrophobicContact CB-CB 4.08Å; C253-N256 VanDerWaalsContact O-CB 3.28Å; C253-N256 WeakPolarHBondContact O-CB 3.44Å; C253-N256 PolarHBondContact O-N 2.97Å; P254-N256 VanDerWaalsContact C-N 3.32Å; N256-R258 VanDerWaalsContact C-N 3.26Å; N256-R258 PolarHBondContact O-N 3.31Å; N256-R258 PolarHBondContact OD1-N 3.42Å; N256-S259 PolarHBondContact ND2-OG 3.16Å; N256-S259 PolarHBondContact O-N 3.48Å; N256-S259 PolarHBondContact OD1-N 3.04Å; N256-L260 WeakPolarHBondContact O-CG 3.44Å; N256-L260 PolarHBondContact O-N 3.18Å
257L93.4Very high93.7Very high50 Ų5037.7 Ų37.726%0.26219%0.191SC..Hα-helixtrans-58-38.2-177.9-167.568.4000112.6N255 L260 Y261 I363 I366 Y367N255-L257 PolarHBondContact O-N 3.42Å; L257-L260 PolarHBondContact O-N 3.02Å; L257-Y261 HydrophobicContact CD1-CD2 4.27Å; L257-Y261 HydrophobicContact CD1-CE2 3.83Å; L257-Y261 HydrophobicContact CD2-CE2 3.96Å; L257-Y261 HydrophobicContact CG-CD2 3.84Å; L257-Y261 HydrophobicContact CG-CE2 3.6Å; L257-Y261 VanDerWaalsContact O-CD2 3.22Å; L257-Y261 WeakPolarHBondContact O-CD2 3.41Å; L257-Y261 PolarHBondContact O-N 3.41Å; L257-I363 HydrophobicContact CD1-CB 4.37Å; L257-I363 HydrophobicContact CD1-CG1 4.03Å; L257-I363 HydrophobicContact CD1-CG2 4.08Å; L257-I366 HydrophobicContact CD1-CD1 4.26Å; L257-I366 HydrophobicContact CD1-CG2 4.47Å; L257-Y367 HydrophobicContact CD1-CE2 4.46Å
258R95.5Very high93.4Very high136 Ų13638.9 Ų38.951%0.51320%0.199SC..Hα-helixtrans-65-43.7-179.4-17760176.4162.13.4111.2Q224 E228 N256 Y261 G262Q224-R258 HydrophobicContact CG-CG 4.21Å; Q224-R258 VanDerWaalsContact NE2-CG 3.26Å; E228-R258 WeakPolarHBondContact OE1-CG 3.27Å; E228-R258 IonicContact OE1-CZ 3.44Å; E228-R258 IonicContact OE1-NE 3.96Å; E228-R258 PolarHBondContact OE1-NE 2.94Å; E228-R258 IonicContact OE1-NH2 3.5Å; E228-R258 PolarHBondContact OE1-NH2 3.42Å; E228-R258 VanDerWaalsContact OE1-NH2 3.15Å; N256-R258 VanDerWaalsContact C-N 3.26Å; N256-R258 PolarHBondContact O-N 3.31Å; N256-R258 PolarHBondContact OD1-N 3.42Å; R258-Y261 PolarHBondContact O-N 2.94Å; R258-G262 PolarHBondContact O-N 3.46Å
259S95.9Very high93.1Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-66-37.1174.2-66.40000113.3Q224 A249 C250 N256 G262 L263Q224-S259 WeakPolarHBondContact CB-OG 3.21Å; Q224-S259 WeakPolarHBondContact CG-OG 3.46Å; A249-S259 VanDerWaalsContact CB-OG 3.27Å; A249-S259 WeakPolarHBondContact CB-OG 3.42Å; C250-S259 VanDerWaalsContact SG-CB 3.59Å; N256-S259 PolarHBondContact ND2-OG 3.16Å; N256-S259 PolarHBondContact O-N 3.48Å; N256-S259 PolarHBondContact OD1-N 3.04Å; S259-G262 PolarHBondContact O-N 3.02Å; S259-L263 WeakPolarHBondContact O-CB 3.33Å; S259-L263 PolarHBondContact O-N 2.95Å
260L95.5Very high92.8Very high0 Ų039.3 Ų39.30%021%0.207CC..Hα-helixtrans-64.7-43.4176.2-70.9169.8000111.9C250 N256 L257 L263 L264 W358 A359 Q362 I363 I366C250-L260 HydrophobicContact CB-CD2 4.42Å; N256-L260 WeakPolarHBondContact O-CG 3.44Å; N256-L260 PolarHBondContact O-N 3.18Å; L257-L260 PolarHBondContact O-N 3.02Å; L260-L263 PolarHBondContact O-N 2.87Å; L260-L264 WeakPolarHBondContact O-CB 3.29Å; L260-L264 PolarHBondContact O-N 3.46Å; L260-W358 HydrophobicContact CD2-CH2 4.02Å; L260-W358 HydrophobicContact CD2-CZ3 3.72Å; L260-A359 HydrophobicContact CD2-CB 4.3Å; L260-Q362 HydrophobicContact CD1-CB 3.78Å; L260-Q362 HydrophobicContact CD2-CB 3.84Å; L260-Q362 HydrophobicContact CD2-CG 4.25Å; L260-Q362 HydrophobicContact CG-CB 4.48Å; L260-I363 HydrophobicContact CB-CD1 3.99Å; L260-I363 HydrophobicContact CB-CG1 3.69Å; L260-I363 HydrophobicContact CD1-CG1 4.11Å; L260-I366 HydrophobicContact CD1-CD1 3.5Å; L260-I366 VanDerWaalsContact CD1-CD1 3.5Å
261Y96.2Very high92.4Very high58 Ų5840.1 Ų40.123%0.22721%0.212CC..Hα-helixtrans-63.7-44173.1-83.2-65.2000111.6L257 R258 L263 L264 L265 L281 I363 Y367L257-Y261 HydrophobicContact CD1-CD2 4.27Å; L257-Y261 HydrophobicContact CD1-CE2 3.83Å; L257-Y261 HydrophobicContact CD2-CE2 3.96Å; L257-Y261 HydrophobicContact CG-CD2 3.84Å; L257-Y261 HydrophobicContact CG-CE2 3.6Å; L257-Y261 VanDerWaalsContact O-CD2 3.22Å; L257-Y261 WeakPolarHBondContact O-CD2 3.41Å; L257-Y261 PolarHBondContact O-N 3.41Å; R258-Y261 PolarHBondContact O-N 2.94Å; Y261-L263 VanDerWaalsContact C-N 3.33Å; Y261-L263 PolarHBondContact O-N 2.97Å; Y261-L264 PolarHBondContact O-N 3.38Å; Y261-L265 WeakPolarHBondContact O-CB 3.31Å; Y261-L265 VanDerWaalsContact O-CG 3.3Å; Y261-L265 WeakPolarHBondContact O-CG 3.32Å; Y261-L265 PolarHBondContact O-N 3.2Å; Y261-L281 HydrophobicContact CE1-CD1 3.9Å; Y261-I363 HydrophobicContact CD1-CD1 3.87Å; Y261-I363 HydrophobicContact CD2-CD1 4.46Å; Y261-I363 HydrophobicContact CE1-CD1 3.95Å; Y261-I363 HydrophobicContact CE1-CG2 4.43Å; Y261-I363 HydrophobicContact CE2-CG2 4.43Å; Y261-I363 HydrophobicContact CG-CD1 4.13Å; Y261-Y367 WeakPolarHBondContact OH-CE2 3.45Å; Y261-Y367 PolarHBondContact OH-OH 3.41Å; Y261-Y367 VanDerWaalsContact OH-OH 3.12Å
262G95.3Very high91.1Very high3 Ų342.4 Ų42.43%0.03122%0.224CC..Hα-helixtrans-56.1-47.3174.500000112.1Y246 R258 S259 L264 L265 T266Y246-G262 VanDerWaalsContact CD2-C 3.42Å; Y246-G262 VanDerWaalsContact CZ-CA 3.46Å; R258-G262 PolarHBondContact O-N 3.46Å; S259-G262 PolarHBondContact O-N 3.02Å; G262-L264 PolarHBondContact O-N 3.04Å; G262-L265 PolarHBondContact O-N 3.15Å; G262-T266 PolarHBondContact O-N 3.05Å; G262-T266 PolarHBondContact O-OG1 3.23Å
263L94.8Very high89.2Confident0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-60.2-44.9177.8-173.156.1000112.5R243 S247 S259 L260 Y261 T266 C267 L355 W358 A359R243-L263 HydrophobicContact CG-CD1 4Å; S247-L263 WeakPolarHBondContact OG-CD1 3.48Å; S259-L263 WeakPolarHBondContact O-CB 3.33Å; S259-L263 PolarHBondContact O-N 2.95Å; L260-L263 PolarHBondContact O-N 2.87Å; Y261-L263 VanDerWaalsContact C-N 3.33Å; Y261-L263 PolarHBondContact O-N 2.97Å; L263-T266 PolarHBondContact O-N 3.48Å; L263-C267 WeakPolarHBondContact O-CB 3.33Å; L263-C267 PolarHBondContact O-N 3.38Å; L263-C267 PolarHBondContact O-SG 3.42Å; L263-L355 HydrophobicContact CD1-CD2 3.72Å; L263-L355 HydrophobicContact CD1-CG 3.98Å; L263-L355 HydrophobicContact CD2-CD1 3.91Å; L263-L355 HydrophobicContact CD2-CD2 4.45Å; L263-L355 HydrophobicContact CD2-CG 3.92Å; L263-L355 HydrophobicContact CG-CD2 4.35Å; L263-L355 HydrophobicContact CG-CG 4.04Å; L263-W358 HydrophobicContact CD2-CE3 4.19Å; L263-W358 HydrophobicContact CD2-CZ3 3.91Å; L263-A359 HydrophobicContact CB-CB 4.48Å; L263-A359 HydrophobicContact CD2-CB 4.27Å; L263-A359 HydrophobicContact CG-CB 4.45Å
264L92.8Very high87.2Confident13 Ų1346.9 Ų46.97%0.06824%0.241CC..Hα-helixtrans-60.8-47.1176.7176.462000111.6L260 Y261 G262 C267 S268 M280 A356 A359 I363L260-L264 WeakPolarHBondContact O-CB 3.29Å; L260-L264 PolarHBondContact O-N 3.46Å; Y261-L264 PolarHBondContact O-N 3.38Å; G262-L264 PolarHBondContact O-N 3.04Å; L264-C267 PolarHBondContact O-N 3.36Å; L264-S268 WeakPolarHBondContact O-CB 3.06Å; L264-S268 PolarHBondContact O-N 2.8Å; L264-M280 HydrophobicContact CD2-SD 4.28Å; L264-A356 HydrophobicContact CD1-CB 3.8Å; L264-A359 HydrophobicContact CB-CB 4.41Å; L264-I363 HydrophobicContact CD2-CD1 4.42Å
265L92.5Very high84.8Confident73 Ų7348.5 Ų48.538%0.38225%0.254SS..Hα-helixtrans-62.3-46.4178.9-72172.4000111.2Y231 Y261 G262 S268 A269Y231-L265 HydrophobicContact CE2-CB 4.14Å; Y261-L265 WeakPolarHBondContact O-CB 3.31Å; Y261-L265 VanDerWaalsContact O-CG 3.3Å; Y261-L265 WeakPolarHBondContact O-CG 3.32Å; Y261-L265 PolarHBondContact O-N 3.2Å; G262-L265 PolarHBondContact O-N 3.15Å; L265-S268 WeakPolarHBondContact O-CB 3.41Å; L265-S268 PolarHBondContact O-N 3.12Å; L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.37Å
266T93.3Very high82.6Confident0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-65.2-41.9179.6-51.50000112.5Y231 L239 A242 R243 Y246 G262 L263 S268 A269 L270Y231-T266 HydrophobicContact CD2-CG2 4.31Å; Y231-T266 VanDerWaalsContact CD2-OG1 3.23Å; Y231-T266 WeakPolarHBondContact CD2-OG1 3.27Å; L239-T266 HydrophobicContact CB-CG2 4.25Å; L239-T266 HydrophobicContact CD2-CG2 4.26Å; L239-T266 WeakPolarHBondContact O-CG2 3.24Å; A242-T266 HydrophobicContact CB-CG2 4Å; R243-T266 HydrophobicContact CB-CG2 3.74Å; Y246-T266 WeakPolarHBondContact CE2-OG1 3.5Å; G262-T266 PolarHBondContact O-N 3.05Å; G262-T266 PolarHBondContact O-OG1 3.23Å; L263-T266 PolarHBondContact O-N 3.48Å; T266-S268 VanDerWaalsContact C-N 3.29Å; T266-S268 PolarHBondContact O-N 2.87Å; T266-A269 PolarHBondContact O-N 3.1Å; T266-L270 HydrophobicContact CG2-CD1 4.2Å; T266-L270 WeakPolarHBondContact O-CG 3.23Å; T266-L270 PolarHBondContact O-N 3.46Å
267C91.9Very high80.7Confident2 Ų249.6 Ų49.61%0.01426%0.257CS..Hα-helixtrans-62.9-38.3175.2-68.20000111.8L263 L264 D271 N352 A356L263-C267 WeakPolarHBondContact O-CB 3.33Å; L263-C267 PolarHBondContact O-N 3.38Å; L263-C267 PolarHBondContact O-SG 3.42Å; L264-C267 PolarHBondContact O-N 3.36Å; C267-D271 PolarHBondContact O-N 3.12Å; C267-N352 HydrophobicContact CB-CB 4.35Å; C267-A356 HydrophobicContact CB-CB 3.83Å
268S88.5Confident78.2Confident26 Ų2652.8 Ų52.818%0.18227%0.273CS..Hα-helixtrans-66.5-39175.2-175.90000112.2L264 L265 T266 L274L264-S268 WeakPolarHBondContact O-CB 3.06Å; L264-S268 PolarHBondContact O-N 2.8Å; L265-S268 WeakPolarHBondContact O-CB 3.41Å; L265-S268 PolarHBondContact O-N 3.12Å; T266-S268 VanDerWaalsContact C-N 3.29Å; T266-S268 PolarHBondContact O-N 2.87Å; S268-L274 WeakPolarHBondContact OG-CD2 3.29Å
269A89Confident76.2Confident32 Ų3252.7 Ų52.726%0.26428%0.276SS..Hα-helixtrans-66.6-42.1178.900000111.7Y231 L239 L265 T266 D271 N272Y231-A269 HydrophobicContact CE2-CB 4.4Å; L239-A269 HydrophobicContact CD1-CB 4.02Å; L239-A269 HydrophobicContact CD2-CB 4.24Å; L265-A269 WeakPolarHBondContact O-CB 3.45Å; L265-A269 PolarHBondContact O-N 3.37Å; T266-A269 PolarHBondContact O-N 3.1Å; A269-D271 VanDerWaalsContact C-N 3.28Å; A269-D271 PolarHBondContact O-N 2.96Å; A269-N272 PolarHBondContact O-N 3.2Å
270L88.2Confident73.7Confident29 Ų2956.9 Ų56.915%0.15230%0.297CS..Hα-helixtrans-68.4-21.3179-72.8168.3000114.3T236 L239 E240 R243 T266 N352T236-L270 HydrophobicContact CG2-CD2 4.21Å; L239-L270 HydrophobicContact CB-CD1 4.49Å; L239-L270 HydrophobicContact CB-CD2 3.58Å; L239-L270 HydrophobicContact CB-CG 3.94Å; L239-L270 HydrophobicContact CD1-CD2 4.37Å; E240-L270 HydrophobicContact CG-CD1 4.31Å; E240-L270 HydrophobicContact CG-CD2 3.93Å; R243-L270 HydrophobicContact CB-CD1 4.15Å; T266-L270 HydrophobicContact CG2-CD1 4.2Å; T266-L270 WeakPolarHBondContact O-CG 3.23Å; T266-L270 PolarHBondContact O-N 3.46Å; L270-N352 WeakPolarHBondContact CB-ND2 3.5Å
271D85.1Confident71Confident20 Ų2060.1 Ų60.111%0.10731%0.314CS..THydrogen-bonded Turntrans-85.1-3.7-179.3-171.837.9000113C267 A269 H273 L274 T349 R353C267-D271 PolarHBondContact O-N 3.12Å; A269-D271 VanDerWaalsContact C-N 3.28Å; A269-D271 PolarHBondContact O-N 2.96Å; D271-H273 PolarHBondContact O-N 3.32Å; D271-L274 WeakPolarHBondContact OD2-CD1 3.39Å; D271-T349 WeakPolarHBondContact OD1-CG2 3.44Å; D271-R353 IonicContact OD1-CZ 3.42Å; D271-R353 IonicContact OD1-NE 3.19Å; D271-R353 PolarHBondContact OD1-NE 3.22Å; D271-R353 IonicContact OD1-NH2 2.84Å; D271-R353 PolarHBondContact OD1-NH2 2.98Å; D271-R353 IonicContact OD2-CZ 3.02Å; D271-R353 IonicContact OD2-NE 3.64Å; D271-R353 PolarHBondContact OD2-NE 2.95Å; D271-R353 IonicContact OD2-NH1 2.7Å; D271-R353 PolarHBondContact OD2-NH1 3.49Å; D271-R353 IonicContact OD2-NH2 2.8Å; D271-R353 PolarHBondContact OD2-NH2 2.91Å
272N67.9Low68.3Low141 Ų14162.7 Ų62.775%0.75434%0.338SS*.SBendtrans49.1-2.1177-87.6-25.8000118.4A269A269-N272 PolarHBondContact O-N 3.2Å
273H51.7Low65.5Low161 Ų16168.1 Ų68.175%0.74537%0.365SS*.  trans-167.958.8173.6-103.2-75.9000110.4D271 S275D271-H273 PolarHBondContact O-N 3.32Å; H273-S275 PolarHBondContact O-N 3.11Å
274L51.1Low62.4Low33 Ų3374 Ų7417%0.17340%0.401CS..  trans-75.171.5167.7-163.978.3000108.5S268 D271 K276 S277S268-L274 WeakPolarHBondContact OG-CD2 3.29Å; D271-L274 WeakPolarHBondContact OD2-CD1 3.39Å; L274-K276 CarbonylContact O-C 3.26Å; L274-K276 VanDerWaalsContact O-C 3.26Å; L274-K276 VanDerWaalsContact O-CA 3.28Å; L274-K276 WeakPolarHBondContact O-CA 3.4Å; L274-K276 PolarHBondContact O-N 3.4Å; L274-S277 PolarHBondContact O-N 3.12Å
275S41.9Very low59.4Low101 Ų10179.6 Ų79.671%0.70644%0.437SS*.THydrogen-bonded Turntrans-53.7-6.5-175560000114.4H273 I278H273-S275 PolarHBondContact O-N 3.11Å; S275-I278 WeakPolarHBondContact O-CD1 3.41Å
276K43.7Very low56.4Low124 Ų12484.6 Ų84.654%0.53946%0.458SS..THydrogen-bonded Turntrans-14188.3148.9-71.1176.2177.2147.60115L274 I278 K279L274-K276 CarbonylContact O-C 3.26Å; L274-K276 VanDerWaalsContact O-C 3.26Å; L274-K276 VanDerWaalsContact O-CA 3.28Å; L274-K276 WeakPolarHBondContact O-CA 3.4Å; L274-K276 PolarHBondContact O-N 3.4Å; K276-I278 HydrophobicContact CB-CB 4.16Å; K276-I278 HydrophobicContact CG-CB 4.07Å; K276-K279 HydrophobicContact CD-CB 4.15Å; K276-K279 HydrophobicContact CD-CD 4.23Å; K276-K279 HydrophobicContact CD-CG 3.88Å
277S50Low53.3Low39 Ų3992.5 Ų92.527%0.27350%0.5SS..SBend-57.8-33.7127.842.40000107.7L274 K279 M280L274-S277 PolarHBondContact O-N 3.12Å; S277-K279 VanDerWaalsContact C-N 3.3Å; S277-K279 PolarHBondContact O-N 2.9Å; S277-M280 WeakPolarHBondContact O-CG 3.4Å; S277-M280 PolarHBondContact O-N 2.89Å
278I42Very low50.2Low117 Ų117101.3 Ų101.360%0.654%0.538SS*.THydrogen-bonded Turntrans-53.730177.6-46.7146.2000118.1S275 K276S275-I278 WeakPolarHBondContact O-CD1 3.41Å; K276-I278 HydrophobicContact CB-CB 4.16Å; K276-I278 HydrophobicContact CG-CB 4.07Å
279K51.9Low47.3Very low134 Ų134107.2 Ų107.258%0.58357%0.567SS**THydrogen-bonded Turntrans-114.418.9138.7-97.2-173.5176.6-166.70111.3K276 S277 L281 L283K276-K279 HydrophobicContact CD-CB 4.15Å; K276-K279 HydrophobicContact CD-CD 4.23Å; K276-K279 HydrophobicContact CD-CG 3.88Å; S277-K279 VanDerWaalsContact C-N 3.3Å; S277-K279 PolarHBondContact O-N 2.9Å; K279-L281 PolarHBondContact O-N 3.12Å; K279-L283 HydrophobicContact CD-CD1 4.35Å
280M44.8Very low44.4Very low88 Ų88113.8 Ų113.843%0.43359%0.592SS.*  trans-19.391.5169.4-65.7-63.6-106.400112.2L264 S277L264-M280 HydrophobicContact CD2-SD 4.28Å; S277-M280 WeakPolarHBondContact O-CG 3.4Å; S277-M280 PolarHBondContact O-N 2.89Å
281L39.4Very low41.5Very low68 Ų68119.4 Ų119.436%0.35662%0.622SS.*SBendtrans53.8122.8144.5-58.8148.7000117.2Y261 K279 I363Y261-L281 HydrophobicContact CE1-CD1 3.9Å; K279-L281 PolarHBondContact O-N 3.12Å; L281-I363 HydrophobicContact CD2-CG2 3.87Å
282P37.9Very low38.8Very low113 Ų113121.9 Ų121.973%0.73465%0.652SS**  cis-108.4151.6-24.734.8-21.3000112.3
283L36.9Very low37.1Very low116 Ų116119.8 Ų119.861%0.60765%0.646SS**  trans-88.5111.8165.6-72.1167.2000109.2K279 T285K279-L283 HydrophobicContact CD-CD1 4.35Å; L283-T285 PolarHBondContact O-N 3.21Å
284T29.5Very low36.1Very low123 Ų123116.8 Ų116.876%0.75564%0.643SS**  trans-51.2130.7169.646.50000110.3
285T30.8Very low35.5Very low132 Ų132122.5 Ų122.581%0.8168%0.679SS**SBendtrans28.8120.9166.127.20000117.7L283L283-T285 PolarHBondContact O-N 3.21Å
286E28.1Very low35.2Very low178 Ų178120.5 Ų120.583%0.83267%0.674SS**  trans107.978168.2-59.4-178.3-176.800114.6
287N28.4Very low34.9Very low165 Ų165120.6 Ų120.688%0.88268%0.681SS**  trans-140.286.3135.7-91.7-28.9000106.9
288K27.1Very low34.5Very low188 Ų188121.6 Ų121.682%0.81769%0.686SS**  trans-60.6136.3167.8-80.6174.7174.4171.50108.9
289L27.1Very low34.5Very low149 Ų149117.5 Ų117.578%0.7866%0.663SS**  trans54.2106.9161.2-87.276.5000116.1
290H28.3Very low34.1Very low170 Ų170113.4 Ų113.479%0.78765%0.651SS**  -166.5109.8112.6-103.965.1000109.2
291N27.8Very low34.1Very low148 Ų148112.5 Ų112.579%0.79165%0.653SS**  trans45.576.3151.5-56.6-13.3000116.3
292G27.5Very low34.4Very low71 Ų71111 Ų11173%0.73265%0.645SS**  trans-60.1130.3161.400000109.8S294G292-S294 PolarHBondContact O-N 3.38Å
293P32.5Very low34.8Very low97 Ų97107 Ų10763%0.6362%0.618SS**  trans-63.2128.7174.7-12.225.8000108.8V295 T298P293-V295 PolarHBondContact O-N 3.31Å; P293-T298 WeakPolarHBondContact CB-OG1 3.32Å
294S32.3Very low35.1Very low98 Ų98107.5 Ų107.569%0.68562%0.622SS**  trans-30.2121.5166.5168.80000112.4G292 G296G292-S294 PolarHBondContact O-N 3.38Å; S294-G296 PolarHBondContact O-N 2.98Å
295V37.3Very low35.6Very low153 Ų153106.7 Ų106.793%0.92761%0.613SS**THydrogen-bonded Turntrans-53.1103.3166.7179.20000107.2P293P293-V295 PolarHBondContact O-N 3.31Å
296G35.4Very low35.9Very low59 Ų59106.8 Ų106.861%0.60861%0.608SS**THydrogen-bonded Turntrans164.7-57.3175.500000115.9S294S294-G296 PolarHBondContact O-N 2.98Å
297N37.7Very low36.4Very low127 Ų127100.4 Ų100.468%0.67958%0.58SS**THydrogen-bonded Turntrans-135-2.4-157.6-75.9-17.2000117S300N297-S300 PolarHBondContact O-OG 3.39Å; N297-S300 VanDerWaalsContact O-OG 3.06Å
298T42.3Very low36.6Very low60 Ų6096 Ų9637%0.36857%0.573SS.*Hα-helixtrans-72.1-34.4-178.8-390000111.9P293 S301 I302P293-T298 WeakPolarHBondContact CB-OG1 3.32Å; T298-S301 PolarHBondContact O-N 2.83Å; T298-S301 PolarHBondContact O-OG 3.16Å; T298-I302 HydrophobicContact CG2-CD1 4.13Å; T298-I302 WeakPolarHBondContact O-CG1 3.31Å; T298-I302 PolarHBondContact O-N 3.32Å
299Y40.9Very low37.1Very low31 Ų3189.7 Ų89.712%0.12255%0.548CS..Hα-helixtrans-66.4-46.1-178.5-173-100.3000112.9S247 L251 S301 I302 V303 L355 W358S247-Y299 WeakPolarHBondContact CA-OH 3.47Å; S247-Y299 VanDerWaalsContact CB-OH 3.3Å; S247-Y299 WeakPolarHBondContact CB-OH 3.41Å; S247-Y299 PolarHBondContact O-OH 2.89Å; L251-Y299 HydrophobicContact CB-CE1 4.21Å; L251-Y299 HydrophobicContact CD1-CD1 4.22Å; L251-Y299 HydrophobicContact CD1-CE1 4Å; Y299-S301 VanDerWaalsContact C-N 3.26Å; Y299-S301 PolarHBondContact O-N 2.93Å; Y299-I302 PolarHBondContact O-N 3.25Å; Y299-V303 HydrophobicContact CD1-CG2 4.06Å; Y299-V303 HydrophobicContact CD2-CG2 4.4Å; Y299-V303 HydrophobicContact CE1-CG2 3.63Å; Y299-V303 HydrophobicContact CE2-CG2 4Å; Y299-V303 HydrophobicContact CG-CG2 4.43Å; Y299-V303 PolarHBondContact O-N 3.13Å; Y299-L355 HydrophobicContact CE2-CD1 3.92Å; Y299-W358 AromaticContact CD2-CD2 3.94Å; Y299-W358 HydrophobicContact CD2-CD2 3.94Å; Y299-W358 AromaticContact CD2-CE2 3.71Å; Y299-W358 HydrophobicContact CD2-CE3 4.18Å; Y299-W358 HydrophobicContact CD2-CH2 4.06Å; Y299-W358 AromaticContact CD2-CZ2 3.79Å; Y299-W358 HydrophobicContact CD2-CZ2 3.79Å; Y299-W358 HydrophobicContact CD2-CZ3 4.24Å; Y299-W358 HydrophobicContact CE2-CD2 4.26Å; Y299-W358 HydrophobicContact CE2-CE3 4.02Å; Y299-W358 AromaticContact CE2-CH2 3.86Å; Y299-W358 HydrophobicContact CE2-CH2 3.86Å; Y299-W358 HydrophobicContact CE2-CZ2 4.08Å; Y299-W358 AromaticContact CE2-CZ3 3.82Å; Y299-W358 HydrophobicContact CE2-CZ3 3.82Å; Y299-W358 HydrophobicContact CG-CZ2 4.36Å
300S44Very low37.5Very low48 Ų4886.5 Ų86.534%0.33653%0.532SS..Hα-helixtrans-59.2-38.6176.548.30000111.4N297 I302 V303 N304N297-S300 PolarHBondContact O-OG 3.39Å; N297-S300 VanDerWaalsContact O-OG 3.06Å; S300-I302 PolarHBondContact O-N 2.85Å; S300-V303 PolarHBondContact O-N 3.41Å; S300-N304 WeakPolarHBondContact O-CB 3.33Å; S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.41Å; S300-N304 PolarHBondContact O-OD1 2.74Å
301S44.1Very low38.2Very low68 Ų6883.1 Ų83.148%0.47652%0.523SS..Hα-helixtrans-65.7-32.4174.5670000114.4T298 Y299T298-S301 PolarHBondContact O-N 2.83Å; T298-S301 PolarHBondContact O-OG 3.16Å; Y299-S301 VanDerWaalsContact C-N 3.26Å; Y299-S301 PolarHBondContact O-N 2.93Å
302I47.4Very low38.5Very low36 Ų3680.9 Ų80.919%0.18551%0.511CS..Hα-helixtrans-77.6-34.7-179.8-66.2164.7000110.9T298 Y299 S300T298-I302 HydrophobicContact CG2-CD1 4.13Å; T298-I302 WeakPolarHBondContact O-CG1 3.31Å; T298-I302 PolarHBondContact O-N 3.32Å; Y299-I302 PolarHBondContact O-N 3.25Å; S300-I302 PolarHBondContact O-N 2.85Å
303V46Very low39Very low29 Ų2983.6 Ų83.618%0.17650%0.504CS..Hα-helixtrans-85.9-39.9-174.8168.50000113Y299 S300 D305 N306 L307Y299-V303 HydrophobicContact CD1-CG2 4.06Å; Y299-V303 HydrophobicContact CD2-CG2 4.4Å; Y299-V303 HydrophobicContact CE1-CG2 3.63Å; Y299-V303 HydrophobicContact CE2-CG2 4Å; Y299-V303 HydrophobicContact CG-CG2 4.43Å; Y299-V303 PolarHBondContact O-N 3.13Å; S300-V303 PolarHBondContact O-N 3.41Å; V303-D305 PolarHBondContact O-N 2.98Å; V303-N306 PolarHBondContact O-N 2.67Å; V303-L307 HydrophobicContact CG1-CB 4.5Å; V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 HydrophobicContact CG2-CD1 4.36Å
304N43.4Very low39.4Very low128 Ų12880.9 Ų80.968%0.68448%0.483SS*.THydrogen-bonded Turntrans-57.5-26.4-173.4-78.4-6000113.2S300S300-N304 WeakPolarHBondContact O-CB 3.33Å; S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.41Å; S300-N304 PolarHBondContact O-OD1 2.74Å
305D39.8Very low39.4Very low106 Ų10679.6 Ų79.657%0.56747%0.474SS*.THydrogen-bonded Turntrans-84.9-5.6-170.5-87-1.2000116V303V303-D305 PolarHBondContact O-N 2.98Å
306N35.8Very low39Very low133 Ų13379 Ų7971%0.71147%0.466SS*.THydrogen-bonded Turntrans-172.414.4173.4-100.9-51.8000119V303 G308V303-N306 PolarHBondContact O-N 2.67Å; N306-G308 VanDerWaalsContact C-N 3.27Å; N306-G308 PolarHBondContact O-N 3.21Å
307L38.6Very low38.8Very low45 Ų4582.5 Ų82.524%0.23647%0.466CS..  trans-8778.5171.3-74.8170.7000109.1A244 V303 I309A244-L307 HydrophobicContact CB-CD2 3.63Å; V303-L307 HydrophobicContact CG1-CB 4.5Å; V303-L307 HydrophobicContact CG1-CD1 4.02Å; V303-L307 HydrophobicContact CG2-CD1 4.36Å; L307-I309 PolarHBondContact O-N 3.01Å
308G32.8Very low38.4Very low72 Ų7280.6 Ų80.674%0.74246%0.463SS*.  trans-63.959.6168.200000111.5N306 N310N306-G308 VanDerWaalsContact C-N 3.27Å; N306-G308 PolarHBondContact O-N 3.21Å; G308-N310 PolarHBondContact O-N 3.14Å
309I38.9Very low37.8Very low56 Ų5683.1 Ų83.129%0.28748%0.483SS..  trans-6774155.7-52.6178.2000104.4Q248 L307 V311Q248-I309 HydrophobicContact CB-CD1 4.3Å; L307-I309 PolarHBondContact O-N 3.01Å; I309-V311 VanDerWaalsContact C-N 3.26Å; I309-V311 HydrophobicContact CG2-CG2 4.38Å; I309-V311 PolarHBondContact O-N 3.32Å
310N35.7Very low37.2Very low82 Ų8290.7 Ų90.744%0.43951%0.511SS..  trans-62.6103.7160.6-171.62.9000103.7G308 N312 H313G308-N310 PolarHBondContact O-N 3.14Å; N310-N312 PolarHBondContact O-N 2.62Å; N310-N312 WeakPolarHBondContact OD1-CA 3.49Å; N310-N312 WeakPolarHBondContact OD1-CB 3.25Å; N310-N312 VanDerWaalsContact OD1-CG 3.25Å; N310-N312 PolarHBondContact OD1-N 3.31Å; N310-N312 PolarHBondContact OD1-ND2 2.9Å; N310-H313 WeakPolarHBondContact O-CB 3.39Å; N310-H313 PolarHBondContact O-N 2.67Å
311V41.2Very low36.4Very low98 Ų9895.7 Ų95.759%0.59453%0.533SS*.G310 helixtrans-56.8-16.8172.2-173.60000109.6I309 H313 H314I309-V311 VanDerWaalsContact C-N 3.26Å; I309-V311 HydrophobicContact CG2-CG2 4.38Å; I309-V311 PolarHBondContact O-N 3.32Å; V311-H313 VanDerWaalsContact C-N 3.3Å; V311-H313 PolarHBondContact O-N 2.73Å; V311-H314 WeakPolarHBondContact O-CB 3.48Å; V311-H314 PolarHBondContact O-CD2 3.28Å; V311-H314 VanDerWaalsContact O-CD2 3.31Å; V311-H314 PolarHBondContact O-N 3.32Å
312N35.9Very low35.5Very low101 Ų10197.3 Ų97.354%0.5455%0.545SS..G310 helixtrans-77.62.1168.8-47.2-56.2000115.2N310 H314 S315N310-N312 PolarHBondContact O-N 2.62Å; N310-N312 WeakPolarHBondContact OD1-CA 3.49Å; N310-N312 WeakPolarHBondContact OD1-CB 3.25Å; N310-N312 VanDerWaalsContact OD1-CG 3.25Å; N310-N312 PolarHBondContact OD1-N 3.31Å; N310-N312 PolarHBondContact OD1-ND2 2.9Å; N312-H314 PolarHBondContact O-N 3Å; N312-S315 WeakPolarHBondContact CA-OG 3.38Å; N312-S315 PolarHBondContact O-N 3.18Å; N312-S315 PolarHBondContact O-OG 2.94Å
313H37.4Very low34.4Very low129 Ų129102.9 Ų102.960%0.59757%0.573SS**G310 helixtrans-67.9-21.2165.4-128.5-54.3000111N310 V311 S315N310-H313 WeakPolarHBondContact O-CB 3.39Å; N310-H313 PolarHBondContact O-N 2.67Å; V311-H313 VanDerWaalsContact C-N 3.3Å; V311-H313 PolarHBondContact O-N 2.73Å; H313-S315 VanDerWaalsContact C-N 3.27Å; H313-S315 PolarHBondContact O-N 3.09Å
314H41Very low33.3Very low40 Ų40109.1 Ų109.119%0.18561%0.605CS.*G310 helixtrans-72.7-13.7171.4-61.6-61.9000113.7L214 V311 N312L214-H314 HydrophobicContact CD1-CB 4.4Å; L214-H314 HydrophobicContact CD2-CB 3.92Å; V311-H314 WeakPolarHBondContact O-CB 3.48Å; V311-H314 PolarHBondContact O-CD2 3.28Å; V311-H314 VanDerWaalsContact O-CD2 3.31Å; V311-H314 PolarHBondContact O-N 3.32Å; N312-H314 PolarHBondContact O-N 3Å
315S31.6Very low32.3Very low71 Ų71111.9 Ų111.950%0.49761%0.614SS.*G310 helixtrans-94.5-6.1178.246.80000114.9N312 H313N312-S315 WeakPolarHBondContact CA-OG 3.38Å; N312-S315 PolarHBondContact O-N 3.18Å; N312-S315 PolarHBondContact O-OG 2.94Å; H313-S315 VanDerWaalsContact C-N 3.27Å; H313-S315 PolarHBondContact O-N 3.09Å
316N29.5Very low31.5Very low141 Ų141114 Ų11475%0.75463%0.631SS**SBendtrans-11210.7-172.8-95.5-10.2000117
317Q30.7Very low30.9Very low132 Ų132112.9 Ų112.962%0.61763%0.633SS**  trans-109.919.2166.9-64.7-165.211.900113.8S319Q317-S319 PolarHBondContact O-N 3.24Å
318S30Very low30.4Very low86 Ų86116.8 Ų116.860%0.60166%0.661SS**  trans-74.358.6162.6-79.30000111.5R320S318-R320 PolarHBondContact O-N 3.22Å
319S28.7Very low30Very low113 Ų113123.2 Ų123.279%0.7967%0.669SS**  trans-74.362.414143.50000107.7Q317 L321Q317-S319 PolarHBondContact O-N 3.24Å; S319-L321 PolarHBondContact O-N 3.46Å
320R28.9Very low29.1Very low191 Ų191129.4 Ų129.472%0.72170%0.697SS**  trans-57.7104.7161.1-83.9-173.9169.7-138.8-4.2105.6S318 S322S318-R320 PolarHBondContact O-N 3.22Å; R320-S322 PolarHBondContact O-N 2.9Å
321L28Very low28.5Very low153 Ų153134.5 Ų134.580%0.80172%0.718SS**SBendtrans25.682.7161.2-66.9162.5000114.2S319S319-L321 PolarHBondContact O-N 3.46Å
322S24.4Very low27.6Very low102 Ų102138.6 Ų138.671%0.71373%0.73SS**  trans79136.8156.4-25.60000119.6R320R320-S322 PolarHBondContact O-N 2.9Å
323I24.8Very low26.9Very low153 Ų153141.9 Ų141.979%0.78575%0.746SS**  trans109.3104.3152.2-59.2166000118
324N22.9Very low26.1Very low159 Ų159140.3 Ų140.385%0.8575%0.749SS**  trans64128.8145.6-70.7-16.6000123.5
325Q22.1Very low25.3Very low187 Ų187143.3 Ų143.387%0.87478%0.775SS**  trans-63.8136.7177.8-59.9177.7-2400113.6
326V23Very low25Very low151 Ų151148.5 Ų148.592%0.91580%0.796SS**  trans-144.2126.7145-178.90000109.3
327S22.2Very low24.6Very low109 Ų109146.8 Ų146.876%0.76280%0.795SS**PPolyproline II helixtrans-71.2148.5-175.5-53.50000114.2
328P28.4Very low24.4Very low127 Ų127147 Ų14783%0.82581%0.805SS**PPolyproline II helixtrans-90.4135.5-175.917.1-1000113
329K23.8Very low24.2Very low206 Ų206149.7 Ų149.790%0.89682%0.818SS**PPolyproline II helixtrans-80.4123.9172.9-76.2-179176.3178.10110.7
330Q21.7Very low24Very low187 Ų187149.1 Ų149.187%0.87481%0.814SS**PPolyproline II helixtrans-64.2130.5170.5-70.9166.6-27.900110.9
331Q22.5Very low23.9Very low189 Ų189145 Ų14588%0.88381%0.812SS**  trans-126.7123.2162.6-78.2-172.7-18.300110.1
332H21.5Very low24.2Very low183 Ų183143.8 Ų143.885%0.84781%0.813SS**  trans-60.1136176.6-86.4-116000112.1
333I22.8Very low24.6Very low171 Ų171147.1 Ų147.188%0.87782%0.817SS**  trans-127115.5155.3-61.6178.5000107.6
334S20.4Very low25.3Very low95 Ų95144 Ų14466%0.66482%0.815SS**  trans-95.3139.9179.6450000111.8
335S23.7Very low26.9Very low103 Ų103141.5 Ų141.572%0.7281%0.81SS**  trans63.9106.8146.363.50000119.9
336L24.3Very low28.8Very low181 Ų181136.3 Ų136.395%0.94879%0.787SS**  -138120.4130-103.2111.4000109.9
337S22.8Very low31.3Very low104 Ų104131.6 Ų131.673%0.72776%0.761SS**  trans-95.2121.7179.251.10000110.6
338T26.3Very low33.7Very low136 Ų136130.4 Ų130.483%0.83475%0.753SS**  trans-139.8106.2153.724.70000107.9S340T338-S340 PolarHBondContact O-N 2.68Å
339V24.5Very low36.1Very low144 Ų144127 Ų12787%0.87373%0.73SS**  trans-73.6103.7-177.6177.10000108.7
340S25.7Very low38.9Very low101 Ų101120.8 Ų120.871%0.70671%0.707SS**  trans-97.1144.3154.1-68.40000108.1T338T338-S340 PolarHBondContact O-N 2.68Å
341P27.2Very low41.8Very low104 Ų104113.9 Ų113.968%0.67567%0.674SS**  trans-60.4149-17526.1-32.3000109.7Q343P341-Q343 PolarHBondContact O-N 3Å
342P32.5Very low44.7Very low127 Ų127105.6 Ų105.683%0.82564%0.635SS**  trans-63.6100.1-174.825.6-30.7000108.1A344P342-A344 PolarHBondContact O-N 2.98Å
343Q32.9Very low47.8Very low172 Ų172101.6 Ų101.680%0.80461%0.613SS**  trans-54.3113.6159-74.6-173-64.400104.3P341 S345P341-Q343 PolarHBondContact O-N 3Å; Q343-S345 VanDerWaalsContact C-N 3.35Å; Q343-S345 PolarHBondContact O-N 2.73Å
344A41.2Very low50.9Low88 Ų8897.3 Ų97.373%0.72759%0.589SS**  trans-51.7106179.100000106.8P342 L346P342-A344 PolarHBondContact O-N 2.98Å; A344-L346 PolarHBondContact O-N 2.85Å
345S55.1Low54.1Low107 Ų10793 Ų9375%0.74856%0.558SS**PPolyproline II helixtrans-61.7116.2-176.346.30000106.1Q343 S347Q343-S345 VanDerWaalsContact C-N 3.35Å; Q343-S345 PolarHBondContact O-N 2.73Å; S345-S347 PolarHBondContact O-N 3.46Å
346L62.7Low57.2Low77 Ų7788.4 Ų88.440%0.40353%0.527SS..PPolyproline II helixtrans-52.5136.4179.5-84.974.5000108.8A344 D350 K351A344-L346 PolarHBondContact O-N 2.85Å; L346-D350 HydrophobicContact CB-CB 4.29Å; L346-D350 HydrophobicContact CD2-CB 4.36Å; L346-K351 HydrophobicContact CB-CG 3.84Å; L346-K351 VanDerWaalsContact O-CE 3.32Å; L346-K351 WeakPolarHBondContact O-CE 3.49Å
347S75Confident60.3Low52 Ų5286.8 Ų86.836%0.36451%0.513SS..PPolyproline II helixtrans-56.7150.3174.475.30000109.8S345 T349 D350 K351S345-S347 PolarHBondContact O-N 3.46Å; S347-T349 PolarHBondContact O-N 3.42Å; S347-D350 WeakPolarHBondContact CB-OD2 3.25Å; S347-D350 PolarHBondContact O-N 2.83Å; S347-D350 WeakPolarHBondContact OG-CB 3.3Å; S347-D350 PolarHBondContact OG-N 3.38Å; S347-D350 PolarHBondContact OG-OD2 2.81Å; S347-K351 PolarHBondContact O-N 2.8Å
348S73.7Confident63.5Low85 Ų8584.4 Ų84.459%0.59449%0.488SS*.Hα-helixtrans-53.7-37.7176.852.40000111.5K351 N352S348-K351 PolarHBondContact O-N 2.95Å; S348-N352 PolarHBondContact O-N 2.94Å; S348-N352 PolarHBondContact O-ND2 2.83Å
349T78.5Confident66.6Low56 Ų5678 Ų7834%0.34445%0.448SS..Hα-helixtrans-59.9-47.1173.4-47.90000112.6D271 S347 K351 N352 R353D271-T349 WeakPolarHBondContact OD1-CG2 3.44Å; S347-T349 PolarHBondContact O-N 3.42Å; T349-K351 VanDerWaalsContact C-N 3.35Å; T349-K351 PolarHBondContact O-N 3.4Å; T349-N352 PolarHBondContact O-N 2.89Å; T349-R353 WeakPolarHBondContact O-CG 3.34Å; T349-R353 PolarHBondContact O-N 3.5Å
350D82.4Confident69.8Low75 Ų7572.6 Ų72.640%0.40142%0.419SS..Hα-helixtrans-65.5-39.1178.5-67.9-44.9000111.9L346 S347 R353 Q354L346-D350 HydrophobicContact CB-CB 4.29Å; L346-D350 HydrophobicContact CD2-CB 4.36Å; S347-D350 WeakPolarHBondContact CB-OD2 3.25Å; S347-D350 PolarHBondContact O-N 2.83Å; S347-D350 WeakPolarHBondContact OG-CB 3.3Å; S347-D350 PolarHBondContact OG-N 3.38Å; S347-D350 PolarHBondContact OG-OD2 2.81Å; D350-R353 PolarHBondContact O-N 3.31Å; D350-Q354 WeakPolarHBondContact O-CG 3.31Å; D350-Q354 PolarHBondContact O-N 3.45Å
351K81.1Confident72.9Confident42 Ų4272.4 Ų72.418%0.18341%0.407CS..Hα-helixtrans-60.1-46.1174.8-67.1-178.5-179.4-175.60111L346 S347 S348 T349 R353 Q354 L355L346-K351 HydrophobicContact CB-CG 3.84Å; L346-K351 VanDerWaalsContact O-CE 3.32Å; L346-K351 WeakPolarHBondContact O-CE 3.49Å; S347-K351 PolarHBondContact O-N 2.8Å; S348-K351 PolarHBondContact O-N 2.95Å; T349-K351 VanDerWaalsContact C-N 3.35Å; T349-K351 PolarHBondContact O-N 3.4Å; K351-R353 PolarHBondContact O-N 3.49Å; K351-Q354 PolarHBondContact O-N 3.4Å; K351-L355 WeakPolarHBondContact O-CB 3.24Å; K351-L355 PolarHBondContact O-N 2.9Å
352N85.1Confident75.9Confident15 Ų1569.8 Ų69.88%0.0839%0.385CS..Hα-helixtrans-62.6-41.4177.2-71-19.1000112R243 C267 L270 S348 T349 Q354 L355 A356R243-N352 WeakPolarHBondContact CD-OD1 3.41Å; R243-N352 PolarHBondContact NE-OD1 3.45Å; C267-N352 HydrophobicContact CB-CB 4.35Å; L270-N352 WeakPolarHBondContact CB-ND2 3.5Å; S348-N352 PolarHBondContact O-N 2.94Å; S348-N352 PolarHBondContact O-ND2 2.83Å; T349-N352 PolarHBondContact O-N 2.89Å; N352-Q354 PolarHBondContact O-N 3.49Å; N352-L355 PolarHBondContact O-N 2.86Å; N352-A356 WeakPolarHBondContact O-CB 3.37Å; N352-A356 PolarHBondContact O-N 2.91Å
353R85.7Confident78.7Confident98 Ų9863.7 Ų63.737%0.3735%0.346SS..Hα-helixtrans-63.9-39.8176.6-71.5175-173.3-90.4-4.6112.5D271 T349 D350 K351 K357D271-R353 IonicContact OD1-CZ 3.42Å; D271-R353 IonicContact OD1-NE 3.19Å; D271-R353 PolarHBondContact OD1-NE 3.22Å; D271-R353 IonicContact OD1-NH2 2.84Å; D271-R353 PolarHBondContact OD1-NH2 2.98Å; D271-R353 IonicContact OD2-CZ 3.02Å; D271-R353 IonicContact OD2-NE 3.64Å; D271-R353 PolarHBondContact OD2-NE 2.95Å; D271-R353 IonicContact OD2-NH1 2.7Å; D271-R353 PolarHBondContact OD2-NH1 3.49Å; D271-R353 IonicContact OD2-NH2 2.8Å; D271-R353 PolarHBondContact OD2-NH2 2.91Å; T349-R353 WeakPolarHBondContact O-CG 3.34Å; T349-R353 PolarHBondContact O-N 3.5Å; D350-R353 PolarHBondContact O-N 3.31Å; K351-R353 PolarHBondContact O-N 3.49Å; R353-K357 VanDerWaalsContact O-CG 3.31Å; R353-K357 WeakPolarHBondContact O-CG 3.33Å; R353-K357 PolarHBondContact O-N 3.3Å; R353-K357 VanDerWaalsContact O-N 3.11Å
354Q87.3Confident81.4Confident81 Ų8161.4 Ų61.438%0.37933%0.33SS..Hα-helixtrans-68.8-41.9176.9-71.7-175.727.100112.1D350 K351 N352 K357 W358D350-Q354 WeakPolarHBondContact O-CG 3.31Å; D350-Q354 PolarHBondContact O-N 3.45Å; K351-Q354 PolarHBondContact O-N 3.4Å; N352-Q354 PolarHBondContact O-N 3.49Å; Q354-K357 PolarHBondContact O-N 3.42Å; Q354-W358 WeakPolarHBondContact O-CB 3.43Å; Q354-W358 PolarHBondContact O-N 3.33Å
355L87.9Confident83.8Confident4 Ų461.7 Ų61.72%0.02132%0.319CS..Hα-helixtrans-64.8-41.5178.5-166.657.8000111.8R243 L263 Y299 K351 N352 W358 A359R243-L355 HydrophobicContact CG-CD2 3.94Å; L263-L355 HydrophobicContact CD1-CD2 3.72Å; L263-L355 HydrophobicContact CD1-CG 3.98Å; L263-L355 HydrophobicContact CD2-CD1 3.91Å; L263-L355 HydrophobicContact CD2-CD2 4.45Å; L263-L355 HydrophobicContact CD2-CG 3.92Å; L263-L355 HydrophobicContact CG-CD2 4.35Å; L263-L355 HydrophobicContact CG-CG 4.04Å; Y299-L355 HydrophobicContact CE2-CD1 3.92Å; K351-L355 WeakPolarHBondContact O-CB 3.24Å; K351-L355 PolarHBondContact O-N 2.9Å; N352-L355 PolarHBondContact O-N 2.86Å; L355-W358 HydrophobicContact CD1-CE3 4.35Å; L355-W358 PolarHBondContact O-N 3.44Å; L355-A359 WeakPolarHBondContact O-CB 3.5Å; L355-A359 PolarHBondContact O-N 2.94Å
356A88.7Confident85.4Confident8 Ų858.4 Ų58.47%0.06629%0.292CS..Hα-helixtrans-60-46172.600000112.5L264 C267 N352 A359 A360L264-A356 HydrophobicContact CD1-CB 3.8Å; C267-A356 HydrophobicContact CB-CB 3.83Å; N352-A356 WeakPolarHBondContact O-CB 3.37Å; N352-A356 PolarHBondContact O-N 2.91Å; A356-A359 PolarHBondContact O-N 3.17Å; A356-A360 WeakPolarHBondContact O-CB 3.43Å; A356-A360 PolarHBondContact O-N 3.35Å
357K89.4Confident86.6Confident147 Ų14760.6 Ų60.664%0.63930%0.296SS*.Hα-helixtrans-61.6-44.4176.1-75.4174.5-178.4-179.60111.7R353 Q354 A360 E361R353-K357 VanDerWaalsContact O-CG 3.31Å; R353-K357 WeakPolarHBondContact O-CG 3.33Å; R353-K357 PolarHBondContact O-N 3.3Å; R353-K357 VanDerWaalsContact O-N 3.11Å; Q354-K357 PolarHBondContact O-N 3.42Å; K357-A360 PolarHBondContact O-N 2.94Å; K357-E361 PolarHBondContact O-N 3.07Å
358W90.9Very high87.3Confident54 Ų5463.8 Ų63.821%0.20531%0.307CS..Hα-helixtrans-58.9-49.8176.7174.685.1000111.2C250 L260 L263 Y299 Q354 L355 A360 E361 Q362C250-W358 HydrophobicContact CB-CH2 4.03Å; C250-W358 HydrophobicContact CB-CZ3 4.18Å; L260-W358 HydrophobicContact CD2-CH2 4.02Å; L260-W358 HydrophobicContact CD2-CZ3 3.72Å; L263-W358 HydrophobicContact CD2-CE3 4.19Å; L263-W358 HydrophobicContact CD2-CZ3 3.91Å; Y299-W358 AromaticContact CD2-CD2 3.94Å; Y299-W358 HydrophobicContact CD2-CD2 3.94Å; Y299-W358 AromaticContact CD2-CE2 3.71Å; Y299-W358 HydrophobicContact CD2-CE3 4.18Å; Y299-W358 HydrophobicContact CD2-CH2 4.06Å; Y299-W358 AromaticContact CD2-CZ2 3.79Å; Y299-W358 HydrophobicContact CD2-CZ2 3.79Å; Y299-W358 HydrophobicContact CD2-CZ3 4.24Å; Y299-W358 HydrophobicContact CE2-CD2 4.26Å; Y299-W358 HydrophobicContact CE2-CE3 4.02Å; Y299-W358 AromaticContact CE2-CH2 3.86Å; Y299-W358 HydrophobicContact CE2-CH2 3.86Å; Y299-W358 HydrophobicContact CE2-CZ2 4.08Å; Y299-W358 AromaticContact CE2-CZ3 3.82Å; Y299-W358 HydrophobicContact CE2-CZ3 3.82Å; Y299-W358 HydrophobicContact CG-CZ2 4.36Å; Q354-W358 WeakPolarHBondContact O-CB 3.43Å; Q354-W358 PolarHBondContact O-N 3.33Å; L355-W358 HydrophobicContact CD1-CE3 4.35Å; L355-W358 PolarHBondContact O-N 3.44Å; W358-A360 VanDerWaalsContact C-N 3.33Å; W358-A360 PolarHBondContact O-N 2.63Å; W358-E361 PolarHBondContact O-N 2.85Å; W358-Q362 HydrophobicContact CD2-CG 4.04Å; W358-Q362 HydrophobicContact CE3-CG 4.38Å; W358-Q362 HydrophobicContact CH2-CG 4.03Å; W358-Q362 HydrophobicContact CZ2-CG 3.66Å; W358-Q362 HydrophobicContact CZ3-CG 4.38Å; W358-Q362 WeakPolarHBondContact O-CG 3.39Å; W358-Q362 PolarHBondContact O-N 3.32Å
359A91.3Very high87.8Confident0 Ų063.5 Ų63.50%031%0.305CS..Hα-helixtrans-60-42.717900000111.9L260 L263 L264 L355 A356 E361 Q362 I363L260-A359 HydrophobicContact CD2-CB 4.3Å; L263-A359 HydrophobicContact CB-CB 4.48Å; L263-A359 HydrophobicContact CD2-CB 4.27Å; L263-A359 HydrophobicContact CG-CB 4.45Å; L264-A359 HydrophobicContact CB-CB 4.41Å; L355-A359 WeakPolarHBondContact O-CB 3.5Å; L355-A359 PolarHBondContact O-N 2.94Å; A356-A359 PolarHBondContact O-N 3.17Å; A359-E361 PolarHBondContact O-N 2.92Å; A359-Q362 PolarHBondContact O-N 3.03Å; A359-I363 VanDerWaalsContact O-CG1 3.26Å; A359-I363 WeakPolarHBondContact O-CG1 3.3Å; A359-I363 PolarHBondContact O-N 3.35Å
360A90.8Very high87.6Confident32 Ų3264.8 Ų64.826%0.26432%0.321SS..Hα-helixtrans-62.3-40.1176.900000112.9A356 K357 W358 R364A356-A360 WeakPolarHBondContact O-CB 3.43Å; A356-A360 PolarHBondContact O-N 3.35Å; K357-A360 PolarHBondContact O-N 2.94Å; W358-A360 VanDerWaalsContact C-N 3.33Å; W358-A360 PolarHBondContact O-N 2.63Å; A360-R364 PolarHBondContact O-N 3.06Å
361E91Very high86.6Confident96 Ų9664.1 Ų64.145%0.44933%0.332SS..Hα-helixtrans-68.6-38.4174.9-71.4-60.4160.700112K357 W358 A359 R364 L365K357-E361 PolarHBondContact O-N 3.07Å; W358-E361 PolarHBondContact O-N 2.85Å; A359-E361 PolarHBondContact O-N 2.92Å; E361-R364 WeakPolarHBondContact O-CB 3.08Å; E361-R364 PolarHBondContact O-N 2.9Å; E361-R364 IonicContact OE2-NH1 3.48Å; E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.44Å
362Q90.7Very high85.2Confident49 Ų4967 Ų6723%0.22935%0.353CS..Hα-helixtrans-61.8-45.7173.9-65-46.1-60.200111.6L260 W358 A359 R364 L365 I366L260-Q362 HydrophobicContact CD1-CB 3.78Å; L260-Q362 HydrophobicContact CD2-CB 3.84Å; L260-Q362 HydrophobicContact CD2-CG 4.25Å; L260-Q362 HydrophobicContact CG-CB 4.48Å; W358-Q362 HydrophobicContact CD2-CG 4.04Å; W358-Q362 HydrophobicContact CE3-CG 4.38Å; W358-Q362 HydrophobicContact CH2-CG 4.03Å; W358-Q362 HydrophobicContact CZ2-CG 3.66Å; W358-Q362 HydrophobicContact CZ3-CG 4.38Å; W358-Q362 WeakPolarHBondContact O-CG 3.39Å; W358-Q362 PolarHBondContact O-N 3.32Å; A359-Q362 PolarHBondContact O-N 3.03Å; Q362-R364 VanDerWaalsContact C-N 3.27Å; Q362-R364 PolarHBondContact O-N 2.92Å; Q362-L365 PolarHBondContact O-N 3.12Å; Q362-I366 WeakPolarHBondContact O-CG1 3.38Å; Q362-I366 PolarHBondContact O-N 3.33Å
363I91.1Very high83.1Confident0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-55.6-45.6174.9-69.3164.5000110.4L257 L260 Y261 L264 L281 A359 I366 Y367L257-I363 HydrophobicContact CD1-CB 4.37Å; L257-I363 HydrophobicContact CD1-CG1 4.03Å; L257-I363 HydrophobicContact CD1-CG2 4.08Å; L260-I363 HydrophobicContact CB-CD1 3.99Å; L260-I363 HydrophobicContact CB-CG1 3.69Å; L260-I363 HydrophobicContact CD1-CG1 4.11Å; Y261-I363 HydrophobicContact CD1-CD1 3.87Å; Y261-I363 HydrophobicContact CD2-CD1 4.46Å; Y261-I363 HydrophobicContact CE1-CD1 3.95Å; Y261-I363 HydrophobicContact CE1-CG2 4.43Å; Y261-I363 HydrophobicContact CE2-CG2 4.43Å; Y261-I363 HydrophobicContact CG-CD1 4.13Å; L264-I363 HydrophobicContact CD2-CD1 4.42Å; L281-I363 HydrophobicContact CD2-CG2 3.87Å; A359-I363 VanDerWaalsContact O-CG1 3.26Å; A359-I363 WeakPolarHBondContact O-CG1 3.3Å; A359-I363 PolarHBondContact O-N 3.35Å; I363-I366 PolarHBondContact O-N 3.48Å; I363-Y367 HydrophobicContact CG2-CD2 3.77Å; I363-Y367 HydrophobicContact CG2-CE2 3.52Å; I363-Y367 WeakPolarHBondContact O-CD2 3.49Å; I363-Y367 PolarHBondContact O-N 3.22Å; I363-Y367 VanDerWaalsContact O-N 3.12Å
364R90.5Very high81.1Confident123 Ų12373 Ų7346%0.46440%0.404SS..Hα-helixtrans-61.8-44.2178.3-173.2-176.4-178.5-177.22.1112.2A360 E361 Q362 I366 Y367 M368A360-R364 PolarHBondContact O-N 3.06Å; E361-R364 WeakPolarHBondContact O-CB 3.08Å; E361-R364 PolarHBondContact O-N 2.9Å; E361-R364 IonicContact OE2-NH1 3.48Å; Q362-R364 VanDerWaalsContact C-N 3.27Å; Q362-R364 PolarHBondContact O-N 2.92Å; R364-I366 VanDerWaalsContact C-N 3.34Å; R364-I366 PolarHBondContact O-N 3.46Å; R364-Y367 PolarHBondContact O-N 3.46Å; R364-M368 HydrophobicContact CG-SD 4.27Å; R364-M368 WeakPolarHBondContact O-CG 3.26Å; R364-M368 PolarHBondContact O-N 3.27Å
365L90.5Very high78.7Confident94 Ų9472.4 Ų72.449%0.49242%0.419SS..Hα-helixtrans-62.3-40.7178.1-71.2171.6000112E361 Q362 M368 S369E361-L365 WeakPolarHBondContact O-CG 3.49Å; E361-L365 PolarHBondContact O-N 3.44Å; Q362-L365 PolarHBondContact O-N 3.12Å; L365-M368 PolarHBondContact O-N 3.16Å; L365-S369 PolarHBondContact O-N 2.89Å; L365-S369 PolarHBondContact O-OG 3.29Å
366I89.1Confident76.1Confident38 Ų3880.3 Ų80.320%0.19546%0.461CS..Hα-helixtrans-62-44.1176.4-66.8165.9000111L257 L260 Q362 I363 R364 S369 A370L257-I366 HydrophobicContact CD1-CD1 4.26Å; L257-I366 HydrophobicContact CD1-CG2 4.47Å; L260-I366 HydrophobicContact CD1-CD1 3.5Å; L260-I366 VanDerWaalsContact CD1-CD1 3.5Å; Q362-I366 WeakPolarHBondContact O-CG1 3.38Å; Q362-I366 PolarHBondContact O-N 3.33Å; I363-I366 PolarHBondContact O-N 3.48Å; R364-I366 VanDerWaalsContact C-N 3.34Å; R364-I366 PolarHBondContact O-N 3.46Å; I366-S369 PolarHBondContact O-OG 2.89Å; I366-A370 PolarHBondContact O-N 2.81Å
367Y88.7Confident73.4Confident123 Ų12384.7 Ų84.748%0.48249%0.491SS..Hα-helixtrans-68.8-34.9176.7-75.3-61.3000113L257 Y261 I363 R364 G371L257-Y367 HydrophobicContact CD1-CE2 4.46Å; Y261-Y367 WeakPolarHBondContact OH-CE2 3.45Å; Y261-Y367 PolarHBondContact OH-OH 3.41Å; Y261-Y367 VanDerWaalsContact OH-OH 3.12Å; I363-Y367 HydrophobicContact CG2-CD2 3.77Å; I363-Y367 HydrophobicContact CG2-CE2 3.52Å; I363-Y367 WeakPolarHBondContact O-CD2 3.49Å; I363-Y367 PolarHBondContact O-N 3.22Å; I363-Y367 VanDerWaalsContact O-N 3.12Å; R364-Y367 PolarHBondContact O-N 3.46Å; Y367-G371 PolarHBondContact O-N 3.22Å
368M88.8Confident70.6Confident119 Ų11983.5 Ų83.559%0.58650%0.501SS*.Hα-helixtrans-67-38.9177.5-74.9-176.565.900112.3R364 L365 G371 T372R364-M368 HydrophobicContact CG-SD 4.27Å; R364-M368 WeakPolarHBondContact O-CG 3.26Å; R364-M368 PolarHBondContact O-N 3.27Å; L365-M368 PolarHBondContact O-N 3.16Å; M368-G371 PolarHBondContact O-N 3.33Å; M368-T372 PolarHBondContact O-OG1 3.23Å
369S84.1Confident67.6Low80 Ų8085.4 Ų85.456%0.55952%0.522SS*.Hα-helixtrans-69-33.4178.964.70000112.7L365 I366 G371 T372L365-S369 PolarHBondContact O-N 2.89Å; L365-S369 PolarHBondContact O-OG 3.29Å; I366-S369 PolarHBondContact O-OG 2.89Å; S369-G371 VanDerWaalsContact C-N 3.31Å; S369-G371 PolarHBondContact O-N 3.36Å; S369-T372 PolarHBondContact O-OG1 2.94Å
370A74Confident64.6Low82 Ų8291.6 Ų91.668%0.67857%0.566SS**Hα-helixtrans-67.8-27.2175.600000113.6I366I366-A370 PolarHBondContact O-N 2.81Å
371G62.2Low61.7Low61 Ų6195.8 Ų95.863%0.62959%0.588SS**Hα-helixtrans-81.7-20.7-179.600000114.9Y367 M368 S369 T373Y367-G371 PolarHBondContact O-N 3.22Å; M368-G371 PolarHBondContact O-N 3.33Å; S369-G371 VanDerWaalsContact C-N 3.31Å; S369-G371 PolarHBondContact O-N 3.36Å; G371-T373 PolarHBondContact O-N 3.19Å; G371-T373 VanDerWaalsContact O-N 3.08Å
372T51Low58.7Low103 Ų10397.5 Ų97.563%0.63261%0.605SS**  trans-80.382.2174.624.60000110.6M368 S369M368-T372 PolarHBondContact O-OG1 3.23Å; S369-T372 PolarHBondContact O-OG1 2.94Å
373T41.4Very low55.6Low118 Ų118101.2 Ų101.272%0.72464%0.635SS**  trans-56.8131.5158.750.80000108.2G371 G375G371-T373 PolarHBondContact O-N 3.19Å; G371-T373 VanDerWaalsContact O-N 3.08Å; T373-G375 PolarHBondContact O-N 2.76Å
374P43.6Very low52.7Low122 Ų122109 Ų10979%0.79268%0.675SS**  trans-59.1105.5179.4-17.728.8000108.9L376P374-L376 PolarHBondContact O-N 2.86Å
375G38.3Very low49.7Very low67 Ų67112.8 Ų112.869%0.69170%0.695SS**  trans-56.8123170.400000107.4T373 S377T373-G375 PolarHBondContact O-N 2.76Å; G375-S377 VanDerWaalsContact C-N 3.34Å; G375-S377 PolarHBondContact O-N 3.37Å
376L32.7Very low46.8Very low171 Ų171114.1 Ų114.190%0.89571%0.712SS**  trans-48.998.6175.4-79.679.9000109.1P374 S378P374-L376 PolarHBondContact O-N 2.86Å; L376-S378 PolarHBondContact O-N 3.49Å
377S31.3Very low44Very low100 Ų100118.5 Ų118.570%0.69974%0.741SS**  trans-67.8113158.556.60000106G375 S379G375-S377 VanDerWaalsContact C-N 3.34Å; G375-S377 PolarHBondContact O-N 3.37Å; S377-S379 PolarHBondContact O-N 2.98Å
378S30.6Very low41.1Very low121 Ų121121.8 Ų121.885%0.84676%0.758SS**  trans-46.497.5174.652.40000111.9L376L376-S378 PolarHBondContact O-N 3.49Å
379S29Very low38.1Very low95 Ų95122.3 Ų122.366%0.66477%0.772SS**  trans-133.1101.1167.2-56.30000107.1S377 T381S377-S379 PolarHBondContact O-N 2.98Å; S379-T381 PolarHBondContact O-N 2.95Å
380S27.6Very low35.4Very low130 Ų130126.4 Ų126.491%0.90978%0.781SS**  trans-54.3100.1178.7-57.40000111.9
381T28.7Very low33.2Very low119 Ų119132.2 Ų132.273%0.7379%0.791SS**  trans-139.799.2161.1-39.10000110.1S379 C383S379-T381 PolarHBondContact O-N 2.95Å; T381-C383 PolarHBondContact O-N 3.31Å
382T28.2Very low31.5Very low133 Ų133138.4 Ų138.482%0.81680%0.804SS**  trans1.794.9159.5-19.80000116.3I384T382-I384 PolarHBondContact O-N 3.42Å; T382-I384 VanDerWaalsContact O-N 3.17Å
383C26.5Very low30.3Very low127 Ų127142.4 Ų142.486%0.85882%0.816SS**  trans-65.2111.2166.9-74.50000110.5T381 K385T381-C383 PolarHBondContact O-N 3.31Å; C383-K385 PolarHBondContact O-N 3.48Å
384I30.3Very low29.7Very low163 Ų163142.2 Ų142.284%0.83682%0.819SS**  trans-68.6121.2166.8-63.2173000107.7T382 S386T382-I384 PolarHBondContact O-N 3.42Å; T382-I384 VanDerWaalsContact O-N 3.17Å; I384-S386 PolarHBondContact O-N 2.91Å; I384-S386 VanDerWaalsContact O-N 3.11Å
385K28.2Very low28.9Very low203 Ų203142.7 Ų142.788%0.88382%0.82SS**  trans-57.6108.6-179.2-73.5173.6175.9172.80110.9C383C383-K385 PolarHBondContact O-N 3.48Å
386S28.3Very low28.4Very low121 Ų121149 Ų14985%0.84683%0.828SS**  trans-78.4126.2164.1-173.10000109.9I384I384-S386 PolarHBondContact O-N 2.91Å; I384-S386 VanDerWaalsContact O-N 3.11Å
387T30.1Very low28.1Very low131 Ų131150.2 Ų150.280%0.80483%0.826SS**  trans-66.5133.2-175.930.70000113C389T387-C389 PolarHBondContact O-N 3.18Å
388K28.7Very low27.7Very low191 Ų191154.4 Ų154.483%0.8383%0.834SS**  trans-45.3113.2174.9-77.6172.1170175.70113.4
389C24.4Very low27.5Very low131 Ų131154.4 Ų154.489%0.88583%0.832SS**  trans-76.5117.7162.4-155.90000109.1T387T387-C389 PolarHBondContact O-N 3.18Å
390H28.1Very low27.3Very low165 Ų165153.5 Ų153.576%0.76484%0.837SS**  trans-72.6122.1179.9-93.855.6000110.7Q392H390-Q392 PolarHBondContact O-N 3.36Å
391K27.6Very low27Very low204 Ų204156.1 Ų156.189%0.88784%0.835SS**  trans-62.6113.3165.8-83.8177.8172177.80109.5
392Q27.5Very low27Very low192 Ų192158.1 Ų158.190%0.89784%0.839SS**PPolyproline II helixtrans-85.2119.6160.6-75.5-175.9-5.500108.9H390 S394H390-Q392 PolarHBondContact O-N 3.36Å; Q392-S394 PolarHBondContact O-N 3.02Å
393Q26.3Very low26.7Very low186 Ų186156 Ų15687%0.86983%0.83SS**PPolyproline II helixtrans-71.8116174.3-75.7166.2-25.100109.1
394S27.4Very low26.7Very low114 Ų114157.6 Ų157.680%0.79783%0.83SS**PPolyproline II helixtrans-84.7127.716779.20000109.9Q392 K396Q392-S394 PolarHBondContact O-N 3.02Å; S394-K396 PolarHBondContact O-N 3.47Å
395T26.9Very low26.3Very low132 Ų132156.4 Ų156.481%0.8183%0.825SS**  trans-80.7107.7-17641.60000109.8K397T395-K397 PolarHBondContact O-N 2.91Å
396K28.7Very low26.4Very low199 Ų199156.4 Ų156.487%0.86583%0.825SS**  trans-70.7108.5170.1-81.6-177.5174.2-178.90109.7S394S394-K396 PolarHBondContact O-N 3.47Å
397K26Very low26.2Very low197 Ų197156.7 Ų156.786%0.85782%0.817SS**  trans-76.2121.7165.6-83.2-178.7174.81780109.5T395T395-K397 PolarHBondContact O-N 2.91Å
398H21.9Very low26Very low188 Ų188157 Ų15787%0.8781%0.814SS**  trans-73.8141167.6-84.3-80000111.4
399P26.6Very low25.9Very low122 Ų122155.4 Ų155.479%0.79281%0.809SS**  trans-122.5123147.528.2-12.3000111.7
400G25.3Very low25.8Very low75 Ų75155.3 Ų155.377%0.77381%0.805SS**  76.388.3128.400000119
401H22.3Very low25.8Very low185 Ų185152 Ų15286%0.85681%0.806SS**  trans-46.8128.9154-102.2-98.6000113.2
402I26.8Very low25.5Very low162 Ų162151.3 Ų151.383%0.83181%0.808SS**  trans-133.2108.1144.3-61.7-177.8000107.4
403S23.1Very low25.5Very low89 Ų89148.1 Ų148.162%0.62280%0.802SS**  trans-83.7128.5174.8127.20000108.6
404N26.1Very low25.4Very low160 Ų160143.4 Ų143.486%0.85680%0.803SS**  trans-132.7101.5157-94.2-21.4000109.2
405N22.4Very low25.3Very low137 Ų137143.4 Ų143.473%0.73380%0.803SS**  trans-62.6134.7162.7-110.7-5000109.7
406K29.2Very low25.2Very low203 Ų203142.5 Ų142.588%0.88380%0.802SS**  trans-164.9111.8140.2-107.3168.6-171.5-177.10109.9
407D24.7Very low25.1Very low128 Ų128137.9 Ų137.968%0.68480%0.795SS**  trans-56.8140.3168.7-53.9-69.9000111.6
408N26.7Very low25.1Very low137 Ų137134 Ų13473%0.73379%0.793SS**  172.6127.6118.1-89-18.9000113.8
409H26.8Very low25.3Very low158 Ų158129.6 Ų129.673%0.73178%0.783SS**  trans65.3101142-65.9-61.5000122.2
410T22.4Very low25.2Very low128 Ų128129.1 Ų129.179%0.78578%0.783SS**  44103.5122.4-6.40000119.3
411A26.5Very low25.3Very low95 Ų95132.5 Ų132.579%0.78578%0.783SS**  trans-151.6118.8142.700000109.5T413A411-T413 PolarHBondContact O-N 3.44Å
412M21.7Very low25.3Very low190 Ų190128.9 Ų128.994%0.93678%0.778SS**  trans-70.9119.8173.4-72.2-168.9141.200110.1
413T27.7Very low25.1Very low126 Ų126126.3 Ų126.377%0.77377%0.774SS**  trans-140.1118.9154.852.70000107.8A411 S415A411-T413 PolarHBondContact O-N 3.44Å; T413-S415 PolarHBondContact O-N 2.96Å
414G24Very low25Very low87 Ų87127.8 Ų127.890%0.89778%0.783SS**  trans-61.5112.7-172.800000112.2
415S25.7Very low25Very low113 Ų113124.8 Ų124.879%0.7977%0.774SS**  trans-89.1105.7165.414.10000108.1T413 S417T413-S415 PolarHBondContact O-N 2.96Å; S415-S417 PolarHBondContact O-N 3.04Å
416S25.6Very low25Very low113 Ų113125.4 Ų125.479%0.7978%0.778SS**  trans-49.5118.3165.843.40000110.2S418S416-S418 PolarHBondContact O-N 3.33Å; S416-S418 VanDerWaalsContact O-N 3.08Å
417S26.3Very low24.9Very low103 Ų103121.2 Ų121.272%0.7277%0.769SS**  trans-55.4106.1173.450.70000110.8S415 S419S415-S417 PolarHBondContact O-N 3.04Å; S417-S419 VanDerWaalsContact C-N 3.32Å; S417-S419 PolarHBondContact O-N 3.41Å
418S26Very low24.9Very low116 Ų116122.4 Ų122.481%0.81178%0.775SS**  trans-71.588.9164.150.10000108.5S416 S420S416-S418 PolarHBondContact O-N 3.33Å; S416-S418 VanDerWaalsContact O-N 3.08Å; S418-S420 PolarHBondContact O-N 3.3Å; S418-S420 VanDerWaalsContact O-N 3.1Å
419S25.7Very low24.9Very low95 Ų95119.5 Ų119.566%0.66476%0.76SS**  trans-7199.8169.8-59.80000108.7S417 N421S417-S419 VanDerWaalsContact C-N 3.32Å; S417-S419 PolarHBondContact O-N 3.41Å; S419-N421 PolarHBondContact O-N 3.33Å
420S24.3Very low25Very low112 Ų112117.8 Ų117.878%0.78376%0.763SS**  trans-62.391.317046.90000110.2S418 S422S418-S420 PolarHBondContact O-N 3.3Å; S418-S420 VanDerWaalsContact O-N 3.1Å; S420-S422 PolarHBondContact O-N 2.98Å
421N27Very low25.2Very low145 Ų145116.3 Ų116.378%0.77575%0.75SS**  trans-83.995.7167.6-86.3-6.9000109.1S419 C423S419-N421 PolarHBondContact O-N 3.33Å; N421-C423 PolarHBondContact O-N 3.5Å; N421-C423 VanDerWaalsContact O-N 3.1Å
422S23.6Very low25.2Very low109 Ų109115.7 Ų115.776%0.76274%0.74SS**  trans-71.488.7165.3580000109.3S420S420-S422 PolarHBondContact O-N 2.98Å
423C22.6Very low25.6Very low109 Ų109110 Ų11074%0.73672%0.716SS**  trans-94.199.9164.6-77.40000108.2N421 S425N421-C423 PolarHBondContact O-N 3.5Å; N421-C423 VanDerWaalsContact O-N 3.1Å; C423-S425 PolarHBondContact O-N 3.49Å
424C20.5Very low25.7Very low120 Ų120106.8 Ų106.881%0.81170%0.696SS**  trans-64.594.3167.7-59.40000109.2
425S26.3Very low26.4Very low96 Ų96104.9 Ų104.967%0.67167%0.669SS**  trans-98.885.7160.8440000108C423 T427C423-S425 PolarHBondContact O-N 3.49Å; S425-T427 PolarHBondContact O-N 2.92Å
426N22.9Very low27.7Very low151 Ų15199.6 Ų99.681%0.80763%0.632SS**  trans-68.984.3159.6-78.50.6000107.1
427T26.1Very low29.1Very low115 Ų11598 Ų9871%0.70661%0.611SS**  trans-104.296.1155.853.60000105.1S425 N429S425-T427 PolarHBondContact O-N 2.92Å; T427-N429 VanDerWaalsContact C-N 3.28Å; T427-N429 PolarHBondContact O-N 3.34Å
428D24.1Very low30.1Very low152 Ų15295.2 Ų95.281%0.81359%0.588SS**  trans-53.9101.3163.2-66.9-42000105.9P430D428-P430 WeakPolarHBondContact O-CD 3.5Å
429N28.2Very low30.8Very low77 Ų7789.8 Ų89.841%0.41255%0.549SS..  trans-87.6101.6176.1178.912.9000106.5T427 N431 S432T427-N429 VanDerWaalsContact C-N 3.28Å; T427-N429 PolarHBondContact O-N 3.34Å; N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 VanDerWaalsContact O-N 3.1Å; N429-N431 PolarHBondContact OD1-N 2.91Å; N429-N431 VanDerWaalsContact OD1-N 3.08Å; N429-S432 PolarHBondContact O-N 3.04Å
430P28.3Very low31.7Very low121 Ų12185.2 Ų85.279%0.78652%0.518SS*.THydrogen-bonded Turntrans-67.1-8.1177.728-35.3000112.8D428D428-P430 WeakPolarHBondContact O-CD 3.5Å
431N27.2Very low32.5Very low98 Ų9880.8 Ų80.852%0.52449%0.485SS..THydrogen-bonded Turntrans-105.432.9171.2-67.3-20.4000111.7N429 V433N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 VanDerWaalsContact O-N 3.1Å; N429-N431 PolarHBondContact OD1-N 2.91Å; N429-N431 VanDerWaalsContact OD1-N 3.08Å; N431-V433 VanDerWaalsContact C-N 3.34Å; N431-V433 PolarHBondContact O-N 3.47Å
432S25.3Very low32.7Very low82 Ų8276 Ų7657%0.57346%0.461SS*.  trans-57.2105.9166.468.50000107N429 T434N429-S432 PolarHBondContact O-N 3.04Å; S432-T434 PolarHBondContact O-N 3.36Å
433V29.6Very low33.1Very low71 Ų7177.1 Ų77.143%0.4345%0.449SS..  trans-49.3108.4176.9179.30000106N190 N431 S435N190-V433 HydrophobicContact CB-CG1 4.39Å; N431-V433 VanDerWaalsContact C-N 3.34Å; N431-V433 PolarHBondContact O-N 3.47Å; V433-S435 PolarHBondContact O-N 3.43Å
434T30.5Very low33.7Very low58 Ų5872.2 Ų72.236%0.35642%0.416SS..  trans-54.7118.317536.10000105.9E187 S432 F436E187-T434 PolarHBondContact OE1-OG1 3.36Å; S432-T434 PolarHBondContact O-N 3.36Å; T434-F436 PolarHBondContact O-N 3.02Å
435S39.8Very low34.5Very low46 Ų4667.9 Ų67.932%0.32239%0.386SS..  trans-52140.7179142.30000108.3V433 K437 D438 A439V433-S435 PolarHBondContact O-N 3.43Å; S435-K437 PolarHBondContact O-N 3.34Å; S435-K437 PolarHBondContact OG-N 2.94Å; S435-D438 CarbonylContact O-C 3.23Å; S435-D438 WeakPolarHBondContact O-CA 3.37Å; S435-D438 WeakPolarHBondContact O-CB 3.44Å; S435-D438 PolarHBondContact O-N 3.48Å; S435-D438 PolarHBondContact OG-OD1 3.33Å; S435-A439 PolarHBondContact O-N 3.24Å
436F51.6Low34.7Very low2 Ų267.5 Ų67.51%0.00938%0.379CS..Hα-helixtrans-51.7-31.3179178.7-97.3000112.2K156 I159 L175 A188 E191 T434 V440K156-F436 HydrophobicContact CB-CE1 3.94Å; K156-F436 HydrophobicContact CB-CE2 4.25Å; K156-F436 HydrophobicContact CB-CZ 3.64Å; K156-F436 HydrophobicContact CD-CD2 4.23Å; K156-F436 HydrophobicContact CD-CE2 3.73Å; K156-F436 HydrophobicContact CD-CZ 4.02Å; K156-F436 HydrophobicContact CG-CE1 4.25Å; K156-F436 HydrophobicContact CG-CE2 3.65Å; K156-F436 HydrophobicContact CG-CZ 3.47Å; K156-F436 VanDerWaalsContact CG-CZ 3.47Å; K156-F436 WeakPolarHBondContact O-CE1 3.25Å; I159-F436 HydrophobicContact CB-CE1 4.24Å; I159-F436 HydrophobicContact CB-CZ 4.34Å; I159-F436 HydrophobicContact CD1-CZ 4.38Å; I159-F436 HydrophobicContact CG2-CE1 4.09Å; I159-F436 HydrophobicContact CG2-CZ 4.24Å; L175-F436 HydrophobicContact CD1-CE2 4.03Å; L175-F436 HydrophobicContact CD1-CZ 4.04Å; A188-F436 HydrophobicContact CB-CD2 4.41Å; A188-F436 HydrophobicContact CB-CE2 3.86Å; E191-F436 HydrophobicContact CB-CB 3.77Å; E191-F436 HydrophobicContact CB-CD1 4.47Å; E191-F436 HydrophobicContact CB-CD2 3.78Å; E191-F436 HydrophobicContact CB-CE2 4.44Å; E191-F436 HydrophobicContact CB-CG 3.79Å; E191-F436 VanDerWaalsContact CD-CB 3.48Å; E191-F436 HydrophobicContact CG-CB 3.72Å; E191-F436 HydrophobicContact CG-CD1 3.91Å; E191-F436 HydrophobicContact CG-CD2 4.13Å; E191-F436 HydrophobicContact CG-CE1 4.49Å; E191-F436 HydrophobicContact CG-CG 3.69Å; E191-F436 WeakPolarHBondContact OE2-CB 3.31Å; T434-F436 PolarHBondContact O-N 3.02Å; F436-V440 VanDerWaalsContact O-CG2 3.31Å; F436-V440 WeakPolarHBondContact O-CG2 3.4Å
437K54.8Low34.9Very low80 Ų8065.8 Ų65.835%0.34837%0.37SS..Hα-helixtrans-69.6-33.9174-54.6-173.8-178.4179.10112.9T160 S435T160-K437 HydrophobicContact CG2-CD 3.97Å; T160-K437 HydrophobicContact CG2-CG 3.79Å; S435-K437 PolarHBondContact O-N 3.34Å; S435-K437 PolarHBondContact OG-N 2.94Å
438D47.3Very low34.9Very low45 Ų4565.4 Ų65.424%0.24137%0.37CS..Hα-helixtrans-86-36.4-173.7-61.30.2000111.3R59 S435 V440 I441 V442R59-D438 IonicContact CZ-OD1 3.66Å; R59-D438 IonicContact NH1-OD1 2.51Å; R59-D438 PolarHBondContact NH1-OD1 3.22Å; R59-D438 IonicContact NH1-OD2 3.75Å; R59-D438 PolarHBondContact NH1-OD2 2.81Å; R59-D438 IonicContact NH2-OD1 3.43Å; S435-D438 CarbonylContact O-C 3.23Å; S435-D438 WeakPolarHBondContact O-CA 3.37Å; S435-D438 WeakPolarHBondContact O-CB 3.44Å; S435-D438 PolarHBondContact O-N 3.48Å; S435-D438 PolarHBondContact OG-OD1 3.33Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 3.48Å; D438-I441 WeakPolarHBondContact O-CA 3.3Å; D438-I441 WeakPolarHBondContact O-CB 3.42Å; D438-I441 PolarHBondContact O-N 3.15Å; D438-V442 PolarHBondContact O-N 3Å; D438-V442 VanDerWaalsContact O-N 3.16Å
439A41.6Very low35Very low1 Ų163.7 Ų63.71%0.00836%0.364CS..Hα-helixtrans-64.4-34.5177.300000112.8E187 S435 I441 V442 Y443E187-A439 HydrophobicContact CG-CB 4.39Å; E187-A439 WeakPolarHBondContact OE1-CB 3.49Å; E187-A439 WeakPolarHBondContact OE2-CB 3.36Å; S435-A439 PolarHBondContact O-N 3.24Å; A439-I441 PolarHBondContact O-N 2.9Å; A439-V442 PolarHBondContact O-N 2.95Å; A439-V442 VanDerWaalsContact O-N 3.13Å; A439-Y443 HydrophobicContact CB-CE2 4.22Å; A439-Y443 WeakPolarHBondContact O-CD2 3.48Å; A439-Y443 PolarHBondContact O-N 3.36Å
440V44.8Very low34.9Very low0 Ų065.4 Ų65.40%037%0.373CS..Hα-helixtrans-58.3-21.9172.3-179.10000111.8L153 K156 R157 F436 D438L153-V440 HydrophobicContact CB-CG1 4.28Å; L153-V440 HydrophobicContact CD2-CB 4.45Å; L153-V440 HydrophobicContact CD2-CG1 4.07Å; K156-V440 HydrophobicContact CB-CG2 3.46Å; K156-V440 VanDerWaalsContact CB-CG2 3.46Å; K156-V440 HydrophobicContact CD-CG2 3.6Å; K156-V440 HydrophobicContact CG-CG2 4.16Å; R157-V440 HydrophobicContact CG-CG1 3.93Å; F436-V440 VanDerWaalsContact O-CG2 3.31Å; F436-V440 WeakPolarHBondContact O-CG2 3.4Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 3.48Å
441I41Very low34.8Very low19 Ų1965.4 Ų65.410%0.09736%0.364CS..Hα-helixtrans-85.6-47.3175.7-54.3178.1000110.9I92 M126 R157 D438 A439 Y443 D444I92-I441 HydrophobicContact CB-CG2 4.18Å; I92-I441 HydrophobicContact CD1-CG2 3.6Å; I92-I441 HydrophobicContact CG1-CG2 3.92Å; I92-I441 HydrophobicContact CG2-CD1 4.35Å; I92-I441 HydrophobicContact CG2-CG2 3.22Å; M126-I441 HydrophobicContact CE-CG1 4.29Å; R157-I441 VanDerWaalsContact NH2-CG1 3.29Å; D438-I441 WeakPolarHBondContact O-CA 3.3Å; D438-I441 WeakPolarHBondContact O-CB 3.42Å; D438-I441 PolarHBondContact O-N 3.15Å; A439-I441 PolarHBondContact O-N 2.9Å; I441-Y443 VanDerWaalsContact C-N 3.35Å; I441-Y443 PolarHBondContact O-N 3.16Å; I441-D444 PolarHBondContact O-N 3.46Å
442V30.7Very low34.8Very low44 Ų4470 Ų7027%0.26737%0.374SS..Hα-helixtrans-61.2-41-174.1179.40000112.2D438 A439 D444 T445D438-V442 PolarHBondContact O-N 3Å; D438-V442 VanDerWaalsContact O-N 3.16Å; A439-V442 PolarHBondContact O-N 2.95Å; A439-V442 VanDerWaalsContact O-N 3.13Å; V442-D444 PolarHBondContact O-N 2.82Å; V442-T445 PolarHBondContact O-N 3.09Å; V442-T445 PolarHBondContact O-OG1 3.28Å; V442-T445 VanDerWaalsContact O-OG1 3.11Å
443Y32.3Very low34.8Very low133 Ų13371 Ų7152%0.52238%0.377SS..Hα-helixtrans-64.7-24.1-178-74.8-66.3000113.9A439 I441A439-Y443 HydrophobicContact CB-CE2 4.22Å; A439-Y443 WeakPolarHBondContact O-CD2 3.48Å; A439-Y443 PolarHBondContact O-N 3.36Å; I441-Y443 VanDerWaalsContact C-N 3.35Å; I441-Y443 PolarHBondContact O-N 3.16Å
444D35.9Very low34.7Very low5 Ų575.2 Ų75.23%0.02739%0.392CS..Hα-helixtrans-66.9-46177.5-70.4-36.3000111.3R119 R122 L153 I441 V442 V446R119-D444 PolarHBondContact NH1-O 3.12Å; R119-D444 VanDerWaalsContact NH2-C 3.34Å; R119-D444 PolarHBondContact NH2-O 2.92Å; R122-D444 VanDerWaalsContact CZ-CG 3.4Å; R122-D444 IonicContact CZ-OD1 2.71Å; R122-D444 IonicContact CZ-OD2 3.74Å; R122-D444 IonicContact NE-OD1 3.01Å; R122-D444 IonicContact NH1-OD1 3.91Å; R122-D444 IonicContact NH1-OD2 3.63Å; R122-D444 PolarHBondContact NH1-OD2 3.11Å; R122-D444 IonicContact NH2-OD1 3.21Å; R122-D444 PolarHBondContact NH2-OD1 2.96Å; R122-D444 IonicContact NH2-OD2 3.3Å; R122-D444 PolarHBondContact NH2-OD2 3.2Å; L153-D444 VanDerWaalsContact CD1-OD1 3.3Å; L153-D444 WeakPolarHBondContact CD1-OD1 3.41Å; I441-D444 PolarHBondContact O-N 3.46Å; V442-D444 PolarHBondContact O-N 2.82Å; D444-V446 PolarHBondContact O-N 3.35Å
445T35.4Very low34.4Very low29 Ų2979.2 Ų79.218%0.17841%0.411CS..Hα-helixtrans-72.9-14.7-168.746.90000114.5R54 V442R54-T445 HydrophobicContact CG-CG2 4.34Å; V442-T445 PolarHBondContact O-N 3.09Å; V442-T445 PolarHBondContact O-OG1 3.28Å; V442-T445 VanDerWaalsContact O-OG1 3.11Å
446V31.5Very low33.8Very low88 Ų8884.4 Ų84.453%0.53343%0.434SS..THydrogen-bonded Turntrans-93.4-10.3-170-176.50000114.2D444 P448D444-V446 PolarHBondContact O-N 3.35Å; V446-P448 VanDerWaalsContact C-CD 3.49Å; V446-P448 WeakPolarHBondContact O-CD 3.42Å
447N26.4Very low32.7Very low116 Ų11692.5 Ų92.562%0.6247%0.472SS*.  trans-109.284.4179.3-100.4-20.4000113.3V449N447-V449 VanDerWaalsContact C-N 3.26Å; N447-V449 PolarHBondContact O-N 2.95Å; N447-V449 VanDerWaalsContact O-N 3.09Å
448P26.9Very low31.4Very low107 Ų10797.6 Ų97.670%0.69550%0.497SS*.  trans-77.583.115932.5-28.7000107.8V446 D450V446-P448 VanDerWaalsContact C-CD 3.49Å; V446-P448 WeakPolarHBondContact O-CD 3.42Å; P448-D450 PolarHBondContact O-N 3.44Å
449V26.9Very low30.5Very low116 Ų116103.3 Ų103.370%0.70353%0.527SS*.  trans-63.6119.9166178.50000107N447 M451N447-V449 VanDerWaalsContact C-N 3.26Å; N447-V449 PolarHBondContact O-N 2.95Å; N447-V449 VanDerWaalsContact O-N 3.09Å; V449-M451 PolarHBondContact O-N 3.18Å
450D25Very low29.8Very low112 Ų112110 Ų11060%0.59956%0.563SS**  trans-3997.3-179.7-165.113000111P448 R452P448-D450 PolarHBondContact O-N 3.44Å; D450-R452 PolarHBondContact O-N 3.01Å; D450-R452 IonicContact OD2-CZ 3.67Å; D450-R452 IonicContact OD2-NE 2.95Å; D450-R452 PolarHBondContact OD2-NE 3Å; D450-R452 IonicContact OD2-NH2 3.64Å
451M26.4Very low28.8Very low121 Ų121118.2 Ų118.260%0.59660%0.601SS**  trans-73.872.1173.2-82.7-157.3-85.300108.5F114 V449 V453F114-M451 HydrophobicContact CE1-SD 4.14Å; F114-M451 HydrophobicContact CZ-CE 4.16Å; F114-M451 HydrophobicContact CZ-SD 4.12Å; V449-M451 PolarHBondContact O-N 3.18Å; M451-V453 PolarHBondContact O-N 3.32Å
452R26.4Very low28.1Very low194 Ų194122.2 Ų122.273%0.73263%0.631SS**  trans-66.5102.4163-73.8-175.9-172-171.1-3.5107.6D450 H454D450-R452 PolarHBondContact O-N 3.01Å; D450-R452 IonicContact OD2-CZ 3.67Å; D450-R452 IonicContact OD2-NE 2.95Å; D450-R452 PolarHBondContact OD2-NE 3Å; D450-R452 IonicContact OD2-NH2 3.64Å; R452-H454 VanDerWaalsContact C-N 3.34Å; R452-H454 PolarHBondContact O-N 3.24Å
453V27Very low28Very low105 Ų105128 Ų12864%0.63666%0.66SS**  trans-5898.8167.2-178.50000107M451 N455M451-V453 PolarHBondContact O-N 3.32Å; V453-N455 VanDerWaalsContact C-N 3.3Å; V453-N455 WeakPolarHBondContact CG1-OD1 3.43Å; V453-N455 PolarHBondContact O-N 3.45Å
454H26Very low27.9Very low159 Ų159128.4 Ų128.474%0.73668%0.676SS**  trans-67.8100.2158.3-83.8-77.3000106.2R452 L456R452-H454 VanDerWaalsContact C-N 3.34Å; R452-H454 PolarHBondContact O-N 3.24Å; H454-L456 HydrophobicContact CB-CG 4.3Å; H454-L456 PolarHBondContact O-N 3.41Å
455N24.9Very low27.6Very low141 Ų141136.5 Ų136.575%0.75471%0.714SS**  trans-6287.9160.6-74.9-22.1000106.7V453 E457V453-N455 VanDerWaalsContact C-N 3.3Å; V453-N455 WeakPolarHBondContact CG1-OD1 3.43Å; V453-N455 PolarHBondContact O-N 3.45Å; N455-E457 VanDerWaalsContact C-N 3.28Å; N455-E457 PolarHBondContact O-N 3.49Å
456L26.8Very low27.3Very low155 Ų155142.3 Ų142.381%0.81274%0.744SS**  trans-81.487.8165.7-68.5171.3000106H454H454-L456 HydrophobicContact CB-CG 4.3Å; H454-L456 PolarHBondContact O-N 3.41Å
457E28.6Very low27.2Very low173 Ų173145.2 Ų145.281%0.80876%0.756SS**  trans-61.1131.2157.9-73.5-180165.300107.9N455 N459N455-E457 VanDerWaalsContact C-N 3.28Å; N455-E457 PolarHBondContact O-N 3.49Å; E457-N459 PolarHBondContact O-N 3.03Å
458E27.3Very low27.4Very low186 Ų186146.4 Ų146.487%0.86976%0.758SS**  trans-42.4117.7179.5-64.6166.9157.700111.6
459N28.6Very low27.5Very low165 Ų165147.6 Ų147.688%0.88277%0.767SS**  trans-145.6122.3152.4-85.2-53.2000109.4E457E457-N459 PolarHBondContact O-N 3.03Å
460D26.2Very low27.6Very low143 Ų143149.6 Ų149.677%0.76577%0.769SS**  trans-59.8150.5176.8-78.1-50.9000113.2
461H25.2Very low27.7Very low171 Ų171152.2 Ų152.279%0.79278%0.777SS**  trans95.5129.8151.4-61.6-38000121.5
462S26.8Very low27.7Very low104 Ų104153.8 Ų153.873%0.72779%0.787SS**  trans76.7104.5154.154.90000119.8
463D26.9Very low27.8Very low165 Ų165151 Ų15188%0.88279%0.785SS**  trans14.5105135-54.3-32.9000116.9
464V32Very low27.9Very low141 Ų141151.2 Ų151.286%0.85579%0.79SS**  trans-135.4113.4153.5-178.40000107.9
465E28.2Very low28Very low176 Ų176149.9 Ų149.982%0.82279%0.788SS**  trans-60.8141.5172.9-67.8172.8147.200111.5
466D30.1Very low28.4Very low150 Ų150153.1 Ų153.180%0.80280%0.795SS**  trans31115.1146.6-64.4-25.3000119.1
467D28.9Very low28.5Very low149 Ų149153.9 Ų153.980%0.79779%0.792SS**  trans-156.6132.9137.8-112.4-33000114.8
468H29.6Very low28.9Very low142 Ų142152.4 Ų152.466%0.65780%0.795SS**  trans76.569.2154.8-76.554.2000119.9H470H468-H470 PolarHBondContact O-N 3.02Å
469C29.3Very low29Very low131 Ų131156.7 Ų156.789%0.88581%0.811SS**  trans-76.1112.1147.4-168.20000108.9Q471C469-Q471 PolarHBondContact O-N 3.02Å
470H29Very low29Very low158 Ų158156.3 Ų156.373%0.73181%0.808SS**  trans-62.895178.6-73.2-49.3000111.9H468 I472H468-H470 PolarHBondContact O-N 3.02Å; H470-I472 PolarHBondContact O-N 3.07Å; H470-I472 VanDerWaalsContact O-N 3.16Å
471Q27.3Very low29.2Very low167 Ų167157 Ų15778%0.7881%0.81SS**  trans-71.2103.1169.3-152.2157.525.100108.6C469 I473C469-Q471 PolarHBondContact O-N 3.02Å; Q471-I473 VanDerWaalsContact C-N 3.25Å; Q471-I473 HydrophobicContact CB-CG1 4.43Å; Q471-I473 HydrophobicContact CG-CG1 4.3Å; Q471-I473 PolarHBondContact O-N 2.86Å
472I27.1Very low29.4Very low155 Ų155156.2 Ų156.280%0.79581%0.811SS**  trans-69.189.8168.9-60.9175.9000106.7H470 C474H470-I472 PolarHBondContact O-N 3.07Å; H470-I472 VanDerWaalsContact O-N 3.16Å; I472-C474 PolarHBondContact O-N 2.92Å
473I27.8Very low29.6Very low134 Ų134159.3 Ų159.369%0.68782%0.816SS**  trans-75.2103.3172.9-62.9171.7000107Q471 D475Q471-I473 VanDerWaalsContact C-N 3.25Å; Q471-I473 HydrophobicContact CB-CG1 4.43Å; Q471-I473 HydrophobicContact CG-CG1 4.3Å; Q471-I473 PolarHBondContact O-N 2.86Å; I473-D475 PolarHBondContact O-N 3.19Å
474C28.6Very low29.7Very low111 Ų111158.9 Ų158.975%0.7581%0.812SS**  trans-64.2105.2167.6-62.50000108.8I472 K476I472-C474 PolarHBondContact O-N 2.92Å; C474-K476 PolarHBondContact O-N 3.04Å; C474-K476 VanDerWaalsContact O-N 3.16Å
475D29.1Very low29.6Very low131 Ų131160.1 Ų160.170%0.70181%0.809SS**  trans-63.4111.3-178-157.4-4.7000110.4I473 K477I473-D475 PolarHBondContact O-N 3.19Å; D475-K477 PolarHBondContact O-N 3.26Å
476K32.7Very low29.7Very low208 Ų208159 Ų15990%0.90481%0.808SS**  trans-74.174.6173.6-78.6-177.4177.11750109.6C474C474-K476 PolarHBondContact O-N 3.04Å; C474-K476 VanDerWaalsContact O-N 3.16Å
477K29.3Very low29.6Very low172 Ų172159.7 Ų159.775%0.74881%0.808SS**  trans-140.670.5168.5-80.1-171.8-178.61680113D475D475-K477 PolarHBondContact O-N 3.26Å
478T36.4Very low29.7Very low141 Ų141160.6 Ų160.687%0.86581%0.809SS**  trans-143.587.714528.10000107.4
479K30.2Very low29.7Very low277 Ų277162.3 Ų162.3100%1.20482%0.823SS**  trans-59.80143.2-78.1-177.6175.4-179.30108.4

Retrieved 479 of 479 residues in 575.5 ms (Link to these results)

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